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Force add NeuralPLexer's template PDBs
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‎forks/NeuralPLexer/neuralplexer/data/chemical/20AA_template_peptide.pdb‎

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HEADER 18-OCT-22
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TITLE ESMFOLD V1 PREDICTION FOR INPUT
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REMARK 1
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REMARK 1 REFERENCE 1
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REMARK 1 AUTH ZEMING LIN, HALIL AKIN, ROSHAN RAO, BRIAN HIE, ZHONGKAI ZHU,
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REMARK 1 AUTH 2 WENTING LU, NIKITA SMETANIN, ROBERT VERKUIL, ORI KABELI,
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REMARK 1 AUTH 3 YANIV SHMUELI, ALLAN DOS SANTOS COSTA,
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REMARK 1 AUTH 4 MARYAM FAZEL-ZARANDI, TOM SERCU, SALVATORE CANDIDO,
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REMARK 1 AUTH 5 ALEXANDER RIVES
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REMARK 1 TITL EVOLUTIONARY-SCALE PREDICTION OF ATOMIC LEVEL PROTEIN
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REMARK 1 TITL 2 STRUCTURE WITH A LANGUAGE MODEL
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REMARK 1 REF
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REMARK 1 REFN
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REMARK 1 PMID
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REMARK 1 DOI 10.1101/2022.07.20.500902
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REMARK 1
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REMARK 1 LICENSE AND DISCLAIMERS
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REMARK 1 ESM METAGENOMIC ATLAS DATA IS AVAILABLE UNDER
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REMARK 1 A CC-BY-4.0 LICENSE FOR ACADEMIC AND COMMERCIAL USE.
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REMARK 1 COPYRIGHT (C) META PLATFORMS, INC. ALL RIGHTS RESERVED.
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REMARK 1 USE OF THE ESM METAGENOMIC ATLAS DATA IS SUBJECT
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REMARK 1 TO THE META OPEN SOURCE TERMS OF USE AND PRIVACY POLICY.
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ATOM 1 N ALA A 1 -1.670 -7.378 10.112 1.00 0.56 N
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ATOM 2 CA ALA A 1 -0.600 -6.435 9.799 1.00 0.55 C
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ATOM 3 C ALA A 1 -0.467 -5.374 10.888 1.00 0.57 C
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ATOM 4 CB ALA A 1 -0.853 -5.774 8.446 1.00 0.52 C
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ATOM 5 O ALA A 1 -1.445 -4.709 11.239 1.00 0.55 O
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ATOM 6 N ARG A 2 0.292 -5.500 12.146 1.00 0.62 N
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ATOM 7 CA ARG A 2 0.421 -4.657 13.330 1.00 0.61 C
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ATOM 8 C ARG A 2 0.561 -3.188 12.944 1.00 0.62 C
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ATOM 9 CB ARG A 2 1.621 -5.094 14.173 1.00 0.58 C
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ATOM 10 O ARG A 2 1.519 -2.807 12.270 1.00 0.60 O
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ATOM 11 CG ARG A 2 1.836 -4.253 15.421 1.00 0.56 C
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ATOM 12 CD ARG A 2 3.029 -4.740 16.231 1.00 0.56 C
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ATOM 13 NE ARG A 2 3.017 -4.199 17.587 1.00 0.49 N
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ATOM 14 NH1 ARG A 2 5.124 -4.971 18.136 1.00 0.38 N
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ATOM 15 NH2 ARG A 2 3.896 -3.790 19.669 1.00 0.33 N
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ATOM 16 CZ ARG A 2 4.012 -4.322 18.461 1.00 0.55 C
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ATOM 17 N ASN A 3 -0.437 -2.382 12.444 1.00 0.60 N
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ATOM 18 CA ASN A 3 -0.632 -0.970 12.134 1.00 0.60 C
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ATOM 19 C ASN A 3 -0.016 -0.071 13.202 1.00 0.60 C
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ATOM 20 CB ASN A 3 -2.121 -0.657 11.971 1.00 0.56 C
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ATOM 21 O ASN A 3 -0.481 -0.047 14.343 1.00 0.58 O
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ATOM 22 CG ASN A 3 -2.695 -1.202 10.678 1.00 0.55 C
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ATOM 23 ND2 ASN A 3 -4.016 -1.320 10.618 1.00 0.53 N
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ATOM 24 OD1 ASN A 3 -1.956 -1.516 9.741 1.00 0.55 O
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ATOM 25 N ASP A 4 1.274 0.021 13.423 1.00 0.57 N
