A0A077ZBB1_TRITR Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A077ZBB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 412 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low38.3Very low226 Ų226171.8 Ų171.8100%1.11386%0.862SS**  082.30-164.9172.8165.100107.3I3M1-I3 PolarHBondContact O-N 3.43Å
2C36Very low38.2Very low131 Ų131176.8 Ų176.889%0.88586%0.863SS**  trans-84.4108.5-177.2-74.70000109.2L4C2-L4 PolarHBondContact O-N 3.31Å
3I38.1Very low38Very low145 Ų145172.6 Ų172.674%0.74485%0.854SS**  trans-78.7106.4175.2-64.9170.9000107.2M1 L5M1-I3 PolarHBondContact O-N 3.43Å; I3-L5 PolarHBondContact O-N 3.33Å
4L38.3Very low38.2Very low161 Ų161168.2 Ų168.284%0.84384%0.841SS**  trans-65.4116.5172.5-86.1155000109.4C2 Q6C2-L4 PolarHBondContact O-N 3.31Å; L4-Q6 PolarHBondContact O-N 3.21Å
5L39.2Very low38.5Very low162 Ų162165 Ų16585%0.84883%0.834SS**  trans-63110.1173.4-71.5160.4000109.7I3 H7I3-L5 PolarHBondContact O-N 3.33Å; L5-H7 PolarHBondContact O-N 3.39Å
6Q39Very low39.1Very low191 Ų191169.3 Ų169.389%0.89384%0.837SS**  trans-68.2113.6168.3-75.5-179.3-26.900109.1L4L4-Q6 PolarHBondContact O-N 3.21Å
7H38.1Very low40.4Very low180 Ų180171.3 Ų171.383%0.83384%0.84SS**PPolyproline II helixtrans-64.7134166.5-92-75.2000109.7L5 E9L5-H7 PolarHBondContact O-N 3.39Å; H7-E9 PolarHBondContact O-N 3.26Å
8P38.5Very low42.1Very low113 Ų113172.9 Ų172.973%0.73484%0.842SS**PPolyproline II helixtrans-71.7126.7179.814.6-8.7000110.2K10P8-K10 PolarHBondContact O-N 2.89Å; P8-K10 VanDerWaalsContact O-N 3.16Å
9E37.6Very low44Very low186 Ų186166.2 Ų166.287%0.86982%0.817SS**PPolyproline II helixtrans-53.4120.1169.9-73.4-165.1153.900109.9H7 K11H7-E9 PolarHBondContact O-N 3.26Å; E9-K11 PolarHBondContact O-N 3.16Å
10K38Very low46.1Very low199 Ų199160.9 Ų160.987%0.86579%0.792SS**  trans-60.1100.7166.7-73.7-179.6177.41780107.6P8 R12P8-K10 PolarHBondContact O-N 2.89Å; P8-K10 VanDerWaalsContact O-N 3.16Å; K10-R12 PolarHBondContact O-N 2.86Å
11K37.9Very low48.2Very low196 Ų196155.3 Ų155.385%0.85277%0.767SS**  trans-51.4105163.9-76.5-177.3176.1178.30107.5E9 V13E9-K11 PolarHBondContact O-N 3.16Å; K11-V13 VanDerWaalsContact C-N 3.28Å; K11-V13 PolarHBondContact O-N 2.87Å
12R36.5Very low50.6Low231 Ų231144.7 Ų144.787%0.87272%0.715SS**  trans-60.797.2165.1-90.4-179.4170.2173.8-2.6106.4K10 T14K10-R12 PolarHBondContact O-N 2.86Å; R12-T14 PolarHBondContact O-N 2.84Å
13V36.2Very low53Low123 Ų123143.1 Ų143.175%0.74570%0.695SS**  trans-65.588.3160.8-178.60000105.2K11 T15K11-V13 VanDerWaalsContact C-N 3.28Å; K11-V13 PolarHBondContact O-N 2.87Å; V13-T15 VanDerWaalsContact C-N 3.26Å; V13-T15 HydrophobicContact CG1-CG2 4.33Å; V13-T15 PolarHBondContact O-N 3.02Å
14T41.2Very low55.3Low111 Ų111143 Ų14368%0.68169%0.691SS**  trans-68.197.5164.3400000105.2R12 R16R12-T14 PolarHBondContact O-N 2.84Å; T14-R16 PolarHBondContact O-N 2.82Å
15T41.3Very low57.8Low120 Ų120135.8 Ų135.874%0.73665%0.654SS**  trans-60.789.4162.542.40000106V13 K17V13-T15 VanDerWaalsContact C-N 3.26Å; V13-T15 HydrophobicContact CG1-CG2 4.33Å; V13-T15 PolarHBondContact O-N 3.02Å; T15-K17 PolarHBondContact O-N 2.78Å
16R49.6Very low60.3Low234 Ų234131 Ų13188%0.88363%0.631SS**  trans-53.5110167.9-80.3-176.6174.6178.8-2.2105.1T14 K18T14-R16 PolarHBondContact O-N 2.82Å; R16-K18 PolarHBondContact O-N 2.99Å; R16-K18 VanDerWaalsContact O-N 3.09Å
17K60.4Low62.9Low203 Ų203122.5 Ų122.588%0.88359%0.591SS**PPolyproline II helixtrans-49.8123.6169.2-87.7-176.4173.1-178.50105.7T15 A19T15-K17 PolarHBondContact O-N 2.78Å; K17-A19 PolarHBondContact O-N 2.81Å; K17-A19 VanDerWaalsContact O-N 3.13Å
18K71.8Confident65.6Low200 Ų200114.2 Ų114.287%0.8755%0.553SS**PPolyproline II helixtrans-56.1121.9177.7-166.3177.6-178.8-176.80106.5R16R16-K18 PolarHBondContact O-N 2.99Å; R16-K18 VanDerWaalsContact O-N 3.09Å
19A77.6Confident68.3Low45 Ų45108.8 Ų108.837%0.37252%0.518SS..PPolyproline II helixtrans-60.3140-17900000108.7K17 P21 E96K17-A19 PolarHBondContact O-N 2.81Å; K17-A19 VanDerWaalsContact O-N 3.13Å; A19-P21 WeakPolarHBondContact O-CD 3.33Å; A19-E96 HydrophobicContact CB-CB 4.39Å; A19-E96 HydrophobicContact CB-CG 3.42Å; A19-E96 VanDerWaalsContact CB-CG 3.42Å
20I86.2Confident70.7Confident61 Ų61100.7 Ų100.731%0.31348%0.48SS..  trans-88.3116-176.3-59.2-179.2000107.3I22 Q24 Y98I20-I22 PolarHBondContact O-N 2.95Å; I20-Q24 HydrophobicContact CG2-CB 4.36Å; I20-Y98 HydrophobicContact CB-CD1 3.97Å; I20-Y98 HydrophobicContact CB-CD2 4.42Å; I20-Y98 HydrophobicContact CB-CE1 4.27Å; I20-Y98 HydrophobicContact CB-CG 4.05Å; I20-Y98 HydrophobicContact CD1-CD1 4.41Å; I20-Y98 HydrophobicContact CD1-CE1 3.83Å; I20-Y98 HydrophobicContact CD1-CE2 4.3Å; I20-Y98 HydrophobicContact CG1-CD1 4.42Å; I20-Y98 HydrophobicContact CG1-CE1 4.28Å; I20-Y98 HydrophobicContact CG2-CD2 4.46Å; I20-Y98 WeakPolarHBondContact O-CB 3.37Å
21P89.6Confident73Confident43 Ų4392.4 Ų92.428%0.27945%0.447SS..  trans-60.3137.6173.9-2032.6000109.9A19 E23 Q24A19-P21 WeakPolarHBondContact O-CD 3.33Å; P21-E23 VanDerWaalsContact CB-OE2 3.31Å; P21-E23 WeakPolarHBondContact CB-OE2 3.47Å; P21-E23 PolarHBondContact O-N 2.91Å; P21-E23 VanDerWaalsContact O-N 3.15Å; P21-Q24 WeakPolarHBondContact O-CB 3.35Å; P21-Q24 PolarHBondContact O-N 3.13Å
22I90.7Very high75.4Confident3 Ų383.4 Ų83.42%0.01541%0.408CS..G310 helixtrans-61.1-26.4-177.3-168.460000112.5I20 Q24 C25 F27 Y28 F63 V97I20-I22 PolarHBondContact O-N 2.95Å; I22-Q24 PolarHBondContact O-N 3.22Å; I22-C25 HydrophobicContact CD1-CB 4.14Å; I22-C25 VanDerWaalsContact O-CB 3.3Å; I22-C25 WeakPolarHBondContact O-CB 3.39Å; I22-C25 PolarHBondContact O-N 2.94Å; I22-F27 HydrophobicContact CD1-CE2 3.75Å; I22-F27 HydrophobicContact CD1-CZ 4.17Å; I22-Y28 HydrophobicContact CG1-CD1 4.18Å; I22-Y28 HydrophobicContact CG1-CD2 4.19Å; I22-Y28 HydrophobicContact CG1-CG 3.83Å; I22-Y28 HydrophobicContact CG2-CD1 4.37Å; I22-Y28 HydrophobicContact CG2-CE1 4.35Å; I22-Y28 WeakPolarHBondContact O-CB 3.38Å; I22-Y28 WeakPolarHBondContact O-CD1 3.29Å; I22-F63 HydrophobicContact CG1-CE1 4.39Å; I22-F63 HydrophobicContact CG2-CE1 3.74Å; I22-F63 HydrophobicContact CG2-CZ 3.76Å; I22-V97 HydrophobicContact CB-CB 4.09Å; I22-V97 HydrophobicContact CB-CG1 4.49Å; I22-V97 HydrophobicContact CD1-CB 4.22Å; I22-V97 HydrophobicContact CD1-CG1 3.81Å; I22-V97 HydrophobicContact CG1-CB 4.02Å; I22-V97 HydrophobicContact CG1-CG1 3.87Å
23E86.4Confident77.8Confident98 Ų9872.8 Ų72.846%0.45837%0.369SS..G310 helixtrans-61.2-24176-62.776.6-167.700113.1P21 C25 Y28 F30P21-E23 VanDerWaalsContact CB-OE2 3.31Å; P21-E23 WeakPolarHBondContact CB-OE2 3.47Å; P21-E23 PolarHBondContact O-N 2.91Å; P21-E23 VanDerWaalsContact O-N 3.15Å; E23-C25 VanDerWaalsContact C-N 3.33Å; E23-Y28 HydrophobicContact CG-CE1 4.42Å; E23-F30 HydrophobicContact CB-CZ 4.1Å; E23-F30 HydrophobicContact CG-CE1 4.27Å; E23-F30 HydrophobicContact CG-CZ 4.22Å
24Q86.6Confident80.3Confident144 Ų14474.1 Ų74.167%0.67336%0.36SS*.G310 helixtrans-84.6-8.2176.8-61.1-175.93.400112.8I20 P21 I22I20-Q24 HydrophobicContact CG2-CB 4.36Å; P21-Q24 WeakPolarHBondContact O-CB 3.35Å; P21-Q24 PolarHBondContact O-N 3.13Å; I22-Q24 PolarHBondContact O-N 3.22Å
25C91.7Very high82.6Confident9 Ų974.1 Ų74.16%0.06135%0.351CS..  trans-89.7128.1-176.2-64.10000111.6I22 E23 F27 Y28 Y98I22-C25 HydrophobicContact CD1-CB 4.14Å; I22-C25 VanDerWaalsContact O-CB 3.3Å; I22-C25 WeakPolarHBondContact O-CB 3.39Å; I22-C25 PolarHBondContact O-N 2.94Å; E23-C25 VanDerWaalsContact C-N 3.33Å; C25-F27 HydrophobicContact CB-CD1 4.05Å; C25-F27 HydrophobicContact CB-CD2 4.48Å; C25-F27 HydrophobicContact CB-CE1 3.63Å; C25-F27 HydrophobicContact CB-CE2 4.11Å; C25-F27 HydrophobicContact CB-CG 4.45Å; C25-F27 HydrophobicContact CB-CZ 3.67Å; C25-F27 PolarHBondContact O-N 2.89Å; C25-Y28 WeakPolarHBondContact O-CB 3.45Å; C25-Y28 PolarHBondContact O-N 3.05Å; C25-Y98 WeakPolarHBondContact SG-CD2 3.35Å
26T91.4Very high84.9Confident60 Ų6068.7 Ų68.737%0.36832%0.317SS..THydrogen-bonded Turntrans-67.4-21.8179.951.40000113.5Y28 E131 R132T26-Y28 VanDerWaalsContact C-N 3.28Å; T26-E131 CarbonylContact O-C 3.57Å; T26-E131 WeakPolarHBondContact O-CA 3.3Å; T26-E131 PolarHBondContact OG1-OE1 2.98Å; T26-R132 PolarHBondContact O-N 3.09Å
27F94.7Very high87Confident13 Ų1357.5 Ų57.56%0.05728%0.275CS..THydrogen-bonded Turntrans-84.12.2173.864.5-99.6000114I22 C25 H29 F49 V51 Y98 I101 M102 P129 I130I22-F27 HydrophobicContact CD1-CE2 3.75Å; I22-F27 HydrophobicContact CD1-CZ 4.17Å; C25-F27 HydrophobicContact CB-CD1 4.05Å; C25-F27 HydrophobicContact CB-CD2 4.48Å; C25-F27 HydrophobicContact CB-CE1 3.63Å; C25-F27 HydrophobicContact CB-CE2 4.11Å; C25-F27 HydrophobicContact CB-CG 4.45Å; C25-F27 HydrophobicContact CB-CZ 3.67Å; C25-F27 PolarHBondContact O-N 2.89Å; F27-H29 PolarHBondContact O-CD2 3.47Å; F27-H29 VanDerWaalsContact O-CD2 3.29Å; F27-F49 HydrophobicContact CD2-CE2 4.32Å; F27-V51 HydrophobicContact CD2-CB 4.29Å; F27-V51 HydrophobicContact CD2-CG2 3.78Å; F27-V51 HydrophobicContact CE2-CG2 3.93Å; F27-V51 PolarHBondContact O-N 2.89Å; F27-Y98 HydrophobicContact CE1-CD2 4.4Å; F27-Y98 HydrophobicContact CE1-CE2 4.43Å; F27-Y98 AromaticContact CZ-CD2 3.96Å; F27-Y98 HydrophobicContact CZ-CD2 3.96Å; F27-Y98 HydrophobicContact CZ-CE2 4.39Å; F27-I101 HydrophobicContact CE2-CG2 3.97Å; F27-I101 HydrophobicContact CZ-CG2 4.27Å; F27-M102 HydrophobicContact CD1-CE 4.23Å; F27-M102 HydrophobicContact CE1-CE 3.26Å; F27-M102 HydrophobicContact CE2-CE 4.37Å; F27-M102 HydrophobicContact CZ-CE 3.35Å; F27-P129 HydrophobicContact CB-CB 3.76Å; F27-P129 HydrophobicContact CD1-CB 4.11Å; F27-P129 HydrophobicContact CG-CB 4.07Å; F27-I130 WeakPolarHBondContact CA-O 3.04Å
28Y94.3Very high88.6Confident6 Ų649.7 Ų49.72%0.02425%0.245CC..BIsolated β-bridgetrans-96.4114.8169.9176.8-128.4000110.8I22 E23 C25 T26 F30 V51 T53 F63 R132I22-Y28 HydrophobicContact CG1-CD1 4.18Å; I22-Y28 HydrophobicContact CG1-CD2 4.19Å; I22-Y28 HydrophobicContact CG1-CG 3.83Å; I22-Y28 HydrophobicContact CG2-CD1 4.37Å; I22-Y28 HydrophobicContact CG2-CE1 4.35Å; I22-Y28 WeakPolarHBondContact O-CB 3.38Å; I22-Y28 WeakPolarHBondContact O-CD1 3.29Å; E23-Y28 HydrophobicContact CG-CE1 4.42Å; C25-Y28 WeakPolarHBondContact O-CB 3.45Å; C25-Y28 PolarHBondContact O-N 3.05Å; T26-Y28 VanDerWaalsContact C-N 3.28Å; Y28-F30 HydrophobicContact CD1-CD1 4.48Å; Y28-F30 AromaticContact CD1-CD2 3.74Å; Y28-F30 HydrophobicContact CD1-CD2 3.74Å; Y28-F30 HydrophobicContact CD1-CE1 4.33Å; Y28-F30 AromaticContact CD1-CE2 3.48Å; Y28-F30 HydrophobicContact CD1-CE2 3.48Å; Y28-F30 VanDerWaalsContact CD1-CE2 3.48Å; Y28-F30 HydrophobicContact CD1-CG 4.2Å; Y28-F30 AromaticContact CD1-CZ 3.83Å; Y28-F30 HydrophobicContact CD1-CZ 3.83Å; Y28-F30 HydrophobicContact CE1-CB 4.45Å; Y28-F30 AromaticContact CE1-CD1 3.69Å; Y28-F30 HydrophobicContact CE1-CD1 3.69Å; Y28-F30 AromaticContact CE1-CD2 3.72Å; Y28-F30 HydrophobicContact CE1-CD2 3.72Å; Y28-F30 AromaticContact CE1-CE1 3.69Å; Y28-F30 HydrophobicContact CE1-CE1 3.69Å; Y28-F30 AromaticContact CE1-CE2 3.65Å; Y28-F30 HydrophobicContact CE1-CE2 3.65Å; Y28-F30 AromaticContact CE1-CG 3.7Å; Y28-F30 HydrophobicContact CE1-CG 3.7Å; Y28-F30 AromaticContact CE1-CZ 3.66Å; Y28-F30 HydrophobicContact CE1-CZ 3.66Å; Y28-F30 HydrophobicContact CG-CD2 4.42Å; Y28-F30 HydrophobicContact CG-CE2 4.42Å; Y28-V51 CarbonylContact C-O 3.56Å; Y28-V51 WeakPolarHBondContact CA-O 3.31Å; Y28-V51 HydrophobicContact CD2-CB 4.25Å; Y28-V51 HydrophobicContact CD2-CG1 3.93Å; Y28-V51 WeakPolarHBondContact CD2-O 3.47Å; Y28-T53 HydrophobicContact CE2-CG2 4.06Å; Y28-T53 WeakPolarHBondContact OH-CG2 3.27Å; Y28-T53 PolarHBondContact OH-OG1 2.91Å; Y28-F63 HydrophobicContact CD2-CE1 4.4Å; Y28-F63 AromaticContact CE2-CD1 3.98Å; Y28-F63 HydrophobicContact CE2-CD1 3.98Å; Y28-F63 AromaticContact CE2-CE1 3.69Å; Y28-F63 HydrophobicContact CE2-CE1 3.69Å; Y28-F63 AromaticContact CZ-CE1 3.78Å; Y28-R132 WeakPolarHBondContact O-CD 3.2Å
29H93.6Very high89.5Confident0 Ų042.7 Ų42.70%022%0.216CC..  trans-99.614.6-171.8-66.4-136.2000112.2F27 C31 L32 V51 I130 E131 R132 E136F27-H29 PolarHBondContact O-CD2 3.47Å; F27-H29 VanDerWaalsContact O-CD2 3.29Å; H29-C31 PolarHBondContact O-N 3.02Å; H29-L32 HydrophobicContact CB-CB 3.82Å; H29-L32 HydrophobicContact CB-CD2 3.87Å; H29-L32 HydrophobicContact CB-CG 4.36Å; H29-L32 PolarHBondContact O-N 3.26Å; H29-V51 PolarHBondContact N-O 3.46Å; H29-I130 PolarHBondContact NE2-O 2.82Å; H29-E131 PolarHBondContact CE1-O 3.22Å; H29-R132 HydrophobicContact CB-CG 4.45Å; H29-R132 PolarHBondContact NE2-N 2.93Å; H29-E136 WeakPolarHBondContact CB-OE2 3.38Å; H29-E136 IonicContact CE1-OE1 3.43Å; H29-E136 IonicContact CG-OE2 2.73Å; H29-E136 IonicContact ND1-OE1 2.61Å; H29-E136 PolarHBondContact ND1-OE1 3.4Å; H29-E136 IonicContact ND1-OE2 2.66Å; H29-E136 PolarHBondContact ND1-OE2 2.96Å; H29-E136 VanDerWaalsContact ND1-OE2 3.1Å
30F89.9Confident90.3Very high16 Ų1641.3 Ų41.37%0.0720%0.203CC..THydrogen-bonded Turntrans50.4-134.4179.5-67-106.6000111.2E23 Y28 L32 R52 T53 M138 I212E23-F30 HydrophobicContact CB-CZ 4.1Å; E23-F30 HydrophobicContact CG-CE1 4.27Å; E23-F30 HydrophobicContact CG-CZ 4.22Å; Y28-F30 HydrophobicContact CD1-CD1 4.48Å; Y28-F30 AromaticContact CD1-CD2 3.74Å; Y28-F30 HydrophobicContact CD1-CD2 3.74Å; Y28-F30 HydrophobicContact CD1-CE1 4.33Å; Y28-F30 AromaticContact CD1-CE2 3.48Å; Y28-F30 HydrophobicContact CD1-CE2 3.48Å; Y28-F30 VanDerWaalsContact CD1-CE2 3.48Å; Y28-F30 HydrophobicContact CD1-CG 4.2Å; Y28-F30 AromaticContact CD1-CZ 3.83Å; Y28-F30 HydrophobicContact CD1-CZ 3.83Å; Y28-F30 HydrophobicContact CE1-CB 4.45Å; Y28-F30 AromaticContact CE1-CD1 3.69Å; Y28-F30 HydrophobicContact CE1-CD1 3.69Å; Y28-F30 AromaticContact CE1-CD2 3.72Å; Y28-F30 HydrophobicContact CE1-CD2 3.72Å; Y28-F30 AromaticContact CE1-CE1 3.69Å; Y28-F30 HydrophobicContact CE1-CE1 3.69Å; Y28-F30 AromaticContact CE1-CE2 3.65Å; Y28-F30 HydrophobicContact CE1-CE2 3.65Å; Y28-F30 AromaticContact CE1-CG 3.7Å; Y28-F30 HydrophobicContact CE1-CG 3.7Å; Y28-F30 AromaticContact CE1-CZ 3.66Å; Y28-F30 HydrophobicContact CE1-CZ 3.66Å; Y28-F30 HydrophobicContact CG-CD2 4.42Å; Y28-F30 HydrophobicContact CG-CE2 4.42Å; F30-L32 PolarHBondContact O-N 3.41Å; F30-R52 CarbonylContact O-C 3.54Å; F30-R52 VanDerWaalsContact O-CA 3.3Å; F30-R52 WeakPolarHBondContact O-CA 3.43Å; F30-R52 WeakPolarHBondContact O-CB 3.35Å; F30-T53 PolarHBondContact O-N 3.42Å; F30-T53 PolarHBondContact O-OG1 2.78Å; F30-M138 HydrophobicContact CD2-CE 4.33Å; F30-M138 HydrophobicContact CD2-SD 4.06Å; F30-M138 HydrophobicContact CE1-CE 4.02Å; F30-M138 HydrophobicContact CE2-CE 3.69Å; F30-M138 HydrophobicContact CE2-SD 3.86Å; F30-M138 HydrophobicContact CZ-CE 3.49Å; F30-M138 VanDerWaalsContact CZ-CE 3.49Å; F30-M138 HydrophobicContact CZ-SD 4.28Å; F30-I212 HydrophobicContact CB-CB 4.12Å; F30-I212 VanDerWaalsContact CB-O 3.24Å; F30-I212 WeakPolarHBondContact CB-O 3.34Å; F30-I212 HydrophobicContact CD2-CD1 4.01Å; F30-I212 WeakPolarHBondContact CG-O 3.36Å
31C85.8Confident90.8Very high25 Ų2538.4 Ų38.417%0.16919%0.188CC..THydrogen-bonded Turntrans-7939.5-176-70.50000114.2H29 S33 T53H29-C31 PolarHBondContact O-N 3.02Å; C31-S33 PolarHBondContact O-N 3.17Å; C31-T53 PolarHBondContact SG-OG1 2.85Å
32L88.2Confident91.1Very high6 Ų640.8 Ų40.83%0.03120%0.198CC..  trans-59.9132.3174.8-171.273.6000111.2H29 F30 D36 A37 I40 L50 R52 W135H29-L32 HydrophobicContact CB-CB 3.82Å; H29-L32 HydrophobicContact CB-CD2 3.87Å; H29-L32 HydrophobicContact CB-CG 4.36Å; H29-L32 PolarHBondContact O-N 3.26Å; F30-L32 PolarHBondContact O-N 3.41Å; L32-D36 HydrophobicContact CD1-CB 3.59Å; L32-D36 HydrophobicContact CG-CB 4.02Å; L32-A37 HydrophobicContact CD2-CB 3.83Å; L32-I40 HydrophobicContact CD1-CD1 4.25Å; L32-I40 HydrophobicContact CD2-CD1 3.82Å; L32-L50 HydrophobicContact CD2-CD1 3.86Å; L32-L50 HydrophobicContact CD2-CD2 3.91Å; L32-R52 HydrophobicContact CB-CB 4.05Å; L32-R52 WeakPolarHBondContact O-CD 3.16Å; L32-R52 PolarHBondContact O-NH1 3.15Å; L32-W135 HydrophobicContact CD1-CH2 3.77Å; L32-W135 HydrophobicContact CD1-CZ3 4.5Å
33S86.2Confident91.2Very high8 Ų845.3 Ų45.36%0.05623%0.229CC..  trans-70.3155.2179.485.30000111.8C31 K35 D36 A37 R193C31-S33 PolarHBondContact O-N 3.17Å; S33-K35 VanDerWaalsContact C-N 3.25Å; S33-K35 PolarHBondContact O-N 3.24Å; S33-D36 WeakPolarHBondContact CB-OD2 3.36Å; S33-D36 PolarHBondContact O-N 2.71Å; S33-D36 PolarHBondContact OG-N 3.04Å; S33-D36 VanDerWaalsContact OG-N 3.13Å; S33-D36 PolarHBondContact OG-OD2 2.97Å; S33-A37 PolarHBondContact O-N 2.89Å; S33-R193 PolarHBondContact OG-NH1 3Å
34R89.1Confident91.7Very high151 Ų15145.1 Ų45.157%0.5723%0.227SC*.Hα-helixtrans-53.9-44.4175-179.9178.6-108.8164.4-4.3111.6A37 V38 H75R34-A37 PolarHBondContact O-N 3.17Å; R34-V38 VanDerWaalsContact O-CG2 3.27Å; R34-V38 WeakPolarHBondContact O-CG2 3.36Å; R34-V38 PolarHBondContact O-N 2.9Å; R34-H75 WeakPolarHBondContact CG-NE2 3.27Å; R34-H75 PolarHBondContact NE-CD2 3.25Å; R34-H75 VanDerWaalsContact NE-CD2 3.27Å
35K89.5Confident92.1Very high111 Ų11146.2 Ų46.248%0.48323%0.225SC..Hα-helixtrans-66.8-38.9-179.6-71.9179.5-175.8169.70112.3S33 V38 D39 E186S33-K35 VanDerWaalsContact C-N 3.25Å; S33-K35 PolarHBondContact O-N 3.24Å; K35-V38 WeakPolarHBondContact O-CB 3.23Å; K35-V38 PolarHBondContact O-N 3.46Å; K35-D39 PolarHBondContact O-N 3.14Å; K35-E186 WeakPolarHBondContact CD-OE1 3.31Å; K35-E186 IonicContact NZ-OE1 3.14Å; K35-E186 PolarHBondContact NZ-OE1 3.5Å
36D89.5Confident92.3Very high6 Ų648.4 Ų48.43%0.03224%0.24CC..Hα-helixtrans-70-38.3177.5-58.2-40.4000111.4L32 S33 V38 D39 I40 W135 R193L32-D36 HydrophobicContact CD1-CB 3.59Å; L32-D36 HydrophobicContact CG-CB 4.02Å; S33-D36 WeakPolarHBondContact CB-OD2 3.36Å; S33-D36 PolarHBondContact O-N 2.71Å; S33-D36 PolarHBondContact OG-N 3.04Å; S33-D36 VanDerWaalsContact OG-N 3.13Å; S33-D36 PolarHBondContact OG-OD2 2.97Å; D36-V38 VanDerWaalsContact C-N 3.28Å; D36-V38 PolarHBondContact O-N 3.16Å; D36-D39 PolarHBondContact O-N 3.16Å; D36-I40 VanDerWaalsContact O-CG1 3.26Å; D36-I40 WeakPolarHBondContact O-CG1 3.23Å; D36-I40 PolarHBondContact O-N 3.25Å; D36-W135 HydrophobicContact CB-CH2 4.29Å; D36-R193 VanDerWaalsContact CG-NH1 3.28Å; D36-R193 WeakPolarHBondContact OD1-CD 3.42Å; D36-R193 VanDerWaalsContact OD1-CG 3.22Å; D36-R193 WeakPolarHBondContact OD1-CG 3.26Å; D36-R193 IonicContact OD1-CZ 2.71Å; D36-R193 IonicContact OD1-NE 2.87Å; D36-R193 IonicContact OD1-NH1 3.06Å; D36-R193 PolarHBondContact OD1-NH1 3.27Å; D36-R193 IonicContact OD2-NH1 2.8Å; D36-R193 PolarHBondContact OD2-NH1 3.01Å
37A93.5Very high92.6Very high0 Ų045.7 Ų45.70%022%0.224CC..Hα-helixtrans-59.3-40.617200000111.8L32 S33 R34 L41 L50L32-A37 HydrophobicContact CD2-CB 3.83Å; S33-A37 PolarHBondContact O-N 2.89Å; R34-A37 PolarHBondContact O-N 3.17Å; A37-L41 VanDerWaalsContact O-CB 3.3Å; A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 VanDerWaalsContact O-CG 3.25Å; A37-L41 WeakPolarHBondContact O-CG 3.31Å; A37-L41 PolarHBondContact O-N 2.93Å; A37-L50 HydrophobicContact CB-CD1 4.08Å; A37-L50 HydrophobicContact CB-CD2 4.31Å
38V94.7Very high92.7Very high39 Ų3945.3 Ų45.324%0.23622%0.223CC..Hα-helixtrans-62.9-51.6174171.30000110.7R34 K35 D36 I40 L41 L42 V73R34-V38 VanDerWaalsContact O-CG2 3.27Å; R34-V38 WeakPolarHBondContact O-CG2 3.36Å; R34-V38 PolarHBondContact O-N 2.9Å; K35-V38 WeakPolarHBondContact O-CB 3.23Å; K35-V38 PolarHBondContact O-N 3.46Å; D36-V38 VanDerWaalsContact C-N 3.28Å; D36-V38 PolarHBondContact O-N 3.16Å; V38-I40 VanDerWaalsContact C-N 3.26Å; V38-I40 PolarHBondContact O-N 2.79Å; V38-L41 PolarHBondContact O-N 3.29Å; V38-L41 VanDerWaalsContact O-N 3.09Å; V38-L42 HydrophobicContact CG1-CD1 3.47Å; V38-L42 VanDerWaalsContact CG1-CD1 3.47Å; V38-L42 HydrophobicContact CG1-CD2 4.34Å; V38-L42 HydrophobicContact CG1-CG 3.71Å; V38-L42 WeakPolarHBondContact O-CB 3.32Å; V38-L42 VanDerWaalsContact O-CG 3.26Å; V38-L42 WeakPolarHBondContact O-CG 3.32Å; V38-L42 PolarHBondContact O-N 3.09Å; V38-V73 HydrophobicContact CG1-CG2 4.44Å; V38-V73 HydrophobicContact CG2-CB 4.02Å; V38-V73 HydrophobicContact CG2-CG1 3.99Å; V38-V73 HydrophobicContact CG2-CG2 4.47Å
39D91.3Very high92.9Very high52 Ų5245 Ų4528%0.27822%0.222SC..Hα-helixtrans-56-39.2178.8-85.412.4000112.3K35 D36 R196 R197K35-D39 PolarHBondContact O-N 3.14Å; D36-D39 PolarHBondContact O-N 3.16Å; D39-R196 IonicContact OD2-NH2 3.79Å; D39-R196 PolarHBondContact OD2-NH2 3.45Å; D39-R197 IonicContact OD1-NH2 2.77Å; D39-R197 PolarHBondContact OD1-NH2 2.93Å; D39-R197 IonicContact OD2-CZ 3.78Å; D39-R197 IonicContact OD2-NH2 3.85Å; D39-R197 PolarHBondContact OD2-NH2 3.38Å
40I93.8Very high93.1Very high17 Ų1745 Ų459%0.08722%0.222CC..Hα-helixtrans-68.2-42.9176.9-68.3170.3000111.5L32 D36 V38 K44 L50 I130 W135L32-I40 HydrophobicContact CD1-CD1 4.25Å; L32-I40 HydrophobicContact CD2-CD1 3.82Å; D36-I40 VanDerWaalsContact O-CG1 3.26Å; D36-I40 WeakPolarHBondContact O-CG1 3.23Å; D36-I40 PolarHBondContact O-N 3.25Å; V38-I40 VanDerWaalsContact C-N 3.26Å; V38-I40 PolarHBondContact O-N 2.79Å; I40-K44 WeakPolarHBondContact O-CE 3.36Å; I40-K44 WeakPolarHBondContact O-CG 3.26Å; I40-L50 HydrophobicContact CB-CD2 4.38Å; I40-L50 HydrophobicContact CD1-CD2 4.35Å; I40-L50 HydrophobicContact CG2-CD2 4.06Å; I40-I130 HydrophobicContact CG2-CG2 3.79Å; I40-W135 HydrophobicContact CD1-CH2 4.37Å; I40-W135 HydrophobicContact CD1-CZ2 3.85Å; I40-W135 HydrophobicContact CG1-CZ2 4.21Å
41L97Very high93.4Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-85.8-29.7-169.8-72172000114.2A37 V38 S43 K44 L50 S66 I68 V73 I130A37-L41 VanDerWaalsContact O-CB 3.3Å; A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 VanDerWaalsContact O-CG 3.25Å; A37-L41 WeakPolarHBondContact O-CG 3.31Å; A37-L41 PolarHBondContact O-N 2.93Å; V38-L41 PolarHBondContact O-N 3.29Å; V38-L41 VanDerWaalsContact O-N 3.09Å; L41-S43 PolarHBondContact O-N 3.4Å; L41-K44 VanDerWaalsContact O-CB 3.31Å; L41-K44 WeakPolarHBondContact O-CB 3.29Å; L41-K44 PolarHBondContact O-N 2.87Å; L41-L50 HydrophobicContact CD1-CD2 4.22Å; L41-L50 HydrophobicContact CD1-CG 4.26Å; L41-L50 HydrophobicContact CD2-CD2 4.38Å; L41-L50 HydrophobicContact CG-CD2 4.07Å; L41-S66 WeakPolarHBondContact CD1-O 3.28Å; L41-I68 HydrophobicContact CB-CB 4.21Å; L41-I68 HydrophobicContact CB-CG2 4.44Å; L41-I68 HydrophobicContact CD2-CG2 4.43Å; L41-I68 WeakPolarHBondContact O-CD1 3.24Å; L41-V73 HydrophobicContact CB-CG1 4.42Å; L41-V73 HydrophobicContact CB-CG2 3.84Å; L41-V73 HydrophobicContact CD1-CG1 3.76Å; L41-I130 HydrophobicContact CD2-CG1 3.94Å
42L94.6Very high93.8Very high93 Ų9343.4 Ų43.449%0.48721%0.212SC..THydrogen-bonded Turntrans-54.9-28-173-83.8172.4000114.9V38 V73V38-L42 HydrophobicContact CG1-CD1 3.47Å; V38-L42 VanDerWaalsContact CG1-CD1 3.47Å; V38-L42 HydrophobicContact CG1-CD2 4.34Å; V38-L42 HydrophobicContact CG1-CG 3.71Å; V38-L42 WeakPolarHBondContact O-CB 3.32Å; V38-L42 VanDerWaalsContact O-CG 3.26Å; V38-L42 WeakPolarHBondContact O-CG 3.32Å; V38-L42 PolarHBondContact O-N 3.09Å; L42-V73 HydrophobicContact CD2-CG2 4.21Å; L42-V73 HydrophobicContact CG-CG2 4.32Å
43S92.5Very high93.9Very high97 Ų9743.7 Ų43.768%0.67821%0.214SC*.THydrogen-bonded Turntrans-93.41.4178.5620000114L41L41-S43 PolarHBondContact O-N 3.4Å
44K96.8Very high93.9Very high94 Ų9445.1 Ų45.141%0.40922%0.223SC..SBendtrans-96.8168.3-175.4-50.3-57.6179.7-174.50111.1I40 L41 I68 I130I40-K44 WeakPolarHBondContact O-CE 3.36Å; I40-K44 WeakPolarHBondContact O-CG 3.26Å; L41-K44 VanDerWaalsContact O-CB 3.31Å; L41-K44 WeakPolarHBondContact O-CB 3.29Å; L41-K44 PolarHBondContact O-N 2.87Å; K44-I68 HydrophobicContact CB-CG2 4.17Å; K44-I130 HydrophobicContact CD-CD1 4.32Å; K44-I130 HydrophobicContact CG-CD1 4.19Å
45R96.8Very high93.4Very high167 Ų16741.7 Ų41.763%0.6321%0.212SC*.  trans-81.9154.9-179.772.8-166.9-39.6-179.710.5111.4G47 S48 I68 Y128R45-G47 PolarHBondContact O-N 3.3Å; R45-S48 WeakPolarHBondContact O-CB 3.43Å; R45-S48 PolarHBondContact O-N 3.44Å; R45-S48 PolarHBondContact O-OG 2.99Å; R45-I68 VanDerWaalsContact O-CG2 3.26Å; R45-I68 WeakPolarHBondContact O-CG2 3.33Å; R45-Y128 HydrophobicContact CG-CD2 3.65Å; R45-Y128 HydrophobicContact CG-CE2 3.75Å
46S96.1Very high92.7Very high55 Ų5537.6 Ų37.639%0.38520%0.195SC..THydrogen-bonded Turntrans-45.8135.6172-83.30000112.4S48 I68 D69 E70S46-S48 VanDerWaalsContact C-N 3.28Å; S46-S48 PolarHBondContact O-N 3.31Å; S46-I68 WeakPolarHBondContact CA-O 3.18Å; S46-D69 WeakPolarHBondContact CB-OD1 3.46Å; S46-D69 PolarHBondContact OG-OD1 2.91Å; S46-E70 PolarHBondContact OG-N 3.2Å
47G95.9Very high91.6Very high3 Ų347 Ų473%0.03124%0.239CC..THydrogen-bonded Turntrans81.2-0.7-176.600000114.9R45 I68 L125 I127 Y128R45-G47 PolarHBondContact O-N 3.3Å; G47-I68 PolarHBondContact N-O 2.75Å; G47-L125 VanDerWaalsContact CA-O 3.27Å; G47-L125 WeakPolarHBondContact CA-O 3.38Å; G47-I127 PolarHBondContact O-N 2.85Å; G47-Y128 PolarHBondContact O-N 3.19Å
48S98.1Very high90.3Very high5 Ų554.5 Ų54.54%0.03527%0.274CS..EExtended strand (participates in β ladder)trans-67133.9165.7-76.50000110.7R45 S46 V67 I68 Y128R45-S48 WeakPolarHBondContact O-CB 3.43Å; R45-S48 PolarHBondContact O-N 3.44Å; R45-S48 PolarHBondContact O-OG 2.99Å; S46-S48 VanDerWaalsContact C-N 3.28Å; S46-S48 PolarHBondContact O-N 3.31Å; S48-V67 WeakPolarHBondContact O-CA 3.19Å; S48-V67 WeakPolarHBondContact O-CG2 3.37Å; S48-I68 PolarHBondContact O-N 3.43Å; S48-Y128 CarbonylContact C-O 3.1Å; S48-Y128 VanDerWaalsContact CA-O 3.28Å; S48-Y128 WeakPolarHBondContact CA-O 3.31Å