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ATOM 26 CA ASP A 4 2.172 1.003 14.023 1.00 0.57 C
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ATOM 27 C ASP A 4 1.607 2.415 13.894 1.00 0.58 C
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ATOM 28 CB ASP A 4 3.557 0.929 13.375 1.00 0.55 C
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ATOM 29 O ASP A 4 1.552 2.970 12.795 1.00 0.57 O
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ATOM 30 CG ASP A 4 3.557 0.167 12.062 1.00 0.55 C
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ATOM 31 OD1 ASP A 4 2.586 -0.569 11.783 1.00 0.55 O
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ATOM 32 OD2 ASP A 4 4.539 0.301 11.300 1.00 0.56 O
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ATOM 33 N CYS A 5 0.256 2.708 14.247 1.00 0.59 N
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ATOM 34 CA CYS A 5 -0.533 3.860 14.670 1.00 0.59 C
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ATOM 35 C CYS A 5 0.336 5.107 14.776 1.00 0.59 C
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ATOM 36 CB CYS A 5 -1.209 3.582 16.012 1.00 0.56 C
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ATOM 37 O CYS A 5 -0.124 6.152 15.241 1.00 0.58 O
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ATOM 38 SG CYS A 5 -1.228 1.835 16.470 1.00 0.56 S
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ATOM 39 N GLN A 6 1.254 5.296 13.796 1.00 0.59 N
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ATOM 40 CA GLN A 6 1.747 6.669 13.812 1.00 0.58 C
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ATOM 41 C GLN A 6 1.029 7.524 12.772 1.00 0.59 C
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ATOM 42 CB GLN A 6 3.256 6.701 13.566 1.00 0.56 C
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ATOM 43 O GLN A 6 0.710 7.046 11.681 1.00 0.57 O
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ATOM 44 CG GLN A 6 4.086 6.308 14.781 1.00 0.55 C
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ATOM 45 CD GLN A 6 5.575 6.284 14.491 1.00 0.56 C
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ATOM 46 NE2 GLN A 6 6.373 5.991 15.513 1.00 0.47 N
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ATOM 47 OE1 GLN A 6 6.005 6.525 13.359 1.00 0.57 O
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ATOM 48 N GLU A 7 0.211 8.541 13.186 1.00 0.61 N
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ATOM 49 CA GLU A 7 -0.316 9.705 12.480 1.00 0.61 C
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ATOM 50 C GLU A 7 0.397 9.912 11.147 1.00 0.61 C
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ATOM 51 CB GLU A 7 -0.187 10.962 13.345 1.00 0.56 C
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ATOM 52 O GLU A 7 1.626 10.003 11.101 1.00 0.58 O
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ATOM 53 CG GLU A 7 -0.985 12.149 12.827 1.00 0.54 C
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ATOM 54 CD GLU A 7 -0.902 13.369 13.731 1.00 0.56 C
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ATOM 55 OE1 GLU A 7 -0.258 13.288 14.802 1.00 0.54 O
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ATOM 56 OE2 GLU A 7 -1.486 14.414 13.367 1.00 0.48 O
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ATOM 57 N GLY A 8 -0.011 9.320 10.025 1.00 0.62 N
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ATOM 58 CA GLY A 8 0.256 9.579 8.619 1.00 0.61 C
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ATOM 59 C GLY A 8 0.720 8.349 7.863 1.00 0.62 C
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ATOM 60 O GLY A 8 1.049 8.429 6.678 1.00 0.60 O
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ATOM 61 N HIS A 9 0.589 7.093 8.240 1.00 0.60 N
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ATOM 62 CA HIS A 9 1.089 5.919 7.533 1.00 0.60 C
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ATOM 63 C HIS A 9 -0.056 5.013 7.091 1.00 0.60 C
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ATOM 64 CB HIS A 9 2.066 5.138 8.414 1.00 0.55 C
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ATOM 65 O HIS A 9 -0.684 4.350 7.919 1.00 0.57 O
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ATOM 66 CG HIS A 9 3.343 5.868 8.686 1.00 0.54 C
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ATOM 67 CD2 HIS A 9 3.795 7.065 8.242 1.00 0.53 C
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ATOM 68 ND1 HIS A 9 4.328 5.363 9.507 1.00 0.51 N
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ATOM 69 CE1 HIS A 9 5.333 6.221 9.557 1.00 0.48 C
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ATOM 70 NE2 HIS A 9 5.035 7.262 8.798 1.00 0.43 N
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ATOM 71 N ILE A 10 -0.948 5.551 6.156 1.00 0.65 N
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ATOM 72 CA ILE A 10 -1.786 4.506 5.579 1.00 0.64 C
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ATOM 73 C ILE A 10 -1.238 4.102 4.212 1.00 0.64 C
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ATOM 74 CB ILE A 10 -3.256 4.965 5.452 1.00 0.61 C
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ATOM 75 O ILE A 10 -1.049 4.950 3.336 1.00 0.61 O
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ATOM 76 CG1 ILE A 10 -3.784 5.444 6.809 1.00 0.55 C
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ATOM 77 CG2 ILE A 10 -4.127 3.838 4.892 1.00 0.56 C
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ATOM 78 CD1 ILE A 10 -5.171 4.920 7.154 1.00 0.55 C
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ATOM 79 N LEU A 11 -0.433 3.092 4.004 1.00 0.62 N
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ATOM 80 CA LEU A 11 0.013 2.300 2.863 1.00 0.61 C
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ATOM 81 C LEU A 11 -1.020 2.331 1.742 1.00 0.62 C
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ATOM 82 CB LEU A 11 0.281 0.854 3.287 1.00 0.59 C
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ATOM 83 O LEU A 11 -2.169 1.931 1.940 1.00 0.60 O
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ATOM 84 CG LEU A 11 1.484 0.627 4.203 1.00 0.57 C
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ATOM 85 CD1 LEU A 11 1.444 -0.779 4.793 1.00 0.55 C
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ATOM 86 CD2 LEU A 11 2.786 0.856 3.443 1.00 0.55 C
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ATOM 87 N LYS A 12 -0.950 3.372 0.786 1.00 0.66 N
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ATOM 88 CA LYS A 12 -1.589 3.550 -0.514 1.00 0.65 C
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ATOM 89 C LYS A 12 -1.379 2.328 -1.403 1.00 0.66 C
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ATOM 90 CB LYS A 12 -1.053 4.803 -1.210 1.00 0.62 C
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ATOM 91 O LYS A 12 -0.240 1.947 -1.684 1.00 0.63 O
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ATOM 92 CG LYS A 12 -1.358 6.098 -0.473 1.00 0.61 C
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ATOM 93 CD LYS A 12 -1.020 7.317 -1.321 1.00 0.59 C
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ATOM 94 CE LYS A 12 -1.187 8.611 -0.536 1.00 0.54 C
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ATOM 95 NZ LYS A 12 -0.898 9.811 -1.376 1.00 0.46 N
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ATOM 96 N MET A 13 -2.296 1.272 -1.465 1.00 0.65 N
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ATOM 97 CA MET A 13 -2.344 0.175 -2.427 1.00 0.64 C
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ATOM 98 C MET A 13 -2.899 0.650 -3.766 1.00 0.65 C
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ATOM 99 CB MET A 13 -3.193 -0.977 -1.888 1.00 0.61 C
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ATOM 100 O MET A 13 -3.887 1.384 -3.808 1.00 0.62 O
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ATOM 101 CG MET A 13 -2.648 -1.593 -0.610 1.00 0.59 C
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ATOM 102 SD MET A 13 -3.209 -3.324 -0.369 1.00 0.56 S
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ATOM 103 CE MET A 13 -4.949 -3.040 0.060 1.00 0.53 C
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ATOM 104 N PHE A 14 -2.006 0.639 -4.962 1.00 0.68 N
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ATOM 105 CA PHE A 14 -2.298 0.765 -6.385 1.00 0.67 C
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ATOM 106 C PHE A 14 -3.288 -0.304 -6.831 1.00 0.68 C
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ATOM 107 CB PHE A 14 -1.011 0.667 -7.210 1.00 0.65 C
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ATOM 108 O PHE A 14 -3.279 -1.422 -6.310 1.00 0.66 O
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ATOM 109 CG PHE A 14 -0.135 1.887 -7.116 1.00 0.64 C
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ATOM 110 CD1 PHE A 14 -0.449 3.041 -7.823 1.00 0.63 C
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ATOM 111 CD2 PHE A 14 1.003 1.879 -6.320 1.00 0.63 C
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ATOM 112 CE1 PHE A 14 0.360 4.172 -7.738 1.00 0.62 C
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ATOM 113 CE2 PHE A 14 1.816 3.006 -6.230 1.00 0.60 C
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ATOM 114 CZ PHE A 14 1.493 4.150 -6.941 1.00 0.63 C
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ATOM 115 N PRO A 15 -4.409 0.029 -7.509 1.00 0.69 N
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ATOM 116 CA PRO A 15 -5.414 -0.890 -8.049 1.00 0.67 C
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ATOM 117 C PRO A 15 -4.804 -2.179 -8.593 1.00 0.69 C
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ATOM 118 CB PRO A 15 -6.067 -0.079 -9.171 1.00 0.66 C
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ATOM 119 O PRO A 15 -3.776 -2.141 -9.274 1.00 0.66 O
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ATOM 120 CG PRO A 15 -5.389 1.253 -9.124 1.00 0.64 C
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ATOM 121 CD PRO A 15 -4.211 1.156 -8.197 1.00 0.63 C