49F97.7Very high88.7Confident0 Ų062.3 Ų62.30%030%0.299CS..EExtended strand (participates in β ladder)trans-145.5159.1-173.978.8-82.3000113F27 V51 V65 S66 V67 I101 V105 I126 Y128 P129 I130F27-F49 HydrophobicContact CD2-CE2 4.32Å; F49-V51 HydrophobicContact CD2-CG2 4.46Å; F49-V51 HydrophobicContact CE2-CG2 4.25Å; F49-V65 HydrophobicContact CB-CG1 4.41Å; F49-V65 HydrophobicContact CD2-CG1 4.18Å; F49-S66 CarbonylContact C-O 3.56Å; F49-S66 WeakPolarHBondContact CA-O 3.34Å; F49-S66 WeakPolarHBondContact CB-O 3.44Å; F49-V67 HydrophobicContact CB-CB 4Å; F49-V67 HydrophobicContact CB-CG2 4.11Å; F49-I101 HydrophobicContact CE2-CG2 3.62Å; F49-I101 HydrophobicContact CZ-CG2 3.79Å; F49-V105 HydrophobicContact CE1-CG2 3.73Å; F49-V105 HydrophobicContact CZ-CG2 3.68Å; F49-I126 HydrophobicContact CB-CB 4.13Å; F49-I126 HydrophobicContact CB-CG2 3.68Å; F49-I126 HydrophobicContact CD1-CB 3.61Å; F49-I126 HydrophobicContact CD1-CG2 4.16Å; F49-I126 HydrophobicContact CD2-CB 4.27Å; F49-I126 HydrophobicContact CD2-CD1 4.44Å; F49-I126 HydrophobicContact CD2-CG2 4.28Å; F49-I126 HydrophobicContact CE1-CB 4.02Å; F49-I126 HydrophobicContact CE2-CD1 4.32Å; F49-I126 HydrophobicContact CG-CB 3.74Å; F49-I126 HydrophobicContact CG-CG2 3.78Å; F49-I126 HydrophobicContact CZ-CD1 4.46Å; F49-Y128 WeakPolarHBondContact CD1-O 3.36Å; F49-Y128 PolarHBondContact N-O 2.93Å; F49-P129 VanDerWaalsContact CE1-CA 3.49Å; F49-P129 HydrophobicContact CE1-CB 3.85Å; F49-P129 HydrophobicContact CE1-CG 4.43Å; F49-P129 VanDerWaalsContact CE1-N 3.34Å; F49-P129 HydrophobicContact CZ-CB 3.77Å; F49-I130 WeakPolarHBondContact O-CB 3.41Å; F49-I130 PolarHBondContact O-N 3.4Å
50L97.7Very high87.9Confident0 Ų061.7 Ų61.70%031%0.305CS..EExtended strand (participates in β ladder)trans-137.41561686085000110.1L32 A37 I40 L41 R52 S66 I130L32-L50 HydrophobicContact CD2-CD1 3.86Å; L32-L50 HydrophobicContact CD2-CD2 3.91Å; A37-L50 HydrophobicContact CB-CD1 4.08Å; A37-L50 HydrophobicContact CB-CD2 4.31Å; I40-L50 HydrophobicContact CB-CD2 4.38Å; I40-L50 HydrophobicContact CD1-CD2 4.35Å; I40-L50 HydrophobicContact CG2-CD2 4.06Å; L41-L50 HydrophobicContact CD1-CD2 4.22Å; L41-L50 HydrophobicContact CD1-CG 4.26Å; L41-L50 HydrophobicContact CD2-CD2 4.38Å; L41-L50 HydrophobicContact CG-CD2 4.07Å; L50-R52 HydrophobicContact CD1-CB 4.16Å; L50-R52 HydrophobicContact CD1-CG 4.23Å; L50-S66 PolarHBondContact N-O 3.18Å; L50-S66 PolarHBondContact O-N 2.73Å; L50-I130 HydrophobicContact CB-CB 4.48Å
51V96.8Very high87.2Confident0 Ų065.9 Ų65.90%032%0.323CS..EExtended strand (participates in β ladder)trans-105.6135.2174.1-177.30000108.3F27 Y28 H29 F49 F63 V65 V97 I101F27-V51 HydrophobicContact CD2-CB 4.29Å; F27-V51 HydrophobicContact CD2-CG2 3.78Å; F27-V51 HydrophobicContact CE2-CG2 3.93Å; F27-V51 PolarHBondContact O-N 2.89Å; Y28-V51 CarbonylContact C-O 3.56Å; Y28-V51 WeakPolarHBondContact CA-O 3.31Å; Y28-V51 HydrophobicContact CD2-CB 4.25Å; Y28-V51 HydrophobicContact CD2-CG1 3.93Å; Y28-V51 WeakPolarHBondContact CD2-O 3.47Å; H29-V51 PolarHBondContact N-O 3.46Å; F49-V51 HydrophobicContact CD2-CG2 4.46Å; F49-V51 HydrophobicContact CE2-CG2 4.25Å; V51-F63 HydrophobicContact CG1-CD1 4.18Å; V51-V65 HydrophobicContact CG2-CG2 4.48Å; V51-V97 HydrophobicContact CG1-CG1 4.26Å; V51-I101 HydrophobicContact CG2-CD1 3.72Å; V51-I101 HydrophobicContact CG2-CG1 3.96Å
52R94.3Very high86.9Confident8 Ų866.7 Ų66.73%0.0333%0.328CS..EExtended strand (participates in β ladder)trans-142.6160.3177.864.4-173.8-171.475.510.7110.2F30 L32 L50 F63 C64 S66F30-R52 CarbonylContact O-C 3.54Å; F30-R52 VanDerWaalsContact O-CA 3.3Å; F30-R52 WeakPolarHBondContact O-CA 3.43Å; F30-R52 WeakPolarHBondContact O-CB 3.35Å; L32-R52 HydrophobicContact CB-CB 4.05Å; L32-R52 WeakPolarHBondContact O-CD 3.16Å; L32-R52 PolarHBondContact O-NH1 3.15Å; L50-R52 HydrophobicContact CD1-CB 4.16Å; L50-R52 HydrophobicContact CD1-CG 4.23Å; R52-F63 CarbonylContact O-C 3.48Å; R52-C64 HydrophobicContact CG-CB 4.16Å; R52-C64 PolarHBondContact N-O 3.19Å; R52-C64 PolarHBondContact NH2-SG 2.83Å; R52-C64 PolarHBondContact O-N 3.04Å; R52-S66 PolarHBondContact NE-OG 3.03Å
53T90.2Very high86.8Confident12 Ų1263.6 Ų63.67%0.07431%0.31CS..EExtended strand (participates in β ladder)trans-94.5146.4166.639.80000110.3Y28 F30 C31 T62 F63Y28-T53 HydrophobicContact CE2-CG2 4.06Å; Y28-T53 WeakPolarHBondContact OH-CG2 3.27Å; Y28-T53 PolarHBondContact OH-OG1 2.91Å; F30-T53 PolarHBondContact O-N 3.42Å; F30-T53 PolarHBondContact O-OG1 2.78Å; C31-T53 PolarHBondContact SG-OG1 2.85Å; T53-T62 CarbonylContact C-O 3.59Å; T53-T62 WeakPolarHBondContact CA-O 3.38Å; T53-F63 HydrophobicContact CG2-CD1 3.7Å; T53-F63 HydrophobicContact CG2-CE1 3.71Å; T53-F63 HydrophobicContact CG2-CG 4.25Å; T53-F63 HydrophobicContact CG2-CZ 4.27Å
54T86.1Confident86.9Confident38 Ų3859.1 Ų59.123%0.23328%0.279CS..EExtended strand (participates in β ladder)trans-135.8149.7175.4-170.70000108.8D56 F61 T62 C64T54-D56 PolarHBondContact O-N 3.17Å; T54-F61 WeakPolarHBondContact O-CA 3.39Å; T54-T62 HydrophobicContact CG2-CG2 3.69Å; T54-T62 PolarHBondContact N-O 3.18Å; T54-T62 PolarHBondContact O-N 3Å; T54-C64 HydrophobicContact CG2-CB 4.12Å
55K79Confident86.8Confident78 Ų7854.6 Ų54.634%0.33926%0.259SS..EExtended strand (participates in β ladder)trans-59.3138.8172-74.4-176.7176.31750110.1G60 F61 D182K55-G60 CarbonylContact C-O 3.52Å; K55-G60 VanDerWaalsContact CA-O 3.26Å; K55-G60 WeakPolarHBondContact CA-O 3.48Å; K55-F61 HydrophobicContact CG-CD1 4.23Å; K55-F61 HydrophobicContact CG-CE1 3.76Å; K55-F61 HydrophobicContact CG-CZ 4.22Å; K55-D182 WeakPolarHBondContact CD-OD2 3.47Å; K55-D182 WeakPolarHBondContact CE-OD1 3.37Å; K55-D182 IonicContact NZ-OD1 3.7Å; K55-D182 PolarHBondContact NZ-OD1 3.3Å; K55-D182 IonicContact NZ-OD2 3.26Å; K55-D182 PolarHBondContact NZ-OD2 3.1Å
56D75.4Confident86.7Confident26 Ų2646.7 Ų46.714%0.13923%0.229CC..EExtended strand (participates in β ladder)trans-127.4128.6173.3-162.8-77.6000108.7T54 E58 W59 G60 T62 K77T54-D56 PolarHBondContact O-N 3.17Å; D56-E58 PolarHBondContact O-N 2.73Å; D56-E58 PolarHBondContact OD1-N 2.89Å; D56-E58 VanDerWaalsContact OD1-N 3.14Å; D56-W59 PolarHBondContact O-N 2.81Å; D56-G60 PolarHBondContact N-O 3.17Å; D56-G60 CarbonylContact O-C 3.57Å; D56-G60 WeakPolarHBondContact O-CA 3.27Å; D56-G60 PolarHBondContact O-N 2.96Å; D56-T62 HydrophobicContact CB-CG2 3.88Å; D56-K77 IonicContact OD2-NZ 3.35Å; D56-K77 PolarHBondContact OD2-NZ 2.95Å
57H65.7Low86.7Confident203 Ų20344 Ų4494%0.9421%0.211SC*.THydrogen-bonded Turntrans-64.1-26.3-173-68.8-70.3000112.8
58E66.8Low86.7Confident157 Ų15744 Ų4473%0.73421%0.21SC*.THydrogen-bonded Turntrans-88.7-36.6-177.7-67.4179.2178.800112.6D56D56-E58 PolarHBondContact O-N 2.73Å; D56-E58 PolarHBondContact OD1-N 2.89Å; D56-E58 VanDerWaalsContact OD1-N 3.14Å
59W59.6Low86.5Confident204 Ų20445 Ų4577%0.77322%0.215SC*.THydrogen-bonded Turntrans-121.64.5-166.8-55.299.1000114.5D56 F61D56-W59 PolarHBondContact O-N 2.81Å; W59-F61 VanDerWaalsContact C-N 3.28Å; W59-F61 PolarHBondContact O-N 2.91Å
60G74.2Confident86.2Confident39 Ų3952.4 Ų52.440%0.40225%0.249SC..EExtended strand (participates in β ladder)trans81.9-66.6-174.300000111.9K55 D56K55-G60 CarbonylContact C-O 3.52Å; K55-G60 VanDerWaalsContact CA-O 3.26Å; K55-G60 WeakPolarHBondContact CA-O 3.48Å; D56-G60 PolarHBondContact N-O 3.17Å; D56-G60 CarbonylContact O-C 3.57Å; D56-G60 WeakPolarHBondContact O-CA 3.27Å; D56-G60 PolarHBondContact O-N 2.96Å
61F80.8Confident85.9Confident104 Ų10454.8 Ų54.846%0.45627%0.274SS..EExtended strand (participates in β ladder)trans-134.5144.9178.1-68.6-85.5000112.2T54 K55 W59T54-F61 WeakPolarHBondContact O-CA 3.39Å; K55-F61 HydrophobicContact CG-CD1 4.23Å; K55-F61 HydrophobicContact CG-CE1 3.76Å; K55-F61 HydrophobicContact CG-CZ 4.22Å; W59-F61 VanDerWaalsContact C-N 3.28Å; W59-F61 PolarHBondContact O-N 2.91Å
62T89.6Confident85.6Confident18 Ų1859.4 Ų59.411%0.1130%0.296CS..EExtended strand (participates in β ladder)trans-132.3151.4170.7-172.30000111.2T53 T54 D56 K77 M78T53-T62 CarbonylContact C-O 3.59Å; T53-T62 WeakPolarHBondContact CA-O 3.38Å; T54-T62 HydrophobicContact CG2-CG2 3.69Å; T54-T62 PolarHBondContact N-O 3.18Å; T54-T62 PolarHBondContact O-N 3Å; D56-T62 HydrophobicContact CB-CG2 3.88Å; T62-K77 HydrophobicContact CG2-CB 4.41Å; T62-K77 HydrophobicContact CG2-CD 3.94Å; T62-K77 HydrophobicContact CG2-CG 4.04Å; T62-M78 PolarHBondContact OG1-O 3.26Å
63F93Very high85.6Confident28 Ų2859.6 Ų59.612%0.12330%0.298CS..EExtended strand (participates in β ladder)trans-73.4144.3171-68.9-82.5000110.5I22 Y28 V51 R52 T53 M78 F86 V97I22-F63 HydrophobicContact CG1-CE1 4.39Å; I22-F63 HydrophobicContact CG2-CE1 3.74Å; I22-F63 HydrophobicContact CG2-CZ 3.76Å; Y28-F63 HydrophobicContact CD2-CE1 4.4Å; Y28-F63 AromaticContact CE2-CD1 3.98Å; Y28-F63 HydrophobicContact CE2-CD1 3.98Å; Y28-F63 AromaticContact CE2-CE1 3.69Å; Y28-F63 HydrophobicContact CE2-CE1 3.69Å; Y28-F63 AromaticContact CZ-CE1 3.78Å; V51-F63 HydrophobicContact CG1-CD1 4.18Å; R52-F63 CarbonylContact O-C 3.48Å; T53-F63 HydrophobicContact CG2-CD1 3.7Å; T53-F63 HydrophobicContact CG2-CE1 3.71Å; T53-F63 HydrophobicContact CG2-CG 4.25Å; T53-F63 HydrophobicContact CG2-CZ 4.27Å; F63-M78 HydrophobicContact CB-CB 4.05Å; F63-M78 HydrophobicContact CB-CG 3.94Å; F63-M78 HydrophobicContact CB-SD 3.54Å; F63-M78 VanDerWaalsContact CB-SD 3.54Å; F63-M78 HydrophobicContact CG-SD 4.37Å; F63-M78 PolarHBondContact O-N 2.76Å; F63-F86 HydrophobicContact CD2-CD1 4.14Å; F63-F86 AromaticContact CD2-CE1 3.66Å; F63-F86 HydrophobicContact CD2-CE1 3.66Å; F63-F86 HydrophobicContact CD2-CZ 4.14Å; F63-F86 AromaticContact CE2-CE1 3.85Å; F63-F86 HydrophobicContact CE2-CE1 3.85Å; F63-F86 AromaticContact CE2-CZ 3.84Å; F63-F86 HydrophobicContact CE2-CZ 3.84Å; F63-V97 HydrophobicContact CD1-CG1 4.42Å; F63-V97 HydrophobicContact CD1-CG2 4.14Å; F63-V97 HydrophobicContact CD2-CG2 3.49Å; F63-V97 VanDerWaalsContact CD2-CG2 3.49Å; F63-V97 HydrophobicContact CE1-CG2 4.21Å; F63-V97 HydrophobicContact CE2-CG2 3.57Å; F63-V97 HydrophobicContact CG-CG2 3.79Å; F63-V97 HydrophobicContact CZ-CG2 3.94Å
64C93.3Very high85.8Confident2 Ų259.2 Ų59.21%0.01430%0.295CS..EExtended strand (participates in β ladder)trans-137.6127.7179.9178.50000109R52 T54 I76R52-C64 HydrophobicContact CG-CB 4.16Å; R52-C64 PolarHBondContact N-O 3.19Å; R52-C64 PolarHBondContact NH2-SG 2.83Å; R52-C64 PolarHBondContact O-N 3.04Å; T54-C64 HydrophobicContact CG2-CB 4.12Å; C64-I76 CarbonylContact C-O 3.57Å; C64-I76 VanDerWaalsContact CA-O 3.28Å; C64-I76 WeakPolarHBondContact CA-O 3.28Å
65V95.3Very high86Confident0 Ų059 Ų590%029%0.291CS..EExtended strand (participates in β ladder)trans-89121.8168.8-176.10000108F49 V51 H75 I76 M78 L88 I101 L111 I126F49-V65 HydrophobicContact CB-CG1 4.41Å; F49-V65 HydrophobicContact CD2-CG1 4.18Å; V51-V65 HydrophobicContact CG2-CG2 4.48Å; V65-H75 WeakPolarHBondContact O-CA 3.06Å; V65-I76 PolarHBondContact N-O 3.35Å; V65-I76 PolarHBondContact O-N 3.23Å; V65-M78 HydrophobicContact CG2-CG 4.46Å; V65-L88 HydrophobicContact CG2-CD1 3.67Å; V65-L88 HydrophobicContact CG2-CD2 4.34Å; V65-I101 HydrophobicContact CG2-CD1 3.49Å; V65-I101 VanDerWaalsContact CG2-CD1 3.49Å; V65-L111 HydrophobicContact CG1-CD1 4.17Å; V65-I126 HydrophobicContact CG1-CG2 3.83Å
66S95.8Very high86.6Confident0 Ų055.7 Ų55.70%028%0.277CS..EExtended strand (participates in β ladder)trans-104.9125.7170.8-53.70000108.4L41 F49 L50 R52 W74 H75L41-S66 WeakPolarHBondContact CD1-O 3.28Å; F49-S66 CarbonylContact C-O 3.56Å; F49-S66 WeakPolarHBondContact CA-O 3.34Å; F49-S66 WeakPolarHBondContact CB-O 3.44Å; L50-S66 PolarHBondContact N-O 3.18Å; L50-S66 PolarHBondContact O-N 2.73Å; R52-S66 PolarHBondContact NE-OG 3.03Å; S66-W74 CarbonylContact C-O 3.48Å; S66-W74 VanDerWaalsContact CA-O 3.25Å; S66-W74 WeakPolarHBondContact CA-O 3.3Å; S66-H75 WeakPolarHBondContact CB-ND1 3.35Å; S66-H75 PolarHBondContact OG-ND1 3.33Å
67V95.8Very high87.4Confident0 Ų059.6 Ų59.60%029%0.293CS..EExtended strand (participates in β ladder)trans-135.9137-173.758.90000109.9S48 F49 V73 W74 L111 I126S48-V67 WeakPolarHBondContact O-CA 3.19Å; S48-V67 WeakPolarHBondContact O-CG2 3.37Å; F49-V67 HydrophobicContact CB-CB 4Å; F49-V67 HydrophobicContact CB-CG2 4.11Å; V67-V73 WeakPolarHBondContact O-CA 3.47Å; V67-W74 HydrophobicContact CG1-CB 3.98Å; V67-W74 PolarHBondContact N-O 3.15Å; V67-W74 PolarHBondContact O-N 3.27Å; V67-L111 HydrophobicContact CG1-CD1 4.37Å; V67-I126 HydrophobicContact CB-CG2 4Å; V67-I126 HydrophobicContact CG2-CG2 3.87Å
68I95.3Very high88.6Confident3 Ų350.1 Ų50.12%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-91.2137.8171.1-177.4161.5000110.6L41 K44 R45 S46 G47 S48 E72 V73L41-I68 HydrophobicContact CB-CB 4.21Å; L41-I68 HydrophobicContact CB-CG2 4.44Å; L41-I68 HydrophobicContact CD2-CG2 4.43Å; L41-I68 WeakPolarHBondContact O-CD1 3.24Å; K44-I68 HydrophobicContact CB-CG2 4.17Å; R45-I68 VanDerWaalsContact O-CG2 3.26Å; R45-I68 WeakPolarHBondContact O-CG2 3.33Å; S46-I68 WeakPolarHBondContact CA-O 3.18Å; G47-I68 PolarHBondContact N-O 2.75Å; S48-I68 PolarHBondContact O-N 3.43Å; I68-E72 CarbonylContact C-O 3.53Å; I68-E72 WeakPolarHBondContact CA-O 3.43Å; I68-V73 HydrophobicContact CB-CG2 4.26Å; I68-V73 HydrophobicContact CD1-CG2 4.45Å; I68-V73 HydrophobicContact CG1-CG2 4.43Å
69D93.6Very high89.7Confident24 Ų2445.1 Ų45.113%0.12823%0.232CC..EExtended strand (participates in β ladder)trans-147.5130.1168.2-165.131.2000111.2S46 G71 E72 K121 L124S46-D69 WeakPolarHBondContact CB-OD1 3.46Å; S46-D69 PolarHBondContact OG-OD1 2.91Å; D69-G71 PolarHBondContact O-N 2.99Å; D69-G71 VanDerWaalsContact O-N 3.17Å; D69-E72 PolarHBondContact N-O 3.03Å; D69-E72 PolarHBondContact O-N 3.15Å; D69-K121 WeakPolarHBondContact OD2-CE 3.45Å; D69-K121 IonicContact OD2-NZ 2.66Å; D69-K121 PolarHBondContact OD2-NZ 2.6Å; D69-L124 HydrophobicContact CB-CD2 3.74Å
70E91.1Very high91.2Very high156 Ų15639.1 Ų39.173%0.72922%0.217SC*.THydrogen-bonded Turntrans53.835.4178.3-61176.4144.400113.6S46 E72 K121S46-E70 PolarHBondContact OG-N 3.2Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.05Å; E70-K121 IonicContact OE2-NZ 3.34Å; E70-K121 PolarHBondContact OE2-NZ 3.27Å
71G91.3Very high92.1Very high50 Ų5038.9 Ų38.952%0.51521%0.207SC..THydrogen-bonded Turntrans85.1-3.5179.900000114.8D69D69-G71 PolarHBondContact O-N 2.99Å; D69-G71 VanDerWaalsContact O-N 3.17Å
72E92.4Very high92.6Very high97 Ų9742.4 Ų42.445%0.45323%0.231SC..EExtended strand (participates in β ladder)trans-108.9140.1177.6-64.3-167.1156.400111.9I68 D69 E70I68-E72 CarbonylContact C-O 3.53Å; I68-E72 WeakPolarHBondContact CA-O 3.43Å; D69-E72 PolarHBondContact N-O 3.03Å; D69-E72 PolarHBondContact O-N 3.15Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.05Å
73V93.6Very high92.8Very high13 Ų1349.6 Ų49.68%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-98.7124177.7-1790000110.1V38 L41 L42 V67 I68 N116V38-V73 HydrophobicContact CG1-CG2 4.44Å; V38-V73 HydrophobicContact CG2-CB 4.02Å; V38-V73 HydrophobicContact CG2-CG1 3.99Å; V38-V73 HydrophobicContact CG2-CG2 4.47Å; L41-V73 HydrophobicContact CB-CG1 4.42Å; L41-V73 HydrophobicContact CB-CG2 3.84Å; L41-V73 HydrophobicContact CD1-CG1 3.76Å; L42-V73 HydrophobicContact CD2-CG2 4.21Å; L42-V73 HydrophobicContact CG-CG2 4.32Å; V67-V73 WeakPolarHBondContact O-CA 3.47Å; I68-V73 HydrophobicContact CB-CG2 4.26Å; I68-V73 HydrophobicContact CD1-CG2 4.45Å; I68-V73 HydrophobicContact CG1-CG2 4.43Å; V73-N116 PolarHBondContact O-ND2 2.9Å
74W93.1Very high92.7Very high4 Ų450.2 Ų50.22%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-105.6144.7-179.9-63.176.3000110.2S66 V67 N116 I119 K121 L124S66-W74 CarbonylContact C-O 3.48Å; S66-W74 VanDerWaalsContact CA-O 3.25Å; S66-W74 WeakPolarHBondContact CA-O 3.3Å; V67-W74 HydrophobicContact CG1-CB 3.98Å; V67-W74 PolarHBondContact N-O 3.15Å; V67-W74 PolarHBondContact O-N 3.27Å; W74-N116 HydrophobicContact CD2-CB 3.96Å; W74-N116 HydrophobicContact CE3-CB 3.34Å; W74-N116 HydrophobicContact CH2-CB 3.64Å; W74-N116 HydrophobicContact CZ2-CB 4.22Å; W74-N116 HydrophobicContact CZ3-CB 3.18Å; W74-I119 HydrophobicContact CH2-CB 4.39Å; W74-I119 HydrophobicContact CH2-CG2 4.44Å; W74-K121 HydrophobicContact CE3-CB 4.37Å; W74-K121 HydrophobicContact CH2-CB 3.73Å; W74-K121 HydrophobicContact CH2-CD 4.38Å; W74-K121 HydrophobicContact CZ2-CB 4.11Å; W74-K121 HydrophobicContact CZ2-CD 3.89Å; W74-K121 HydrophobicContact CZ3-CB 3.84Å; W74-L124 HydrophobicContact CB-CD1 3.87Å; W74-L124 HydrophobicContact CB-CD2 4.44Å; W74-L124 HydrophobicContact CD2-CD1 3.8Å; W74-L124 HydrophobicContact CD2-CD2 4.22Å; W74-L124 HydrophobicContact CE3-CD1 3.84Å; W74-L124 HydrophobicContact CG-CD1 3.78Å; W74-L124 HydrophobicContact CG-CD2 3.9Å
75H92Very high92.7Very high32 Ų3252.6 Ų52.615%0.14829%0.285CS..EExtended strand (participates in β ladder)trans-127.8109.8-178.4-56.9-78.1000110.2R34 V65 S66R34-H75 WeakPolarHBondContact CG-NE2 3.27Å; R34-H75 PolarHBondContact NE-CD2 3.25Å; R34-H75 VanDerWaalsContact NE-CD2 3.27Å; V65-H75 WeakPolarHBondContact O-CA 3.06Å; S66-H75 WeakPolarHBondContact CB-ND1 3.35Å; S66-H75 PolarHBondContact OG-ND1 3.33Å
76I91.8Very high92.7Very high10 Ų1054.7 Ų54.75%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-110.7116.7-175.5-48.3-56.6000108.9C64 V65 L88 L111 L124C64-I76 CarbonylContact C-O 3.57Å; C64-I76 VanDerWaalsContact CA-O 3.28Å; C64-I76 WeakPolarHBondContact CA-O 3.28Å; V65-I76 PolarHBondContact N-O 3.35Å; V65-I76 PolarHBondContact O-N 3.23Å; I76-L88 HydrophobicContact CB-CD2 4.47Å; I76-L88 HydrophobicContact CG2-CD2 3.76Å; I76-L111 HydrophobicContact CB-CD1 4.38Å; I76-L111 HydrophobicContact CG1-CD1 3.95Å; I76-L124 HydrophobicContact CD1-CD1 4.3Å
77K90.8Very high92.6Very high107 Ų10756.6 Ų56.647%0.46530%0.302SS..EExtended strand (participates in β ladder)trans-72.9135.9173.5-71.5-178171-169.40109.7D56 T62D56-K77 IonicContact OD2-NZ 3.35Å; D56-K77 PolarHBondContact OD2-NZ 2.95Å; T62-K77 HydrophobicContact CG2-CB 4.41Å; T62-K77 HydrophobicContact CG2-CD 3.94Å; T62-K77 HydrophobicContact CG2-CG 4.04Å
78M91.5Very high92.3Very high4 Ų456.6 Ų56.62%0.0230%0.302CS..PPolyproline II helixtrans-75142.1169.8-63.8-172.976.300109.2T62 F63 V65 F86 L88 V97 V100T62-M78 PolarHBondContact OG1-O 3.26Å; F63-M78 HydrophobicContact CB-CB 4.05Å; F63-M78 HydrophobicContact CB-CG 3.94Å; F63-M78 HydrophobicContact CB-SD 3.54Å; F63-M78 VanDerWaalsContact CB-SD 3.54Å; F63-M78 HydrophobicContact CG-SD 4.37Å; F63-M78 PolarHBondContact O-N 2.76Å; V65-M78 HydrophobicContact CG2-CG 4.46Å; M78-F86 HydrophobicContact CE-CB 3.83Å; M78-L88 HydrophobicContact CB-CD2 4.42Å; M78-L88 HydrophobicContact CE-CD1 4.25Å; M78-L88 HydrophobicContact CE-CG 4.18Å; M78-L88 HydrophobicContact CG-CD1 4.29Å; M78-L88 HydrophobicContact CG-CD2 3.72Å; M78-L88 HydrophobicContact CG-CG 3.91Å; M78-V97 HydrophobicContact CE-CB 4.46Å; M78-V97 HydrophobicContact CE-CG1 3.98Å; M78-V97 HydrophobicContact CE-CG2 4.34Å; M78-V97 HydrophobicContact SD-CB 4.46Å; M78-V97 HydrophobicContact SD-CG1 3.61Å; M78-V97 HydrophobicContact SD-CG2 4.19Å; M78-V100 HydrophobicContact CE-CB 3.83Å; M78-V100 HydrophobicContact CE-CG1 3.72Å; M78-V100 HydrophobicContact CE-CG2 4.19Å
79S90.7Very high91.7Very high53 Ų5357.2 Ų57.237%0.37131%0.308SS..EExtended strand (participates in β ladder)trans-101.5159.7174.8-62.80000109.8F86 Y87S79-F86 CarbonylContact O-C 3.59Å; S79-F86 WeakPolarHBondContact O-CA 3.43Å; S79-Y87 VanDerWaalsContact CB-CE1 3.46Å; S79-Y87 WeakPolarHBondContact CB-OH 3.39Å; S79-Y87 PolarHBondContact N-O 3.36Å; S79-Y87 WeakPolarHBondContact O-CD1 3.49Å; S79-Y87 PolarHBondContact O-N 2.82Å
80V90.9Very high91.1Very high77 Ų7761.5 Ų61.547%0.46733%0.331SS..EExtended strand (participates in β ladder)trans-122.8130.5178.3-1760000107.9H85 F86V80-H85 CarbonylContact C-O 3.45Å; V80-H85 WeakPolarHBondContact CA-O 3.17Å; V80-F86 HydrophobicContact CG2-CD1 3.69Å; V80-F86 HydrophobicContact CG2-CE1 3.74Å
81D91.9Very high90.7Very high35 Ų3556.6 Ų56.619%0.18731%0.314CS..  trans-84.2178177.874.415000112.6K83 G84 H85 Y87 H93D81-K83 PolarHBondContact O-N 3.07Å; D81-K83 WeakPolarHBondContact OD1-CA 3.44Å; D81-K83 WeakPolarHBondContact OD1-CB 3.47Å; D81-K83 PolarHBondContact OD1-N 3.4Å; D81-G84 PolarHBondContact O-N 2.92Å; D81-G84 PolarHBondContact OD1-N 3.45Å; D81-H85 PolarHBondContact N-O 2.9Å; D81-H85 IonicContact OD1-CG 3.45Å; D81-H85 PolarHBondContact OD1-N 3.25Å; D81-H85 IonicContact OD2-ND1 3.97Å; D81-Y87 HydrophobicContact CB-CD1 4.3Å; D81-Y87 HydrophobicContact CB-CE1 4.09Å; D81-H93 IonicContact OD2-CE1 3.97Å; D81-H93 IonicContact OD2-CG 3.78Å; D81-H93 IonicContact OD2-ND1 2.81Å; D81-H93 PolarHBondContact OD2-ND1 2.84Å
82N92.1Very high90.8Very high178 Ų17857.8 Ų57.895%0.95231%0.305SS*.THydrogen-bonded Turntrans-64.3-10.3-178.8-60.2-10.6000114.2
83K93.5Very high90.9Very high168 Ų16856.4 Ų56.473%0.7330%0.298SS*.THydrogen-bonded Turntrans-98.40.5175.7-61.3179-179.1174.50112.2D81 H85D81-K83 PolarHBondContact O-N 3.07Å; D81-K83 WeakPolarHBondContact OD1-CA 3.44Å; D81-K83 WeakPolarHBondContact OD1-CB 3.47Å; D81-K83 PolarHBondContact OD1-N 3.4Å; K83-H85 VanDerWaalsContact C-N 3.31Å
84G90.6Very high91Very high41 Ų4156 Ų5642%0.42330%0.296SS..SBendtrans78.813.7-174.100000113.4D81D81-G84 PolarHBondContact O-N 2.92Å; D81-G84 PolarHBondContact OD1-N 3.45Å
85H94.6Very high91Very high53 Ų5359.3 Ų59.325%0.24532%0.318CS..  trans-86137.8177-61.7164.4000110.9V80 D81 K83 H93 A94V80-H85 CarbonylContact C-O 3.45Å; V80-H85 WeakPolarHBondContact CA-O 3.17Å; D81-H85 PolarHBondContact N-O 2.9Å; D81-H85 IonicContact OD1-CG 3.45Å; D81-H85 PolarHBondContact OD1-N 3.25Å; D81-H85 IonicContact OD2-ND1 3.97Å; K83-H85 VanDerWaalsContact C-N 3.31Å; H85-H93 HydrophobicContact CB-CB 4.2Å; H85-A94 CarbonylContact C-O 3.54Å; H85-A94 WeakPolarHBondContact CA-O 3.25Å; H85-A94 WeakPolarHBondContact CB-O 3.49Å
86F94Very high91.1Very high44 Ų4460.6 Ų60.619%0.19332%0.324CS..EExtended strand (participates in β ladder)trans-76.6148.3174-58.5-79.9000110.8F63 M78 S79 V80 H93 A94 P95 V97 V100F63-F86 HydrophobicContact CD2-CD1 4.14Å; F63-F86 AromaticContact CD2-CE1 3.66Å; F63-F86 HydrophobicContact CD2-CE1 3.66Å; F63-F86 HydrophobicContact CD2-CZ 4.14Å; F63-F86 AromaticContact CE2-CE1 3.85Å; F63-F86 HydrophobicContact CE2-CE1 3.85Å; F63-F86 AromaticContact CE2-CZ 3.84Å; F63-F86 HydrophobicContact CE2-CZ 3.84Å; M78-F86 HydrophobicContact CE-CB 3.83Å; S79-F86 CarbonylContact O-C 3.59Å; S79-F86 WeakPolarHBondContact O-CA 3.43Å; V80-F86 HydrophobicContact CG2-CD1 3.69Å; V80-F86 HydrophobicContact CG2-CE1 3.74Å; F86-H93 WeakPolarHBondContact O-CA 3.3Å; F86-A94 PolarHBondContact N-O 3.01Å; F86-A94 PolarHBondContact O-N 2.94Å; F86-P95 VanDerWaalsContact CD2-O 3.23Å; F86-P95 WeakPolarHBondContact CD2-O 3.47Å; F86-P95 VanDerWaalsContact CE2-O 3.27Å; F86-P95 WeakPolarHBondContact CE2-O 3.39Å; F86-V97 HydrophobicContact CB-CG2 4.33Å; F86-V97 HydrophobicContact CD1-CG2 4.01Å; F86-V97 HydrophobicContact CD2-CG2 3.71Å; F86-V97 HydrophobicContact CE1-CG2 4.26Å; F86-V97 HydrophobicContact CE2-CG2 3.97Å; F86-V97 HydrophobicContact CG-CG2 3.74Å; F86-V97 HydrophobicContact CZ-CG2 4.24Å; F86-V100 HydrophobicContact CB-CG2 4.05Å; F86-V100 WeakPolarHBondContact O-CG2 3.49Å
87Y93.3Very high91.2Very high39 Ų3960.1 Ų60.115%0.15332%0.322CS..EExtended strand (participates in β ladder)trans-153.5160.5170.568.1-86.9000111.9S79 D81 N90 F92 H93S79-Y87 VanDerWaalsContact CB-CE1 3.46Å; S79-Y87 WeakPolarHBondContact CB-OH 3.39Å; S79-Y87 PolarHBondContact N-O 3.36Å; S79-Y87 WeakPolarHBondContact O-CD1 3.49Å; S79-Y87 PolarHBondContact O-N 2.82Å; D81-Y87 HydrophobicContact CB-CD1 4.3Å; D81-Y87 HydrophobicContact CB-CE1 4.09Å; Y87-N90 WeakPolarHBondContact CE2-OD1 3.4Å; Y87-F92 VanDerWaalsContact CB-O 3.29Å; Y87-F92 WeakPolarHBondContact CB-O 3.27Å; Y87-H93 AromaticContact CD1-CE1 3.2Å; Y87-H93 WeakPolarHBondContact CD1-CE1 3.37Å; Y87-H93 AromaticContact CD1-ND1 3.52Å; Y87-H93 AromaticContact CD1-NE2 3.79Å; Y87-H93 AromaticContact CD2-NE2 3.84Å; Y87-H93 AromaticContact CE1-CE1 3.6Å; Y87-H93 AromaticContact CG-CD2 3.96Å; Y87-H93 AromaticContact CG-CE1 3.42Å; Y87-H93 VanDerWaalsContact CG-CE1 3.42Å; Y87-H93 AromaticContact CG-ND1 3.87Å; Y87-H93 AromaticContact CG-NE2 3.48Å
88L91Very high91.5Very high1 Ų158 Ų581%0.00531%0.311CS..SBendtrans-121.9148.9168.1-75.4161.9000108.3V65 I76 M78 N90 S91 V100 I101 L111V65-L88 HydrophobicContact CG2-CD1 3.67Å; V65-L88 HydrophobicContact CG2-CD2 4.34Å; I76-L88 HydrophobicContact CB-CD2 4.47Å; I76-L88 HydrophobicContact CG2-CD2 3.76Å; M78-L88 HydrophobicContact CB-CD2 4.42Å; M78-L88 HydrophobicContact CE-CD1 4.25Å; M78-L88 HydrophobicContact CE-CG 4.18Å; M78-L88 HydrophobicContact CG-CD1 4.29Å; M78-L88 HydrophobicContact CG-CD2 3.72Å; M78-L88 HydrophobicContact CG-CG 3.91Å; L88-N90 PolarHBondContact O-N 2.89Å; L88-S91 PolarHBondContact O-N 2.91Å; L88-V100 HydrophobicContact CB-CG1 4.37Å; L88-V100 HydrophobicContact CD1-CG1 4.25Å; L88-V100 HydrophobicContact CG-CG1 4.33Å; L88-I101 HydrophobicContact CD1-CD1 4.04Å; L88-L111 HydrophobicContact CB-CD2 4.06Å; L88-L111 HydrophobicContact CD1-CD2 3.85Å; L88-L111 HydrophobicContact CG-CD2 4.38Å
89A81.5Confident91.7Very high16 Ų1660.6 Ų60.613%0.13233%0.325CS..THydrogen-bonded Turntrans57.521.3168.700000115.9S91 S112A89-S91 PolarHBondContact O-N 2.89Å; A89-S112 WeakPolarHBondContact CA-O 3.48Å; A89-S112 VanDerWaalsContact CA-OG 3.32Å; A89-S112 WeakPolarHBondContact CA-OG 3.43Å; A89-S112 WeakPolarHBondContact CB-O 3.18Å; A89-S112 VanDerWaalsContact CB-OG 3.23Å; A89-S112 WeakPolarHBondContact CB-OG 3.47Å; A89-S112 PolarHBondContact O-OG 2.8Å
90N81.9Confident91.9Very high114 Ų11458.1 Ų58.161%0.6131%0.308SS*.THydrogen-bonded Turntrans49.231.7-169.6-62.8-50.1000113.7Y87 L88Y87-N90 WeakPolarHBondContact CE2-OD1 3.4Å; L88-N90 PolarHBondContact O-N 2.89Å
91S83.3Confident92.2Very high53 Ų5354.4 Ų54.437%0.37129%0.286SS..SBendtrans-95-81.8-174.21750000112.3L88 A89L88-S91 PolarHBondContact O-N 2.91Å; A89-S91 PolarHBondContact O-N 2.89Å
92F92.3Very high92.3Very high75 Ų7554.3 Ų54.333%0.32928%0.284SS..  trans-117.5131.7-172.7176.6-103.4000110Y87 A94 D99 H103Y87-F92 VanDerWaalsContact CB-O 3.29Å; Y87-F92 WeakPolarHBondContact CB-O 3.27Å; F92-A94 HydrophobicContact CD1-CB 4.44Å; F92-A94 HydrophobicContact CE1-CB 3.73Å; F92-A94 HydrophobicContact CZ-CB 4.24Å; F92-D99 HydrophobicContact CE1-CB 4.37Å; F92-H103 HydrophobicContact CB-CB 4.32Å; F92-H103 WeakPolarHBondContact CB-CD2 3.38Å; F92-H103 HydrophobicContact CD1-CB 3.53Å; F92-H103 AromaticContact CD1-CG 3.65Å; F92-H103 AromaticContact CD2-ND1 3.89Å; F92-H103 HydrophobicContact CE1-CB 4.02Å; F92-H103 HydrophobicContact CG-CB 4.02Å; F92-H103 AromaticContact CG-CD2 3.89Å; F92-H103 AromaticContact CG-CG 3.58Å; F92-H103 AromaticContact CG-ND1 3.67Å
93H94.9Very high92.5Very high68 Ų6848 Ų4832%0.31525%0.249SC..EExtended strand (participates in β ladder)trans-111.5127.1-175.1-69.9-127.3000109.8D81 H85 F86 Y87D81-H93 IonicContact OD2-CE1 3.97Å; D81-H93 IonicContact OD2-CG 3.78Å; D81-H93 IonicContact OD2-ND1 2.81Å; D81-H93 PolarHBondContact OD2-ND1 2.84Å; H85-H93 HydrophobicContact CB-CB 4.2Å; F86-H93 WeakPolarHBondContact O-CA 3.3Å; Y87-H93 AromaticContact CD1-CE1 3.2Å; Y87-H93 WeakPolarHBondContact CD1-CE1 3.37Å; Y87-H93 AromaticContact CD1-ND1 3.52Å; Y87-H93 AromaticContact CD1-NE2 3.79Å; Y87-H93 AromaticContact CD2-NE2 3.84Å; Y87-H93 AromaticContact CE1-CE1 3.6Å; Y87-H93 AromaticContact CG-CD2 3.96Å; Y87-H93 AromaticContact CG-CE1 3.42Å; Y87-H93 VanDerWaalsContact CG-CE1 3.42Å; Y87-H93 AromaticContact CG-ND1 3.87Å; Y87-H93 AromaticContact CG-NE2 3.48Å
94A94.9Very high92.6Very high5 Ų540.1 Ų40.14%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-145153.6176.600000112.6H85 F86 F92 E96 D99 V100H85-A94 CarbonylContact C-O 3.54Å; H85-A94 WeakPolarHBondContact CA-O 3.25Å; H85-A94 WeakPolarHBondContact CB-O 3.49Å; F86-A94 PolarHBondContact N-O 3.01Å; F86-A94 PolarHBondContact O-N 2.94Å; F92-A94 HydrophobicContact CD1-CB 4.44Å; F92-A94 HydrophobicContact CE1-CB 3.73Å; F92-A94 HydrophobicContact CZ-CB 4.24Å; A94-E96 VanDerWaalsContact C-N 3.28Å; A94-E96 PolarHBondContact O-N 3.02Å; A94-D99 HydrophobicContact CB-CB 3.74Å; A94-V100 HydrophobicContact CB-CG2 3.97Å
95P93.4Very high92.8Very high73 Ų7339.5 Ų39.547%0.47420%0.203SC..SBendtrans-61.8-33.6175.3-18.728.5000113.7F86F86-P95 VanDerWaalsContact CD2-O 3.23Å; F86-P95 WeakPolarHBondContact CD2-O 3.47Å; F86-P95 VanDerWaalsContact CE2-O 3.27Å; F86-P95 WeakPolarHBondContact CE2-O 3.39Å
96E94.1Very high92.9Very high58 Ų5842.6 Ų42.627%0.27122%0.221SC..SBendtrans-104.8135.1-179.5-66.1-56.2150.200111.5A19 A94 Y98 D99A19-E96 HydrophobicContact CB-CB 4.39Å; A19-E96 HydrophobicContact CB-CG 3.42Å; A19-E96 VanDerWaalsContact CB-CG 3.42Å; A94-E96 VanDerWaalsContact C-N 3.28Å; A94-E96 PolarHBondContact O-N 3.02Å; E96-Y98 PolarHBondContact O-N 2.98Å; E96-D99 PolarHBondContact O-N 3.49Å
97V95Very high92.9Very high1 Ų145.2 Ų45.21%0.00624%0.237CC..Hα-helixtrans-56.5-38.3175.2171.40000111.4I22 V51 F63 M78 F86 D99 V100 I101I22-V97 HydrophobicContact CB-CB 4.09Å; I22-V97 HydrophobicContact CB-CG1 4.49Å; I22-V97 HydrophobicContact CD1-CB 4.22Å; I22-V97 HydrophobicContact CD1-CG1 3.81Å; I22-V97 HydrophobicContact CG1-CB 4.02Å; I22-V97 HydrophobicContact CG1-CG1 3.87Å; V51-V97 HydrophobicContact CG1-CG1 4.26Å; F63-V97 HydrophobicContact CD1-CG1 4.42Å; F63-V97 HydrophobicContact CD1-CG2 4.14Å; F63-V97 HydrophobicContact CD2-CG2 3.49Å; F63-V97 VanDerWaalsContact CD2-CG2 3.49Å; F63-V97 HydrophobicContact CE1-CG2 4.21Å; F63-V97 HydrophobicContact CE2-CG2 3.57Å; F63-V97 HydrophobicContact CG-CG2 3.79Å; F63-V97 HydrophobicContact CZ-CG2 3.94Å; M78-V97 HydrophobicContact CE-CB 4.46Å; M78-V97 HydrophobicContact CE-CG1 3.98Å; M78-V97 HydrophobicContact CE-CG2 4.34Å; M78-V97 HydrophobicContact SD-CB 4.46Å; M78-V97 HydrophobicContact SD-CG1 3.61Å; M78-V97 HydrophobicContact SD-CG2 4.19Å; F86-V97 HydrophobicContact CB-CG2 4.33Å; F86-V97 HydrophobicContact CD1-CG2 4.01Å; F86-V97 HydrophobicContact CD2-CG2 3.71Å; F86-V97 HydrophobicContact CE1-CG2 4.26Å; F86-V97 HydrophobicContact CE2-CG2 3.97Å; F86-V97 HydrophobicContact CG-CG2 3.74Å; F86-V97 HydrophobicContact CZ-CG2 4.24Å; V97-D99 VanDerWaalsContact C-N 3.29Å; V97-D99 PolarHBondContact O-N 3.45Å; V97-V100 PolarHBondContact O-N 2.77Å; V97-I101 HydrophobicContact CG1-CG1 3.97Å; V97-I101 VanDerWaalsContact O-CG1 3.32Å; V97-I101 WeakPolarHBondContact O-CG1 3.46Å; V97-I101 PolarHBondContact O-N 3.29Å
98Y96.1Very high92.9Very high61 Ų6150.4 Ų50.424%0.23926%0.261CS..Hα-helixtrans-52.6-47.2178.1174-95.7000112.2I20 C25 F27 E96 V100 I101 M102I20-Y98 HydrophobicContact CB-CD1 3.97Å; I20-Y98 HydrophobicContact CB-CD2 4.42Å; I20-Y98 HydrophobicContact CB-CE1 4.27Å; I20-Y98 HydrophobicContact CB-CG 4.05Å; I20-Y98 HydrophobicContact CD1-CD1 4.41Å; I20-Y98 HydrophobicContact CD1-CE1 3.83Å; I20-Y98 HydrophobicContact CD1-CE2 4.3Å; I20-Y98 HydrophobicContact CG1-CD1 4.42Å; I20-Y98 HydrophobicContact CG1-CE1 4.28Å; I20-Y98 HydrophobicContact CG2-CD2 4.46Å; I20-Y98 WeakPolarHBondContact O-CB 3.37Å; C25-Y98 WeakPolarHBondContact SG-CD2 3.35Å; F27-Y98 HydrophobicContact CE1-CD2 4.4Å; F27-Y98 HydrophobicContact CE1-CE2 4.43Å; F27-Y98 AromaticContact CZ-CD2 3.96Å; F27-Y98 HydrophobicContact CZ-CD2 3.96Å; F27-Y98 HydrophobicContact CZ-CE2 4.39Å; E96-Y98 PolarHBondContact O-N 2.98Å; Y98-V100 VanDerWaalsContact C-N 3.33Å; Y98-V100 PolarHBondContact O-N 2.93Å; Y98-I101 PolarHBondContact O-N 3.06Å; Y98-M102 HydrophobicContact CD1-CG 4.23Å; Y98-M102 HydrophobicContact CD2-CE 4.18Å; Y98-M102 HydrophobicContact CD2-CG 4.03Å; Y98-M102 HydrophobicContact CE1-CG 3.82Å; Y98-M102 HydrophobicContact CE2-CE 3.76Å; Y98-M102 HydrophobicContact CE2-CG 3.63Å; Y98-M102 HydrophobicContact CE2-SD 4.24Å; Y98-M102 HydrophobicContact CG-CG 4.33Å; Y98-M102 WeakPolarHBondContact O-CB 3.36Å; Y98-M102 VanDerWaalsContact O-CG 3.31Å; Y98-M102 WeakPolarHBondContact O-CG 3.47Å; Y98-M102 PolarHBondContact O-N 3.36Å
99D95.6Very high92.9Very high60 Ų6052 Ų5232%0.32127%0.27SS..Hα-helixtrans-66.8-37.2-176.5-68-36.1000111.4F92 A94 E96 V97 H103F92-D99 HydrophobicContact CE1-CB 4.37Å; A94-D99 HydrophobicContact CB-CB 3.74Å; E96-D99 PolarHBondContact O-N 3.49Å; V97-D99 VanDerWaalsContact C-N 3.29Å; V97-D99 PolarHBondContact O-N 3.45Å; D99-H103 VanDerWaalsContact O-CB 3.29Å; D99-H103 WeakPolarHBondContact O-CB 3.29Å; D99-H103 PolarHBondContact O-N 3.28Å
100V95.6Very high93.4Very high0 Ų053.6 Ų53.60%028%0.279CS..Hα-helixtrans-63.3-50.6174.2-176.20000110.5M78 F86 L88 A94 V97 Y98 M102 H103 H104M78-V100 HydrophobicContact CE-CB 3.83Å; M78-V100 HydrophobicContact CE-CG1 3.72Å; M78-V100 HydrophobicContact CE-CG2 4.19Å; F86-V100 HydrophobicContact CB-CG2 4.05Å; F86-V100 WeakPolarHBondContact O-CG2 3.49Å; L88-V100 HydrophobicContact CB-CG1 4.37Å; L88-V100 HydrophobicContact CD1-CG1 4.25Å; L88-V100 HydrophobicContact CG-CG1 4.33Å; A94-V100 HydrophobicContact CB-CG2 3.97Å; V97-V100 PolarHBondContact O-N 2.77Å; Y98-V100 VanDerWaalsContact C-N 3.33Å; Y98-V100 PolarHBondContact O-N 2.93Å; V100-M102 PolarHBondContact O-N 2.96Å; V100-H103 WeakPolarHBondContact O-CB 3.38Å; V100-H103 PolarHBondContact O-N 3.31Å; V100-H104 PolarHBondContact O-CD2 2.84Å; V100-H104 VanDerWaalsContact O-CD2 3.29Å; V100-H104 PolarHBondContact O-N 3.37Å; V100-H104 VanDerWaalsContact O-N 3.16Å
101I96.2Very high93.6Very high0 Ų048.2 Ų48.20%025%0.25CS..Hα-helixtrans-59.8-48.7-179.4-64.6-64.9000110.6F27 F49 V51 V65 L88 V97 Y98 H103 H104 V105 I126F27-I101 HydrophobicContact CE2-CG2 3.97Å; F27-I101 HydrophobicContact CZ-CG2 4.27Å; F49-I101 HydrophobicContact CE2-CG2 3.62Å; F49-I101 HydrophobicContact CZ-CG2 3.79Å; V51-I101 HydrophobicContact CG2-CD1 3.72Å; V51-I101 HydrophobicContact CG2-CG1 3.96Å; V65-I101 HydrophobicContact CG2-CD1 3.49Å; V65-I101 VanDerWaalsContact CG2-CD1 3.49Å; L88-I101 HydrophobicContact CD1-CD1 4.04Å; V97-I101 HydrophobicContact CG1-CG1 3.97Å; V97-I101 VanDerWaalsContact O-CG1 3.32Å; V97-I101 WeakPolarHBondContact O-CG1 3.46Å; V97-I101 PolarHBondContact O-N 3.29Å; Y98-I101 PolarHBondContact O-N 3.06Å; I101-H103 VanDerWaalsContact C-N 3.3Å; I101-H103 PolarHBondContact O-N 3.31Å; I101-H104 PolarHBondContact O-N 2.78Å; I101-H104 VanDerWaalsContact O-N 3.17Å; I101-V105 HydrophobicContact CG2-CG2 4.31Å; I101-V105 WeakPolarHBondContact O-CG2 3.45Å; I101-V105 PolarHBondContact O-N 2.92Å; I101-I126 HydrophobicContact CD1-CD1 4.24Å; I101-I126 HydrophobicContact CG2-CD1 4.24Å
102M95.4Very high92.9Very high32 Ų3247.7 Ų47.716%0.15825%0.247CC..Hα-helixtrans-67.7-30.6-179.3-67.2-58.5143.700112.5F27 Y98 V100 N106F27-M102 HydrophobicContact CD1-CE 4.23Å; F27-M102 HydrophobicContact CE1-CE 3.26Å; F27-M102 HydrophobicContact CE2-CE 4.37Å; F27-M102 HydrophobicContact CZ-CE 3.35Å; Y98-M102 HydrophobicContact CD1-CG 4.23Å; Y98-M102 HydrophobicContact CD2-CE 4.18Å; Y98-M102 HydrophobicContact CD2-CG 4.03Å; Y98-M102 HydrophobicContact CE1-CG 3.82Å; Y98-M102 HydrophobicContact CE2-CE 3.76Å; Y98-M102 HydrophobicContact CE2-CG 3.63Å; Y98-M102 HydrophobicContact CE2-SD 4.24Å; Y98-M102 HydrophobicContact CG-CG 4.33Å; Y98-M102 WeakPolarHBondContact O-CB 3.36Å; Y98-M102 VanDerWaalsContact O-CG 3.31Å; Y98-M102 WeakPolarHBondContact O-CG 3.47Å; Y98-M102 PolarHBondContact O-N 3.36Å; V100-M102 PolarHBondContact O-N 2.96Å; M102-N106 WeakPolarHBondContact O-CB 3.33Å; M102-N106 PolarHBondContact O-N 3.44Å; M102-N106 PolarHBondContact O-ND2 3.32Å
103H94.8Very high91.3Very high47 Ų4747.8 Ų47.822%0.21825%0.254CS..Hα-helixtrans-59.7-47.8170.7177.788.2000111.4F92 D99 V100 I101 N107F92-H103 HydrophobicContact CB-CB 4.32Å; F92-H103 WeakPolarHBondContact CB-CD2 3.38Å; F92-H103 HydrophobicContact CD1-CB 3.53Å; F92-H103 AromaticContact CD1-CG 3.65Å; F92-H103 AromaticContact CD2-ND1 3.89Å; F92-H103 HydrophobicContact CE1-CB 4.02Å; F92-H103 HydrophobicContact CG-CB 4.02Å; F92-H103 AromaticContact CG-CD2 3.89Å; F92-H103 AromaticContact CG-CG 3.58Å; F92-H103 AromaticContact CG-ND1 3.67Å; D99-H103 VanDerWaalsContact O-CB 3.29Å; D99-H103 WeakPolarHBondContact O-CB 3.29Å; D99-H103 PolarHBondContact O-N 3.28Å; V100-H103 WeakPolarHBondContact O-CB 3.38Å; V100-H103 PolarHBondContact O-N 3.31Å; I101-H103 VanDerWaalsContact C-N 3.3Å; I101-H103 PolarHBondContact O-N 3.31Å; H103-N107 PolarHBondContact ND1-ND2 2.74Å; H103-N107 VanDerWaalsContact O-CB 3.31Å; H103-N107 WeakPolarHBondContact O-CB 3.43Å; H103-N107 PolarHBondContact O-N 2.74Å; H103-N107 VanDerWaalsContact O-N 3.09Å; H103-N107 PolarHBondContact O-ND2 2.92Å
104H95.2Very high89.3Confident1 Ų145 Ų451%0.00524%0.243CC..Hα-helixtrans-65.7-43.7178.6-81.6-86.5000112.7V100 I101 K108 V109 I126V100-H104 PolarHBondContact O-CD2 2.84Å; V100-H104 VanDerWaalsContact O-CD2 3.29Å; V100-H104 PolarHBondContact O-N 3.37Å; V100-H104 VanDerWaalsContact O-N 3.16Å; I101-H104 PolarHBondContact O-N 2.78Å; I101-H104 VanDerWaalsContact O-N 3.17Å; H104-K108 VanDerWaalsContact O-CA 3.28Å; H104-K108 WeakPolarHBondContact O-CA 3.04Å; H104-K108 PolarHBondContact O-N 3.05Å; H104-V109 PolarHBondContact ND1-O 2.85Å; H104-V109 PolarHBondContact O-N 3.23Å; H104-V109 VanDerWaalsContact O-N 3.17Å; H104-I126 HydrophobicContact CB-CD1 3.79Å; H104-I126 HydrophobicContact CB-CG1 3.9Å
105V95.9Very high87.3Confident29 Ų2950 Ų5018%0.17627%0.273CS..Hα-helixtrans-63.9-50.5178.51730000111.4F49 I101 I126F49-V105 HydrophobicContact CE1-CG2 3.73Å; F49-V105 HydrophobicContact CZ-CG2 3.68Å; I101-V105 HydrophobicContact CG2-CG2 4.31Å; I101-V105 WeakPolarHBondContact O-CG2 3.45Å; I101-V105 PolarHBondContact O-N 2.92Å; V105-I126 HydrophobicContact CG2-CB 4.47Å; V105-I126 HydrophobicContact CG2-CD1 4.03Å; V105-I126 HydrophobicContact CG2-CG1 3.92Å
106N95.9Very high85.3Confident118 Ų11848.7 Ų48.763%0.63126%0.262SS*.Hα-helixtrans-73.7-34.4-172.7-67-32000112.9M102M102-N106 WeakPolarHBondContact O-CB 3.33Å; M102-N106 PolarHBondContact O-N 3.44Å; M102-N106 PolarHBondContact O-ND2 3.32Å
107N95.2Very high83.6Confident99 Ų9951.4 Ų51.453%0.52928%0.283SS..Hα-helixtrans-99.11.2-177.5-57.3-74.4000113.1H103 V109H103-N107 PolarHBondContact ND1-ND2 2.74Å; H103-N107 VanDerWaalsContact O-CB 3.31Å; H103-N107 WeakPolarHBondContact O-CB 3.43Å; H103-N107 PolarHBondContact O-N 2.74Å; H103-N107 VanDerWaalsContact O-N 3.09Å; H103-N107 PolarHBondContact O-ND2 2.92Å; N107-V109 HydrophobicContact CB-CG2 3.87Å; N107-V109 PolarHBondContact O-N 2.84Å
108K92.6Very high82Confident148 Ų14854.5 Ų54.564%0.64332%0.315SS*.THydrogen-bonded Turntrans5143.7-176.5-57.9-177.7-179.4-179.40112.6H104 P110 L125H104-K108 VanDerWaalsContact O-CA 3.28Å; H104-K108 WeakPolarHBondContact O-CA 3.04Å; H104-K108 PolarHBondContact O-N 3.05Å; K108-P110 WeakPolarHBondContact O-CD 3.09Å; K108-L125 HydrophobicContact CB-CD2 4.22Å; K108-L125 VanDerWaalsContact O-CD2 3.27Å; K108-L125 WeakPolarHBondContact O-CD2 3.42Å
109V92.1Very high80.3Confident34 Ų3456.4 Ų56.421%0.20633%0.328CS..  trans-80.6120.2177.9179.80000108.4H104 N107H104-V109 PolarHBondContact ND1-O 2.85Å; H104-V109 PolarHBondContact O-N 3.23Å; H104-V109 VanDerWaalsContact O-N 3.17Å; N107-V109 HydrophobicContact CB-CG2 3.87Å; N107-V109 PolarHBondContact O-N 2.84Å
110P91Very high79Confident50 Ų5060.3 Ų60.333%0.32534%0.342SS..  trans-59.8144.8177.5-23.634.3000112.6K108 S112 T122 L124 L125K108-P110 WeakPolarHBondContact O-CD 3.09Å; P110-S112 PolarHBondContact O-N 2.88Å; P110-T122 VanDerWaalsContact CB-O 3.27Å; P110-T122 WeakPolarHBondContact CB-O 3.27Å; P110-L124 CarbonylContact C-O 3.5Å; P110-L124 WeakPolarHBondContact CA-O 2.96Å; P110-L125 HydrophobicContact CB-CD2 4.47Å; P110-L125 HydrophobicContact CG-CD2 4.12Å
111L87.2Confident78Confident0 Ų061.4 Ų61.40%035%0.347CS..  trans-71.884.7165.3-56.1-173.9000107.6V65 V67 I76 L88 T113 L124 I126V65-L111 HydrophobicContact CG1-CD1 4.17Å; V67-L111 HydrophobicContact CG1-CD1 4.37Å; I76-L111 HydrophobicContact CB-CD1 4.38Å; I76-L111 HydrophobicContact CG1-CD1 3.95Å; L88-L111 HydrophobicContact CB-CD2 4.06Å; L88-L111 HydrophobicContact CD1-CD2 3.85Å; L88-L111 HydrophobicContact CG-CD2 4.38Å; L111-T113 PolarHBondContact O-N 2.66Å; L111-L124 HydrophobicContact CB-CB 4.16Å; L111-L124 PolarHBondContact N-O 2.96Å; L111-I126 HydrophobicContact CD1-CG2 3.84Å; L111-I126 HydrophobicContact CG-CG2 4.45Å
112S67.9Low76.9Confident42 Ų4265.5 Ų65.529%0.29437%0.372SS..  trans-61.7133.2168.889.10000108.2A89 P110A89-S112 WeakPolarHBondContact CA-O 3.48Å; A89-S112 VanDerWaalsContact CA-OG 3.32Å; A89-S112 WeakPolarHBondContact CA-OG 3.43Å; A89-S112 WeakPolarHBondContact CB-O 3.18Å; A89-S112 VanDerWaalsContact CB-OG 3.23Å; A89-S112 WeakPolarHBondContact CB-OG 3.47Å; A89-S112 PolarHBondContact O-OG 2.8Å; P110-S112 PolarHBondContact O-N 2.88Å
113T59Low76.5Confident78 Ų7868.4 Ų68.448%0.47939%0.388SS..  trans81.177.3175.372.40000117.2L111L111-T113 PolarHBondContact O-N 2.66Å
114G53Low76.3Confident9 Ų966.2 Ų66.29%0.09338%0.378CS..EExtended strand (participates in β ladder)trans-126129.9148.200000109.8K121G114-K121 PolarHBondContact O-N 2.82Å
115V51.7Low76.2Confident109 Ų10968.7 Ų68.766%0.66139%0.391SS*.EExtended strand (participates in β ladder)trans-98.8111.2159.2-178.40000106.1I119V115-I119 WeakPolarHBondContact CA-O 3.37Å
116N52.5Low76.2Confident47 Ų4767.4 Ų67.425%0.25138%0.383SS..EExtended strand (participates in β ladder)trans-110135.8164.2-164.111.9000106.2V73 W74 G118 I119V73-N116 PolarHBondContact O-ND2 2.9Å; W74-N116 HydrophobicContact CD2-CB 3.96Å; W74-N116 HydrophobicContact CE3-CB 3.34Å; W74-N116 HydrophobicContact CH2-CB 3.64Å; W74-N116 HydrophobicContact CZ2-CB 4.22Å; W74-N116 HydrophobicContact CZ3-CB 3.18Å; N116-G118 PolarHBondContact O-N 2.86Å; N116-I119 PolarHBondContact N-O 3.29Å; N116-I119 PolarHBondContact O-N 2.83Å
117T58.1Low76.2Confident114 Ų11464.6 Ų64.670%0.69937%0.368SS*.THydrogen-bonded Turntrans5120.8178.358.20000116.3
118G60Low76.4Confident67 Ų6764.5 Ų64.569%0.69136%0.361SS*.THydrogen-bonded Turntrans89.4-5.2-176.100000115N116N116-G118 PolarHBondContact O-N 2.86Å
119I61.9Low76.6Confident100 Ų10060.4 Ų60.451%0.51335%0.349SS..EExtended strand (participates in β ladder)trans-94125.3178.6-57.1174.8000109.2W74 V115 N116W74-I119 HydrophobicContact CH2-CB 4.39Å; W74-I119 HydrophobicContact CH2-CG2 4.44Å; V115-I119 WeakPolarHBondContact CA-O 3.37Å; N116-I119 PolarHBondContact N-O 3.29Å; N116-I119 PolarHBondContact O-N 2.83Å
120K68.2Low76.8Confident142 Ų14260.1 Ų60.162%0.61735%0.346SS*.EExtended strand (participates in β ladder)trans-88.1112.4172.5-171.5179-178.1-179.50108.7T122K120-T122 HydrophobicContact CG-CG2 4.27Å
121K73.4Confident77Confident24 Ų2463.6 Ų63.610%0.10436%0.358CS..EExtended strand (participates in β ladder)trans-100.5133.7171.6-160.7159.4-179.3167.10109.6D69 E70 W74 G114 D123 L124D69-K121 WeakPolarHBondContact OD2-CE 3.45Å; D69-K121 IonicContact OD2-NZ 2.66Å; D69-K121 PolarHBondContact OD2-NZ 2.6Å; E70-K121 IonicContact OE2-NZ 3.34Å; E70-K121 PolarHBondContact OE2-NZ 3.27Å; W74-K121 HydrophobicContact CE3-CB 4.37Å; W74-K121 HydrophobicContact CH2-CB 3.73Å; W74-K121 HydrophobicContact CH2-CD 4.38Å; W74-K121 HydrophobicContact CZ2-CB 4.11Å; W74-K121 HydrophobicContact CZ2-CD 3.89Å; W74-K121 HydrophobicContact CZ3-CB 3.84Å; G114-K121 PolarHBondContact O-N 2.82Å; K121-D123 VanDerWaalsContact CE-OD1 3.27Å; K121-D123 WeakPolarHBondContact CE-OD1 3.5Å; K121-D123 WeakPolarHBondContact CG-OD1 3.27Å; K121-L124 HydrophobicContact CB-CD1 4.25Å; K121-L124 HydrophobicContact CB-CG 4.11Å; K121-L124 HydrophobicContact CD-CD2 3.72Å; K121-L124 HydrophobicContact CD-CG 4.04Å; K121-L124 HydrophobicContact CG-CD2 4.15Å; K121-L124 HydrophobicContact CG-CG 3.89Å
122T74.3Confident77.3Confident85 Ų8566.8 Ų66.852%0.52137%0.37SS..SBendtrans-119-6-171.852.60000114P110 K120P110-T122 VanDerWaalsContact CB-O 3.27Å; P110-T122 WeakPolarHBondContact CB-O 3.27Å; K120-T122 HydrophobicContact CG-CG2 4.27Å
123D86.2Confident78.4Confident94 Ų9466.5 Ų66.550%0.50337%0.368SS..  trans-115.312.8-174.460.3-22.1000112.9K121 L125K121-D123 VanDerWaalsContact CE-OD1 3.27Å; K121-D123 WeakPolarHBondContact CE-OD1 3.5Å; K121-D123 WeakPolarHBondContact CG-OD1 3.27Å; D123-L125 PolarHBondContact O-N 2.78Å; D123-L125 VanDerWaalsContact O-N 3.07Å
124L90.7Very high79.9Confident0 Ų069.3 Ų69.30%038%0.38CS..  trans-59.6113176.6-73.4173.8000110.9D69 W74 I76 P110 L111 K121D69-L124 HydrophobicContact CB-CD2 3.74Å; W74-L124 HydrophobicContact CB-CD1 3.87Å; W74-L124 HydrophobicContact CB-CD2 4.44Å; W74-L124 HydrophobicContact CD2-CD1 3.8Å; W74-L124 HydrophobicContact CD2-CD2 4.22Å; W74-L124 HydrophobicContact CE3-CD1 3.84Å; W74-L124 HydrophobicContact CG-CD1 3.78Å; W74-L124 HydrophobicContact CG-CD2 3.9Å; I76-L124 HydrophobicContact CD1-CD1 4.3Å; P110-L124 CarbonylContact C-O 3.5Å; P110-L124 WeakPolarHBondContact CA-O 2.96Å; L111-L124 HydrophobicContact CB-CB 4.16Å; L111-L124 PolarHBondContact N-O 2.96Å; K121-L124 HydrophobicContact CB-CD1 4.25Å; K121-L124 HydrophobicContact CB-CG 4.11Å; K121-L124 HydrophobicContact CD-CD2 3.72Å; K121-L124 HydrophobicContact CD-CG 4.04Å; K121-L124 HydrophobicContact CG-CD2 4.15Å; K121-L124 HydrophobicContact CG-CG 3.89Å
125L94.1Very high81.8Confident53 Ų5370.6 Ų70.628%0.27738%0.383SS..  trans-103.2140.4176.4-69171.6000110.8G47 K108 P110 D123 I127G47-L125 VanDerWaalsContact CA-O 3.27Å; G47-L125 WeakPolarHBondContact CA-O 3.38Å; K108-L125 HydrophobicContact CB-CD2 4.22Å; K108-L125 VanDerWaalsContact O-CD2 3.27Å; K108-L125 WeakPolarHBondContact O-CD2 3.42Å; P110-L125 HydrophobicContact CB-CD2 4.47Å; P110-L125 HydrophobicContact CG-CD2 4.12Å; D123-L125 PolarHBondContact O-N 2.78Å; D123-L125 VanDerWaalsContact O-N 3.07Å; L125-I127 HydrophobicContact CB-CD1 4.07Å; L125-I127 HydrophobicContact CB-CG1 3.99Å; L125-I127 HydrophobicContact CD1-CD1 4.46Å
126I95.5Very high83.8Confident2 Ų265.8 Ų65.81%0.0135%0.353CS..  trans-102.3123.6165.955.4172.2000109.2F49 V65 V67 I101 H104 V105 L111F49-I126 HydrophobicContact CB-CB 4.13Å; F49-I126 HydrophobicContact CB-CG2 3.68Å; F49-I126 HydrophobicContact CD1-CB 3.61Å; F49-I126 HydrophobicContact CD1-CG2 4.16Å; F49-I126 HydrophobicContact CD2-CB 4.27Å; F49-I126 HydrophobicContact CD2-CD1 4.44Å; F49-I126 HydrophobicContact CD2-CG2 4.28Å; F49-I126 HydrophobicContact CE1-CB 4.02Å; F49-I126 HydrophobicContact CE2-CD1 4.32Å; F49-I126 HydrophobicContact CG-CB 3.74Å; F49-I126 HydrophobicContact CG-CG2 3.78Å; F49-I126 HydrophobicContact CZ-CD1 4.46Å; V65-I126 HydrophobicContact CG1-CG2 3.83Å; V67-I126 HydrophobicContact CB-CG2 4Å; V67-I126 HydrophobicContact CG2-CG2 3.87Å; I101-I126 HydrophobicContact CD1-CD1 4.24Å; I101-I126 HydrophobicContact CG2-CD1 4.24Å; H104-I126 HydrophobicContact CB-CD1 3.79Å; H104-I126 HydrophobicContact CB-CG1 3.9Å; V105-I126 HydrophobicContact CG2-CB 4.47Å; V105-I126 HydrophobicContact CG2-CD1 4.03Å; V105-I126 HydrophobicContact CG2-CG1 3.92Å; L111-I126 HydrophobicContact CD1-CG2 3.84Å; L111-I126 HydrophobicContact CG-CG2 4.45Å
127I96.8Very high85.7Confident60 Ų6063.7 Ų63.731%0.30834%0.341SS..  trans-132.6-49.4-169.2-52.1177.1000110.7G47 L125 P129G47-I127 PolarHBondContact O-N 2.85Å; L125-I127 HydrophobicContact CB-CD1 4.07Å; L125-I127 HydrophobicContact CB-CG1 3.99Å; L125-I127 HydrophobicContact CD1-CD1 4.46Å; I127-P129 WeakPolarHBondContact O-CD 3.49Å
128Y97.4Very high87.1Confident96 Ų9659.9 Ų59.938%0.37632%0.316SS..EExtended strand (participates in β ladder)trans-111.299.3-171.4-50.3-69.6000110.3R45 G47 S48 F49 I130R45-Y128 HydrophobicContact CG-CD2 3.65Å; R45-Y128 HydrophobicContact CG-CE2 3.75Å; G47-Y128 PolarHBondContact O-N 3.19Å; S48-Y128 CarbonylContact C-O 3.1Å; S48-Y128 VanDerWaalsContact CA-O 3.28Å; S48-Y128 WeakPolarHBondContact CA-O 3.31Å; F49-Y128 WeakPolarHBondContact CD1-O 3.36Å; F49-Y128 PolarHBondContact N-O 2.93Å; Y128-I130 PolarHBondContact O-N 2.67Å
129P97.3Very high88.4Confident63 Ų6358.5 Ų58.541%0.40930%0.302SS..EExtended strand (participates in β ladder)trans-63131.1177.125.4-32.1000110F27 F49 I127F27-P129 HydrophobicContact CB-CB 3.76Å; F27-P129 HydrophobicContact CD1-CB 4.11Å; F27-P129 HydrophobicContact CG-CB 4.07Å; F49-P129 VanDerWaalsContact CE1-CA 3.49Å; F49-P129 HydrophobicContact CE1-CB 3.85Å; F49-P129 HydrophobicContact CE1-CG 4.43Å; F49-P129 VanDerWaalsContact CE1-N 3.34Å; F49-P129 HydrophobicContact CZ-CB 3.77Å; I127-P129 WeakPolarHBondContact O-CD 3.49Å
130I97.6Very high89.7Confident27 Ų2759.4 Ų59.414%0.13831%0.308CS..PPolyproline II helixtrans-97.8119.4174.5-59.8-57.1000108.1F27 H29 I40 L41 K44 F49 L50 Y128F27-I130 WeakPolarHBondContact CA-O 3.04Å; H29-I130 PolarHBondContact NE2-O 2.82Å; I40-I130 HydrophobicContact CG2-CG2 3.79Å; L41-I130 HydrophobicContact CD2-CG1 3.94Å; K44-I130 HydrophobicContact CD-CD1 4.32Å; K44-I130 HydrophobicContact CG-CD1 4.19Å; F49-I130 WeakPolarHBondContact O-CB 3.41Å; F49-I130 PolarHBondContact O-N 3.4Å; L50-I130 HydrophobicContact CB-CB 4.48Å; Y128-I130 PolarHBondContact O-N 2.67Å
131E95.3Very high90.8Very high123 Ų12355.2 Ų55.258%0.57529%0.29SS*.PPolyproline II helixtrans-74.6156.5176.9-54.9-164.7136.400111.5T26 H29T26-E131 CarbonylContact O-C 3.57Å; T26-E131 WeakPolarHBondContact O-CA 3.3Å; T26-E131 PolarHBondContact OG1-OE1 2.98Å; H29-E131 PolarHBondContact CE1-O 3.22Å
132R92.9Very high91.8Very high67 Ų6754.8 Ų54.825%0.25329%0.289SS..PPolyproline II helixtrans-54.8144.9172.7-71178.5-64.4-147.11.2111.6T26 Y28 H29 E136 M138 I212T26-R132 PolarHBondContact O-N 3.09Å; Y28-R132 WeakPolarHBondContact O-CD 3.2Å; H29-R132 HydrophobicContact CB-CG 4.45Å; H29-R132 PolarHBondContact NE2-N 2.93Å; R132-E136 HydrophobicContact CB-CB 4.39Å; R132-M138 PolarHBondContact NH1-SD 2.99Å; R132-I212 HydrophobicContact CG-CD1 4.35Å
133S90.6Very high92.8Very high36 Ų3654.7 Ų54.725%0.25229%0.286SS..PPolyproline II helixtrans-82.3157.5174.3-470000111.5W135 E136S133-W135 PolarHBondContact O-N 3.3Å; S133-W135 PolarHBondContact OG-NE1 3.04Å; S133-E136 WeakPolarHBondContact CB-OE1 3.43Å; S133-E136 PolarHBondContact N-OE1 3.44Å; S133-E136 WeakPolarHBondContact O-CB 3.25Å; S133-E136 PolarHBondContact O-N 3.29Å; S133-E136 PolarHBondContact OG-OE1 2.84Å
134D90.5Very high93.3Very high138 Ų13853.9 Ų53.974%0.73828%0.28SS*.THydrogen-bonded Turntrans-60.5-22.1179.4-65.4-30000114.8E136D134-E136 VanDerWaalsContact C-N 3.33Å
135W92.9Very high93.5Very high36 Ų3657.3 Ų57.314%0.13630%0.297CS..THydrogen-bonded Turntrans-84.5-7.8177.562.3-94.8000113.1L32 D36 I40 S133 I137 F207 G209 I210L32-W135 HydrophobicContact CD1-CH2 3.77Å; L32-W135 HydrophobicContact CD1-CZ3 4.5Å; D36-W135 HydrophobicContact CB-CH2 4.29Å; I40-W135 HydrophobicContact CD1-CH2 4.37Å; I40-W135 HydrophobicContact CD1-CZ2 3.85Å; I40-W135 HydrophobicContact CG1-CZ2 4.21Å; S133-W135 PolarHBondContact O-N 3.3Å; S133-W135 PolarHBondContact OG-NE1 3.04Å; W135-I137 PolarHBondContact O-N 3.5Å; W135-F207 HydrophobicContact CB-CE1 3.66Å; W135-F207 HydrophobicContact CB-CZ 4.2Å; W135-F207 HydrophobicContact CE3-CZ 4.28Å; W135-F207 HydrophobicContact CG-CE1 4.2Å; W135-G209 CarbonylContact O-C 3.51Å; W135-G209 WeakPolarHBondContact O-CA 3.37Å; W135-I210 HydrophobicContact CE3-CB 4.43Å; W135-I210 HydrophobicContact CE3-CG1 4.44Å; W135-I210 HydrophobicContact CZ3-CB 4.39Å; W135-I210 HydrophobicContact CZ3-CG1 4.44Å; W135-I210 PolarHBondContact O-N 3.26Å