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ATOM 122 N SER A 16 -4.944 -3.465 -8.076 1.00 0.68 N
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ATOM 123 CA SER A 16 -4.431 -4.782 -8.440 1.00 0.68 C
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ATOM 124 C SER A 16 -4.671 -5.080 -9.916 1.00 0.68 C
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ATOM 125 CB SER A 16 -5.080 -5.867 -7.580 1.00 0.65 C
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ATOM 126 O SER A 16 -4.031 -5.964 -10.488 1.00 0.69 O
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ATOM 127 OG SER A 16 -6.471 -5.951 -7.841 1.00 0.62 O
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ATOM 128 N THR A 17 -5.603 -4.552 -10.484 1.00 0.70 N
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ATOM 129 CA THR A 17 -5.932 -4.880 -11.866 1.00 0.68 C
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ATOM 130 C THR A 17 -4.834 -4.403 -12.812 1.00 0.69 C
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ATOM 131 CB THR A 17 -7.278 -4.258 -12.283 1.00 0.66 C
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ATOM 132 O THR A 17 -4.814 -4.776 -13.987 1.00 0.67 O
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ATOM 133 CG2 THR A 17 -8.430 -4.852 -11.480 1.00 0.62 C
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ATOM 134 OG1 THR A 17 -7.233 -2.844 -12.059 1.00 0.63 O
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ATOM 135 N TRP A 18 -3.961 -3.539 -12.286 1.00 0.67 N
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ATOM 136 CA TRP A 18 -2.831 -3.137 -13.116 1.00 0.69 C
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ATOM 137 C TRP A 18 -1.774 -4.235 -13.167 1.00 0.66 C
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ATOM 138 CB TRP A 18 -2.211 -1.839 -12.590 1.00 0.63 C
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ATOM 139 O TRP A 18 -0.883 -4.209 -14.019 1.00 0.64 O
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ATOM 140 CG TRP A 18 -3.043 -0.619 -12.847 1.00 0.59 C
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ATOM 141 CD1 TRP A 18 -4.352 -0.582 -13.241 1.00 0.53 C
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ATOM 142 CD2 TRP A 18 -2.620 0.743 -12.733 1.00 0.54 C
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ATOM 143 CE2 TRP A 18 -3.725 1.554 -13.072 1.00 0.53 C
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ATOM 144 CE3 TRP A 18 -1.412 1.357 -12.375 1.00 0.63 C
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ATOM 145 NE1 TRP A 18 -4.768 0.722 -13.378 1.00 0.62 N
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ATOM 146 CH2 TRP A 18 -2.465 3.524 -12.710 1.00 0.58 C
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ATOM 147 CZ2 TRP A 18 -3.658 2.950 -13.064 1.00 0.62 C
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ATOM 148 CZ3 TRP A 18 -1.347 2.746 -12.368 1.00 0.53 C
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ATOM 149 N TYR A 19 -1.742 -5.095 -12.150 1.00 0.64 N
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ATOM 150 CA TYR A 19 -0.725 -6.135 -12.259 1.00 0.64 C
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ATOM 151 C TYR A 19 -1.296 -7.390 -12.910 1.00 0.64 C
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ATOM 152 CB TYR A 19 -0.154 -6.476 -10.880 1.00 0.62 C
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ATOM 153 O TYR A 19 -2.167 -8.051 -12.340 1.00 0.65 O
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ATOM 154 CG TYR A 19 0.527 -5.313 -10.200 1.00 0.60 C
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ATOM 155 CD1 TYR A 19 1.860 -5.009 -10.467 1.00 0.58 C
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ATOM 156 CD2 TYR A 19 -0.160 -4.516 -9.291 1.00 0.58 C
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ATOM 157 CE1 TYR A 19 2.493 -3.939 -9.842 1.00 0.57 C
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ATOM 158 CE2 TYR A 19 0.462 -3.444 -8.660 1.00 0.55 C
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ATOM 159 OH TYR A 19 2.407 -2.103 -8.320 1.00 0.60 O
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ATOM 160 CZ TYR A 19 1.786 -3.164 -8.942 1.00 0.56 C
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ATOM 161 N VAL A 20 -2.060 -7.165 -13.824 1.00 0.65 N
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ATOM 162 CA VAL A 20 -2.336 -8.324 -14.666 1.00 0.66 C
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ATOM 163 C VAL A 20 -1.173 -8.552 -15.629 1.00 0.64 C
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ATOM 164 CB VAL A 20 -3.655 -8.154 -15.453 1.00 0.61 C
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ATOM 165 O VAL A 20 -0.527 -7.598 -16.069 1.00 0.63 O
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ATOM 166 CG1 VAL A 20 -4.137 -9.498 -15.997 1.00 0.53 C
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ATOM 167 CG2 VAL A 20 -4.725 -7.517 -14.569 1.00 0.54 C