136E92.9Very high93.5Very high7 Ų760.9 Ų60.93%0.03332%0.323CS..EExtended strand (participates in β ladder)trans-8792.7173.3-64.5175.8-11100108.6H29 R132 S133 D134 I212H29-E136 WeakPolarHBondContact CB-OE2 3.38Å; H29-E136 IonicContact CE1-OE1 3.43Å; H29-E136 IonicContact CG-OE2 2.73Å; H29-E136 IonicContact ND1-OE1 2.61Å; H29-E136 PolarHBondContact ND1-OE1 3.4Å; H29-E136 IonicContact ND1-OE2 2.66Å; H29-E136 PolarHBondContact ND1-OE2 2.96Å; H29-E136 VanDerWaalsContact ND1-OE2 3.1Å; R132-E136 HydrophobicContact CB-CB 4.39Å; S133-E136 WeakPolarHBondContact CB-OE1 3.43Å; S133-E136 PolarHBondContact N-OE1 3.44Å; S133-E136 WeakPolarHBondContact O-CB 3.25Å; S133-E136 PolarHBondContact O-N 3.29Å; S133-E136 PolarHBondContact OG-OE1 2.84Å; D134-E136 VanDerWaalsContact C-N 3.33Å; E136-I212 HydrophobicContact CB-CD1 3.83Å; E136-I212 HydrophobicContact CB-CG1 4.09Å; E136-I212 HydrophobicContact CB-CG2 3.95Å; E136-I212 HydrophobicContact CG-CG2 4.21Å
137I92.5Very high93.5Very high3 Ų368.9 Ų68.92%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-90.9126.9-168.7-59.4169.6000110.2W135 Q141 I142 L162 V208 I210 T211 I212 V220W135-I137 PolarHBondContact O-N 3.5Å; I137-Q141 HydrophobicContact CG2-CB 4.2Å; I137-I142 HydrophobicContact CG2-CD1 3.63Å; I137-I142 HydrophobicContact CG2-CG1 3.75Å; I137-L162 HydrophobicContact CD1-CD1 4.38Å; I137-L162 HydrophobicContact CD1-CD2 3.92Å; I137-L162 HydrophobicContact CG2-CD1 3.52Å; I137-V208 HydrophobicContact CD1-CG1 4.1Å; I137-I210 PolarHBondContact N-O 2.93Å; I137-T211 CarbonylContact O-C 3.5Å; I137-T211 VanDerWaalsContact O-CA 3.29Å; I137-T211 WeakPolarHBondContact O-CA 3.34Å; I137-I212 WeakPolarHBondContact O-CG1 3.28Å; I137-I212 PolarHBondContact O-N 3.35Å; I137-V220 HydrophobicContact CD1-CB 3.82Å; I137-V220 HydrophobicContact CD1-CG1 3.94Å; I137-V220 HydrophobicContact CD1-CG2 3.85Å
138M88.9Confident93.4Very high35 Ų3567 Ų6717%0.17235%0.351CS..  trans-76.9144.4174-63.5-65.2-64.400110.9F30 R132 D140 Q141 I212F30-M138 HydrophobicContact CD2-CE 4.33Å; F30-M138 HydrophobicContact CD2-SD 4.06Å; F30-M138 HydrophobicContact CE1-CE 4.02Å; F30-M138 HydrophobicContact CE2-CE 3.69Å; F30-M138 HydrophobicContact CE2-SD 3.86Å; F30-M138 HydrophobicContact CZ-CE 3.49Å; F30-M138 VanDerWaalsContact CZ-CE 3.49Å; F30-M138 HydrophobicContact CZ-SD 4.28Å; R132-M138 PolarHBondContact NH1-SD 2.99Å; M138-D140 WeakPolarHBondContact CB-OD1 3.33Å; M138-D140 PolarHBondContact O-N 3.41Å; M138-Q141 HydrophobicContact CB-CG 4.11Å; M138-Q141 WeakPolarHBondContact O-CB 3.41Å; M138-Q141 PolarHBondContact O-N 2.98Å; M138-I212 HydrophobicContact CG-CD1 4.45Å; M138-I212 HydrophobicContact SD-CD1 3.45Å; M138-I212 WeakPolarHBondContact SD-CD1 3.26Å; M138-I212 HydrophobicContact SD-CG1 3.83Å
139G86.2Confident93.1Very high38 Ų3866.7 Ų66.739%0.39236%0.356SS..G310 helixtrans-61.7-30.2-177.700000113.8Q141 I142G139-Q141 PolarHBondContact O-N 3.41Å; G139-I142 PolarHBondContact O-N 2.92Å
140D88.8Confident92.7Very high119 Ų11965.4 Ų65.464%0.63635%0.354SS*.G310 helixtrans-73.8-9.7177.164.6-15.7000113.7M138 I142 R163M138-D140 WeakPolarHBondContact CB-OD1 3.33Å; M138-D140 PolarHBondContact O-N 3.41Å; D140-I142 VanDerWaalsContact C-N 3.31Å; D140-R163 PolarHBondContact O-NH2 3.3Å
141Q92.7Very high92.1Very high53 Ų5371.8 Ų71.825%0.24838%0.383CS..G310 helixtrans-82.8-11172-62.2178.6-100.800112.5I137 M138 G139 L162 R163I137-Q141 HydrophobicContact CG2-CB 4.2Å; M138-Q141 HydrophobicContact CB-CG 4.11Å; M138-Q141 WeakPolarHBondContact O-CB 3.41Å; M138-Q141 PolarHBondContact O-N 2.98Å; G139-Q141 PolarHBondContact O-N 3.41Å; Q141-L162 HydrophobicContact CB-CD1 3.8Å; Q141-R163 PolarHBondContact NE2-O 3.19Å; Q141-R163 VanDerWaalsContact NE2-O 3.1Å; Q141-R163 PolarHBondContact O-N 2.91Å
142I94.7Very high90.9Very high16 Ų1668.2 Ų68.28%0.08238%0.379CS..EExtended strand (participates in β ladder)trans-115.2128.3-169.7-58.1-178.7000110.3I137 G139 D140 I144 M161 L162 I171 L173 T211 V220I137-I142 HydrophobicContact CG2-CD1 3.63Å; I137-I142 HydrophobicContact CG2-CG1 3.75Å; G139-I142 PolarHBondContact O-N 2.92Å; D140-I142 VanDerWaalsContact C-N 3.31Å; I142-I144 HydrophobicContact CG2-CD1 4.23Å; I142-I144 HydrophobicContact CG2-CG1 3.5Å; I142-I144 VanDerWaalsContact CG2-CG1 3.5Å; I142-M161 WeakPolarHBondContact CA-O 3.43Å; I142-L162 HydrophobicContact CG1-CD1 3.97Å; I142-I171 HydrophobicContact CD1-CD1 4.4Å; I142-I171 HydrophobicContact CG1-CD1 4.36Å; I142-I171 HydrophobicContact CG2-CD1 4.05Å; I142-L173 HydrophobicContact CD1-CD2 3.86Å; I142-L173 HydrophobicContact CG2-CD1 4.42Å; I142-L173 HydrophobicContact CG2-CD2 3.69Å; I142-T211 HydrophobicContact CD1-CG2 3.54Å; I142-V220 HydrophobicContact CD1-CG2 4.19Å
143D95.3Very high89.9Confident83 Ų8371.3 Ų71.344%0.44440%0.396SS..EExtended strand (participates in β ladder)trans-105.2116.2162.9-58.3-22000109G160 M161 R163D143-G160 CarbonylContact O-C 3.6Å; D143-G160 WeakPolarHBondContact O-CA 3.33Å; D143-M161 PolarHBondContact N-O 3.4Å; D143-M161 PolarHBondContact O-N 2.96Å; D143-R163 IonicContact OD1-CZ 3.47Å; D143-R163 IonicContact OD1-NH1 3.77Å; D143-R163 PolarHBondContact OD1-NH1 3.1Å; D143-R163 IonicContact OD1-NH2 3.77Å; D143-R163 PolarHBondContact OD1-NH2 2.77Å; D143-R163 IonicContact OD2-CZ 3.36Å; D143-R163 IonicContact OD2-NH1 2.88Å; D143-R163 PolarHBondContact OD2-NH1 3.17Å
144I95Very high88.9Confident77 Ų7775.2 Ų75.240%0.39541%0.409SS..EExtended strand (participates in β ladder)trans-97.4131.5-177.1-52.3178.8000109.6I142 Y158 L173 M218I142-I144 HydrophobicContact CG2-CD1 4.23Å; I142-I144 HydrophobicContact CG2-CG1 3.5Å; I142-I144 VanDerWaalsContact CG2-CG1 3.5Å; I144-Y158 HydrophobicContact CG2-CD1 4.27Å; I144-Y158 HydrophobicContact CG2-CG 3.98Å; I144-L173 HydrophobicContact CD1-CD2 4.05Å; I144-L173 HydrophobicContact CG1-CD1 4.25Å; I144-L173 HydrophobicContact CG1-CD2 4.16Å; I144-L173 HydrophobicContact CG2-CD1 4.41Å; I144-M218 HydrophobicContact CD1-CE 3.96Å; I144-M218 HydrophobicContact CD1-SD 3.86Å
145E96.7Very high88.6Confident72 Ų7269.1 Ų69.134%0.33638%0.379SS..EExtended strand (participates in β ladder)trans-71.1137.7170.5-65.9-176.1-160.400110K147 Y158 K159E145-K147 VanDerWaalsContact C-N 3.25Å; E145-K147 PolarHBondContact O-N 2.55Å; E145-Y158 WeakPolarHBondContact O-CD1 3.48Å; E145-K159 HydrophobicContact CB-CB 4.44Å; E145-K159 WeakPolarHBondContact CB-O 3.46Å; E145-K159 HydrophobicContact CG-CB 4.39Å; E145-K159 PolarHBondContact N-O 2.98Å; E145-K159 VanDerWaalsContact OE1-CD 3.3Å; E145-K159 WeakPolarHBondContact OE1-CD 3.28Å; E145-K159 VanDerWaalsContact OE1-CE 3.3Å; E145-K159 WeakPolarHBondContact OE1-CE 3.42Å; E145-K159 IonicContact OE1-NZ 2.82Å; E145-K159 PolarHBondContact OE1-NZ 2.76Å; E145-K159 IonicContact OE2-NZ 2.9Å
146P93.1Very high88.5Confident128 Ų12867.9 Ų67.983%0.83138%0.377SS*.EExtended strand (participates in β ladder)trans-69.3-22.4-171.827-35.6000113.7
147K94.9Very high88.6Confident169 Ų16969.7 Ų69.774%0.73539%0.388SS*.EExtended strand (participates in β ladder)trans-90125.1-178.2-174.3-179175.9-177.10109.9E145E145-K147 VanDerWaalsContact C-N 3.25Å; E145-K147 PolarHBondContact O-N 2.55Å
148A94.3Very high88.8Confident22 Ų2272.3 Ų72.318%0.18240%0.398CS..EExtended strand (participates in β ladder)trans-63.3138.9170.600000110.7G150 E151 A156 V157 Y158A148-G150 VanDerWaalsContact C-N 3.3Å; A148-E151 HydrophobicContact CB-CG 4.14Å; A148-A156 HydrophobicContact CB-CB 4.41Å; A148-V157 CarbonylContact C-O 3.47Å; A148-V157 WeakPolarHBondContact CA-O 3.41Å; A148-Y158 HydrophobicContact CB-CD1 4.22Å; A148-Y158 HydrophobicContact CB-CE1 3.85Å
149L92.8Very high89.2Confident89 Ų8972.6 Ų72.647%0.46640%0.398SS..EExtended strand (participates in β ladder)trans-69.4-34168.4-66.6176.5000110.9V157 K159 Y223L149-V157 WeakPolarHBondContact CB-O 3.07Å; L149-V157 HydrophobicContact CD1-CG1 4.28Å; L149-V157 PolarHBondContact N-O 2.95Å; L149-K159 HydrophobicContact CD1-CB 3.98Å; L149-K159 HydrophobicContact CD2-CB 4.07Å; L149-K159 HydrophobicContact CG-CB 4.07Å; L149-Y223 HydrophobicContact CD1-CD2 4.05Å; L149-Y223 HydrophobicContact CD1-CE2 3.76Å; L149-Y223 HydrophobicContact CD2-CE2 4.32Å
150G87.7Confident89.8Confident36 Ų3670.8 Ų70.837%0.37138%0.38SS..EExtended strand (participates in β ladder)trans-171.9155.7176.300000110.8A148 V157A148-G150 VanDerWaalsContact C-N 3.3Å; G150-V157 PolarHBondContact O-N 3.23Å
151E85.1Confident90.2Very high160 Ų16068.3 Ų68.375%0.74837%0.365SS*.EExtended strand (participates in β ladder)trans-121.1130.4175.6-63.2-178.9-177.300107.9A148 A156A148-E151 HydrophobicContact CB-CG 4.14Å; E151-A156 HydrophobicContact CG-CB 4.03Å
152G71.5Confident90.4Very high48 Ų4866 Ų6650%0.49535%0.354SS..EExtended strand (participates in β ladder)trans-133.1-178177.600000111.1F154 G155G152-F154 PolarHBondContact O-N 3.2Å; G152-F154 VanDerWaalsContact O-N 3.16Å; G152-G155 PolarHBondContact N-O 3.02Å; G152-G155 PolarHBondContact O-N 3.13Å; G152-G155 VanDerWaalsContact O-N 3.07Å; G152-G155 VanDerWaalsContact O-O 3.11Å
153E69.9Low90.5Very high132 Ų13269.8 Ų69.862%0.61737%0.368SS*.THydrogen-bonded Turntrans-63.5-23.5-177.5-65.4-147.213000113.4G155 R307E153-G155 VanDerWaalsContact C-N 3.34Å; E153-R307 IonicContact OE1-CZ 3.67Å; E153-R307 IonicContact OE1-NH1 3.86Å; E153-R307 PolarHBondContact OE1-NH1 3.05Å; E153-R307 IonicContact OE2-CZ 3.1Å; E153-R307 IonicContact OE2-NH1 3.39Å; E153-R307 PolarHBondContact OE2-NH1 3.17Å
154F70.6Confident90.1Very high118 Ų11869.8 Ų69.852%0.51837%0.365SS..THydrogen-bonded Turntrans-87.1-3.4179.1-55.9-69.9000113.7G152G152-F154 PolarHBondContact O-N 3.2Å; G152-F154 VanDerWaalsContact O-N 3.16Å
155G83.2Confident89.8Confident11 Ų1169.8 Ų69.811%0.11338%0.384CS..EExtended strand (participates in β ladder)trans123.8-158.9-176.600000112.8G152 E153 T175G152-G155 PolarHBondContact N-O 3.02Å; G152-G155 PolarHBondContact O-N 3.13Å; G152-G155 VanDerWaalsContact O-N 3.07Å; G152-G155 VanDerWaalsContact O-O 3.11Å; E153-G155 VanDerWaalsContact C-N 3.34Å; G155-T175 WeakPolarHBondContact CA-O 3.49Å
156A92.7Very high89.5Confident10 Ų1074.4 Ų74.48%0.08341%0.411CS..EExtended strand (participates in β ladder)trans-107.6148.2-175.500000111.8A148 E151 Y158 T175A148-A156 HydrophobicContact CB-CB 4.41Å; E151-A156 HydrophobicContact CG-CB 4.03Å; A156-Y158 HydrophobicContact CB-CD2 4.31Å; A156-Y158 HydrophobicContact CB-CE2 3.51Å; A156-T175 PolarHBondContact N-OG1 2.99Å; A156-T175 PolarHBondContact O-N 2.88Å; A156-T175 PolarHBondContact O-OG1 2.89Å
157V95.1Very high89.5Confident44 Ų4473.6 Ų73.627%0.26740%0.399SS..EExtended strand (participates in β ladder)trans-108.3126.1171.5-175.80000108.9A148 L149 G150 A172 L173 K174A148-V157 CarbonylContact C-O 3.47Å; A148-V157 WeakPolarHBondContact CA-O 3.41Å; L149-V157 WeakPolarHBondContact CB-O 3.07Å; L149-V157 HydrophobicContact CD1-CG1 4.28Å; L149-V157 PolarHBondContact N-O 2.95Å; G150-V157 PolarHBondContact O-N 3.23Å; V157-A172 HydrophobicContact CG1-CB 4.08Å; V157-L173 CarbonylContact C-O 3.51Å; V157-L173 VanDerWaalsContact CA-O 3.28Å; V157-L173 WeakPolarHBondContact CA-O 3.45Å; V157-K174 HydrophobicContact CG2-CB 4.37Å; V157-K174 HydrophobicContact CG2-CG 4.27Å
158Y96.3Very high89.6Confident58 Ų5869.9 Ų69.923%0.22739%0.391CS..EExtended strand (participates in β ladder)trans-112.1153.3176.6-63.4-91.9000111I144 E145 A148 A156 A172 L173 T175I144-Y158 HydrophobicContact CG2-CD1 4.27Å; I144-Y158 HydrophobicContact CG2-CG 3.98Å; E145-Y158 WeakPolarHBondContact O-CD1 3.48Å; A148-Y158 HydrophobicContact CB-CD1 4.22Å; A148-Y158 HydrophobicContact CB-CE1 3.85Å; A156-Y158 HydrophobicContact CB-CD2 4.31Å; A156-Y158 HydrophobicContact CB-CE2 3.51Å; Y158-A172 CarbonylContact O-C 3.55Å; Y158-A172 VanDerWaalsContact O-CA 3.26Å; Y158-A172 WeakPolarHBondContact O-CA 3.36Å; Y158-L173 PolarHBondContact N-O 3.06Å; Y158-L173 PolarHBondContact O-N 3.07Å; Y158-T175 HydrophobicContact CD2-CG2 3.77Å; Y158-T175 HydrophobicContact CE2-CG2 3.93Å
159K97.6Very high89.7Confident42 Ų4271.8 Ų71.818%0.18340%0.397CS..EExtended strand (participates in β ladder)trans-85.9148.4164.7-173.5172.1168.1-125.40109.3E145 L149 Y223E145-K159 HydrophobicContact CB-CB 4.44Å; E145-K159 WeakPolarHBondContact CB-O 3.46Å; E145-K159 HydrophobicContact CG-CB 4.39Å; E145-K159 PolarHBondContact N-O 2.98Å; E145-K159 VanDerWaalsContact OE1-CD 3.3Å; E145-K159 WeakPolarHBondContact OE1-CD 3.28Å; E145-K159 VanDerWaalsContact OE1-CE 3.3Å; E145-K159 WeakPolarHBondContact OE1-CE 3.42Å; E145-K159 IonicContact OE1-NZ 2.82Å; E145-K159 PolarHBondContact OE1-NZ 2.76Å; E145-K159 IonicContact OE2-NZ 2.9Å; L149-K159 HydrophobicContact CD1-CB 3.98Å; L149-K159 HydrophobicContact CD2-CB 4.07Å; L149-K159 HydrophobicContact CG-CB 4.07Å; K159-Y223 HydrophobicContact CB-CE2 4.48Å; K159-Y223 HydrophobicContact CD-CD2 4.28Å; K159-Y223 HydrophobicContact CD-CE1 4.11Å; K159-Y223 HydrophobicContact CD-CE2 3.75Å; K159-Y223 HydrophobicContact CG-CD2 4.1Å; K159-Y223 HydrophobicContact CG-CE2 4.02Å; K159-Y223 HydrophobicContact CG-CG 4.5Å
160G97.3Very high89.9Confident0 Ų070.5 Ų70.50%039%0.394CS..EExtended strand (participates in β ladder)trans-158.8-177.917200000113D143 I171D143-G160 CarbonylContact O-C 3.6Å; D143-G160 WeakPolarHBondContact O-CA 3.33Å; G160-I171 PolarHBondContact N-O 2.82Å; G160-I171 WeakPolarHBondContact O-CG1 3.3Å; G160-I171 PolarHBondContact O-N 2.96Å
161M97.8Very high90.4Very high67 Ų6768.8 Ų68.833%0.3338%0.377SS..EExtended strand (participates in β ladder)trans-121.1128.8175.7-62.7-61.8-178.300109.3I142 D143 V168 I169 P170I142-M161 WeakPolarHBondContact CA-O 3.43Å; D143-M161 PolarHBondContact N-O 3.4Å; D143-M161 PolarHBondContact O-N 2.96Å; M161-V168 HydrophobicContact CB-CG1 3.78Å; M161-V168 HydrophobicContact CG-CG1 4.32Å; M161-V168 HydrophobicContact SD-CG1 4.39Å; M161-I169 WeakPolarHBondContact CA-O 3.26Å; M161-P170 HydrophobicContact SD-CB 4.13Å
162L97Very high91Very high4 Ų461.5 Ų61.52%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-101.5123.4174.7176.562.8000110.4I137 Q141 I142 V168 I169 I171 V208I137-L162 HydrophobicContact CD1-CD1 4.38Å; I137-L162 HydrophobicContact CD1-CD2 3.92Å; I137-L162 HydrophobicContact CG2-CD1 3.52Å; Q141-L162 HydrophobicContact CB-CD1 3.8Å; I142-L162 HydrophobicContact CG1-CD1 3.97Å; L162-V168 WeakPolarHBondContact O-CA 3.41Å; L162-I169 HydrophobicContact CB-CG1 3.9Å; L162-I169 HydrophobicContact CD2-CD1 4.18Å; L162-I169 HydrophobicContact CD2-CG1 4.31Å; L162-I169 HydrophobicContact CG-CG1 4.44Å; L162-I169 PolarHBondContact N-O 3.36Å; L162-I169 PolarHBondContact O-N 3.16Å; L162-I171 HydrophobicContact CB-CD1 3.83Å; L162-I171 HydrophobicContact CB-CG1 4.19Å; L162-I171 HydrophobicContact CB-CG2 3.88Å; L162-I171 HydrophobicContact CD2-CG2 4.44Å; L162-V208 HydrophobicContact CD2-CG1 3.63Å
163R95.8Very high92.2Very high95 Ų9559.2 Ų59.236%0.35832%0.32SS..EExtended strand (participates in β ladder)trans-85.5115.1168-70.1-176.1-75.7-84.2-3.9110.5D140 Q141 D143 V168D140-R163 PolarHBondContact O-NH2 3.3Å; Q141-R163 PolarHBondContact NE2-O 3.19Å; Q141-R163 VanDerWaalsContact NE2-O 3.1Å; Q141-R163 PolarHBondContact O-N 2.91Å; D143-R163 IonicContact OD1-CZ 3.47Å; D143-R163 IonicContact OD1-NH1 3.77Å; D143-R163 PolarHBondContact OD1-NH1 3.1Å; D143-R163 IonicContact OD1-NH2 3.77Å; D143-R163 PolarHBondContact OD1-NH2 2.77Å; D143-R163 IonicContact OD2-CZ 3.36Å; D143-R163 IonicContact OD2-NH1 2.88Å; D143-R163 PolarHBondContact OD2-NH1 3.17Å; R163-V168 HydrophobicContact CG-CG2 4.26Å
164Q88.3Confident93.4Very high84 Ų8453.9 Ų53.939%0.39330%0.295SS..EExtended strand (participates in β ladder)trans-127.6101.6172.3-165.6177.329.500109.7N166 N167Q164-N166 PolarHBondContact O-N 3.45Å; Q164-N167 PolarHBondContact N-O 3.39Å; Q164-N167 PolarHBondContact O-N 3.42Å
165G87.8Confident94.4Very high76 Ų7649 Ų4978%0.78428%0.275SS*.THydrogen-bonded Turntrans59.1-123.3-169.400000110.6
166N90.1Very high94.7Very high170 Ų17049.5 Ų49.591%0.90928%0.275SS*.THydrogen-bonded Turntrans-88.1-4.3177.7-66.2-17.1000113.6Q164Q164-N166 PolarHBondContact O-N 3.45Å
167N94Very high94.4Very high110 Ų11056.8 Ų56.859%0.58831%0.307SS*.EExtended strand (participates in β ladder)trans-94.7138.9-177.3-64.3-38.1000110.6Q164Q164-N167 PolarHBondContact N-O 3.39Å; Q164-N167 PolarHBondContact O-N 3.42Å
168V96.6Very high94Very high92 Ų9258.8 Ų58.856%0.55832%0.316SS*.EExtended strand (participates in β ladder)trans-117.4117.5169.9-174.60000107.7M161 L162 R163M161-V168 HydrophobicContact CB-CG1 3.78Å; M161-V168 HydrophobicContact CG-CG1 4.32Å; M161-V168 HydrophobicContact SD-CG1 4.39Å; L162-V168 WeakPolarHBondContact O-CA 3.41Å; R163-V168 HydrophobicContact CG-CG2 4.26Å
169I96.8Very high93.3Very high61 Ų6161 Ų6131%0.31333%0.331SS..EExtended strand (participates in β ladder)trans-117.3140.3-177.765.2172.7000111.2M161 L162 I171 V208M161-I169 WeakPolarHBondContact CA-O 3.26Å; L162-I169 HydrophobicContact CB-CG1 3.9Å; L162-I169 HydrophobicContact CD2-CD1 4.18Å; L162-I169 HydrophobicContact CD2-CG1 4.31Å; L162-I169 HydrophobicContact CG-CG1 4.44Å; L162-I169 PolarHBondContact N-O 3.36Å; L162-I169 PolarHBondContact O-N 3.16Å; I169-I171 HydrophobicContact CD1-CG2 4.41Å; I169-I171 HydrophobicContact CG1-CG2 4.18Å; I169-V208 HydrophobicContact CD1-CG1 4.44Å
170P97.7Very high92.5Very high63 Ų6366.4 Ų66.441%0.40936%0.355SS..EExtended strand (participates in β ladder)trans-71.7134.6174.231.1-34.6000110.3M161 Y223M161-P170 HydrophobicContact SD-CB 4.13Å; P170-Y223 HydrophobicContact CB-CD1 4.04Å; P170-Y223 HydrophobicContact CB-CG 4.43Å
171I98.2Very high92Very high0 Ų069.8 Ų69.80%037%0.373CS..EExtended strand (participates in β ladder)trans-132.9156.5-177.852.5162.8000110.9I142 G160 L162 I169 L173 V208 V220 I221I142-I171 HydrophobicContact CD1-CD1 4.4Å; I142-I171 HydrophobicContact CG1-CD1 4.36Å; I142-I171 HydrophobicContact CG2-CD1 4.05Å; G160-I171 PolarHBondContact N-O 2.82Å; G160-I171 WeakPolarHBondContact O-CG1 3.3Å; G160-I171 PolarHBondContact O-N 2.96Å; L162-I171 HydrophobicContact CB-CD1 3.83Å; L162-I171 HydrophobicContact CB-CG1 4.19Å; L162-I171 HydrophobicContact CB-CG2 3.88Å; L162-I171 HydrophobicContact CD2-CG2 4.44Å; I169-I171 HydrophobicContact CD1-CG2 4.41Å; I169-I171 HydrophobicContact CG1-CG2 4.18Å; I171-L173 HydrophobicContact CD1-CD1 3.95Å; I171-L173 HydrophobicContact CD1-CD2 4.18Å; I171-L173 HydrophobicContact CD1-CG 4.07Å; I171-L173 HydrophobicContact CG1-CD1 4.17Å; I171-V208 HydrophobicContact CG2-CG1 4.29Å; I171-V208 HydrophobicContact CG2-CG2 4.44Å; I171-V220 HydrophobicContact CB-CG1 3.79Å; I171-V220 HydrophobicContact CD1-CG1 3.5Å; I171-V220 VanDerWaalsContact CD1-CG1 3.5Å; I171-V220 HydrophobicContact CG1-CG1 4.23Å; I171-V220 HydrophobicContact CG2-CG1 3.85Å; I171-I221 WeakPolarHBondContact CA-O 3.18Å
172A97.6Very high91.3Very high7 Ų770 Ų706%0.05838%0.375CS..EExtended strand (participates in β ladder)trans-109.4139.9165.100000109.4V157 Y158 I221 Y223V157-A172 HydrophobicContact CG1-CB 4.08Å; Y158-A172 CarbonylContact O-C 3.55Å; Y158-A172 VanDerWaalsContact O-CA 3.26Å; Y158-A172 WeakPolarHBondContact O-CA 3.36Å; A172-I221 HydrophobicContact CB-CD1 4.46Å; A172-I221 HydrophobicContact CB-CG1 3.9Å; A172-I221 PolarHBondContact N-O 3.45Å; A172-I221 PolarHBondContact O-N 2.89Å; A172-Y223 HydrophobicContact CB-CD2 4.47Å
173L96Very high90.7Very high0 Ų075 Ų750%040%0.399CS..EExtended strand (participates in β ladder)trans-118.5109-176.6-58.5103.3000109.7I142 I144 V157 Y158 I171 M218 L219 V220I142-L173 HydrophobicContact CD1-CD2 3.86Å; I142-L173 HydrophobicContact CG2-CD1 4.42Å; I142-L173 HydrophobicContact CG2-CD2 3.69Å; I144-L173 HydrophobicContact CD1-CD2 4.05Å; I144-L173 HydrophobicContact CG1-CD1 4.25Å; I144-L173 HydrophobicContact CG1-CD2 4.16Å; I144-L173 HydrophobicContact CG2-CD1 4.41Å; V157-L173 CarbonylContact C-O 3.51Å; V157-L173 VanDerWaalsContact CA-O 3.28Å; V157-L173 WeakPolarHBondContact CA-O 3.45Å; Y158-L173 PolarHBondContact N-O 3.06Å; Y158-L173 PolarHBondContact O-N 3.07Å; I171-L173 HydrophobicContact CD1-CD1 3.95Å; I171-L173 HydrophobicContact CD1-CD2 4.18Å; I171-L173 HydrophobicContact CD1-CG 4.07Å; I171-L173 HydrophobicContact CG1-CD1 4.17Å; L173-M218 HydrophobicContact CB-SD 4.35Å; L173-M218 HydrophobicContact CD2-SD 3.82Å; L173-L219 WeakPolarHBondContact CA-O 3.4Å; L173-V220 HydrophobicContact CD2-CG2 4.32Å
174K94.8Very high90.4Very high19 Ų1972.1 Ų72.18%0.08340%0.395CS..EExtended strand (participates in β ladder)trans-85.8121.2172.3-170.8176.3-174.3-178.50108.6V157 L188 E191 M218 L219 D288V157-K174 HydrophobicContact CG2-CB 4.37Å; V157-K174 HydrophobicContact CG2-CG 4.27Å; K174-L188 HydrophobicContact CB-CD1 4.31Å; K174-L188 HydrophobicContact CD-CD1 3.91Å; K174-L188 HydrophobicContact CG-CD1 3.96Å; K174-E191 IonicContact NZ-OE1 2.72Å; K174-E191 PolarHBondContact NZ-OE1 2.94Å; K174-E191 VanDerWaalsContact NZ-OE1 3.13Å; K174-E191 IonicContact NZ-OE2 2.83Å; K174-E191 PolarHBondContact NZ-OE2 2.71Å; K174-M218 WeakPolarHBondContact O-CA 3.3Å; K174-L219 HydrophobicContact CB-CB 4.26Å; K174-L219 PolarHBondContact N-O 3.31Å; K174-L219 PolarHBondContact O-N 2.86Å; K174-D288 IonicContact NZ-OD1 2.7Å; K174-D288 PolarHBondContact NZ-OD1 2.82Å
175T92.8Very high90.3Very high17 Ų1770.7 Ų70.710%0.10439%0.386CS..  trans-110.8163.9-174.964.90000110.8G155 A156 Y158 M218G155-T175 WeakPolarHBondContact CA-O 3.49Å; A156-T175 PolarHBondContact N-OG1 2.99Å; A156-T175 PolarHBondContact O-N 2.88Å; A156-T175 PolarHBondContact O-OG1 2.89Å; Y158-T175 HydrophobicContact CD2-CG2 3.77Å; Y158-T175 HydrophobicContact CE2-CG2 3.93Å; T175-M218 HydrophobicContact CG2-CE 4.15Å; T175-M218 HydrophobicContact CG2-CG 3.98Å; T175-M218 HydrophobicContact CG2-SD 3.91Å
176L88.7Confident90.3Very high21 Ų2168.5 Ų68.511%0.1136%0.355CS..  trans-87.5144.6173.3-59.2172.2000110.3A184 R185 L188L176-A184 HydrophobicContact CD2-CB 3.96Å; L176-R185 HydrophobicContact CD1-CB 3.68Å; L176-R185 HydrophobicContact CD1-CG 4.01Å; L176-L188 HydrophobicContact CD2-CB 4.01Å; L176-L188 HydrophobicContact CD2-CD2 3.81Å; L176-L188 HydrophobicContact CD2-CG 4.49Å; L176-L188 HydrophobicContact CG-CD2 4.04Å
177Q86.7Confident90.2Very high163 Ų16363 Ų6376%0.76233%0.326SS*.SBendtrans-66.7-44171.3-169.6176.519.600111.8
178D85.3Confident90.1Very high85 Ų8558.1 Ų58.146%0.45530%0.3SS..  trans-118116.6170.6-176.34.3000110.2K180 D181D178-K180 PolarHBondContact O-N 2.84Å; D178-K180 WeakPolarHBondContact OD1-CB 3.32Å; D178-K180 PolarHBondContact OD1-N 3.33Å; D178-D181 HydrophobicContact CB-CB 4.21Å; D178-D181 PolarHBondContact O-N 3.07Å
179I81.9Confident89.8Confident104 Ų10454 Ų5453%0.53328%0.275SS..THydrogen-bonded Turntrans-64.3-16.9175.961.1172.3000113.2
180K81.8Confident89.5Confident157 Ų15754.6 Ų54.668%0.68327%0.273SS*.THydrogen-bonded Turntrans-87.8-15.9178.3-61.3-178.3-179.8176.60112.8D178 D182D178-K180 PolarHBondContact O-N 2.84Å; D178-K180 WeakPolarHBondContact OD1-CB 3.32Å; D178-K180 PolarHBondContact OD1-N 3.33Å; K180-D182 PolarHBondContact O-N 2.94Å
181D86.1Confident89.3Confident70 Ų7052.1 Ų52.137%0.37426%0.256SS..  trans-72.898.1178.9-172.5-18.1000110.8D178 Q183 A184 R185D178-D181 HydrophobicContact CB-CB 4.21Å; D178-D181 PolarHBondContact O-N 3.07Å; D181-Q183 VanDerWaalsContact C-N 3.26Å; D181-Q183 PolarHBondContact O-N 2.89Å; D181-Q183 WeakPolarHBondContact OD1-CA 3.26Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.3Å; D181-Q183 PolarHBondContact OD1-N 2.9Å; D181-A184 HydrophobicContact CB-CB 3.88Å; D181-A184 VanDerWaalsContact CG-CB 3.46Å; D181-A184 PolarHBondContact O-N 2.89Å; D181-A184 PolarHBondContact OD1-N 2.75Å; D181-A184 WeakPolarHBondContact OD2-CB 3.37Å; D181-R185 WeakPolarHBondContact O-CB 3.09Å; D181-R185 PolarHBondContact O-N 2.91Å
182D83.5Confident89.1Confident71 Ų7152.1 Ų52.138%0.3826%0.256SS..Hα-helixtrans-66.7-27.1179.3-83.2-45.1000113.5K55 K180 R185 E186K55-D182 WeakPolarHBondContact CD-OD2 3.47Å; K55-D182 WeakPolarHBondContact CE-OD1 3.37Å; K55-D182 IonicContact NZ-OD1 3.7Å; K55-D182 PolarHBondContact NZ-OD1 3.3Å; K55-D182 IonicContact NZ-OD2 3.26Å; K55-D182 PolarHBondContact NZ-OD2 3.1Å; K180-D182 PolarHBondContact O-N 2.94Å; D182-R185 IonicContact OD1-NE 2.95Å; D182-R185 PolarHBondContact OD1-NE 3.05Å; D182-R185 IonicContact OD1-NH2 2.71Å; D182-E186 WeakPolarHBondContact O-CB 3.49Å; D182-E186 PolarHBondContact O-N 2.8Å
183Q85.1Confident88.8Confident111 Ų11152.8 Ų52.852%0.51926%0.257SS..Hα-helixtrans-74.4-47.4178-177.154.454.300110D181 R185 E186 D187D181-Q183 VanDerWaalsContact C-N 3.26Å; D181-Q183 PolarHBondContact O-N 2.89Å; D181-Q183 WeakPolarHBondContact OD1-CA 3.26Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.3Å; D181-Q183 PolarHBondContact OD1-N 2.9Å; Q183-R185 VanDerWaalsContact C-N 3.3Å; Q183-R185 PolarHBondContact O-N 2.71Å; Q183-E186 PolarHBondContact O-N 3.27Å; Q183-D187 PolarHBondContact NE2-OD1 2.88Å; Q183-D187 PolarHBondContact NE2-OD2 2.89Å; Q183-D187 PolarHBondContact O-N 2.96Å
184A87.7Confident88.7Confident33 Ų3353.2 Ų53.227%0.27326%0.259SS..Hα-helixtrans-60.2-40.8174.500000111.6L176 D181 D187 L188L176-A184 HydrophobicContact CD2-CB 3.96Å; D181-A184 HydrophobicContact CB-CB 3.88Å; D181-A184 VanDerWaalsContact CG-CB 3.46Å; D181-A184 PolarHBondContact O-N 2.89Å; D181-A184 PolarHBondContact OD1-N 2.75Å; D181-A184 WeakPolarHBondContact OD2-CB 3.37Å; A184-D187 PolarHBondContact O-N 2.87Å; A184-L188 WeakPolarHBondContact O-CB 3.46Å; A184-L188 PolarHBondContact O-N 2.92Å
185R87.7Confident88.8Confident54 Ų5452.6 Ų52.620%0.20426%0.256CS..Hα-helixtrans-59.8-46.2173.8-169.9-178.370.379.86.5112.4L176 D181 D182 Q183 D187 L188 L189 T217L176-R185 HydrophobicContact CD1-CB 3.68Å; L176-R185 HydrophobicContact CD1-CG 4.01Å; D181-R185 WeakPolarHBondContact O-CB 3.09Å; D181-R185 PolarHBondContact O-N 2.91Å; D182-R185 IonicContact OD1-NE 2.95Å; D182-R185 PolarHBondContact OD1-NE 3.05Å; D182-R185 IonicContact OD1-NH2 2.71Å; Q183-R185 VanDerWaalsContact C-N 3.3Å; Q183-R185 PolarHBondContact O-N 2.71Å; R185-D187 VanDerWaalsContact C-N 3.33Å; R185-L188 PolarHBondContact O-N 2.92Å; R185-L189 HydrophobicContact CG-CD1 4.45Å; R185-L189 VanDerWaalsContact O-CG 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.26Å; R185-L189 PolarHBondContact O-N 2.98Å; R185-T217 HydrophobicContact CG-CG2 4.21Å
186E86.3Confident88.9Confident30 Ų3054.4 Ų54.414%0.1426%0.262CS..Hα-helixtrans-67.3-33.3178.2172.357.9-167.500112.4K35 D182 Q183 R190 R193K35-E186 WeakPolarHBondContact CD-OE1 3.31Å; K35-E186 IonicContact NZ-OE1 3.14Å; K35-E186 PolarHBondContact NZ-OE1 3.5Å; D182-E186 WeakPolarHBondContact O-CB 3.49Å; D182-E186 PolarHBondContact O-N 2.8Å; Q183-E186 PolarHBondContact O-N 3.27Å; E186-R190 VanDerWaalsContact O-CB 3.31Å; E186-R190 WeakPolarHBondContact O-CB 3.42Å; E186-R190 PolarHBondContact O-N 2.9Å; E186-R193 IonicContact OE1-NH2 2.61Å; E186-R193 PolarHBondContact OE1-NH2 2.98Å; E186-R193 IonicContact OE2-NH2 2.92Å; E186-R193 PolarHBondContact OE2-NH2 3.17Å
187D89Confident89Confident55 Ų5560 Ų6029%0.29428%0.281SS..Hα-helixtrans-68.8-41.7174.4-70.8-33.8000111.6Q183 A184 R185 R190 E191Q183-D187 PolarHBondContact NE2-OD1 2.88Å; Q183-D187 PolarHBondContact NE2-OD2 2.89Å; Q183-D187 PolarHBondContact O-N 2.96Å; A184-D187 PolarHBondContact O-N 2.87Å; R185-D187 VanDerWaalsContact C-N 3.33Å; D187-R190 WeakPolarHBondContact O-CB 3.2Å; D187-R190 PolarHBondContact O-N 2.7Å; D187-R190 IonicContact OD1-CZ 2.6Å; D187-R190 IonicContact OD1-NH1 3.23Å; D187-R190 PolarHBondContact OD1-NH1 2.84Å; D187-R190 IonicContact OD1-NH2 2.96Å; D187-R190 PolarHBondContact OD1-NH2 3.02Å; D187-E191 PolarHBondContact O-N 2.72Å
188L90.9Very high89.4Confident8 Ų852.8 Ų52.84%0.04225%0.248CC..Hα-helixtrans-62-42.7172.8-172.768000112.1K174 L176 A184 R185 R190 E191 G192 T217 L219K174-L188 HydrophobicContact CB-CD1 4.31Å; K174-L188 HydrophobicContact CD-CD1 3.91Å; K174-L188 HydrophobicContact CG-CD1 3.96Å; L176-L188 HydrophobicContact CD2-CB 4.01Å; L176-L188 HydrophobicContact CD2-CD2 3.81Å; L176-L188 HydrophobicContact CD2-CG 4.49Å; L176-L188 HydrophobicContact CG-CD2 4.04Å; A184-L188 WeakPolarHBondContact O-CB 3.46Å; A184-L188 PolarHBondContact O-N 2.92Å; R185-L188 PolarHBondContact O-N 2.92Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-E191 WeakPolarHBondContact O-CB 3.31Å; L188-E191 PolarHBondContact O-N 3.21Å; L188-G192 PolarHBondContact O-N 2.92Å; L188-T217 HydrophobicContact CD2-CG2 4.48Å; L188-L219 HydrophobicContact CD1-CB 3.65Å; L188-L219 HydrophobicContact CD1-CD2 4.1Å; L188-L219 HydrophobicContact CD2-CB 4.39Å; L188-L219 HydrophobicContact CG-CB 3.94Å
189L90.7Very high89.8Confident6 Ų650.1 Ų50.13%0.03124%0.241CC..Hα-helixtrans-67.5-34.1175-69.8176.6000112.2R185 G192 R193 I210 T217R185-L189 HydrophobicContact CG-CD1 4.45Å; R185-L189 VanDerWaalsContact O-CG 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.26Å; R185-L189 PolarHBondContact O-N 2.98Å; L189-G192 PolarHBondContact O-N 3.21Å; L189-R193 WeakPolarHBondContact O-CB 3.49Å; L189-R193 WeakPolarHBondContact O-CG 3.33Å; L189-R193 PolarHBondContact O-N 2.83Å; L189-R193 PolarHBondContact O-NE 2.94Å; L189-I210 HydrophobicContact CD2-CD1 4.17Å; L189-I210 HydrophobicContact CD2-CG1 4.16Å; L189-I210 HydrophobicContact CD2-CG2 3.64Å; L189-T217 HydrophobicContact CD2-CG2 3.75Å; L189-T217 HydrophobicContact CG-CG2 4.16Å
190R90.3Very high90.5Very high73 Ų7353.8 Ų53.828%0.27525%0.253SS..Hα-helixtrans-64.4-43.6173.3-172.9-171-56.8135.214.4111.1E186 D187 L188 R193 L194E186-R190 VanDerWaalsContact O-CB 3.31Å; E186-R190 WeakPolarHBondContact O-CB 3.42Å; E186-R190 PolarHBondContact O-N 2.9Å; D187-R190 WeakPolarHBondContact O-CB 3.2Å; D187-R190 PolarHBondContact O-N 2.7Å; D187-R190 IonicContact OD1-CZ 2.6Å; D187-R190 IonicContact OD1-NH1 3.23Å; D187-R190 PolarHBondContact OD1-NH1 2.84Å; D187-R190 IonicContact OD1-NH2 2.96Å; D187-R190 PolarHBondContact OD1-NH2 3.02Å; L188-R190 VanDerWaalsContact C-N 3.34Å; R190-R193 PolarHBondContact O-N 3.09Å; R190-L194 PolarHBondContact O-N 3.25Å
191E93.8Very high91.3Very high10 Ų1049.1 Ų49.15%0.04723%0.233CC..Hα-helixtrans-55.9-52.8173179.5176.1-178.400110.3K174 D187 L188 R193 L194 M195 L219 F289 G290K174-E191 IonicContact NZ-OE1 2.72Å; K174-E191 PolarHBondContact NZ-OE1 2.94Å; K174-E191 VanDerWaalsContact NZ-OE1 3.13Å; K174-E191 IonicContact NZ-OE2 2.83Å; K174-E191 PolarHBondContact NZ-OE2 2.71Å; D187-E191 PolarHBondContact O-N 2.72Å; L188-E191 WeakPolarHBondContact O-CB 3.31Å; L188-E191 PolarHBondContact O-N 3.21Å; E191-R193 PolarHBondContact O-N 3.4Å; E191-L194 PolarHBondContact O-N 2.79Å; E191-L194 VanDerWaalsContact O-N 3.14Å; E191-M195 HydrophobicContact CG-SD 4.11Å; E191-M195 WeakPolarHBondContact O-CG 3.13Å; E191-M195 PolarHBondContact O-N 3.45Å; E191-L219 HydrophobicContact CB-CD2 4.3Å; E191-L219 HydrophobicContact CG-CD2 3.71Å; E191-F289 HydrophobicContact CG-CB 3.87Å; E191-F289 PolarHBondContact OE1-N 2.77Å; E191-G290 VanDerWaalsContact CD-N 3.28Å; E191-G290 PolarHBondContact OE1-N 3.43Å; E191-G290 WeakPolarHBondContact OE2-CA 3.22Å
192G93.9Very high91.8Very high1 Ų149.6 Ų49.61%0.0123%0.233CC..Hα-helixtrans-57.4-43.1177.400000113.9L188 L189 L194 M195 R196L188-G192 PolarHBondContact O-N 2.92Å; L189-G192 PolarHBondContact O-N 3.21Å; G192-L194 PolarHBondContact O-N 2.93Å; G192-M195 PolarHBondContact O-N 3.01Å; G192-R196 VanDerWaalsContact O-CB 3.26Å; G192-R196 WeakPolarHBondContact O-CB 3.41Å; G192-R196 PolarHBondContact O-N 2.87Å
193R92.1Very high92.5Very high21 Ų2146.2 Ų46.28%0.07922%0.215CC..Hα-helixtrans-60.1-42.5175.5-81.2-179.1-80.2-110.34.5112.8S33 D36 E186 L189 R190 E191 R197S33-R193 PolarHBondContact OG-NH1 3Å; D36-R193 VanDerWaalsContact CG-NH1 3.28Å; D36-R193 WeakPolarHBondContact OD1-CD 3.42Å; D36-R193 VanDerWaalsContact OD1-CG 3.22Å; D36-R193 WeakPolarHBondContact OD1-CG 3.26Å; D36-R193 IonicContact OD1-CZ 2.71Å; D36-R193 IonicContact OD1-NE 2.87Å; D36-R193 IonicContact OD1-NH1 3.06Å; D36-R193 PolarHBondContact OD1-NH1 3.27Å; D36-R193 IonicContact OD2-NH1 2.8Å; D36-R193 PolarHBondContact OD2-NH1 3.01Å; E186-R193 IonicContact OE1-NH2 2.61Å; E186-R193 PolarHBondContact OE1-NH2 2.98Å; E186-R193 IonicContact OE2-NH2 2.92Å; E186-R193 PolarHBondContact OE2-NH2 3.17Å; L189-R193 WeakPolarHBondContact O-CB 3.49Å; L189-R193 WeakPolarHBondContact O-CG 3.33Å; L189-R193 PolarHBondContact O-N 2.83Å; L189-R193 PolarHBondContact O-NE 2.94Å; R190-R193 PolarHBondContact O-N 3.09Å; E191-R193 PolarHBondContact O-N 3.4Å; R193-R197 WeakPolarHBondContact O-CG 3.49Å; R193-R197 PolarHBondContact O-N 3.13Å
194L94Very high93.2Very high8 Ų841.1 Ų41.14%0.04219%0.191CC..Hα-helixtrans-64.6-49.1178-178.6155.1000110.2R190 E191 G192 R196 R197 L198 V262 F289 Y294R190-L194 PolarHBondContact O-N 3.25Å; E191-L194 PolarHBondContact O-N 2.79Å; E191-L194 VanDerWaalsContact O-N 3.14Å; G192-L194 PolarHBondContact O-N 2.93Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 3.26Å; L194-R197 PolarHBondContact O-N 3.05Å; L194-L198 HydrophobicContact CD2-CD1 3.74Å; L194-L198 HydrophobicContact CD2-CG 4.29Å; L194-L198 PolarHBondContact O-N 3.35Å; L194-V262 HydrophobicContact CD1-CG1 4.39Å; L194-V262 HydrophobicContact CD2-CG1 4.14Å; L194-V262 HydrophobicContact CD2-CG2 4.46Å; L194-V262 HydrophobicContact CG-CG2 4.49Å; L194-F289 HydrophobicContact CD2-CB 4.4Å; L194-F289 HydrophobicContact CD2-CD1 3.61Å; L194-F289 HydrophobicContact CD2-CE1 4.34Å; L194-F289 HydrophobicContact CD2-CG 4.33Å; L194-Y294 HydrophobicContact CB-CE2 4.21Å; L194-Y294 HydrophobicContact CD1-CD2 4.45Å; L194-Y294 HydrophobicContact CD1-CE2 4.27Å; L194-Y294 HydrophobicContact CG-CE2 4.01Å; L194-Y294 PolarHBondContact O-OH 3.06Å
195M97Very high93.7Very high6 Ų639.7 Ų39.73%0.0318%0.179CC..Hα-helixtrans-63.9-39.1179.4-61.4178.471.300112.2E191 G192 R197 L198 G199 V205 F207 L219 I221 F289E191-M195 HydrophobicContact CG-SD 4.11Å; E191-M195 WeakPolarHBondContact O-CG 3.13Å; E191-M195 PolarHBondContact O-N 3.45Å; G192-M195 PolarHBondContact O-N 3.01Å; M195-R197 VanDerWaalsContact C-N 3.29Å; M195-R197 PolarHBondContact O-N 2.97Å; M195-L198 WeakPolarHBondContact O-CB 3.41Å; M195-L198 PolarHBondContact O-N 2.9Å; M195-G199 PolarHBondContact O-N 3.35Å; M195-G199 VanDerWaalsContact O-N 3.1Å; M195-V205 HydrophobicContact CE-CG1 4.44Å; M195-V205 VanDerWaalsContact CE-O 3.26Å; M195-V205 WeakPolarHBondContact CE-O 3.43Å; M195-F207 HydrophobicContact CB-CB 3.75Å; M195-F207 HydrophobicContact CB-CD2 4.28Å; M195-F207 HydrophobicContact CB-CG 4.36Å; M195-L219 HydrophobicContact SD-CD2 4.12Å; M195-I221 HydrophobicContact CE-CG2 3.69Å; M195-I221 HydrophobicContact SD-CG2 4.12Å; M195-F289 HydrophobicContact CE-CD2 4.13Å; M195-F289 HydrophobicContact CG-CB 3.88Å; M195-F289 HydrophobicContact CG-CD2 4.06Å; M195-F289 HydrophobicContact CG-CG 3.93Å; M195-F289 HydrophobicContact SD-CB 4.21Å; M195-F289 HydrophobicContact SD-CD2 4.17Å; M195-F289 HydrophobicContact SD-CG 4.44Å
196R93.9Very high94.2Very high56 Ų5637.8 Ų37.821%0.21117%0.174CC..Hα-helixtrans-58.1-41.7175.6-175.8179.569.8-172.40.1112.2D39 G192 L194 G199 F207D39-R196 IonicContact OD2-NH2 3.79Å; D39-R196 PolarHBondContact OD2-NH2 3.45Å; G192-R196 VanDerWaalsContact O-CB 3.26Å; G192-R196 WeakPolarHBondContact O-CB 3.41Å; G192-R196 PolarHBondContact O-N 2.87Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 3.26Å; R196-G199 PolarHBondContact O-N 2.77Å; R196-F207 HydrophobicContact CB-CD1 3.7Å; R196-F207 HydrophobicContact CB-CE1 3.73Å; R196-F207 HydrophobicContact CB-CG 4.11Å; R196-F207 HydrophobicContact CB-CZ 4.18Å; R196-F207 HydrophobicContact CG-CD1 3.96Å; R196-F207 HydrophobicContact CG-CE1 3.77Å
197R92Very high94.7Very high138 Ų13837.4 Ų37.452%0.52117%0.172SC..Hα-helixtrans-75.3-31.6179.9-78.8178.5-170.3-171.33.7113D39 R193 L194 M195 G199 Y294D39-R197 IonicContact OD1-NH2 2.77Å; D39-R197 PolarHBondContact OD1-NH2 2.93Å; D39-R197 IonicContact OD2-CZ 3.78Å; D39-R197 IonicContact OD2-NH2 3.85Å; D39-R197 PolarHBondContact OD2-NH2 3.38Å; R193-R197 WeakPolarHBondContact O-CG 3.49Å; R193-R197 PolarHBondContact O-N 3.13Å; L194-R197 PolarHBondContact O-N 3.05Å; M195-R197 VanDerWaalsContact C-N 3.29Å; M195-R197 PolarHBondContact O-N 2.97Å; R197-G199 VanDerWaalsContact C-N 3.28Å; R197-Y294 WeakPolarHBondContact CB-OH 3.36Å; R197-Y294 WeakPolarHBondContact CD-OH 3.46Å
198L94.4Very high95.1Very high11 Ų1136.5 Ų36.56%0.05817%0.169CC..Hα-helixtrans-57.6-48.6167.6-75.1173.3000109L194 M195 Y256 L257 N260 V262 F289L194-L198 HydrophobicContact CD2-CD1 3.74Å; L194-L198 HydrophobicContact CD2-CG 4.29Å; L194-L198 PolarHBondContact O-N 3.35Å; M195-L198 WeakPolarHBondContact O-CB 3.41Å; M195-L198 PolarHBondContact O-N 2.9Å; L198-Y256 VanDerWaalsContact C-OH 3.24Å; L198-Y256 HydrophobicContact CB-CE1 4.39Å; L198-Y256 HydrophobicContact CD2-CE1 4.13Å; L198-Y256 PolarHBondContact O-OH 2.91Å; L198-L257 HydrophobicContact CD1-CD2 3.66Å; L198-L257 HydrophobicContact CD2-CD2 3.84Å; L198-L257 HydrophobicContact CG-CD2 4.44Å; L198-N260 HydrophobicContact CD2-CB 3.56Å; L198-V262 HydrophobicContact CD2-CB 4.38Å; L198-V262 HydrophobicContact CD2-CG2 3.83Å; L198-V262 HydrophobicContact CG-CG2 4.38Å; L198-F289 HydrophobicContact CD1-CD1 4.16Å; L198-F289 HydrophobicContact CD1-CE1 3.64Å; L198-F289 HydrophobicContact CD1-CZ 4.19Å
199G93.3Very high95.3Very high30 Ų3036.1 Ų36.131%0.30917%0.167SC..  trans86.1-150.5-175.400000110.9M195 R196 R197M195-G199 PolarHBondContact O-N 3.35Å; M195-G199 VanDerWaalsContact O-N 3.1Å; R196-G199 PolarHBondContact O-N 2.77Å; R197-G199 VanDerWaalsContact C-N 3.28Å
200K96.6Very high95.4Very high180 Ų18036.4 Ų36.478%0.78317%0.168SC*.  trans-102.8124.8-174.9-64.7-175-178.9179.70110.8A206K200-A206 HydrophobicContact CG-CB 4.22Å
201F98.2Very high95.5Very high60 Ų6033.3 Ų33.326%0.26316%0.157SC..  trans-138.3143.6170.6-170.1-112.6000109.8T203 V204 Y256F201-T203 VanDerWaalsContact C-N 3.25Å; F201-T203 WeakPolarHBondContact CD1-OG1 3.38Å; F201-T203 WeakPolarHBondContact CE1-OG1 3.39Å; F201-T203 PolarHBondContact O-N 3.24Å; F201-T203 VanDerWaalsContact O-N 3.16Å; F201-V204 HydrophobicContact CB-CB 4.4Å; F201-V204 HydrophobicContact CD1-CG2 4.24Å; F201-V204 PolarHBondContact O-N 3.37Å; F201-V204 VanDerWaalsContact O-N 3.16Å; F201-Y256 HydrophobicContact CB-CD1 3.83Å; F201-Y256 HydrophobicContact CB-CD2 4.32Å; F201-Y256 HydrophobicContact CB-CE1 3.53Å; F201-Y256 HydrophobicContact CB-CE2 4.07Å; F201-Y256 HydrophobicContact CB-CG 4.19Å; F201-Y256 AromaticContact CD1-CD1 3.79Å; F201-Y256 HydrophobicContact CD1-CD1 3.79Å; F201-Y256 HydrophobicContact CD1-CD2 4.36Å; F201-Y256 HydrophobicContact CD1-CE1 4.39Å; F201-Y256 AromaticContact CD1-CG 3.74Å; F201-Y256 HydrophobicContact CD1-CG 3.74Å; F201-Y256 AromaticContact CD2-CD2 3.87Å; F201-Y256 HydrophobicContact CD2-CD2 3.87Å; F201-Y256 HydrophobicContact CD2-CE2 4.11Å; F201-Y256 HydrophobicContact CD2-CG 4.1Å; F201-Y256 HydrophobicContact CE1-CG 4.07Å; F201-Y256 HydrophobicContact CE2-CD2 4.24Å; F201-Y256 HydrophobicContact CE2-CG 4.43Å; F201-Y256 AromaticContact CG-CD1 3.83Å; F201-Y256 HydrophobicContact CG-CD1 3.83Å; F201-Y256 AromaticContact CG-CD2 3.94Å; F201-Y256 HydrophobicContact CG-CD2 3.94Å; F201-Y256 HydrophobicContact CG-CE1 4.03Å; F201-Y256 HydrophobicContact CG-CE2 4.15Å; F201-Y256 AromaticContact CG-CG 3.75Å; F201-Y256 HydrophobicContact CG-CG 3.75Å; F201-Y256 HydrophobicContact CZ-CG 4.41Å
202E97.7Very high94.8Very high80 Ų8033 Ų3337%0.37416%0.156SC..THydrogen-bonded Turntrans-66.9-21.6-166.857.2165175.300115.2R252 R283 K285E202-R252 IonicContact OE1-CZ 3.93Å; E202-R252 IonicContact OE1-NH1 3.9Å; E202-R252 PolarHBondContact OE1-NH1 2.93Å; E202-R252 IonicContact OE1-NH2 2.93Å; E202-R252 PolarHBondContact OE1-NH2 2.93Å; E202-R283 IonicContact OE1-NH2 3.13Å; E202-R283 IonicContact OE2-CZ 3.05Å; E202-R283 VanDerWaalsContact OE2-CZ 3.27Å; E202-R283 IonicContact OE2-NE 2.79Å; E202-R283 PolarHBondContact OE2-NE 2.94Å; E202-R283 IonicContact OE2-NH2 2.73Å; E202-R283 PolarHBondContact OE2-NH2 3.07Å; E202-K285 WeakPolarHBondContact O-CE 3.31Å
203T98.5Very high93.9Very high0 Ų034 Ų340%016%0.163CC..THydrogen-bonded Turntrans-109.414.6178.357.70000113.2F201 D249 A253 R283 K285 I286F201-T203 VanDerWaalsContact C-N 3.25Å; F201-T203 WeakPolarHBondContact CD1-OG1 3.38Å; F201-T203 WeakPolarHBondContact CE1-OG1 3.39Å; F201-T203 PolarHBondContact O-N 3.24Å; F201-T203 VanDerWaalsContact O-N 3.16Å; T203-D249 WeakPolarHBondContact CB-O 3.45Å; T203-D249 HydrophobicContact CG2-CB 3.56Å; T203-D249 VanDerWaalsContact CG2-O 3.32Å; T203-D249 WeakPolarHBondContact CG2-O 3.46Å; T203-D249 PolarHBondContact OG1-O 2.93Å; T203-A253 VanDerWaalsContact O-CB 3.29Å; T203-A253 WeakPolarHBondContact O-CB 3.44Å; T203-A253 WeakPolarHBondContact OG1-CA 3.41Å; T203-A253 WeakPolarHBondContact OG1-CB 3.31Å; T203-A253 PolarHBondContact OG1-N 2.84Å; T203-R283 HydrophobicContact CG2-CG 4.42Å; T203-K285 CarbonylContact O-C 3.57Å; T203-K285 VanDerWaalsContact O-CA 3.26Å; T203-K285 WeakPolarHBondContact O-CA 3.33Å; T203-I286 PolarHBondContact O-N 3.11Å
204V98.6Very high92.5Very high4 Ų437.7 Ų37.72%0.02419%0.188CC..BIsolated β-bridgetrans-123133.5171.4176.40000108.5F201 A206 A253 Y256 F289F201-V204 HydrophobicContact CB-CB 4.4Å; F201-V204 HydrophobicContact CD1-CG2 4.24Å; F201-V204 PolarHBondContact O-N 3.37Å; F201-V204 VanDerWaalsContact O-N 3.16Å; V204-A206 PolarHBondContact O-N 2.7Å; V204-A253 HydrophobicContact CG2-CB 3.9Å; V204-Y256 HydrophobicContact CG2-CD1 3.96Å; V204-Y256 HydrophobicContact CG2-CE1 4.26Å; V204-F289 HydrophobicContact CG1-CE2 3.78Å; V204-F289 HydrophobicContact CG1-CZ 3.52Å
205V98.4Very high91.3Very high3 Ų342.4 Ų42.42%0.01822%0.217CC..PPolyproline II helixtrans-59.2123.2174.4170.70000109.7M195 I221 E222 V224 L273 K285 I286M195-V205 HydrophobicContact CE-CG1 4.44Å; M195-V205 VanDerWaalsContact CE-O 3.26Å; M195-V205 WeakPolarHBondContact CE-O 3.43Å; V205-I221 HydrophobicContact CG1-CB 3.97Å; V205-I221 HydrophobicContact CG1-CD1 3.97Å; V205-I221 HydrophobicContact CG1-CG1 4.18Å; V205-E222 HydrophobicContact CG1-CB 4.29Å; V205-V224 HydrophobicContact CG2-CG2 3.92Å; V205-L273 HydrophobicContact CG2-CD1 4.01Å; V205-K285 HydrophobicContact CG2-CB 3.92Å; V205-I286 WeakPolarHBondContact CG2-O 3.44Å; V205-I286 PolarHBondContact N-O 3.24Å
206A97.7Very high90.6Very high13 Ų1343.1 Ų43.111%0.10722%0.224CC..PPolyproline II helixtrans-77.7137.7-173.400000112.3K200 V204 I221 E222K200-A206 HydrophobicContact CG-CB 4.22Å; V204-A206 PolarHBondContact O-N 2.7Å; A206-I221 WeakPolarHBondContact O-CA 3.49Å; A206-E222 HydrophobicContact CB-CB 4.19Å; A206-E222 PolarHBondContact N-OE2 2.68Å; A206-E222 PolarHBondContact O-N 2.98Å
207F97.5Very high90.3Very high22 Ų2241.3 Ų41.310%0.09622%0.219CC..EExtended strand (participates in β ladder)trans-64.8134.5163.1177.3-99.8000110.3W135 M195 R196 G209 I210 L219W135-F207 HydrophobicContact CB-CE1 3.66Å; W135-F207 HydrophobicContact CB-CZ 4.2Å; W135-F207 HydrophobicContact CE3-CZ 4.28Å; W135-F207 HydrophobicContact CG-CE1 4.2Å; M195-F207 HydrophobicContact CB-CB 3.75Å; M195-F207 HydrophobicContact CB-CD2 4.28Å; M195-F207 HydrophobicContact CB-CG 4.36Å; R196-F207 HydrophobicContact CB-CD1 3.7Å; R196-F207 HydrophobicContact CB-CE1 3.73Å; R196-F207 HydrophobicContact CB-CG 4.11Å; R196-F207 HydrophobicContact CB-CZ 4.18Å; R196-F207 HydrophobicContact CG-CD1 3.96Å; R196-F207 HydrophobicContact CG-CE1 3.77Å; F207-G209 WeakPolarHBondContact CE2-O 3.32Å; F207-I210 HydrophobicContact CE2-CD1 4.04Å; F207-I210 HydrophobicContact CE2-CG1 4.06Å; F207-I210 HydrophobicContact CZ-CG1 4.11Å; F207-L219 HydrophobicContact CD2-CD1 3.67Å; F207-L219 HydrophobicContact CE2-CD1 3.64Å
208V97.1Very high90.3Very high37 Ų3736.4 Ų36.422%0.22420%0.202CC..EExtended strand (participates in β ladder)trans-110-46.8173.5179.20000110I137 L162 I169 I171 V220I137-V208 HydrophobicContact CD1-CG1 4.1Å; L162-V208 HydrophobicContact CD2-CG1 3.63Å; I169-V208 HydrophobicContact CD1-CG1 4.44Å; I171-V208 HydrophobicContact CG2-CG1 4.29Å; I171-V208 HydrophobicContact CG2-CG2 4.44Å; V208-V220 WeakPolarHBondContact CA-O 3.45Å; V208-V220 HydrophobicContact CB-CB 4.37Å; V208-V220 HydrophobicContact CB-CG1 3.99Å; V208-V220 WeakPolarHBondContact CB-O 3.26Å; V208-V220 HydrophobicContact CG1-CG1 4.05Å; V208-V220 PolarHBondContact N-O 3.41Å
209G95Very high90.4Very high0 Ų035.9 Ų35.90%020%0.2CC..EExtended strand (participates in β ladder)trans176.6-171.9179.500000115.2W135 F207 V220W135-G209 CarbonylContact O-C 3.51Å; W135-G209 WeakPolarHBondContact O-CA 3.37Å; F207-G209 WeakPolarHBondContact CE2-O 3.32Å; G209-V220 PolarHBondContact N-O 3.4Å; G209-V220 WeakPolarHBondContact O-CA 3.31Å; G209-V220 WeakPolarHBondContact O-CB 3.34Å; G209-V220 PolarHBondContact O-N 3.34Å
210I93.6Very high90.5Very high12 Ų1234.4 Ų34.46%0.06219%0.185CC..EExtended strand (participates in β ladder)trans-125.1138.7171.7-62.8-61.3000107.9W135 I137 L189 F207 I212 T217 M218 L219W135-I210 HydrophobicContact CE3-CB 4.43Å; W135-I210 HydrophobicContact CE3-CG1 4.44Å; W135-I210 HydrophobicContact CZ3-CB 4.39Å; W135-I210 HydrophobicContact CZ3-CG1 4.44Å; W135-I210 PolarHBondContact O-N 3.26Å; I137-I210 PolarHBondContact N-O 2.93Å; L189-I210 HydrophobicContact CD2-CD1 4.17Å; L189-I210 HydrophobicContact CD2-CG1 4.16Å; L189-I210 HydrophobicContact CD2-CG2 3.64Å; F207-I210 HydrophobicContact CE2-CD1 4.04Å; F207-I210 HydrophobicContact CE2-CG1 4.06Å; F207-I210 HydrophobicContact CZ-CG1 4.11Å; I210-I212 PolarHBondContact O-N 3.05Å; I210-T217 HydrophobicContact CG2-CG2 4.08Å; I210-M218 WeakPolarHBondContact CA-O 3.26Å; I210-L219 HydrophobicContact CD1-CB 4.13Å; I210-L219 HydrophobicContact CD1-CD1 3.64Å
211T91.1Very high90.6Very high7 Ų726.8 Ų26.84%0.04315%0.153CC..EExtended strand (participates in β ladder)trans-72127.1172.159.90000111.3I137 I142 A216 M218 V220I137-T211 CarbonylContact O-C 3.5Å; I137-T211 VanDerWaalsContact O-CA 3.29Å; I137-T211 WeakPolarHBondContact O-CA 3.34Å; I142-T211 HydrophobicContact CD1-CG2 3.54Å; T211-A216 PolarHBondContact OG1-O 2.83Å; T211-M218 HydrophobicContact CG2-CB 3.88Å; T211-M218 HydrophobicContact CG2-CG 4.3Å; T211-M218 HydrophobicContact CG2-SD 4.49Å; T211-M218 PolarHBondContact N-O 3.24Å; T211-M218 PolarHBondContact OG1-N 3.26Å; T211-V220 HydrophobicContact CG2-CG2 4Å
212I81Confident90.5Very high5 Ų526.5 Ų26.53%0.02615%0.152CC..  trans-106.259.6176.453.9150.3000109.9F30 R132 E136 I137 M138 I210F30-I212 HydrophobicContact CB-CB 4.12Å; F30-I212 VanDerWaalsContact CB-O 3.24Å; F30-I212 WeakPolarHBondContact CB-O 3.34Å; F30-I212 HydrophobicContact CD2-CD1 4.01Å; F30-I212 WeakPolarHBondContact CG-O 3.36Å; R132-I212 HydrophobicContact CG-CD1 4.35Å; E136-I212 HydrophobicContact CB-CD1 3.83Å; E136-I212 HydrophobicContact CB-CG1 4.09Å; E136-I212 HydrophobicContact CB-CG2 3.95Å; E136-I212 HydrophobicContact CG-CG2 4.21Å; I137-I212 WeakPolarHBondContact O-CG1 3.28Å; I137-I212 PolarHBondContact O-N 3.35Å; M138-I212 HydrophobicContact CG-CD1 4.45Å; M138-I212 HydrophobicContact SD-CD1 3.45Å; M138-I212 WeakPolarHBondContact SD-CD1 3.26Å; M138-I212 HydrophobicContact SD-CG1 3.83Å; I210-I212 PolarHBondContact O-N 3.05Å
213S74Confident90.5Very high22 Ų2225.4 Ų25.415%0.15415%0.145CC..  trans-105.7164.1176.279.80000111.7T215 A216S213-T215 PolarHBondContact OG-N 2.94Å; S213-T215 PolarHBondContact OG-OG1 3.45Å; S213-T215 VanDerWaalsContact OG-OG1 3.05Å; S213-A216 PolarHBondContact OG-N 3.35Å; S213-A216 VanDerWaalsContact OG-N 3.15Å; S213-A216 PolarHBondContact OG-O 3.37Å
214T62.8Low90.5Very high97 Ų9725.8 Ų25.860%0.59515%0.147SC*.SBendtrans-76.6-11.317150.70000113
215T69.2Low90.4Very high107 Ų10729.5 Ų29.566%0.65617%0.167SC*.SBendtrans-100.7-41.1-170.154.10000113.7S213S213-T215 PolarHBondContact OG-N 2.94Å; S213-T215 PolarHBondContact OG-OG1 3.45Å; S213-T215 VanDerWaalsContact OG-OG1 3.05Å
216A81.6Confident90.4Very high22 Ų2229.9 Ų29.918%0.18217%0.171CC..  trans-161134.1-177.400000112.8T211 S213 M218T211-A216 PolarHBondContact OG1-O 2.83Å; S213-A216 PolarHBondContact OG-N 3.35Å; S213-A216 VanDerWaalsContact OG-N 3.15Å; S213-A216 PolarHBondContact OG-O 3.37Å; A216-M218 HydrophobicContact CB-CE 3.85Å
217T87.5Confident90.3Very high18 Ų1830.8 Ų30.811%0.1118%0.182CC..  trans-83.3124.4167.3-57.30000109.5R185 L188 L189 I210R185-T217 HydrophobicContact CG-CG2 4.21Å; L188-T217 HydrophobicContact CD2-CG2 4.48Å; L189-T217 HydrophobicContact CD2-CG2 3.75Å; L189-T217 HydrophobicContact CG-CG2 4.16Å; I210-T217 HydrophobicContact CG2-CG2 4.08Å
218M93.4Very high90.3Very high34 Ų3430.5 Ų30.517%0.16718%0.183CC..  trans-131.2139.9177.2-50.2-177.9-178.600109.2I144 L173 K174 T175 I210 T211 A216I144-M218 HydrophobicContact CD1-CE 3.96Å; I144-M218 HydrophobicContact CD1-SD 3.86Å; L173-M218 HydrophobicContact CB-SD 4.35Å; L173-M218 HydrophobicContact CD2-SD 3.82Å; K174-M218 WeakPolarHBondContact O-CA 3.3Å; T175-M218 HydrophobicContact CG2-CE 4.15Å; T175-M218 HydrophobicContact CG2-CG 3.98Å; T175-M218 HydrophobicContact CG2-SD 3.91Å; I210-M218 WeakPolarHBondContact CA-O 3.26Å; T211-M218 HydrophobicContact CG2-CB 3.88Å; T211-M218 HydrophobicContact CG2-CG 4.3Å; T211-M218 HydrophobicContact CG2-SD 4.49Å; T211-M218 PolarHBondContact N-O 3.24Å; T211-M218 PolarHBondContact OG1-N 3.26Å; A216-M218 HydrophobicContact CB-CE 3.85Å
219L94.9Very high90.4Very high0 Ų028.7 Ų28.70%017%0.172CC..EExtended strand (participates in β ladder)trans-87.5120.1169.716961.9000108.6L173 K174 L188 E191 M195 F207 I210 I221L173-L219 WeakPolarHBondContact CA-O 3.4Å; K174-L219 HydrophobicContact CB-CB 4.26Å; K174-L219 PolarHBondContact N-O 3.31Å; K174-L219 PolarHBondContact O-N 2.86Å; L188-L219 HydrophobicContact CD1-CB 3.65Å; L188-L219 HydrophobicContact CD1-CD2 4.1Å; L188-L219 HydrophobicContact CD2-CB 4.39Å; L188-L219 HydrophobicContact CG-CB 3.94Å; E191-L219 HydrophobicContact CB-CD2 4.3Å; E191-L219 HydrophobicContact CG-CD2 3.71Å; M195-L219 HydrophobicContact SD-CD2 4.12Å; F207-L219 HydrophobicContact CD2-CD1 3.67Å; F207-L219 HydrophobicContact CE2-CD1 3.64Å; I210-L219 HydrophobicContact CD1-CB 4.13Å; I210-L219 HydrophobicContact CD1-CD1 3.64Å; L219-I221 HydrophobicContact CD1-CG2 4.03Å; L219-I221 HydrophobicContact CD2-CG2 4.29Å; L219-I221 HydrophobicContact CG-CG2 3.86Å
220V96.7Very high90.5Very high0 Ų029.6 Ų29.60%018%0.177CC..EExtended strand (participates in β ladder)trans-100.5120.3-179.3-169.30000108.7I137 I142 I171 L173 V208 G209 T211I137-V220 HydrophobicContact CD1-CB 3.82Å; I137-V220 HydrophobicContact CD1-CG1 3.94Å; I137-V220 HydrophobicContact CD1-CG2 3.85Å; I142-V220 HydrophobicContact CD1-CG2 4.19Å; I171-V220 HydrophobicContact CB-CG1 3.79Å; I171-V220 HydrophobicContact CD1-CG1 3.5Å; I171-V220 VanDerWaalsContact CD1-CG1 3.5Å; I171-V220 HydrophobicContact CG1-CG1 4.23Å; I171-V220 HydrophobicContact CG2-CG1 3.85Å; L173-V220 HydrophobicContact CD2-CG2 4.32Å; V208-V220 WeakPolarHBondContact CA-O 3.45Å; V208-V220 HydrophobicContact CB-CB 4.37Å; V208-V220 HydrophobicContact CB-CG1 3.99Å; V208-V220 WeakPolarHBondContact CB-O 3.26Å; V208-V220 HydrophobicContact CG1-CG1 4.05Å; V208-V220 PolarHBondContact N-O 3.41Å; G209-V220 PolarHBondContact N-O 3.4Å; G209-V220 WeakPolarHBondContact O-CA 3.31Å; G209-V220 WeakPolarHBondContact O-CB 3.34Å; G209-V220 PolarHBondContact O-N 3.34Å; T211-V220 HydrophobicContact CG2-CG2 4Å