‎forks/NeuralPLexer/neuralplexer/data/chemical/ALA.pdb‎

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ATOM 1 N ALA A 1 -1.670 -7.378 10.112 1.00 0.56 N
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ATOM 2 CA ALA A 1 -0.600 -6.435 9.799 1.00 0.55 C
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ATOM 3 C ALA A 1 -0.467 -5.374 10.888 1.00 0.57 C
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ATOM 4 CB ALA A 1 -0.853 -5.774 8.446 1.00 0.52 C
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ATOM 5 O ALA A 1 -1.445 -4.709 11.239 1.00 0.55 O

‎forks/NeuralPLexer/neuralplexer/data/chemical/ARG.pdb‎

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ATOM 6 N ARG A 2 0.292 -5.500 12.146 1.00 0.62 N
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ATOM 7 CA ARG A 2 0.421 -4.657 13.330 1.00 0.61 C
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ATOM 8 C ARG A 2 0.561 -3.188 12.944 1.00 0.62 C
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ATOM 9 CB ARG A 2 1.621 -5.094 14.173 1.00 0.58 C
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ATOM 10 O ARG A 2 1.519 -2.807 12.270 1.00 0.60 O
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ATOM 11 CG ARG A 2 1.836 -4.253 15.421 1.00 0.56 C
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ATOM 12 CD ARG A 2 3.029 -4.740 16.231 1.00 0.56 C
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ATOM 13 NE ARG A 2 3.017 -4.199 17.587 1.00 0.49 N
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ATOM 14 NH1 ARG A 2 5.124 -4.971 18.136 1.00 0.38 N
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ATOM 15 NH2 ARG A 2 3.896 -3.790 19.669 1.00 0.33 N
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ATOM 16 CZ ARG A 2 4.012 -4.322 18.461 1.00 0.55 C

‎forks/NeuralPLexer/neuralplexer/data/chemical/ASN.pdb‎

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ATOM 17 N ASN A 3 -0.437 -2.382 12.444 1.00 0.60 N
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ATOM 18 CA ASN A 3 -0.632 -0.970 12.134 1.00 0.60 C
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ATOM 19 C ASN A 3 -0.016 -0.071 13.202 1.00 0.60 C
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ATOM 20 CB ASN A 3 -2.121 -0.657 11.971 1.00 0.56 C
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ATOM 21 O ASN A 3 -0.481 -0.047 14.343 1.00 0.58 O
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ATOM 22 CG ASN A 3 -2.695 -1.202 10.678 1.00 0.55 C
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ATOM 23 ND2 ASN A 3 -4.016 -1.320 10.618 1.00 0.53 N
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ATOM 24 OD1 ASN A 3 -1.956 -1.516 9.741 1.00 0.55 O