221I97.5Very high90.7Very high20 Ų2032.9 Ų32.910%0.10320%0.195CC..EExtended strand (participates in β ladder)trans-129.8167.3-178.462.6-176.8000110.7I171 A172 M195 V205 A206 L219 Y223I171-I221 WeakPolarHBondContact CA-O 3.18Å; A172-I221 HydrophobicContact CB-CD1 4.46Å; A172-I221 HydrophobicContact CB-CG1 3.9Å; A172-I221 PolarHBondContact N-O 3.45Å; A172-I221 PolarHBondContact O-N 2.89Å; M195-I221 HydrophobicContact CE-CG2 3.69Å; M195-I221 HydrophobicContact SD-CG2 4.12Å; V205-I221 HydrophobicContact CG1-CB 3.97Å; V205-I221 HydrophobicContact CG1-CD1 3.97Å; V205-I221 HydrophobicContact CG1-CG1 4.18Å; A206-I221 WeakPolarHBondContact O-CA 3.49Å; L219-I221 HydrophobicContact CD1-CG2 4.03Å; L219-I221 HydrophobicContact CD2-CG2 4.29Å; L219-I221 HydrophobicContact CG-CG2 3.86Å; I221-Y223 PolarHBondContact O-N 3.38Å
222E97.1Very high91.1Very high54 Ų5432.7 Ų32.725%0.25219%0.193SC..EExtended strand (participates in β ladder)trans-54.9130.5172.2179.4-172.3-178.200111.2V205 A206 V224 K285V205-E222 HydrophobicContact CG1-CB 4.29Å; A206-E222 HydrophobicContact CB-CB 4.19Å; A206-E222 PolarHBondContact N-OE2 2.68Å; A206-E222 PolarHBondContact O-N 2.98Å; E222-V224 HydrophobicContact CG-CG2 4.47Å; E222-K285 IonicContact OE1-NZ 3.96Å; E222-K285 PolarHBondContact OE1-NZ 3.45Å; E222-K285 IonicContact OE2-NZ 3.46Å; E222-K285 PolarHBondContact OE2-NZ 3.14Å
223Y98Very high91.9Very high56 Ų5633.4 Ų33.422%0.2220%0.197CC..  trans-79.5119.5167.6176.8-108000110.9L149 K159 P170 A172 I221 N225L149-Y223 HydrophobicContact CD1-CD2 4.05Å; L149-Y223 HydrophobicContact CD1-CE2 3.76Å; L149-Y223 HydrophobicContact CD2-CE2 4.32Å; K159-Y223 HydrophobicContact CB-CE2 4.48Å; K159-Y223 HydrophobicContact CD-CD2 4.28Å; K159-Y223 HydrophobicContact CD-CE1 4.11Å; K159-Y223 HydrophobicContact CD-CE2 3.75Å; K159-Y223 HydrophobicContact CG-CD2 4.1Å; K159-Y223 HydrophobicContact CG-CE2 4.02Å; K159-Y223 HydrophobicContact CG-CG 4.5Å; P170-Y223 HydrophobicContact CB-CD1 4.04Å; P170-Y223 HydrophobicContact CB-CG 4.43Å; A172-Y223 HydrophobicContact CB-CD2 4.47Å; I221-Y223 PolarHBondContact O-N 3.38Å; Y223-N225 HydrophobicContact CD1-CB 4.31Å; Y223-N225 HydrophobicContact CE1-CB 3.74Å
224V98.1Very high93Very high8 Ų837.9 Ų37.95%0.04821%0.213CC..  trans-99.6115.4175.1-174.70000109.5V205 E222 G226 L273 V274 K285V205-V224 HydrophobicContact CG2-CG2 3.92Å; E222-V224 HydrophobicContact CG-CG2 4.47Å; V224-G226 PolarHBondContact O-N 2.84Å; V224-L273 HydrophobicContact CB-CB 3.69Å; V224-L273 HydrophobicContact CB-CD1 3.88Å; V224-L273 HydrophobicContact CB-CG 4.43Å; V224-L273 HydrophobicContact CG1-CB 3.69Å; V224-L273 HydrophobicContact CG2-CB 4.01Å; V224-L273 HydrophobicContact CG2-CD1 3.93Å; V224-V274 WeakPolarHBondContact CG1-O 3.44Å; V224-K285 HydrophobicContact CG2-CD 4Å
225N97Very high94.7Very high82 Ų8239.2 Ų39.244%0.43922%0.217SC..THydrogen-bonded Turntrans-79.4-8.4-161.568-28.4000116.9Y223 S275 K276Y223-N225 HydrophobicContact CD1-CB 4.31Å; Y223-N225 HydrophobicContact CE1-CB 3.74Å; N225-S275 WeakPolarHBondContact OD1-CA 3.42Å; N225-K276 PolarHBondContact ND2-O 3.2Å; N225-K276 PolarHBondContact OD1-N 3.37Å; N225-K276 PolarHBondContact OD1-O 3.24Å
226G97Very high95.9Very high11 Ų1137.7 Ų37.711%0.11320%0.202CC..THydrogen-bonded Turntrans-93.7-10.1179.200000115.2V224 V274V224-G226 PolarHBondContact O-N 2.84Å; G226-V274 CarbonylContact C-O 3.55Å; G226-V274 WeakPolarHBondContact CA-O 3.5Å; G226-V274 PolarHBondContact N-O 3.43Å
227G96.6Very high96.5Very high32 Ų3246.2 Ų46.233%0.3324%0.238SC..  trans85.1-171.8-177.100000113.5L273 V274G227-L273 WeakPolarHBondContact O-CA 3.39Å; G227-V274 PolarHBondContact O-N 2.82Å
228S97.4Very high96.9Very high16 Ų1647 Ų4711%0.11224%0.242CC..BIsolated β-bridgetrans-74.9147.8179.162.10000112.1D230 N231 I232 I272S228-D230 VanDerWaalsContact C-N 3.32Å; S228-D230 WeakPolarHBondContact CB-OD1 3.44Å; S228-D230 PolarHBondContact O-N 3.27Å; S228-D230 PolarHBondContact OG-OD1 2.97Å; S228-N231 PolarHBondContact O-N 3.39Å; S228-N231 WeakPolarHBondContact OG-CB 3.37Å; S228-N231 PolarHBondContact OG-ND2 2.57Å; S228-I232 WeakPolarHBondContact O-CG1 3.37Å; S228-I232 PolarHBondContact O-N 2.73Å; S228-I232 VanDerWaalsContact O-N 3.13Å; S228-I272 CarbonylContact C-O 3.51Å; S228-I272 WeakPolarHBondContact CA-O 3.47Å
229F98.5Very high97Very high0 Ų048.2 Ų48.20%025%0.254CS..Hα-helixtrans-67.3-35.4-174.3-173.5-149.1000111.8N231 I232 L233 I238 I243 I246 T269 I272 V274 A339F229-N231 VanDerWaalsContact C-N 3.33Å; F229-N231 PolarHBondContact O-N 3.1Å; F229-I232 PolarHBondContact O-N 2.9Å; F229-L233 HydrophobicContact CD1-CD1 4.05Å; F229-L233 HydrophobicContact CD2-CD1 4.06Å; F229-L233 HydrophobicContact CD2-CG 3.95Å; F229-L233 HydrophobicContact CE1-CD1 4Å; F229-L233 HydrophobicContact CE2-CD1 4Å; F229-L233 HydrophobicContact CE2-CD2 3.9Å; F229-L233 HydrophobicContact CE2-CG 3.77Å; F229-L233 HydrophobicContact CG-CD1 4.08Å; F229-L233 HydrophobicContact CG-CG 4.46Å; F229-L233 HydrophobicContact CZ-CD1 3.97Å; F229-L233 HydrophobicContact CZ-CD2 4.05Å; F229-L233 HydrophobicContact CZ-CG 4.13Å; F229-L233 WeakPolarHBondContact O-CB 3.42Å; F229-L233 WeakPolarHBondContact O-CD1 2.96Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 3.22Å; F229-I238 HydrophobicContact CE2-CD1 3.75Å; F229-I238 HydrophobicContact CZ-CD1 4.5Å; F229-I243 HydrophobicContact CZ-CB 4.35Å; F229-I243 HydrophobicContact CZ-CG1 4.2Å; F229-I243 HydrophobicContact CZ-CG2 4.1Å; F229-I246 HydrophobicContact CD1-CG2 3.86Å; F229-I246 HydrophobicContact CD2-CD1 3.93Å; F229-I246 HydrophobicContact CD2-CG2 4.21Å; F229-I246 HydrophobicContact CE1-CB 4.36Å; F229-I246 HydrophobicContact CE1-CG2 3.76Å; F229-I246 HydrophobicContact CE2-CB 4.37Å; F229-I246 HydrophobicContact CE2-CD1 3.48Å; F229-I246 VanDerWaalsContact CE2-CD1 3.48Å; F229-I246 HydrophobicContact CE2-CG2 4.13Å; F229-I246 HydrophobicContact CG-CG2 4.09Å; F229-I246 HydrophobicContact CZ-CB 4.1Å; F229-I246 HydrophobicContact CZ-CD1 4.03Å; F229-I246 HydrophobicContact CZ-CG2 3.91Å; F229-T269 WeakPolarHBondContact CB-O 3.17Å; F229-T269 HydrophobicContact CD1-CG2 3.98Å; F229-T269 HydrophobicContact CE1-CG2 4.43Å; F229-T269 PolarHBondContact N-O 3.31Å; F229-I272 HydrophobicContact CB-CB 3.91Å; F229-I272 HydrophobicContact CB-CG2 3.97Å; F229-I272 WeakPolarHBondContact CB-O 3.49Å; F229-I272 HydrophobicContact CD1-CB 4.49Å; F229-I272 HydrophobicContact CD1-CD1 4.26Å; F229-I272 HydrophobicContact CD1-CG2 4.36Å; F229-I272 HydrophobicContact CG-CG2 4.44Å; F229-I272 PolarHBondContact N-O 3.13Å; F229-V274 HydrophobicContact CB-CG2 3.98Å; F229-V274 HydrophobicContact CD2-CG2 4.05Å; F229-V274 HydrophobicContact CG-CG2 4.25Å; F229-A339 HydrophobicContact CD1-CB 4.48Å; F229-A339 HydrophobicContact CE1-CB 3.59Å; F229-A339 HydrophobicContact CZ-CB 4.1Å
230D98.3Very high97Very high18 Ų1850.9 Ų50.910%0.09627%0.272CS..Hα-helixtrans-60.1-41.8175.181.9-54.6000112.6S228 L233 K234 T269 A343S228-D230 VanDerWaalsContact C-N 3.32Å; S228-D230 WeakPolarHBondContact CB-OD1 3.44Å; S228-D230 PolarHBondContact O-N 3.27Å; S228-D230 PolarHBondContact OG-OD1 2.97Å; D230-L233 PolarHBondContact O-N 3.46Å; D230-K234 WeakPolarHBondContact O-CD 3.47Å; D230-K234 VanDerWaalsContact O-CG 3.27Å; D230-K234 WeakPolarHBondContact O-CG 3.5Å; D230-K234 PolarHBondContact O-N 3.43Å; D230-K234 IonicContact OD2-NZ 2.71Å; D230-K234 PolarHBondContact OD2-NZ 2.92Å; D230-T269 WeakPolarHBondContact CB-OG1 3.38Å; D230-T269 PolarHBondContact N-O 3.47Å; D230-A343 HydrophobicContact CB-CB 3.82Å
231N97.8Very high97Very high82 Ų8252.3 Ų52.344%0.43928%0.278SS..Hα-helixtrans-68.1-38.1176.7-79.5-35.8000111.5S228 F229 K234 N235S228-N231 PolarHBondContact O-N 3.39Å; S228-N231 WeakPolarHBondContact OG-CB 3.37Å; S228-N231 PolarHBondContact OG-ND2 2.57Å; F229-N231 VanDerWaalsContact C-N 3.33Å; F229-N231 PolarHBondContact O-N 3.1Å; N231-K234 PolarHBondContact O-N 3.27Å; N231-N235 WeakPolarHBondContact O-CB 3.35Å; N231-N235 PolarHBondContact O-N 2.92Å; N231-N235 VanDerWaalsContact O-N 3.14Å; N231-N235 PolarHBondContact O-ND2 2.8Å
232I98.4Very high97Very high3 Ų353 Ų532%0.01528%0.283CS..Hα-helixtrans-62.7-47.6173.9-67.5166.8000110S228 F229 K234 N235 E236 I238 V274 L281S228-I232 WeakPolarHBondContact O-CG1 3.37Å; S228-I232 PolarHBondContact O-N 2.73Å; S228-I232 VanDerWaalsContact O-N 3.13Å; F229-I232 PolarHBondContact O-N 2.9Å; I232-K234 VanDerWaalsContact C-N 3.28Å; I232-K234 PolarHBondContact O-N 2.85Å; I232-N235 PolarHBondContact O-N 3.35Å; I232-E236 HydrophobicContact CG2-CB 4.26Å; I232-E236 WeakPolarHBondContact O-CA 3.29Å; I232-E236 WeakPolarHBondContact O-CB 3.47Å; I232-E236 PolarHBondContact O-N 2.66Å; I232-I238 HydrophobicContact CG2-CD1 4.2Å; I232-I238 HydrophobicContact CG2-CG2 4.12Å; I232-V274 HydrophobicContact CD1-CB 3.57Å; I232-V274 HydrophobicContact CD1-CG1 4.24Å; I232-V274 HydrophobicContact CD1-CG2 3.71Å; I232-L281 HydrophobicContact CD1-CD2 4.07Å; I232-L281 HydrophobicContact CG2-CD1 3.72Å; I232-L281 HydrophobicContact CG2-CD2 4.42Å
233L98.4Very high97Very high20 Ų2050.9 Ų50.911%0.10527%0.274CS..Hα-helixtrans-60.3-35.4-179.9-73.1164.2000113.2F229 D230 I238 I243 T269 A339 A343F229-L233 HydrophobicContact CD1-CD1 4.05Å; F229-L233 HydrophobicContact CD2-CD1 4.06Å; F229-L233 HydrophobicContact CD2-CG 3.95Å; F229-L233 HydrophobicContact CE1-CD1 4Å; F229-L233 HydrophobicContact CE2-CD1 4Å; F229-L233 HydrophobicContact CE2-CD2 3.9Å; F229-L233 HydrophobicContact CE2-CG 3.77Å; F229-L233 HydrophobicContact CG-CD1 4.08Å; F229-L233 HydrophobicContact CG-CG 4.46Å; F229-L233 HydrophobicContact CZ-CD1 3.97Å; F229-L233 HydrophobicContact CZ-CD2 4.05Å; F229-L233 HydrophobicContact CZ-CG 4.13Å; F229-L233 WeakPolarHBondContact O-CB 3.42Å; F229-L233 WeakPolarHBondContact O-CD1 2.96Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 3.22Å; D230-L233 PolarHBondContact O-N 3.46Å; L233-I238 HydrophobicContact CD2-CD1 3.72Å; L233-I238 HydrophobicContact CD2-CG1 4.22Å; L233-I238 HydrophobicContact CG-CD1 4.46Å; L233-I243 HydrophobicContact CD2-CD1 3.83Å; L233-I243 HydrophobicContact CD2-CG1 4Å; L233-T269 HydrophobicContact CD1-CG2 4.06Å; L233-A339 HydrophobicContact CD1-CB 4.14Å; L233-A339 VanDerWaalsContact CD2-O 3.27Å; L233-A339 WeakPolarHBondContact CD2-O 3.32Å; L233-A343 HydrophobicContact CB-CB 4.06Å; L233-A343 HydrophobicContact CD1-CB 4.07Å
234K97.8Very high97Very high115 Ų11548.2 Ų48.250%0.526%0.263SS..Hα-helixtrans-78-30.2179.3-70.9163.7-173.5160.10113.5D230 N231 I232 A343D230-K234 WeakPolarHBondContact O-CD 3.47Å; D230-K234 VanDerWaalsContact O-CG 3.27Å; D230-K234 WeakPolarHBondContact O-CG 3.5Å; D230-K234 PolarHBondContact O-N 3.43Å; D230-K234 IonicContact OD2-NZ 2.71Å; D230-K234 PolarHBondContact OD2-NZ 2.92Å; N231-K234 PolarHBondContact O-N 3.27Å; I232-K234 VanDerWaalsContact C-N 3.28Å; I232-K234 PolarHBondContact O-N 2.85Å; K234-A343 HydrophobicContact CG-CB 4.26Å
235N97.2Very high97Very high126 Ų12653.8 Ų53.867%0.67428%0.283SS*.Hα-helixtrans-114.9-15.8-167.5-62.7-67.4000114.4N231 I232N231-N235 WeakPolarHBondContact O-CB 3.35Å; N231-N235 PolarHBondContact O-N 2.92Å; N231-N235 VanDerWaalsContact O-N 3.14Å; N231-N235 PolarHBondContact O-ND2 2.8Å; I232-N235 PolarHBondContact O-N 3.35Å
236E95.9Very high97.1Very high74 Ų7450 Ų5035%0.34626%0.263SS..SBendtrans-124.1139-177.2-63.1176.7-145.900110.6I232 I238 K276I232-E236 HydrophobicContact CG2-CB 4.26Å; I232-E236 WeakPolarHBondContact O-CA 3.29Å; I232-E236 WeakPolarHBondContact O-CB 3.47Å; I232-E236 PolarHBondContact O-N 2.66Å; E236-I238 HydrophobicContact CB-CG2 4.08Å; E236-I238 PolarHBondContact O-N 2.78Å; E236-K276 IonicContact OE1-NZ 2.83Å; E236-K276 PolarHBondContact OE1-NZ 3.31Å; E236-K276 IonicContact OE2-NZ 3.67Å; E236-K276 PolarHBondContact OE2-NZ 2.82Å
237Q93.9Very high97.2Very high201 Ų20149.5 Ų49.594%0.93926%0.258SS*.  trans-80.4107.9171-67.5-65.8-5.300109.3
238I95.4Very high97.3Very high34 Ų3450.8 Ų50.817%0.17425%0.253CS..  trans-120.5142.9-179.667.1169.5000111.1F229 I232 L233 E236 I243 L281F229-I238 HydrophobicContact CE2-CD1 3.75Å; F229-I238 HydrophobicContact CZ-CD1 4.5Å; I232-I238 HydrophobicContact CG2-CD1 4.2Å; I232-I238 HydrophobicContact CG2-CG2 4.12Å; L233-I238 HydrophobicContact CD2-CD1 3.72Å; L233-I238 HydrophobicContact CD2-CG1 4.22Å; L233-I238 HydrophobicContact CG-CD1 4.46Å; E236-I238 HydrophobicContact CB-CG2 4.08Å; E236-I238 PolarHBondContact O-N 2.78Å; I238-I243 HydrophobicContact CD1-CD1 4.3Å; I238-I243 HydrophobicContact CD1-CG1 3.59Å; I238-I243 HydrophobicContact CG1-CD1 4.19Å; I238-I243 HydrophobicContact CG1-CG1 3.9Å; I238-L281 HydrophobicContact CD1-CD1 4.28Å; I238-L281 HydrophobicContact CG2-CD1 3.93Å
239S95.3Very high97.3Very high61 Ų6150.2 Ų50.243%0.42725%0.248SC..  trans-68.8152.9-179.376.70000112.1K241 T242 I243S239-K241 PolarHBondContact O-N 3.14Å; S239-K241 PolarHBondContact OG-N 2.92Å; S239-T242 WeakPolarHBondContact O-CA 3.36Å; S239-T242 WeakPolarHBondContact O-CB 3.3Å; S239-T242 PolarHBondContact O-N 2.82Å; S239-T242 PolarHBondContact OG-N 3.44Å; S239-T242 PolarHBondContact OG-OG1 3.43Å; S239-I243 PolarHBondContact O-N 2.61Å
240C95.8Very high97.3Very high56 Ų5650.2 Ų50.238%0.37825%0.248SC..Hα-helixtrans-56.1-33.1171.9-71.10000112.5I243 G244 F340 P375 Y406C240-I243 WeakPolarHBondContact O-CB 3.01Å; C240-I243 PolarHBondContact O-N 2.8Å; C240-G244 PolarHBondContact O-N 3.38Å; C240-F340 HydrophobicContact CB-CE1 4.23Å; C240-P375 HydrophobicContact CB-CG 4.02Å; C240-Y406 VanDerWaalsContact CB-OH 3.28Å; C240-Y406 WeakPolarHBondContact CB-OH 3.31Å
241K95.5Very high97.4Very high30 Ų3049.3 Ų49.313%0.1324%0.244CC..Hα-helixtrans-65.4-38.9173.5-73.5-172.3178.2176.10112.7S239 I243 G244 R245 K409 D411S239-K241 PolarHBondContact O-N 3.14Å; S239-K241 PolarHBondContact OG-N 2.92Å; K241-I243 VanDerWaalsContact C-N 3.35Å; K241-G244 PolarHBondContact O-N 2.85Å; K241-R245 WeakPolarHBondContact O-CG 3.47Å; K241-R245 PolarHBondContact O-N 3.47Å; K241-K409 WeakPolarHBondContact CE-O 3.17Å; K241-K409 PolarHBondContact NZ-O 3.31Å; K241-D411 WeakPolarHBondContact CE-OD1 3.43Å; K241-D411 IonicContact NZ-OD1 3.93Å; K241-D411 PolarHBondContact NZ-OD1 3.13Å; K241-D411 IonicContact NZ-OD2 3.46Å; K241-D411 PolarHBondContact NZ-OD2 2.73Å
242T96.8Very high97.4Very high33 Ų3348.2 Ų48.220%0.20223%0.233CC..Hα-helixtrans-64.9-42.4175-54.50000110.8S239 R245 I246 L281S239-T242 WeakPolarHBondContact O-CA 3.36Å; S239-T242 WeakPolarHBondContact O-CB 3.3Å; S239-T242 PolarHBondContact O-N 2.82Å; S239-T242 PolarHBondContact OG-N 3.44Å; S239-T242 PolarHBondContact OG-OG1 3.43Å; T242-R245 PolarHBondContact O-N 2.77Å; T242-I246 HydrophobicContact CG2-CD1 4.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.48Å; T242-I246 PolarHBondContact O-N 3.02Å; T242-I246 VanDerWaalsContact O-N 3.13Å; T242-L281 HydrophobicContact CG2-CB 4.05Å; T242-L281 HydrophobicContact CG2-CD1 3.79Å; T242-L281 HydrophobicContact CG2-CG 4.33Å
243I98Very high97.4Very high11 Ų1148.1 Ų48.16%0.05623%0.233CC..Hα-helixtrans-58.3-49.5173.1-65.5171.2000110.3F229 L233 I238 S239 C240 K241 R245 I246 L247 A339 F340F229-I243 HydrophobicContact CZ-CB 4.35Å; F229-I243 HydrophobicContact CZ-CG1 4.2Å; F229-I243 HydrophobicContact CZ-CG2 4.1Å; L233-I243 HydrophobicContact CD2-CD1 3.83Å; L233-I243 HydrophobicContact CD2-CG1 4Å; I238-I243 HydrophobicContact CD1-CD1 4.3Å; I238-I243 HydrophobicContact CD1-CG1 3.59Å; I238-I243 HydrophobicContact CG1-CD1 4.19Å; I238-I243 HydrophobicContact CG1-CG1 3.9Å; S239-I243 PolarHBondContact O-N 2.61Å; C240-I243 WeakPolarHBondContact O-CB 3.01Å; C240-I243 PolarHBondContact O-N 2.8Å; K241-I243 VanDerWaalsContact C-N 3.35Å; I243-R245 VanDerWaalsContact C-N 3.32Å; I243-R245 PolarHBondContact O-N 2.97Å; I243-I246 PolarHBondContact O-N 3.05Å; I243-L247 HydrophobicContact CG2-CD1 3.75Å; I243-L247 HydrophobicContact CG2-CG 4.34Å; I243-L247 WeakPolarHBondContact O-CG 3.07Å; I243-L247 PolarHBondContact O-N 3.01Å; I243-A339 HydrophobicContact CG2-CB 3.86Å; I243-F340 HydrophobicContact CB-CD1 4.31Å; I243-F340 HydrophobicContact CB-CE1 3.92Å; I243-F340 HydrophobicContact CB-CZ 4.46Å; I243-F340 HydrophobicContact CD1-CD1 4.27Å; I243-F340 HydrophobicContact CG2-CD1 3.73Å; I243-F340 HydrophobicContact CG2-CD2 4.41Å; I243-F340 HydrophobicContact CG2-CE1 3.51Å; I243-F340 HydrophobicContact CG2-CE2 4.22Å; I243-F340 HydrophobicContact CG2-CG 4.17Å; I243-F340 HydrophobicContact CG2-CZ 3.77Å
244G98Very high97.5Very high0 Ų047.1 Ų47.10%023%0.228CC..Hα-helixtrans-56.8-40.7177.300000113.4C240 K241 L247 W248C240-G244 PolarHBondContact O-N 3.38Å; K241-G244 PolarHBondContact O-N 2.85Å; G244-L247 PolarHBondContact O-N 3.12Å; G244-W248 WeakPolarHBondContact O-CB 3.41Å; G244-W248 PolarHBondContact O-N 2.79Å
245R98.1Very high97.5Very high124 Ų12443.8 Ų43.847%0.46821%0.214SC..Hα-helixtrans-65.7-42177.3-73.3174.9-173.6144.24.5112.4K241 T242 I243 W248 D249 C407K241-R245 WeakPolarHBondContact O-CG 3.47Å; K241-R245 PolarHBondContact O-N 3.47Å; T242-R245 PolarHBondContact O-N 2.77Å; I243-R245 VanDerWaalsContact C-N 3.32Å; I243-R245 PolarHBondContact O-N 2.97Å; R245-W248 WeakPolarHBondContact O-CB 3.24Å; R245-W248 PolarHBondContact O-N 3.44Å; R245-D249 PolarHBondContact O-N 3.36Å; R245-C407 HydrophobicContact CG-CB 3.89Å; R245-C407 VanDerWaalsContact CG-SG 3.55Å; R245-C407 PolarHBondContact N-SG 3.49Å
246I98.7Very high97.6Very high4 Ų439 Ų392%0.02119%0.187CC..Hα-helixtrans-66.2-40.6176.3-67.1165.4000110.4F229 T242 I243 W248 D249 V250 I272 V274 L281F229-I246 HydrophobicContact CD1-CG2 3.86Å; F229-I246 HydrophobicContact CD2-CD1 3.93Å; F229-I246 HydrophobicContact CD2-CG2 4.21Å; F229-I246 HydrophobicContact CE1-CB 4.36Å; F229-I246 HydrophobicContact CE1-CG2 3.76Å; F229-I246 HydrophobicContact CE2-CB 4.37Å; F229-I246 HydrophobicContact CE2-CD1 3.48Å; F229-I246 VanDerWaalsContact CE2-CD1 3.48Å; F229-I246 HydrophobicContact CE2-CG2 4.13Å; F229-I246 HydrophobicContact CG-CG2 4.09Å; F229-I246 HydrophobicContact CZ-CB 4.1Å; F229-I246 HydrophobicContact CZ-CD1 4.03Å; F229-I246 HydrophobicContact CZ-CG2 3.91Å; T242-I246 HydrophobicContact CG2-CD1 4.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.48Å; T242-I246 PolarHBondContact O-N 3.02Å; T242-I246 VanDerWaalsContact O-N 3.13Å; I243-I246 PolarHBondContact O-N 3.05Å; I246-W248 VanDerWaalsContact C-N 3.34Å; I246-D249 WeakPolarHBondContact O-CB 3.32Å; I246-D249 PolarHBondContact O-N 3.14Å; I246-V250 VanDerWaalsContact O-CG2 3.3Å; I246-V250 WeakPolarHBondContact O-CG2 3.34Å; I246-V250 PolarHBondContact O-N 2.96Å; I246-V250 VanDerWaalsContact O-N 3.13Å; I246-I272 HydrophobicContact CG2-CG2 3.96Å; I246-V274 HydrophobicContact CD1-CG1 4Å; I246-V274 HydrophobicContact CD1-CG2 4.04Å; I246-V274 HydrophobicContact CG1-CG1 4.39Å; I246-V274 HydrophobicContact CG2-CG2 4.26Å; I246-L281 HydrophobicContact CD1-CB 4.49Å; I246-L281 HydrophobicContact CD1-CD1 3.89Å
247L98.8Very high97.7Very high0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-67-35.7175.3-69170.9000112.1I243 G244 V250 A251 F332 T335 M336 A339 F340 L403I243-L247 HydrophobicContact CG2-CD1 3.75Å; I243-L247 HydrophobicContact CG2-CG 4.34Å; I243-L247 WeakPolarHBondContact O-CG 3.07Å; I243-L247 PolarHBondContact O-N 3.01Å; G244-L247 PolarHBondContact O-N 3.12Å; L247-V250 PolarHBondContact O-N 2.94Å; L247-A251 PolarHBondContact O-N 3.24Å; L247-F332 HydrophobicContact CB-CE2 4.5Å; L247-F332 HydrophobicContact CB-CZ 4.16Å; L247-F332 HydrophobicContact CD2-CE2 4.09Å; L247-F332 HydrophobicContact CD2-CZ 4.36Å; L247-F332 WeakPolarHBondContact O-CZ 3.41Å; L247-T335 HydrophobicContact CD2-CG2 4.48Å; L247-M336 HydrophobicContact CD1-CB 4.27Å; L247-M336 HydrophobicContact CD1-CG 4.04Å; L247-M336 HydrophobicContact CD2-CG 4.12Å; L247-A339 HydrophobicContact CD1-CB 4.2Å; L247-A339 HydrophobicContact CD2-CB 4.19Å; L247-A339 HydrophobicContact CG-CB 4.47Å; L247-F340 HydrophobicContact CD1-CD2 4.2Å; L247-F340 HydrophobicContact CD1-CE2 3.56Å; L247-F340 HydrophobicContact CD1-CZ 4Å; L247-L403 HydrophobicContact CB-CD1 4.12Å; L247-L403 HydrophobicContact CB-CD2 4.41Å
248W98.6Very high97.8Very high59 Ų5930.6 Ų30.622%0.22315%0.147CC..Hα-helixtrans-61.1-44.1172.9174.664.4000111.7G244 R245 I246 V250 A251 R252 A400 L403 Q404G244-W248 WeakPolarHBondContact O-CB 3.41Å; G244-W248 PolarHBondContact O-N 2.79Å; R245-W248 WeakPolarHBondContact O-CB 3.24Å; R245-W248 PolarHBondContact O-N 3.44Å; I246-W248 VanDerWaalsContact C-N 3.34Å; W248-V250 VanDerWaalsContact C-N 3.3Å; W248-V250 PolarHBondContact O-N 3.26Å; W248-A251 PolarHBondContact O-N 2.61Å; W248-R252 WeakPolarHBondContact O-CG 3.18Å; W248-R252 PolarHBondContact O-N 2.83Å; W248-A400 VanDerWaalsContact CD1-O 3.24Å; W248-L403 HydrophobicContact CB-CB 3.98Å; W248-L403 HydrophobicContact CG-CB 4.49Å; W248-Q404 HydrophobicContact CZ2-CG 4.35Å
249D98.8Very high97.9Very high3 Ų335.8 Ų35.82%0.01617%0.17CC..Hα-helixtrans-57.4-43.5174.1-75.6-32.1000112.4T203 R245 I246 R252 A253 R283 G284T203-D249 WeakPolarHBondContact CB-O 3.45Å; T203-D249 HydrophobicContact CG2-CB 3.56Å; T203-D249 VanDerWaalsContact CG2-O 3.32Å; T203-D249 WeakPolarHBondContact CG2-O 3.46Å; T203-D249 PolarHBondContact OG1-O 2.93Å; R245-D249 PolarHBondContact O-N 3.36Å; I246-D249 WeakPolarHBondContact O-CB 3.32Å; I246-D249 PolarHBondContact O-N 3.14Å; D249-R252 WeakPolarHBondContact O-CB 3.4Å; D249-R252 PolarHBondContact O-N 3.03Å; D249-A253 PolarHBondContact O-N 2.64Å; D249-R283 VanDerWaalsContact OD1-CD 3.22Å; D249-R283 WeakPolarHBondContact OD1-CD 3.39Å; D249-R283 IonicContact OD1-CZ 3.16Å; D249-R283 IonicContact OD1-NE 3.76Å; D249-R283 IonicContact OD1-NH1 2.77Å; D249-R283 PolarHBondContact OD1-NH1 3.17Å; D249-R283 WeakPolarHBondContact OD2-CA 3.35Å; D249-R283 VanDerWaalsContact OD2-CD 3.25Å; D249-R283 WeakPolarHBondContact OD2-CD 3.48Å; D249-R283 IonicContact OD2-NH1 3.34Å; D249-G284 WeakPolarHBondContact CB-O 3.49Å; D249-G284 PolarHBondContact OD2-N 3.06Å
250V98.8Very high97.9Very high0 Ų035.6 Ų35.60%016%0.164CC..Hα-helixtrans-67.1-39.4177.8175.20000111I246 L247 W248 R252 A253 L254 I272 I286 F332I246-V250 VanDerWaalsContact O-CG2 3.3Å; I246-V250 WeakPolarHBondContact O-CG2 3.34Å; I246-V250 PolarHBondContact O-N 2.96Å; I246-V250 VanDerWaalsContact O-N 3.13Å; L247-V250 PolarHBondContact O-N 2.94Å; W248-V250 VanDerWaalsContact C-N 3.3Å; W248-V250 PolarHBondContact O-N 3.26Å; V250-R252 VanDerWaalsContact C-N 3.3Å; V250-R252 PolarHBondContact O-N 3.23Å; V250-A253 WeakPolarHBondContact O-CB 3.2Å; V250-A253 PolarHBondContact O-N 3.13Å; V250-A253 VanDerWaalsContact O-N 3.17Å; V250-L254 WeakPolarHBondContact O-CG 3.17Å; V250-L254 PolarHBondContact O-N 3.25Å; V250-I272 HydrophobicContact CG1-CD1 4.24Å; V250-I272 HydrophobicContact CG2-CB 4.5Å; V250-I272 HydrophobicContact CG2-CD1 3.63Å; V250-I272 HydrophobicContact CG2-CG1 3.78Å; V250-I272 HydrophobicContact CG2-CG2 3.87Å; V250-I286 HydrophobicContact CG1-CD1 3.89Å; V250-I286 HydrophobicContact CG1-CG1 3.94Å; V250-I286 HydrophobicContact CG2-CG1 4.4Å; V250-F332 HydrophobicContact CB-CD2 4.42Å; V250-F332 HydrophobicContact CB-CE2 3.82Å; V250-F332 HydrophobicContact CG1-CD2 3.6Å; V250-F332 HydrophobicContact CG1-CE2 3.5Å; V250-F332 VanDerWaalsContact CG1-CE2 3.5Å
251A98.8Very high97.9Very high0 Ų035.9 Ų35.90%017%0.167CC..Hα-helixtrans-61-40.3173.600000111.8L247 W248 L254 I255 F332 I396 A400 L403L247-A251 PolarHBondContact O-N 3.24Å; W248-A251 PolarHBondContact O-N 2.61Å; A251-L254 PolarHBondContact O-N 2.89Å; A251-I255 WeakPolarHBondContact O-CG1 3.25Å; A251-I255 PolarHBondContact O-N 2.72Å; A251-F332 HydrophobicContact CB-CE1 4.42Å; A251-F332 HydrophobicContact CB-CZ 4.08Å; A251-I396 HydrophobicContact CB-CD1 4.02Å; A251-I396 HydrophobicContact CB-CG1 4.38Å; A251-A400 HydrophobicContact CB-CB 3.91Å; A251-L403 HydrophobicContact CB-CD1 4.31Å
252R98.8Very high98Very high59 Ų5934.4 Ų34.422%0.22316%0.16CC..Hα-helixtrans-64.9-39173.7-66.9175.166.6-141.8-2.9112.6E202 W248 D249 V250 L254 I255 Y256E202-R252 IonicContact OE1-CZ 3.93Å; E202-R252 IonicContact OE1-NH1 3.9Å; E202-R252 PolarHBondContact OE1-NH1 2.93Å; E202-R252 IonicContact OE1-NH2 2.93Å; E202-R252 PolarHBondContact OE1-NH2 2.93Å; W248-R252 WeakPolarHBondContact O-CG 3.18Å; W248-R252 PolarHBondContact O-N 2.83Å; D249-R252 WeakPolarHBondContact O-CB 3.4Å; D249-R252 PolarHBondContact O-N 3.03Å; V250-R252 VanDerWaalsContact C-N 3.3Å; V250-R252 PolarHBondContact O-N 3.23Å; R252-L254 VanDerWaalsContact C-N 3.34Å; R252-I255 PolarHBondContact O-N 3.03Å; R252-Y256 PolarHBondContact O-N 3.12Å; R252-Y256 VanDerWaalsContact O-N 3.08Å
253A98.8Very high98Very high0 Ų032.9 Ų32.90%015%0.151CC..Hα-helixtrans-61.1-44.7173.700000111T203 V204 D249 V250 Y256 L257 I286T203-A253 VanDerWaalsContact O-CB 3.29Å; T203-A253 WeakPolarHBondContact O-CB 3.44Å; T203-A253 WeakPolarHBondContact OG1-CA 3.41Å; T203-A253 WeakPolarHBondContact OG1-CB 3.31Å; T203-A253 PolarHBondContact OG1-N 2.84Å; V204-A253 HydrophobicContact CG2-CB 3.9Å; D249-A253 PolarHBondContact O-N 2.64Å; V250-A253 WeakPolarHBondContact O-CB 3.2Å; V250-A253 PolarHBondContact O-N 3.13Å; V250-A253 VanDerWaalsContact O-N 3.17Å; A253-Y256 WeakPolarHBondContact O-CB 3.34Å; A253-Y256 PolarHBondContact O-N 3.37Å; A253-Y256 VanDerWaalsContact O-N 3.17Å; A253-L257 WeakPolarHBondContact O-CG 3.47Å; A253-L257 PolarHBondContact O-N 2.95Å; A253-I286 HydrophobicContact CB-CB 4.29Å; A253-I286 HydrophobicContact CB-CD1 3.42Å; A253-I286 VanDerWaalsContact CB-CD1 3.42Å; A253-I286 HydrophobicContact CB-CG1 3.72Å