‎forks/NeuralPLexer/neuralplexer/data/chemical/ASP.pdb‎

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ATOM 25 N ASP A 4 1.274 0.021 13.423 1.00 0.57 N
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ATOM 26 CA ASP A 4 2.172 1.003 14.023 1.00 0.57 C
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ATOM 27 C ASP A 4 1.607 2.415 13.894 1.00 0.58 C
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ATOM 28 CB ASP A 4 3.557 0.929 13.375 1.00 0.55 C
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ATOM 29 O ASP A 4 1.552 2.970 12.795 1.00 0.57 O
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ATOM 30 CG ASP A 4 3.557 0.167 12.062 1.00 0.55 C
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ATOM 31 OD1 ASP A 4 2.586 -0.569 11.783 1.00 0.55 O
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ATOM 32 OD2 ASP A 4 4.539 0.301 11.300 1.00 0.56 O

‎forks/NeuralPLexer/neuralplexer/data/chemical/CYS.pdb‎

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ATOM 33 N CYS A 5 0.256 2.708 14.247 1.00 0.59 N
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ATOM 34 CA CYS A 5 -0.533 3.860 14.670 1.00 0.59 C
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ATOM 35 C CYS A 5 0.336 5.107 14.776 1.00 0.59 C
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ATOM 36 CB CYS A 5 -1.209 3.582 16.012 1.00 0.56 C
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ATOM 37 O CYS A 5 -0.124 6.152 15.241 1.00 0.58 O
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ATOM 38 SG CYS A 5 -1.228 1.835 16.470 1.00 0.56 S

‎forks/NeuralPLexer/neuralplexer/data/chemical/GLN.pdb‎

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ATOM 39 N GLN A 6 1.254 5.296 13.796 1.00 0.59 N
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ATOM 40 CA GLN A 6 1.747 6.669 13.812 1.00 0.58 C
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ATOM 41 C GLN A 6 1.029 7.524 12.772 1.00 0.59 C
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ATOM 42 CB GLN A 6 3.256 6.701 13.566 1.00 0.56 C
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ATOM 43 O GLN A 6 0.710 7.046 11.681 1.00 0.57 O
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ATOM 44 CG GLN A 6 4.086 6.308 14.781 1.00 0.55 C
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ATOM 45 CD GLN A 6 5.575 6.284 14.491 1.00 0.56 C
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ATOM 46 NE2 GLN A 6 6.373 5.991 15.513 1.00 0.47 N
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ATOM 47 OE1 GLN A 6 6.005 6.525 13.359 1.00 0.57 O

‎forks/NeuralPLexer/neuralplexer/data/chemical/GLU.pdb‎

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ATOM 48 N GLU A 7 0.211 8.541 13.186 1.00 0.61 N
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ATOM 49 CA GLU A 7 -0.316 9.705 12.480 1.00 0.61 C
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ATOM 50 C GLU A 7 0.397 9.912 11.147 1.00 0.61 C
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ATOM 51 CB GLU A 7 -0.187 10.962 13.345 1.00 0.56 C
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ATOM 52 O GLU A 7 1.626 10.003 11.101 1.00 0.58 O
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ATOM 53 CG GLU A 7 -0.985 12.149 12.827 1.00 0.54 C
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ATOM 54 CD GLU A 7 -0.902 13.369 13.731 1.00 0.56 C
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ATOM 55 OE1 GLU A 7 -0.258 13.288 14.802 1.00 0.54 O
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ATOM 56 OE2 GLU A 7 -1.486 14.414 13.367 1.00 0.48 O

‎forks/NeuralPLexer/neuralplexer/data/chemical/GLY.pdb‎

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ATOM 57 N GLY A 8 -0.011 9.320 10.025 1.00 0.62 N
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ATOM 58 CA GLY A 8 0.256 9.579 8.619 1.00 0.61 C
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ATOM 59 C GLY A 8 0.720 8.349 7.863 1.00 0.62 C
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ATOM 60 O GLY A 8 1.049 8.429 6.678 1.00 0.60 O

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