254L98.8Very high97.9Very high0 Ų032.3 Ų32.30%015%0.148CC..Hα-helixtrans-63.3-41.4177.2-71.6177.4000112.4V250 A251 R252 Y256 L257 K258 I267 I286 F325 D328 F332 I396V250-L254 WeakPolarHBondContact O-CG 3.17Å; V250-L254 PolarHBondContact O-N 3.25Å; A251-L254 PolarHBondContact O-N 2.89Å; R252-L254 VanDerWaalsContact C-N 3.34Å; L254-Y256 VanDerWaalsContact C-N 3.28Å; L254-Y256 PolarHBondContact O-N 3.48Å; L254-L257 HydrophobicContact CD2-CD1 4.38Å; L254-L257 PolarHBondContact O-N 3.31Å; L254-K258 PolarHBondContact O-N 3.29Å; L254-I267 HydrophobicContact CD2-CD1 3.95Å; L254-I267 HydrophobicContact CD2-CG1 4.14Å; L254-I286 HydrophobicContact CD2-CD1 3.91Å; L254-I286 HydrophobicContact CG-CD1 3.98Å; L254-F325 HydrophobicContact CB-CZ 4.04Å; L254-F325 VanDerWaalsContact O-CE2 3.27Å; L254-F325 WeakPolarHBondContact O-CE2 3.44Å; L254-F325 WeakPolarHBondContact O-CZ 3.25Å; L254-D328 HydrophobicContact CD2-CB 4.19Å; L254-F332 HydrophobicContact CD1-CB 3.71Å; L254-F332 HydrophobicContact CD1-CD2 3.85Å; L254-F332 HydrophobicContact CD1-CG 3.8Å; L254-I396 HydrophobicContact CB-CD1 4.24Å; L254-I396 HydrophobicContact CB-CG1 3.78Å; L254-I396 HydrophobicContact CD1-CD1 3.81Å; L254-I396 HydrophobicContact CD1-CG1 4.27Å
255I98.7Very high97.8Very high44 Ų4432.5 Ų32.523%0.22615%0.149CC..Hα-helixtrans-55.3-47.4171.9-68.8163.9000110.5A251 R252 K258 Q259 I396 A400A251-I255 WeakPolarHBondContact O-CG1 3.25Å; A251-I255 PolarHBondContact O-N 2.72Å; R252-I255 PolarHBondContact O-N 3.03Å; I255-K258 WeakPolarHBondContact O-CB 3.41Å; I255-K258 PolarHBondContact O-N 3Å; I255-Q259 WeakPolarHBondContact O-CG 3.43Å; I255-Q259 PolarHBondContact O-N 3.49Å; I255-I396 HydrophobicContact CG1-CG1 4.33Å; I255-I396 HydrophobicContact CG1-CG2 3.72Å; I255-A400 HydrophobicContact CD1-CB 3.83Å
256Y98.6Very high97.7Very high27 Ų2727.3 Ų27.311%0.10613%0.13CC..Hα-helixtrans-64.2-40.1178.6170.1-103.6000112.7L198 F201 V204 R252 A253 L254 Q259 N260L198-Y256 VanDerWaalsContact C-OH 3.24Å; L198-Y256 HydrophobicContact CB-CE1 4.39Å; L198-Y256 HydrophobicContact CD2-CE1 4.13Å; L198-Y256 PolarHBondContact O-OH 2.91Å; F201-Y256 HydrophobicContact CB-CD1 3.83Å; F201-Y256 HydrophobicContact CB-CD2 4.32Å; F201-Y256 HydrophobicContact CB-CE1 3.53Å; F201-Y256 HydrophobicContact CB-CE2 4.07Å; F201-Y256 HydrophobicContact CB-CG 4.19Å; F201-Y256 AromaticContact CD1-CD1 3.79Å; F201-Y256 HydrophobicContact CD1-CD1 3.79Å; F201-Y256 HydrophobicContact CD1-CD2 4.36Å; F201-Y256 HydrophobicContact CD1-CE1 4.39Å; F201-Y256 AromaticContact CD1-CG 3.74Å; F201-Y256 HydrophobicContact CD1-CG 3.74Å; F201-Y256 AromaticContact CD2-CD2 3.87Å; F201-Y256 HydrophobicContact CD2-CD2 3.87Å; F201-Y256 HydrophobicContact CD2-CE2 4.11Å; F201-Y256 HydrophobicContact CD2-CG 4.1Å; F201-Y256 HydrophobicContact CE1-CG 4.07Å; F201-Y256 HydrophobicContact CE2-CD2 4.24Å; F201-Y256 HydrophobicContact CE2-CG 4.43Å; F201-Y256 AromaticContact CG-CD1 3.83Å; F201-Y256 HydrophobicContact CG-CD1 3.83Å; F201-Y256 AromaticContact CG-CD2 3.94Å; F201-Y256 HydrophobicContact CG-CD2 3.94Å; F201-Y256 HydrophobicContact CG-CE1 4.03Å; F201-Y256 HydrophobicContact CG-CE2 4.15Å; F201-Y256 AromaticContact CG-CG 3.75Å; F201-Y256 HydrophobicContact CG-CG 3.75Å; F201-Y256 HydrophobicContact CZ-CG 4.41Å; V204-Y256 HydrophobicContact CG2-CD1 3.96Å; V204-Y256 HydrophobicContact CG2-CE1 4.26Å; R252-Y256 PolarHBondContact O-N 3.12Å; R252-Y256 VanDerWaalsContact O-N 3.08Å; A253-Y256 WeakPolarHBondContact O-CB 3.34Å; A253-Y256 PolarHBondContact O-N 3.37Å; A253-Y256 VanDerWaalsContact O-N 3.17Å; L254-Y256 VanDerWaalsContact C-N 3.28Å; L254-Y256 PolarHBondContact O-N 3.48Å; Y256-Q259 PolarHBondContact O-N 3.29Å; Y256-N260 WeakPolarHBondContact CD2-ND2 3.37Å; Y256-N260 VanDerWaalsContact CE2-ND2 3.26Å; Y256-N260 WeakPolarHBondContact CE2-ND2 3.26Å; Y256-N260 PolarHBondContact O-N 3.45Å; Y256-N260 VanDerWaalsContact O-N 3.16Å; Y256-N260 PolarHBondContact O-ND2 3.32Å
257L98.3Very high97.7Very high0 Ų027.2 Ų27.20%013%0.13CC..Hα-helixtrans-62.9-41.5173.3-64.9-173.4000111.7L198 A253 L254 Q259 N260 S261 V262 H264 F289L198-L257 HydrophobicContact CD1-CD2 3.66Å; L198-L257 HydrophobicContact CD2-CD2 3.84Å; L198-L257 HydrophobicContact CG-CD2 4.44Å; A253-L257 WeakPolarHBondContact O-CG 3.47Å; A253-L257 PolarHBondContact O-N 2.95Å; L254-L257 HydrophobicContact CD2-CD1 4.38Å; L254-L257 PolarHBondContact O-N 3.31Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.98Å; L257-N260 CarbonylContact O-C 3.52Å; L257-N260 PolarHBondContact O-N 3.47Å; L257-N260 VanDerWaalsContact O-N 3.1Å; L257-S261 PolarHBondContact O-N 2.99Å; L257-S261 VanDerWaalsContact O-N 3.1Å; L257-V262 CarbonylContact C-O 3.58Å; L257-V262 HydrophobicContact CB-CB 4.3Å; L257-V262 HydrophobicContact CD2-CB 4.26Å; L257-V262 HydrophobicContact CD2-CG1 4.11Å; L257-V262 PolarHBondContact O-N 2.87Å; L257-H264 HydrophobicContact CD1-CB 4.28Å; L257-F289 HydrophobicContact CD1-CE1 4.13Å; L257-F289 HydrophobicContact CD1-CZ 4.45Å; L257-F289 HydrophobicContact CD2-CE1 3.84Å; L257-F289 HydrophobicContact CD2-CZ 4.23Å
258K97.1Very high97.7Very high98 Ų9827.3 Ų27.343%0.42613%0.13SC..Hα-helixtrans-56.8-48.2174.8-162.9171.6-172151.50111.4L254 I255 N260 S261 F325 E326L254-K258 PolarHBondContact O-N 3.29Å; I255-K258 WeakPolarHBondContact O-CB 3.41Å; I255-K258 PolarHBondContact O-N 3Å; K258-N260 PolarHBondContact O-N 3.19Å; K258-S261 PolarHBondContact O-N 3.23Å; K258-F325 HydrophobicContact CB-CD1 4.32Å; K258-F325 HydrophobicContact CB-CD2 3.71Å; K258-F325 HydrophobicContact CB-CE1 4.05Å; K258-F325 HydrophobicContact CB-CE2 3.4Å; K258-F325 VanDerWaalsContact CB-CE2 3.4Å; K258-F325 HydrophobicContact CB-CG 4.16Å; K258-F325 HydrophobicContact CB-CZ 3.58Å; K258-F325 HydrophobicContact CD-CD1 3.53Å; K258-F325 HydrophobicContact CD-CD2 4.33Å; K258-F325 HydrophobicContact CD-CE1 3.68Å; K258-F325 HydrophobicContact CD-CE2 4.46Å; K258-F325 HydrophobicContact CD-CG 3.87Å; K258-F325 HydrophobicContact CD-CZ 4.15Å; K258-F325 HydrophobicContact CG-CB 4.49Å; K258-F325 HydrophobicContact CG-CD1 3.94Å; K258-F325 HydrophobicContact CG-CD2 3.78Å; K258-F325 HydrophobicContact CG-CE1 4.11Å; K258-F325 HydrophobicContact CG-CE2 3.98Å; K258-F325 HydrophobicContact CG-CG 3.76Å; K258-F325 HydrophobicContact CG-CZ 4.13Å; K258-E326 IonicContact NZ-OE1 2.83Å; K258-E326 PolarHBondContact NZ-OE1 3.46Å; K258-E326 VanDerWaalsContact NZ-OE1 3.16Å
259Q96.7Very high97.6Very high143 Ų14324.5 Ų24.567%0.66812%0.12SC*.Hα-helixtrans-60.7-29.9179.3-71.5170.6-15.500112.4I255 Y256 L257I255-Q259 WeakPolarHBondContact O-CG 3.43Å; I255-Q259 PolarHBondContact O-N 3.49Å; Y256-Q259 PolarHBondContact O-N 3.29Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.98Å
260N96.3Very high97.6Very high57 Ų5728.1 Ų28.131%0.30513%0.133SC..THydrogen-bonded Turntrans-94.210.9176.7-71.6-83.7000113.4L198 Y256 L257 K258 V262L198-N260 HydrophobicContact CD2-CB 3.56Å; Y256-N260 WeakPolarHBondContact CD2-ND2 3.37Å; Y256-N260 VanDerWaalsContact CE2-ND2 3.26Å; Y256-N260 WeakPolarHBondContact CE2-ND2 3.26Å; Y256-N260 PolarHBondContact O-N 3.45Å; Y256-N260 VanDerWaalsContact O-N 3.16Å; Y256-N260 PolarHBondContact O-ND2 3.32Å; L257-N260 CarbonylContact O-C 3.52Å; L257-N260 PolarHBondContact O-N 3.47Å; L257-N260 VanDerWaalsContact O-N 3.1Å; K258-N260 PolarHBondContact O-N 3.19Å; N260-V262 HydrophobicContact CB-CG2 4.47Å; N260-V262 PolarHBondContact O-N 2.59Å
261S95.9Very high97.5Very high61 Ų6128.9 Ų28.943%0.42714%0.137SC..THydrogen-bonded Turntrans53.339.2-178-56.50000112.8L257 K258 Y294 L295L257-S261 PolarHBondContact O-N 2.99Å; L257-S261 VanDerWaalsContact O-N 3.1Å; K258-S261 PolarHBondContact O-N 3.23Å; S261-Y294 CarbonylContact O-C 3.59Å; S261-Y294 VanDerWaalsContact O-CA 3.3Å; S261-Y294 WeakPolarHBondContact O-CA 3.44Å; S261-L295 PolarHBondContact O-N 3.09Å
262V96.8Very high97.5Very high0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-109.7134.4176.7172.50000109.6L194 L198 L257 N260 R293 Y294L194-V262 HydrophobicContact CD1-CG1 4.39Å; L194-V262 HydrophobicContact CD2-CG1 4.14Å; L194-V262 HydrophobicContact CD2-CG2 4.46Å; L194-V262 HydrophobicContact CG-CG2 4.49Å; L198-V262 HydrophobicContact CD2-CB 4.38Å; L198-V262 HydrophobicContact CD2-CG2 3.83Å; L198-V262 HydrophobicContact CG-CG2 4.38Å; L257-V262 CarbonylContact C-O 3.58Å; L257-V262 HydrophobicContact CB-CB 4.3Å; L257-V262 HydrophobicContact CD2-CB 4.26Å; L257-V262 HydrophobicContact CD2-CG1 4.11Å; L257-V262 PolarHBondContact O-N 2.87Å; N260-V262 HydrophobicContact CB-CG2 4.47Å; N260-V262 PolarHBondContact O-N 2.59Å; V262-R293 WeakPolarHBondContact CA-O 3.45Å; V262-Y294 HydrophobicContact CG2-CD1 3.7Å; V262-Y294 HydrophobicContact CG2-CE1 3.52Å
263I96.2Very high97.5Very high0 Ų027.9 Ų27.90%014%0.136CC..EExtended strand (participates in β ladder)trans-107.6140.4162.256.2166.7000109.7R265 S292 R293 L295 F300 W323 D328I263-R265 HydrophobicContact CB-CG 4.33Å; I263-R265 HydrophobicContact CD1-CG 3.61Å; I263-R265 HydrophobicContact CG1-CG 3.93Å; I263-S292 CarbonylContact O-C 3.59Å; I263-S292 WeakPolarHBondContact O-CA 3.48Å; I263-S292 WeakPolarHBondContact O-CB 3.46Å; I263-R293 HydrophobicContact CG1-CB 4.38Å; I263-R293 PolarHBondContact N-O 3.17Å; I263-R293 PolarHBondContact O-N 2.98Å; I263-L295 HydrophobicContact CD1-CD2 4.08Å; I263-L295 HydrophobicContact CG1-CD2 4.22Å; I263-L295 HydrophobicContact CG1-CG 4.48Å; I263-L295 HydrophobicContact CG2-CD1 3.75Å; I263-L295 HydrophobicContact CG2-CD2 3.89Å; I263-L295 HydrophobicContact CG2-CG 3.81Å; I263-F300 HydrophobicContact CD1-CE1 3.49Å; I263-F300 VanDerWaalsContact CD1-CE1 3.49Å; I263-F300 HydrophobicContact CD1-CZ 3.71Å; I263-W323 HydrophobicContact CD1-CB 3.9Å; I263-W323 HydrophobicContact CD1-CE3 4.44Å; I263-W323 HydrophobicContact CD1-CG 4.49Å; I263-D328 VanDerWaalsContact CA-OD2 3.28Å; I263-D328 WeakPolarHBondContact CA-OD2 3.27Å
264H96.8Very high97.5Very high0 Ų027.9 Ų27.90%014%0.136CC..  trans-83.9-45.4-178-164.2-77.7000112.3L257 D266 I267 I286 S287 D288 F289 M291 S292 D328L257-H264 HydrophobicContact CD1-CB 4.28Å; H264-D266 PolarHBondContact ND1-N 3.44Å; H264-D266 PolarHBondContact ND1-O 2.78Å; H264-D266 PolarHBondContact O-N 3.39Å; H264-I267 HydrophobicContact CB-CD1 3.49Å; H264-I267 VanDerWaalsContact CB-CD1 3.49Å; H264-I267 HydrophobicContact CB-CG1 3.95Å; H264-I286 WeakPolarHBondContact CD2-CG2 3.22Å; H264-I286 WeakPolarHBondContact NE2-CG2 3.46Å; H264-S287 PolarHBondContact CE1-O 2.85Å; H264-S287 VanDerWaalsContact CE1-O 3.23Å; H264-S287 PolarHBondContact NE2-O 2.96Å; H264-D288 PolarHBondContact CE1-O 3.01Å; H264-D288 PolarHBondContact NE2-O 3.48Å; H264-F289 AromaticContact CD2-CE1 3.84Å; H264-F289 AromaticContact CD2-CZ 3.97Å; H264-M291 CarbonylContact O-C 3.55Å; H264-S292 WeakPolarHBondContact CA-OG 3.47Å; H264-S292 WeakPolarHBondContact O-CA 3.29Å; H264-S292 PolarHBondContact O-N 2.93Å; H264-S292 PolarHBondContact O-OG 3.38Å; H264-D328 PolarHBondContact N-OD2 3.1Å
265R95.7Very high97.4Very high4 Ų429 Ų292%0.01514%0.144CC..SBendtrans66.58.1-179.6-51-163.8-62.5174.15.1116.5I263 M291 D302 W323 D328 M331I263-R265 HydrophobicContact CB-CG 4.33Å; I263-R265 HydrophobicContact CD1-CG 3.61Å; I263-R265 HydrophobicContact CG1-CG 3.93Å; R265-M291 HydrophobicContact CB-CB 4.14Å; R265-M291 PolarHBondContact NE-O 2.78Å; R265-M291 PolarHBondContact NH2-O 2.96Å; R265-D302 IonicContact NH1-OD2 2.64Å; R265-D302 PolarHBondContact NH1-OD2 2.89Å; R265-W323 HydrophobicContact CB-CE3 4.11Å; R265-W323 HydrophobicContact CB-CH2 3.68Å; R265-W323 HydrophobicContact CB-CZ3 3.43Å; R265-W323 VanDerWaalsContact CB-CZ3 3.43Å; R265-W323 VanDerWaalsContact CD-CE3 3.44Å; R265-W323 HydrophobicContact CG-CD2 4.22Å; R265-W323 HydrophobicContact CG-CE3 3.55Å; R265-W323 HydrophobicContact CG-CH2 3.98Å; R265-W323 HydrophobicContact CG-CZ3 3.42Å; R265-W323 VanDerWaalsContact CG-CZ3 3.42Å; R265-D328 PolarHBondContact N-OD1 3.32Å; R265-M331 VanDerWaalsContact C-SD 3.55Å; R265-M331 WeakPolarHBondContact O-CE 3.38Å
266D95.8Very high97.3Very high14 Ų1429.4 Ų29.48%0.07514%0.144CC..  trans-152.451.6175.9-160.123.8000112.7H264 A268 R270 N271 M291 P309H264-D266 PolarHBondContact ND1-N 3.44Å; H264-D266 PolarHBondContact ND1-O 2.78Å; H264-D266 PolarHBondContact O-N 3.39Å; D266-A268 PolarHBondContact O-N 2.92Å; D266-R270 VanDerWaalsContact CG-NH2 3.34Å; D266-R270 IonicContact OD1-CZ 3.9Å; D266-R270 IonicContact OD1-NH2 2.8Å; D266-R270 PolarHBondContact OD1-NH2 3.25Å; D266-R270 IonicContact OD2-NH2 3.86Å; D266-R270 PolarHBondContact OD2-NH2 2.85Å; D266-N271 VanDerWaalsContact CG-ND2 3.25Å; D266-N271 PolarHBondContact O-ND2 3.22Å; D266-N271 PolarHBondContact OD2-ND2 2.76Å; D266-M291 HydrophobicContact CB-CB 4.45Å; D266-M291 HydrophobicContact CB-SD 4Å; D266-P309 VanDerWaalsContact OD1-CB 3.24Å; D266-P309 WeakPolarHBondContact OD1-CB 3.49Å; D266-P309 WeakPolarHBondContact OD1-CG 3.37Å
267I98.4Very high97.2Very high3 Ų334.1 Ų34.12%0.01517%0.167CC..  trans-79.5118.1176.2-54.8-63.4000109L254 H264 I286 D328 M331 F332 T335L254-I267 HydrophobicContact CD2-CD1 3.95Å; L254-I267 HydrophobicContact CD2-CG1 4.14Å; H264-I267 HydrophobicContact CB-CD1 3.49Å; H264-I267 VanDerWaalsContact CB-CD1 3.49Å; H264-I267 HydrophobicContact CB-CG1 3.95Å; I267-I286 HydrophobicContact CD1-CD1 3.88Å; I267-I286 HydrophobicContact CD1-CG2 4.19Å; I267-D328 HydrophobicContact CG1-CB 4.43Å; I267-M331 HydrophobicContact CB-CB 3.77Å; I267-M331 HydrophobicContact CG1-CB 4.46Å; I267-F332 HydrophobicContact CG2-CB 4.45Å; I267-T335 PolarHBondContact O-OG1 3.27Å
268A98.3Very high97.1Very high1 Ų141.4 Ų41.41%0.00821%0.206CC..SBendtrans-160.5161.8178.700000109.7D266 R270 N271 I272 W312 T335D266-A268 PolarHBondContact O-N 2.92Å; A268-R270 HydrophobicContact CB-CG 4.03Å; A268-R270 PolarHBondContact O-N 3.16Å; A268-N271 PolarHBondContact O-N 3.16Å; A268-I272 PolarHBondContact O-N 3.07Å; A268-W312 HydrophobicContact CB-CD2 4.19Å; A268-W312 HydrophobicContact CB-CG 4.19Å; A268-W312 HydrophobicContact CB-CZ2 4.36Å; A268-T335 VanDerWaalsContact CA-OG1 3.31Å; A268-T335 WeakPolarHBondContact CA-OG1 3.32Å; A268-T335 PolarHBondContact N-OG1 2.91Å
269T98.5Very high96.8Very high0 Ų040.2 Ų40.20%022%0.222CC..G310 helixtrans-61-29.6-178.962.90000113.8F229 D230 L233 N271 I272 T335 E338 A339F229-T269 WeakPolarHBondContact CB-O 3.17Å; F229-T269 HydrophobicContact CD1-CG2 3.98Å; F229-T269 HydrophobicContact CE1-CG2 4.43Å; F229-T269 PolarHBondContact N-O 3.31Å; D230-T269 WeakPolarHBondContact CB-OG1 3.38Å; D230-T269 PolarHBondContact N-O 3.47Å; L233-T269 HydrophobicContact CD1-CG2 4.06Å; T269-N271 PolarHBondContact O-N 2.88Å; T269-I272 PolarHBondContact O-N 3.38Å; T269-T335 HydrophobicContact CG2-CG2 3.87Å; T269-E338 HydrophobicContact CG2-CB 4.1Å; T269-E338 HydrophobicContact CG2-CG 3.68Å; T269-E338 WeakPolarHBondContact CG2-OE2 3.48Å; T269-E338 PolarHBondContact N-OE2 3.26Å; T269-E338 PolarHBondContact OG1-OE1 3.04Å; T269-E338 PolarHBondContact OG1-OE2 2.8Å; T269-A339 HydrophobicContact CG2-CB 3.98Å
270R96.7Very high96.7Very high80 Ų8040.9 Ų40.930%0.30222%0.222SC..G310 helixtrans-62.8-27.4174.565.8177.3-176.9-78.4-5.4114.1D266 A268 W312D266-R270 VanDerWaalsContact CG-NH2 3.34Å; D266-R270 IonicContact OD1-CZ 3.9Å; D266-R270 IonicContact OD1-NH2 2.8Å; D266-R270 PolarHBondContact OD1-NH2 3.25Å; D266-R270 IonicContact OD2-NH2 3.86Å; D266-R270 PolarHBondContact OD2-NH2 2.85Å; A268-R270 HydrophobicContact CB-CG 4.03Å; A268-R270 PolarHBondContact O-N 3.16Å; R270-W312 VanDerWaalsContact NH1-CH2 3.26Å; R270-W312 VanDerWaalsContact NH1-CZ2 3.33Å
271N97.3Very high96.8Very high15 Ų1539.8 Ų39.88%0.0822%0.216CC..G310 helixtrans-100.18.5-178.5-69.8-12.1000112.3D266 A268 T269 S287D266-N271 VanDerWaalsContact CG-ND2 3.25Å; D266-N271 PolarHBondContact O-ND2 3.22Å; D266-N271 PolarHBondContact OD2-ND2 2.76Å; A268-N271 PolarHBondContact O-N 3.16Å; T269-N271 PolarHBondContact O-N 2.88Å; N271-S287 VanDerWaalsContact C-OG 3.3Å; N271-S287 PolarHBondContact O-N 3.2Å; N271-S287 PolarHBondContact O-OG 3.32Å
272I98.6Very high96.8Very high2 Ų240.2 Ų40.21%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-101.7116.2170.1-62.6163.4000107.3S228 F229 I246 V250 A268 T269 K285 T335S228-I272 CarbonylContact C-O 3.51Å; S228-I272 WeakPolarHBondContact CA-O 3.47Å; F229-I272 HydrophobicContact CB-CB 3.91Å; F229-I272 HydrophobicContact CB-CG2 3.97Å; F229-I272 WeakPolarHBondContact CB-O 3.49Å; F229-I272 HydrophobicContact CD1-CB 4.49Å; F229-I272 HydrophobicContact CD1-CD1 4.26Å; F229-I272 HydrophobicContact CD1-CG2 4.36Å; F229-I272 HydrophobicContact CG-CG2 4.44Å; F229-I272 PolarHBondContact N-O 3.13Å; I246-I272 HydrophobicContact CG2-CG2 3.96Å; V250-I272 HydrophobicContact CG1-CD1 4.24Å; V250-I272 HydrophobicContact CG2-CB 4.5Å; V250-I272 HydrophobicContact CG2-CD1 3.63Å; V250-I272 HydrophobicContact CG2-CG1 3.78Å; V250-I272 HydrophobicContact CG2-CG2 3.87Å; A268-I272 PolarHBondContact O-N 3.07Å; T269-I272 PolarHBondContact O-N 3.38Å; I272-K285 CarbonylContact C-O 3.54Å; I272-K285 WeakPolarHBondContact CA-O 3.22Å; I272-T335 HydrophobicContact CD1-CG2 3.61Å
273L98.6Very high96.9Very high36 Ų3643 Ų4319%0.18823%0.226CC..EExtended strand (participates in β ladder)trans-93147.1170.7-57.2-177.3000109.9V205 V224 G227 G284 K285V205-L273 HydrophobicContact CG2-CD1 4.01Å; V224-L273 HydrophobicContact CB-CB 3.69Å; V224-L273 HydrophobicContact CB-CD1 3.88Å; V224-L273 HydrophobicContact CB-CG 4.43Å; V224-L273 HydrophobicContact CG1-CB 3.69Å; V224-L273 HydrophobicContact CG2-CB 4.01Å; V224-L273 HydrophobicContact CG2-CD1 3.93Å; G227-L273 WeakPolarHBondContact O-CA 3.39Å; L273-G284 CarbonylContact O-C 3.56Å; L273-K285 PolarHBondContact N-O 3.42Å; L273-K285 PolarHBondContact O-N 3.43Å
274V98.7Very high97Very high0 Ų043 Ų430%023%0.226CC..EExtended strand (participates in β ladder)trans-120.3128.3-178.9-173.20000109.9V224 G226 G227 F229 I232 I246 L281 R283V224-V274 WeakPolarHBondContact CG1-O 3.44Å; G226-V274 CarbonylContact C-O 3.55Å; G226-V274 WeakPolarHBondContact CA-O 3.5Å; G226-V274 PolarHBondContact N-O 3.43Å; G227-V274 PolarHBondContact O-N 2.82Å; F229-V274 HydrophobicContact CB-CG2 3.98Å; F229-V274 HydrophobicContact CD2-CG2 4.05Å; F229-V274 HydrophobicContact CG-CG2 4.25Å; I232-V274 HydrophobicContact CD1-CB 3.57Å; I232-V274 HydrophobicContact CD1-CG1 4.24Å; I232-V274 HydrophobicContact CD1-CG2 3.71Å; I246-V274 HydrophobicContact CD1-CG1 4Å; I246-V274 HydrophobicContact CD1-CG2 4.04Å; I246-V274 HydrophobicContact CG1-CG1 4.39Å; I246-V274 HydrophobicContact CG2-CG2 4.26Å; V274-L281 HydrophobicContact CG1-CB 3.91Å; V274-L281 HydrophobicContact CG1-CD1 4.42Å; V274-L281 HydrophobicContact CG1-CD2 3.96Å; V274-L281 HydrophobicContact CG1-CG 4.31Å; V274-R283 CarbonylContact C-O 3.6Å; V274-R283 VanDerWaalsContact CA-O 3.32Å; V274-R283 WeakPolarHBondContact CA-O 3.26Å
275S98.2Very high97.1Very high24 Ų2444 Ų4417%0.16823%0.231CC..EExtended strand (participates in β ladder)trans-80.7145172.971.60000111.2N225 V282 R283N225-S275 WeakPolarHBondContact OD1-CA 3.42Å; S275-V282 PolarHBondContact O-N 2.74Å; S275-R283 PolarHBondContact N-O 3.25Å; S275-R283 WeakPolarHBondContact OG-CB 3.46Å; S275-R283 PolarHBondContact OG-N 2.86Å
276K96.9Very high97.2Very high53 Ų5343.9 Ų43.923%0.2323%0.231CC..EExtended strand (participates in β ladder)trans-117.8135.5177.4-77.3-179.5-177.7171.70111N225 E236 K280 L281N225-K276 PolarHBondContact ND2-O 3.2Å; N225-K276 PolarHBondContact OD1-N 3.37Å; N225-K276 PolarHBondContact OD1-O 3.24Å; E236-K276 IonicContact OE1-NZ 2.83Å; E236-K276 PolarHBondContact OE1-NZ 3.31Å; E236-K276 IonicContact OE2-NZ 3.67Å; E236-K276 PolarHBondContact OE2-NZ 2.82Å; K276-K280 CarbonylContact C-O 3.44Å; K276-K280 VanDerWaalsContact CA-O 3.26Å; K276-K280 WeakPolarHBondContact CA-O 3.49Å; K276-L281 HydrophobicContact CD-CD2 4.04Å; K276-L281 HydrophobicContact CG-CD2 3.69Å
277Q96.2Very high97.2Very high126 Ų12643.7 Ų43.759%0.58923%0.23SC*.EExtended strand (participates in β ladder)trans-134.9129170.5-167.6-18011.500109G279 K280 V282Q277-G279 PolarHBondContact O-N 3.26Å; Q277-G279 VanDerWaalsContact O-N 3.17Å; Q277-K280 PolarHBondContact N-O 2.96Å; Q277-K280 PolarHBondContact O-N 2.86Å; Q277-V282 HydrophobicContact CB-CG2 3.58Å
278N94.9Very high97Very high153 Ų15345.7 Ų45.782%0.81824%0.241SC*.THydrogen-bonded Turntrans49.741.6-178.6-58-26.6000112.9K280N278-K280 PolarHBondContact O-N 3.31Å
279G91.7Very high96.8Very high73 Ų7345.7 Ų45.775%0.75324%0.241SC*.THydrogen-bonded Turntrans75.1-2.5-178.900000115.9Q277Q277-G279 PolarHBondContact O-N 3.26Å; Q277-G279 VanDerWaalsContact O-N 3.17Å
280K95.2Very high96.5Very high157 Ų15746.5 Ų46.568%0.68325%0.249SC*.EExtended strand (participates in β ladder)trans-99.9142.3179.6-62.7-176.4-179.9-178.80111.3K276 Q277 N278 V282K276-K280 CarbonylContact C-O 3.44Å; K276-K280 VanDerWaalsContact CA-O 3.26Å; K276-K280 WeakPolarHBondContact CA-O 3.49Å; Q277-K280 PolarHBondContact N-O 2.96Å; Q277-K280 PolarHBondContact O-N 2.86Å; N278-K280 PolarHBondContact O-N 3.31Å; K280-V282 WeakPolarHBondContact O-CG2 3.49Å
281L97.2Very high96.2Very high34 Ų3443.9 Ų43.918%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-68.7125.3168.6-53.4-172.1000109I232 I238 T242 I246 V274 K276I232-L281 HydrophobicContact CD1-CD2 4.07Å; I232-L281 HydrophobicContact CG2-CD1 3.72Å; I232-L281 HydrophobicContact CG2-CD2 4.42Å; I238-L281 HydrophobicContact CD1-CD1 4.28Å; I238-L281 HydrophobicContact CG2-CD1 3.93Å; T242-L281 HydrophobicContact CG2-CB 4.05Å; T242-L281 HydrophobicContact CG2-CD1 3.79Å; T242-L281 HydrophobicContact CG2-CG 4.33Å; I246-L281 HydrophobicContact CD1-CB 4.49Å; I246-L281 HydrophobicContact CD1-CD1 3.89Å; V274-L281 HydrophobicContact CG1-CB 3.91Å; V274-L281 HydrophobicContact CG1-CD1 4.42Å; V274-L281 HydrophobicContact CG1-CD2 3.96Å; V274-L281 HydrophobicContact CG1-CG 4.31Å; K276-L281 HydrophobicContact CD-CD2 4.04Å; K276-L281 HydrophobicContact CG-CD2 3.69Å
282V96.2Very high96Very high70 Ų7043.3 Ų43.342%0.42424%0.238SC..EExtended strand (participates in β ladder)trans-111.5-48.3-172.4-1800000112.5S275 Q277 K280S275-V282 PolarHBondContact O-N 2.74Å; Q277-V282 HydrophobicContact CB-CG2 3.58Å; K280-V282 WeakPolarHBondContact O-CG2 3.49Å
283R97.9Very high95.6Very high57 Ų5746.2 Ų46.222%0.21525%0.248CC..EExtended strand (participates in β ladder)trans-146.5128.7-170.9-171.468.477.5-170.24.3111.9E202 T203 D249 V274 S275 K285E202-R283 IonicContact OE1-NH2 3.13Å; E202-R283 IonicContact OE2-CZ 3.05Å; E202-R283 VanDerWaalsContact OE2-CZ 3.27Å; E202-R283 IonicContact OE2-NE 2.79Å; E202-R283 PolarHBondContact OE2-NE 2.94Å; E202-R283 IonicContact OE2-NH2 2.73Å; E202-R283 PolarHBondContact OE2-NH2 3.07Å; T203-R283 HydrophobicContact CG2-CG 4.42Å; D249-R283 VanDerWaalsContact OD1-CD 3.22Å; D249-R283 WeakPolarHBondContact OD1-CD 3.39Å; D249-R283 IonicContact OD1-CZ 3.16Å; D249-R283 IonicContact OD1-NE 3.76Å; D249-R283 IonicContact OD1-NH1 2.77Å; D249-R283 PolarHBondContact OD1-NH1 3.17Å; D249-R283 WeakPolarHBondContact OD2-CA 3.35Å; D249-R283 VanDerWaalsContact OD2-CD 3.25Å; D249-R283 WeakPolarHBondContact OD2-CD 3.48Å; D249-R283 IonicContact OD2-NH1 3.34Å; V274-R283 CarbonylContact C-O 3.6Å; V274-R283 VanDerWaalsContact CA-O 3.32Å; V274-R283 WeakPolarHBondContact CA-O 3.26Å; S275-R283 PolarHBondContact N-O 3.25Å; S275-R283 WeakPolarHBondContact OG-CB 3.46Å; S275-R283 PolarHBondContact OG-N 2.86Å; R283-K285 HydrophobicContact CG-CG 4.35Å
284G98.7Very high95.2Very high0 Ų048.1 Ų48.10%025%0.254CS..EExtended strand (participates in β ladder)trans-79.1139.1165.400000111.7D249 L273D249-G284 WeakPolarHBondContact CB-O 3.49Å; D249-G284 PolarHBondContact OD2-N 3.06Å; L273-G284 CarbonylContact O-C 3.56Å
285K98.8Very high94.7Very high22 Ų2249.6 Ų49.610%0.09626%0.262CS..EExtended strand (participates in β ladder)trans-133.8127.7177.5-60-166.6176.4-160.70111.1E202 T203 V205 E222 V224 I272 L273 R283E202-K285 WeakPolarHBondContact O-CE 3.31Å; T203-K285 CarbonylContact O-C 3.57Å; T203-K285 VanDerWaalsContact O-CA 3.26Å; T203-K285 WeakPolarHBondContact O-CA 3.33Å; V205-K285 HydrophobicContact CG2-CB 3.92Å; E222-K285 IonicContact OE1-NZ 3.96Å; E222-K285 PolarHBondContact OE1-NZ 3.45Å; E222-K285 IonicContact OE2-NZ 3.46Å; E222-K285 PolarHBondContact OE2-NZ 3.14Å; V224-K285 HydrophobicContact CG2-CD 4Å; I272-K285 CarbonylContact C-O 3.54Å; I272-K285 WeakPolarHBondContact CA-O 3.22Å; L273-K285 PolarHBondContact N-O 3.42Å; L273-K285 PolarHBondContact O-N 3.43Å; R283-K285 HydrophobicContact CG-CG 4.35Å
286I98.5Very high93.9Very high2 Ų256.8 Ų56.81%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-67.3135.5169.6-66.8-176.8000109.3T203 V205 V250 A253 L254 H264 I267 F289T203-I286 PolarHBondContact O-N 3.11Å; V205-I286 WeakPolarHBondContact CG2-O 3.44Å; V205-I286 PolarHBondContact N-O 3.24Å; V250-I286 HydrophobicContact CG1-CD1 3.89Å; V250-I286 HydrophobicContact CG1-CG1 3.94Å; V250-I286 HydrophobicContact CG2-CG1 4.4Å; A253-I286 HydrophobicContact CB-CB 4.29Å; A253-I286 HydrophobicContact CB-CD1 3.42Å; A253-I286 VanDerWaalsContact CB-CD1 3.42Å; A253-I286 HydrophobicContact CB-CG1 3.72Å; L254-I286 HydrophobicContact CD2-CD1 3.91Å; L254-I286 HydrophobicContact CG-CD1 3.98Å; H264-I286 WeakPolarHBondContact CD2-CG2 3.22Å; H264-I286 WeakPolarHBondContact NE2-CG2 3.46Å; I267-I286 HydrophobicContact CD1-CD1 3.88Å; I267-I286 HydrophobicContact CD1-CG2 4.19Å; I286-F289 HydrophobicContact CG2-CE2 4.2Å; I286-F289 HydrophobicContact CG2-CZ 4Å
287S96.7Very high93.4Very high10 Ų1056.9 Ų56.97%0.0731%0.307CS..  trans-137.7173.4-178.873.90000111.3H264 N271H264-S287 PolarHBondContact CE1-O 2.85Å; H264-S287 VanDerWaalsContact CE1-O 3.23Å; H264-S287 PolarHBondContact NE2-O 2.96Å; N271-S287 VanDerWaalsContact C-OG 3.3Å; N271-S287 PolarHBondContact O-N 3.2Å; N271-S287 PolarHBondContact O-OG 3.32Å
288D93.9Very high93Very high45 Ų4559.1 Ų59.124%0.24132%0.317CS..  trans61.581.4-178.7-161.80.8000114.9K174 H264 G290K174-D288 IonicContact NZ-OD1 2.7Å; K174-D288 PolarHBondContact NZ-OD1 2.82Å; H264-D288 PolarHBondContact CE1-O 3.01Å; H264-D288 PolarHBondContact NE2-O 3.48Å; D288-G290 VanDerWaalsContact C-N 3.28Å; D288-G290 PolarHBondContact O-N 2.88Å; D288-G290 PolarHBondContact OD1-N 3.21Å
289F94Very high92.9Very high1 Ų155.3 Ų55.30%0.00430%0.3CS..  trans-91.315.8-178.7-74.8-102.9000112.6E191 L194 M195 L198 V204 L257 H264 I286 M291 S292E191-F289 HydrophobicContact CG-CB 3.87Å; E191-F289 PolarHBondContact OE1-N 2.77Å; L194-F289 HydrophobicContact CD2-CB 4.4Å; L194-F289 HydrophobicContact CD2-CD1 3.61Å; L194-F289 HydrophobicContact CD2-CE1 4.34Å; L194-F289 HydrophobicContact CD2-CG 4.33Å; M195-F289 HydrophobicContact CE-CD2 4.13Å; M195-F289 HydrophobicContact CG-CB 3.88Å; M195-F289 HydrophobicContact CG-CD2 4.06Å; M195-F289 HydrophobicContact CG-CG 3.93Å; M195-F289 HydrophobicContact SD-CB 4.21Å; M195-F289 HydrophobicContact SD-CD2 4.17Å; M195-F289 HydrophobicContact SD-CG 4.44Å; L198-F289 HydrophobicContact CD1-CD1 4.16Å; L198-F289 HydrophobicContact CD1-CE1 3.64Å; L198-F289 HydrophobicContact CD1-CZ 4.19Å; V204-F289 HydrophobicContact CG1-CE2 3.78Å; V204-F289 HydrophobicContact CG1-CZ 3.52Å; L257-F289 HydrophobicContact CD1-CE1 4.13Å; L257-F289 HydrophobicContact CD1-CZ 4.45Å; L257-F289 HydrophobicContact CD2-CE1 3.84Å; L257-F289 HydrophobicContact CD2-CZ 4.23Å; H264-F289 AromaticContact CD2-CE1 3.84Å; H264-F289 AromaticContact CD2-CZ 3.97Å; I286-F289 HydrophobicContact CG2-CE2 4.2Å; I286-F289 HydrophobicContact CG2-CZ 4Å; F289-M291 PolarHBondContact O-N 3.36Å; F289-S292 VanDerWaalsContact CA-OG 3.26Å; F289-S292 WeakPolarHBondContact CA-OG 3.44Å; F289-S292 WeakPolarHBondContact CD1-OG 3.34Å; F289-S292 WeakPolarHBondContact O-CB 3.46Å; F289-S292 PolarHBondContact O-N 3.23Å; F289-S292 PolarHBondContact O-OG 2.94Å
290G90.8Very high92.8Very high17 Ų1754.5 Ų54.518%0.17528%0.276CS..SBendtrans-60-33.8-176.600000113E191 D288 R293E191-G290 VanDerWaalsContact CD-N 3.28Å; E191-G290 PolarHBondContact OE1-N 3.43Å; E191-G290 WeakPolarHBondContact OE2-CA 3.22Å; D288-G290 VanDerWaalsContact C-N 3.28Å; D288-G290 PolarHBondContact O-N 2.88Å; D288-G290 PolarHBondContact OD1-N 3.21Å; G290-R293 PolarHBondContact O-NH1 2.91Å
291M91Very high92.6Very high25 Ų2554.7 Ų54.712%0.12327%0.272CS..SBendtrans-87.9-13.8173.7-61.9-168.371.500113.1H264 R265 D266 F289 R293 V305 R307H264-M291 CarbonylContact O-C 3.55Å; R265-M291 HydrophobicContact CB-CB 4.14Å; R265-M291 PolarHBondContact NE-O 2.78Å; R265-M291 PolarHBondContact NH2-O 2.96Å; D266-M291 HydrophobicContact CB-CB 4.45Å; D266-M291 HydrophobicContact CB-SD 4Å; F289-M291 PolarHBondContact O-N 3.36Å; M291-R293 PolarHBondContact O-NH1 2.77Å; M291-V305 HydrophobicContact CE-CG1 3.94Å; M291-R307 VanDerWaalsContact CE-O 3.31Å; M291-R307 WeakPolarHBondContact CE-O 3.13Å
292S93.2Very high92.2Very high2 Ų254 Ų541%0.01427%0.268CS..  trans-66.1149-171-55.20000113.9I263 H264 F289I263-S292 CarbonylContact O-C 3.59Å; I263-S292 WeakPolarHBondContact O-CA 3.48Å; I263-S292 WeakPolarHBondContact O-CB 3.46Å; H264-S292 WeakPolarHBondContact CA-OG 3.47Å; H264-S292 WeakPolarHBondContact O-CA 3.29Å; H264-S292 PolarHBondContact O-N 2.93Å; H264-S292 PolarHBondContact O-OG 3.38Å; F289-S292 VanDerWaalsContact CA-OG 3.26Å; F289-S292 WeakPolarHBondContact CA-OG 3.44Å; F289-S292 WeakPolarHBondContact CD1-OG 3.34Å; F289-S292 WeakPolarHBondContact O-CB 3.46Å; F289-S292 PolarHBondContact O-N 3.23Å; F289-S292 PolarHBondContact O-OG 2.94Å
293R91.4Very high91.5Very high63 Ų6356.5 Ų56.524%0.23828%0.278CS..EExtended strand (participates in β ladder)trans-143.6152.4179.1-63.7-64.6-179.8-89.90.9111.5V262 I263 G290 M291V262-R293 WeakPolarHBondContact CA-O 3.45Å; I263-R293 HydrophobicContact CG1-CB 4.38Å; I263-R293 PolarHBondContact N-O 3.17Å; I263-R293 PolarHBondContact O-N 2.98Å; G290-R293 PolarHBondContact O-NH1 2.91Å; M291-R293 PolarHBondContact O-NH1 2.77Å
294Y90.3Very high90.3Very high76 Ų7664.6 Ų64.630%0.29831%0.308SS..EExtended strand (participates in β ladder)trans-72.4134.5163.9-69.8-72.3000110.3L194 R197 S261 V262 I296L194-Y294 HydrophobicContact CB-CE2 4.21Å; L194-Y294 HydrophobicContact CD1-CD2 4.45Å; L194-Y294 HydrophobicContact CD1-CE2 4.27Å; L194-Y294 HydrophobicContact CG-CE2 4.01Å; L194-Y294 PolarHBondContact O-OH 3.06Å; R197-Y294 WeakPolarHBondContact CB-OH 3.36Å; R197-Y294 WeakPolarHBondContact CD-OH 3.46Å; S261-Y294 CarbonylContact O-C 3.59Å; S261-Y294 VanDerWaalsContact O-CA 3.3Å; S261-Y294 WeakPolarHBondContact O-CA 3.44Å; V262-Y294 HydrophobicContact CG2-CD1 3.7Å; V262-Y294 HydrophobicContact CG2-CE1 3.52Å; Y294-I296 PolarHBondContact O-N 3.4Å
295L86.6Confident88.7Confident32 Ų3265.8 Ų65.817%0.16832%0.316CS..  trans-73.7119.4164.4-69.5177.1000108.7S261 I263 F300 F325S261-L295 PolarHBondContact O-N 3.09Å; I263-L295 HydrophobicContact CD1-CD2 4.08Å; I263-L295 HydrophobicContact CG1-CD2 4.22Å; I263-L295 HydrophobicContact CG1-CG 4.48Å; I263-L295 HydrophobicContact CG2-CD1 3.75Å; I263-L295 HydrophobicContact CG2-CD2 3.89Å; I263-L295 HydrophobicContact CG2-CG 3.81Å; L295-F300 HydrophobicContact CD2-CD1 3.73Å; L295-F300 HydrophobicContact CD2-CE1 3.53Å; L295-F325 HydrophobicContact CD1-CB 4.45Å
296I81.9Confident87.3Confident175 Ų17568.5 Ų68.590%0.89735%0.35SS*.SBendtrans-91.9-21.7170.4-54.8167.6000109.9Y294Y294-I296 PolarHBondContact O-N 3.4Å
297A85.6Confident86.3Confident54 Ų5476.8 Ų76.845%0.44638%0.381SS..SBendtrans-140.1160.1174.900000108.7T299A297-T299 PolarHBondContact O-N 2.76Å; A297-T299 VanDerWaalsContact O-N 3.17Å
298E88.9Confident85.9Confident174 Ų17478 Ų7881%0.81339%0.387SS*.SBendtrans-56.3-32.5178.4-65.3-176.9168.400112.8N324E298-N324 WeakPolarHBondContact O-CB 3.27Å
299T91.8Very high86Confident73 Ų7376.4 Ų76.445%0.44838%0.379SS..SBendtrans-142.4138.1177.9-63.30000109.2A297 I322 W323A297-T299 PolarHBondContact O-N 2.76Å; A297-T299 VanDerWaalsContact O-N 3.17Å; T299-I322 HydrophobicContact CG2-CG2 3.43Å; T299-I322 VanDerWaalsContact CG2-CG2 3.43Å; T299-W323 WeakPolarHBondContact CA-O 3.28Å
300F91.2Very high86Confident56 Ų5679 Ų7925%0.24640%0.395CS..EExtended strand (participates in β ladder)trans-142.9161.8175.273.9-76.1000111.7I263 L295 D302 W323I263-F300 HydrophobicContact CD1-CE1 3.49Å; I263-F300 VanDerWaalsContact CD1-CE1 3.49Å; I263-F300 HydrophobicContact CD1-CZ 3.71Å; L295-F300 HydrophobicContact CD2-CD1 3.73Å; L295-F300 HydrophobicContact CD2-CE1 3.53Å; F300-D302 HydrophobicContact CD2-CB 4.12Å; F300-D302 HydrophobicContact CE2-CB 3.69Å; F300-W323 HydrophobicContact CD1-CB 3.91Å; F300-W323 WeakPolarHBondContact CD1-O 3.19Å; F300-W323 HydrophobicContact CE1-CB 3.4Å; F300-W323 VanDerWaalsContact CE1-CB 3.4Å; F300-W323 HydrophobicContact CE1-CG 4.33Å; F300-W323 HydrophobicContact CE2-CB 4.26Å; F300-W323 HydrophobicContact CE2-CG 4.48Å; F300-W323 HydrophobicContact CZ-CB 3.61Å; F300-W323 HydrophobicContact CZ-CG 4.05Å; F300-W323 PolarHBondContact N-O 3.42Å; F300-W323 PolarHBondContact O-N 3.43Å
301R91.2Very high86.3Confident161 Ų16180.8 Ų80.861%0.60840%0.396SS*.EExtended strand (participates in β ladder)trans-108.3128.2175.5-168.2179.6-172.5-169.6-2.5109.6I303 L320 K321R301-I303 HydrophobicContact CG-CG1 4.24Å; R301-L320 PolarHBondContact NE-O 3.26Å; R301-K321 WeakPolarHBondContact CA-O 3.3Å; R301-K321 HydrophobicContact CG-CB 4.36Å
302D87.9Confident86.6Confident18 Ų1881.1 Ų81.110%0.09640%0.396CS..  trans-126.898178-168.56.6000110.9R265 F300 R304 V305 K321R265-D302 IonicContact NH1-OD2 2.64Å; R265-D302 PolarHBondContact NH1-OD2 2.89Å; F300-D302 HydrophobicContact CD2-CB 4.12Å; F300-D302 HydrophobicContact CE2-CB 3.69Å; D302-R304 VanDerWaalsContact C-N 3.3Å; D302-R304 PolarHBondContact OD1-N 3.1Å; D302-R304 IonicContact OD1-NE 2.92Å; D302-V305 HydrophobicContact CB-CG2 3.86Å; D302-V305 WeakPolarHBondContact O-CG2 3.07Å; D302-V305 VanDerWaalsContact OD2-CG2 3.32Å; D302-V305 WeakPolarHBondContact OD2-CG2 3.3Å; D302-K321 PolarHBondContact N-O 3.4Å
303I81.3Confident86.8Confident123 Ų12381.1 Ų81.163%0.63140%0.396SS*.THydrogen-bonded Turntrans-81.2-15.7-179-52.2167.5000110.8R301 V305R301-I303 HydrophobicContact CG-CG1 4.24Å; I303-V305 VanDerWaalsContact C-N 3.26Å; I303-V305 PolarHBondContact O-N 2.98Å
304R73.6Confident87Confident227 Ų22778.1 Ų78.186%0.85739%0.385SS*.THydrogen-bonded Turntrans-84.12.8-176.4-63.6177.3-65-169.3-3113.4D302 G306D302-R304 VanDerWaalsContact C-N 3.3Å; D302-R304 PolarHBondContact OD1-N 3.1Å; D302-R304 IonicContact OD1-NE 2.92Å; R304-G306 PolarHBondContact O-N 3.29Å
305V64Low87.3Confident25 Ų2575.1 Ų75.115%0.15237%0.374CS..  trans-68.7108.7178.6-173.80000108.4M291 D302 I303 L308 W323M291-V305 HydrophobicContact CE-CG1 3.94Å; D302-V305 HydrophobicContact CB-CG2 3.86Å; D302-V305 WeakPolarHBondContact O-CG2 3.07Å; D302-V305 VanDerWaalsContact OD2-CG2 3.32Å; D302-V305 WeakPolarHBondContact OD2-CG2 3.3Å; I303-V305 VanDerWaalsContact C-N 3.26Å; I303-V305 PolarHBondContact O-N 2.98Å; V305-L308 HydrophobicContact CB-CD2 4.25Å; V305-L308 HydrophobicContact CG1-CD2 3.58Å; V305-L308 HydrophobicContact CG1-CG 4.35Å; V305-W323 HydrophobicContact CG1-CZ2 4.37Å; V305-W323 HydrophobicContact CG2-CZ2 4.19Å
306G69.4Low87.7Confident80 Ų8074.6 Ų74.683%0.82537%0.371SS*.  trans-58.5-62-175.800000113R304R304-G306 PolarHBondContact O-N 3.29Å
307R77.5Confident88.4Confident175 Ų17566.2 Ų66.266%0.6633%0.328SS*.  trans-123.4142.8175.7-76.1-176.5173.2176.3-1.2110.9E153 M291E153-R307 IonicContact OE1-CZ 3.67Å; E153-R307 IonicContact OE1-NH1 3.86Å; E153-R307 PolarHBondContact OE1-NH1 3.05Å; E153-R307 IonicContact OE2-CZ 3.1Å; E153-R307 IonicContact OE2-NH1 3.39Å; E153-R307 PolarHBondContact OE2-NH1 3.17Å; M291-R307 VanDerWaalsContact CE-O 3.31Å; M291-R307 WeakPolarHBondContact CE-O 3.13Å
308L89.5Confident88.8Confident35 Ų3563.8 Ų63.818%0.18331%0.308CS..  trans-108145.1176.7-66.4172.4000110.1V305 V310 T317 K321 W323V305-L308 HydrophobicContact CB-CD2 4.25Å; V305-L308 HydrophobicContact CG1-CD2 3.58Å; V305-L308 HydrophobicContact CG1-CG 4.35Å; L308-V310 HydrophobicContact CB-CG2 4.41Å; L308-V310 PolarHBondContact O-N 3.47Å; L308-T317 HydrophobicContact CD2-CG2 4.1Å; L308-K321 HydrophobicContact CD1-CD 4.12Å; L308-W323 HydrophobicContact CD2-CH2 3.84Å; L308-W323 HydrophobicContact CD2-CZ2 3.43Å; L308-W323 VanDerWaalsContact CD2-CZ2 3.43Å
309P94.3Very high89.1Confident12 Ų1260.1 Ų60.18%0.07829%0.294CS..  trans-72.377.1165.132-34.3000109D266 R311 W312 S313 M331D266-P309 VanDerWaalsContact OD1-CB 3.24Å; D266-P309 WeakPolarHBondContact OD1-CB 3.49Å; D266-P309 WeakPolarHBondContact OD1-CG 3.37Å; P309-R311 VanDerWaalsContact C-N 3.28Å; P309-R311 PolarHBondContact O-N 3.43Å; P309-R311 VanDerWaalsContact O-N 3.12Å; P309-W312 HydrophobicContact CB-CB 4.43Å; P309-W312 HydrophobicContact CB-CE3 4.04Å; P309-W312 PolarHBondContact O-N 2.86Å; P309-S313 PolarHBondContact O-N 3.31Å; P309-S313 PolarHBondContact O-OG 3.46Å; P309-M331 HydrophobicContact CG-CE 4.18Å
310V95.2Very high89.2Confident55 Ų5560.3 Ų60.333%0.33329%0.292SS..THydrogen-bonded Turntrans-50-44.7-165.9171.50000112.8L308 W312 S313 L318 L355 L358L308-V310 HydrophobicContact CB-CG2 4.41Å; L308-V310 PolarHBondContact O-N 3.47Å; V310-W312 VanDerWaalsContact C-N 3.29Å; V310-W312 PolarHBondContact O-N 3.1Å; V310-S313 PolarHBondContact O-N 3.16Å; V310-L318 HydrophobicContact CB-CD2 4.49Å; V310-L318 HydrophobicContact CG1-CD2 4.19Å; V310-L355 HydrophobicContact CG1-CD1 4.36Å; V310-L358 HydrophobicContact CG1-CD2 3.81Å
311R96.1Very high89.3Confident55 Ų5560.1 Ų60.121%0.20829%0.291CS..THydrogen-bonded Turntrans-70.3-21.8-177.9-63.4173-167.8-88-9.6114.4P309 P346 F347 E351P309-R311 VanDerWaalsContact C-N 3.28Å; P309-R311 PolarHBondContact O-N 3.43Å; P309-R311 VanDerWaalsContact O-N 3.12Å; R311-P346 HydrophobicContact CB-CB 4.27Å; R311-P346 WeakPolarHBondContact CD-O 3.26Å; R311-P346 PolarHBondContact NH1-O 3.23Å; R311-F347 HydrophobicContact CB-CD2 4.45Å; R311-F347 VanDerWaalsContact O-CE2 3.3Å; R311-F347 WeakPolarHBondContact O-CE2 3.37Å; R311-E351 IonicContact CZ-OE1 3.27Å; R311-E351 IonicContact NH1-OE1 3.81Å; R311-E351 PolarHBondContact NH1-OE1 2.87Å; R311-E351 IonicContact NH2-OE1 2.74Å; R311-E351 PolarHBondContact NH2-OE1 3.01Å
312W97.6Very high89.5Confident33 Ų3354.5 Ų54.513%0.12527%0.272CS..THydrogen-bonded Turntrans-101.1-20.8179.4-64.6-99.5000111.9A268 R270 P309 V310 W330 M331 I334 E338 P346A268-W312 HydrophobicContact CB-CD2 4.19Å; A268-W312 HydrophobicContact CB-CG 4.19Å; A268-W312 HydrophobicContact CB-CZ2 4.36Å; R270-W312 VanDerWaalsContact NH1-CH2 3.26Å; R270-W312 VanDerWaalsContact NH1-CZ2 3.33Å; P309-W312 HydrophobicContact CB-CB 4.43Å; P309-W312 HydrophobicContact CB-CE3 4.04Å; P309-W312 PolarHBondContact O-N 2.86Å; V310-W312 VanDerWaalsContact C-N 3.29Å; V310-W312 PolarHBondContact O-N 3.1Å; W312-W330 PolarHBondContact O-NE1 3.36Å; W312-M331 HydrophobicContact CB-CG 4.31Å; W312-M331 WeakPolarHBondContact O-CA 3.48Å; W312-M331 WeakPolarHBondContact O-CG 3.41Å; W312-I334 HydrophobicContact CG-CG2 4.06Å; W312-E338 PolarHBondContact NE1-OE2 2.87Å; W312-P346 HydrophobicContact CZ2-CG 4.16Å
313S96.9Very high89.8Confident1 Ų153.6 Ų53.61%0.00727%0.268CS..SBendtrans-68.1144.1-172.5-62.60000112.5P309 V310 W330P309-S313 PolarHBondContact O-N 3.31Å; P309-S313 PolarHBondContact O-OG 3.46Å; V310-S313 PolarHBondContact O-N 3.16Å; S313-W330 PolarHBondContact O-NE1 2.83Å
314A96.8Very high90.5Very high0 Ų048.3 Ų48.30%024%0.24CC..  trans-68151.1177.100000111.8E316 T317 L318 T327 W330A314-E316 VanDerWaalsContact C-N 3.29Å; A314-E316 VanDerWaalsContact CB-CD 3.49Å; A314-E316 HydrophobicContact CB-CG 4.46Å; A314-E316 WeakPolarHBondContact CB-OE1 3.47Å; A314-E316 WeakPolarHBondContact CB-OE2 3.35Å; A314-E316 PolarHBondContact O-N 3.11Å; A314-T317 WeakPolarHBondContact O-CA 3.4Å; A314-T317 VanDerWaalsContact O-CB 3.31Å; A314-T317 WeakPolarHBondContact O-CB 3.36Å; A314-T317 PolarHBondContact O-N 2.75Å; A314-L318 WeakPolarHBondContact O-CG 3.29Å; A314-L318 PolarHBondContact O-N 3.15Å; A314-T327 HydrophobicContact CB-CG2 3.97Å; A314-W330 VanDerWaalsContact CA-CD1 3.45Å; A314-W330 HydrophobicContact CB-CB 3.82Å; A314-W330 HydrophobicContact CB-CD2 4.22Å; A314-W330 HydrophobicContact CB-CG 3.71Å
315P96.2Very high91.6Very high13 Ų1337.7 Ų37.78%0.08420%0.201CC..Hα-helixtrans-53.6-42.9-179.9-21.927.7000113.2T317 L318 D319 W330 L362 I388P315-T317 VanDerWaalsContact C-N 3.27Å; P315-T317 PolarHBondContact O-N 3.45Å; P315-L318 PolarHBondContact O-N 3.37Å; P315-D319 WeakPolarHBondContact O-CB 3.35Å; P315-D319 PolarHBondContact O-N 3.17Å; P315-W330 HydrophobicContact CG-CE3 4.31Å; P315-W330 HydrophobicContact CG-CH2 3.53Å; P315-W330 HydrophobicContact CG-CZ2 3.88Å; P315-W330 HydrophobicContact CG-CZ3 3.76Å; P315-L362 HydrophobicContact CG-CD1 4.28Å; P315-I388 HydrophobicContact CB-CD1 3.79Å; P315-I388 HydrophobicContact CB-CG1 4.41Å; P315-I388 HydrophobicContact CG-CD1 3.35Å; P315-I388 HydrophobicContact CG-CG1 4.17Å
316E95.6Very high93.2Very high21 Ų2139 Ų3910%0.09821%0.205CC..Hα-helixtrans-66.4-27.4177.968-83.7-160.900113.2A314 L320 K321 I322 T327 P390 R393A314-E316 VanDerWaalsContact C-N 3.29Å; A314-E316 VanDerWaalsContact CB-CD 3.49Å; A314-E316 HydrophobicContact CB-CG 4.46Å; A314-E316 WeakPolarHBondContact CB-OE1 3.47Å; A314-E316 WeakPolarHBondContact CB-OE2 3.35Å; A314-E316 PolarHBondContact O-N 3.11Å; E316-L320 CarbonylContact O-C 3.4Å; E316-L320 WeakPolarHBondContact O-CA 3.29Å; E316-L320 WeakPolarHBondContact O-CB 3.32Å; E316-L320 PolarHBondContact O-N 2.66Å; E316-K321 PolarHBondContact O-N 2.88Å; E316-I322 HydrophobicContact CB-CB 4.3Å; E316-I322 HydrophobicContact CG-CB 4.34Å; E316-I322 HydrophobicContact CG-CG2 4.32Å; E316-I322 PolarHBondContact O-N 2.82Å; E316-I322 VanDerWaalsContact O-N 3.11Å; E316-T327 HydrophobicContact CG-CG2 4.1Å; E316-T327 WeakPolarHBondContact OE1-CG2 3.32Å; E316-P390 HydrophobicContact CG-CG 4.32Å; E316-P390 WeakPolarHBondContact OE1-CG 3.4Å; E316-R393 VanDerWaalsContact CD-NH2 3.32Å; E316-R393 IonicContact OE1-CZ 3.06Å; E316-R393 IonicContact OE1-NH1 2.69Å; E316-R393 PolarHBondContact OE1-NH1 2.9Å; E316-R393 IonicContact OE1-NH2 2.61Å; E316-R393 PolarHBondContact OE1-NH2 3.3Å; E316-R393 IonicContact OE2-CZ 2.68Å; E316-R393 IonicContact OE2-NH1 3.73Å; E316-R393 IonicContact OE2-NH2 3.64Å; E316-R393 PolarHBondContact OE2-NH2 2.84Å
317T95.8Very high94.6Very high0 Ų035.2 Ų35.20%017%0.166CC..Hα-helixtrans-76.6-42.2172.6-56.10000110.8L308 A314 P315 K321 I322 W323 T327L308-T317 HydrophobicContact CD2-CG2 4.1Å; A314-T317 WeakPolarHBondContact O-CA 3.4Å; A314-T317 VanDerWaalsContact O-CB 3.31Å; A314-T317 WeakPolarHBondContact O-CB 3.36Å; A314-T317 PolarHBondContact O-N 2.75Å; P315-T317 VanDerWaalsContact C-N 3.27Å; P315-T317 PolarHBondContact O-N 3.45Å; T317-K321 VanDerWaalsContact O-CA 3.29Å; T317-K321 WeakPolarHBondContact O-CA 3.27Å; T317-K321 WeakPolarHBondContact O-CD 3.1Å; T317-K321 PolarHBondContact O-N 3.31Å; T317-I322 WeakPolarHBondContact CA-O 3.33Å; T317-I322 WeakPolarHBondContact CB-O 3.32Å; T317-I322 PolarHBondContact OG1-O 3.44Å; T317-W323 HydrophobicContact CG2-CD2 3.97Å; T317-W323 HydrophobicContact CG2-CE3 4.04Å; T317-W323 HydrophobicContact CG2-CH2 3.48Å; T317-W323 VanDerWaalsContact CG2-CH2 3.48Å; T317-W323 HydrophobicContact CG2-CZ2 3.38Å; T317-W323 HydrophobicContact CG2-CZ3 3.8Å; T317-T327 VanDerWaalsContact OG1-CG2 3.22Å; T317-T327 WeakPolarHBondContact OG1-CG2 3.33Å
318L94.8Very high95.6Very high3 Ų326.9 Ų26.92%0.01613%0.134CC..Hα-helixtrans-63.6-50179-71.8-179.5000111.4V310 A314 P315 K321 L355 L358 L359 L362V310-L318 HydrophobicContact CB-CD2 4.49Å; V310-L318 HydrophobicContact CG1-CD2 4.19Å; A314-L318 WeakPolarHBondContact O-CG 3.29Å; A314-L318 PolarHBondContact O-N 3.15Å; P315-L318 PolarHBondContact O-N 3.37Å; L318-K321 PolarHBondContact O-NZ 3.28Å; L318-L355 HydrophobicContact CB-CD1 3.98Å; L318-L355 HydrophobicContact CD1-CD1 4.29Å; L318-L355 HydrophobicContact CD2-CD1 3.75Å; L318-L355 HydrophobicContact CG-CD1 4.22Å; L318-L358 HydrophobicContact CD1-CD2 3.96Å; L318-L359 HydrophobicContact CB-CD2 3.77Å; L318-L359 HydrophobicContact CB-CG 4.39Å; L318-L359 HydrophobicContact CD1-CD2 4.26Å; L318-L362 HydrophobicContact CD1-CD1 4.42Å
319D93.7Very high96Very high96 Ų9625.4 Ų25.451%0.51313%0.127SC..Hα-helixtrans-78.9-58.3-176.2-175.625.7000112.2P315 L359P315-D319 WeakPolarHBondContact O-CB 3.35Å; P315-D319 PolarHBondContact O-N 3.17Å; D319-L359 HydrophobicContact CB-CD1 4.37Å; D319-L359 HydrophobicContact CB-CD2 4.31Å
320L93.7Very high96.2Very high78 Ų7824.9 Ų24.941%0.40812%0.123SC..Hα-helixtrans-102.9-4.4-167.3-59178.1000114.3R301 E316 I322R301-L320 PolarHBondContact NE-O 3.26Å; E316-L320 CarbonylContact O-C 3.4Å; E316-L320 WeakPolarHBondContact O-CA 3.29Å; E316-L320 WeakPolarHBondContact O-CB 3.32Å; E316-L320 PolarHBondContact O-N 2.66Å; L320-I322 HydrophobicContact CB-CD1 3.63Å; L320-I322 HydrophobicContact CB-CG1 3.71Å; L320-I322 HydrophobicContact CD1-CD1 3.73Å; L320-I322 HydrophobicContact CG-CD1 4.35Å; L320-I322 PolarHBondContact O-N 3.31Å
321K93.9Very high96.4Very high52 Ų5222.3 Ų22.323%0.22611%0.107CC..  trans58.933.3-171.9-50.5-64.4170.1-132.20112.5R301 D302 L308 E316 T317 L318R301-K321 WeakPolarHBondContact CA-O 3.3Å; R301-K321 HydrophobicContact CG-CB 4.36Å; D302-K321 PolarHBondContact N-O 3.4Å; L308-K321 HydrophobicContact CD1-CD 4.12Å; E316-K321 PolarHBondContact O-N 2.88Å; T317-K321 VanDerWaalsContact O-CA 3.29Å; T317-K321 WeakPolarHBondContact O-CA 3.27Å; T317-K321 WeakPolarHBondContact O-CD 3.1Å; T317-K321 PolarHBondContact O-N 3.31Å; L318-K321 PolarHBondContact O-NZ 3.28Å
322I95.4Very high96.5Very high42 Ų4219.7 Ų19.722%0.21510%0.098CC..EExtended strand (participates in β ladder)trans-85.7138.7177.3-67.7175000109.7T299 E316 T317 L320T299-I322 HydrophobicContact CG2-CG2 3.43Å; T299-I322 VanDerWaalsContact CG2-CG2 3.43Å; E316-I322 HydrophobicContact CB-CB 4.3Å; E316-I322 HydrophobicContact CG-CB 4.34Å; E316-I322 HydrophobicContact CG-CG2 4.32Å; E316-I322 PolarHBondContact O-N 2.82Å; E316-I322 VanDerWaalsContact O-N 3.11Å; T317-I322 WeakPolarHBondContact CA-O 3.33Å; T317-I322 WeakPolarHBondContact CB-O 3.32Å; T317-I322 PolarHBondContact OG1-O 3.44Å; L320-I322 HydrophobicContact CB-CD1 3.63Å; L320-I322 HydrophobicContact CB-CG1 3.71Å; L320-I322 HydrophobicContact CD1-CD1 3.73Å; L320-I322 HydrophobicContact CG-CD1 4.35Å; L320-I322 PolarHBondContact O-N 3.31Å
323W94.8Very high96.6Very high0 Ų018.1 Ų18.10%09%0.092CC..EExtended strand (participates in β ladder)trans-131.3135.2178.6-63.597.5000110.2I263 R265 T299 F300 V305 L308 T317 M331I263-W323 HydrophobicContact CD1-CB 3.9Å; I263-W323 HydrophobicContact CD1-CE3 4.44Å; I263-W323 HydrophobicContact CD1-CG 4.49Å; R265-W323 HydrophobicContact CB-CE3 4.11Å; R265-W323 HydrophobicContact CB-CH2 3.68Å; R265-W323 HydrophobicContact CB-CZ3 3.43Å; R265-W323 VanDerWaalsContact CB-CZ3 3.43Å; R265-W323 VanDerWaalsContact CD-CE3 3.44Å; R265-W323 HydrophobicContact CG-CD2 4.22Å; R265-W323 HydrophobicContact CG-CE3 3.55Å; R265-W323 HydrophobicContact CG-CH2 3.98Å; R265-W323 HydrophobicContact CG-CZ3 3.42Å; R265-W323 VanDerWaalsContact CG-CZ3 3.42Å; T299-W323 WeakPolarHBondContact CA-O 3.28Å; F300-W323 HydrophobicContact CD1-CB 3.91Å; F300-W323 WeakPolarHBondContact CD1-O 3.19Å; F300-W323 HydrophobicContact CE1-CB 3.4Å; F300-W323 VanDerWaalsContact CE1-CB 3.4Å; F300-W323 HydrophobicContact CE1-CG 4.33Å; F300-W323 HydrophobicContact CE2-CB 4.26Å; F300-W323 HydrophobicContact CE2-CG 4.48Å; F300-W323 HydrophobicContact CZ-CB 3.61Å; F300-W323 HydrophobicContact CZ-CG 4.05Å; F300-W323 PolarHBondContact N-O 3.42Å; F300-W323 PolarHBondContact O-N 3.43Å; V305-W323 HydrophobicContact CG1-CZ2 4.37Å; V305-W323 HydrophobicContact CG2-CZ2 4.19Å; L308-W323 HydrophobicContact CD2-CH2 3.84Å; L308-W323 HydrophobicContact CD2-CZ2 3.43Å; L308-W323 VanDerWaalsContact CD2-CZ2 3.43Å; T317-W323 HydrophobicContact CG2-CD2 3.97Å; T317-W323 HydrophobicContact CG2-CE3 4.04Å; T317-W323 HydrophobicContact CG2-CH2 3.48Å; T317-W323 VanDerWaalsContact CG2-CH2 3.48Å; T317-W323 HydrophobicContact CG2-CZ2 3.38Å; T317-W323 HydrophobicContact CG2-CZ3 3.8Å; W323-M331 HydrophobicContact CH2-CE 4.11Å; W323-M331 HydrophobicContact CZ3-CE 3.71Å
324N95.6Very high96.6Very high11 Ų1118 Ų186%0.0599%0.091CC..  trans-154.1-17617257.331.9000108.1E298 E326 T327E298-N324 WeakPolarHBondContact O-CB 3.27Å; N324-E326 VanDerWaalsContact C-N 3.26Å; N324-E326 PolarHBondContact O-N 3.49Å; N324-E326 WeakPolarHBondContact OD1-CA 3.46Å; N324-E326 WeakPolarHBondContact OD1-CB 3.38Å; N324-E326 PolarHBondContact OD1-N 3.22Å; N324-E326 PolarHBondContact OD1-OE2 3.32Å; N324-T327 PolarHBondContact O-N 3.23Å; N324-T327 PolarHBondContact O-OG1 2.94Å; N324-T327 PolarHBondContact OD1-N 3.23Å
325F97.3Very high96.7Very high5 Ų518 Ų182%0.0229%0.091CC..Hα-helixtrans-68.6-30.3178.5-174.1-91.8000112.2L254 K258 L295 T327 D328 V329 I396L254-F325 HydrophobicContact CB-CZ 4.04Å; L254-F325 VanDerWaalsContact O-CE2 3.27Å; L254-F325 WeakPolarHBondContact O-CE2 3.44Å; L254-F325 WeakPolarHBondContact O-CZ 3.25Å; K258-F325 HydrophobicContact CB-CD1 4.32Å; K258-F325 HydrophobicContact CB-CD2 3.71Å; K258-F325 HydrophobicContact CB-CE1 4.05Å; K258-F325 HydrophobicContact CB-CE2 3.4Å; K258-F325 VanDerWaalsContact CB-CE2 3.4Å; K258-F325 HydrophobicContact CB-CG 4.16Å; K258-F325 HydrophobicContact CB-CZ 3.58Å; K258-F325 HydrophobicContact CD-CD1 3.53Å; K258-F325 HydrophobicContact CD-CD2 4.33Å; K258-F325 HydrophobicContact CD-CE1 3.68Å; K258-F325 HydrophobicContact CD-CE2 4.46Å; K258-F325 HydrophobicContact CD-CG 3.87Å; K258-F325 HydrophobicContact CD-CZ 4.15Å; K258-F325 HydrophobicContact CG-CB 4.49Å; K258-F325 HydrophobicContact CG-CD1 3.94Å; K258-F325 HydrophobicContact CG-CD2 3.78Å; K258-F325 HydrophobicContact CG-CE1 4.11Å; K258-F325 HydrophobicContact CG-CE2 3.98Å; K258-F325 HydrophobicContact CG-CG 3.76Å; K258-F325 HydrophobicContact CG-CZ 4.13Å; L295-F325 HydrophobicContact CD1-CB 4.45Å; F325-T327 PolarHBondContact O-N 2.74Å; F325-D328 PolarHBondContact O-N 3.41Å; F325-D328 VanDerWaalsContact O-N 3.09Å; F325-V329 HydrophobicContact CD1-CG2 3.93Å; F325-V329 HydrophobicContact CE1-CG2 3.65Å; F325-V329 PolarHBondContact O-N 3.36Å; F325-I396 HydrophobicContact CE1-CB 4.23Å; F325-I396 HydrophobicContact CE1-CG2 3.66Å; F325-I396 HydrophobicContact CZ-CG2 4.06Å
326E98Very high96.9Very high52 Ų5217.4 Ų17.424%0.2439%0.087CC..Hα-helixtrans-68-20.1-179.4-64.962.7-14200112.3K258 N324 V329 W330 P390 R393K258-E326 IonicContact NZ-OE1 2.83Å; K258-E326 PolarHBondContact NZ-OE1 3.46Å; K258-E326 VanDerWaalsContact NZ-OE1 3.16Å; N324-E326 VanDerWaalsContact C-N 3.26Å; N324-E326 PolarHBondContact O-N 3.49Å; N324-E326 WeakPolarHBondContact OD1-CA 3.46Å; N324-E326 WeakPolarHBondContact OD1-CB 3.38Å; N324-E326 PolarHBondContact OD1-N 3.22Å; N324-E326 PolarHBondContact OD1-OE2 3.32Å; E326-V329 WeakPolarHBondContact O-CB 3.22Å; E326-V329 PolarHBondContact O-N 3.33Å; E326-W330 PolarHBondContact O-N 2.83Å; E326-P390 HydrophobicContact CB-CB 3.91Å; E326-P390 HydrophobicContact CG-CB 4.49Å; E326-R393 VanDerWaalsContact C-NH1 3.3Å; E326-R393 PolarHBondContact O-NH1 3.01Å
327T97.9Very high97Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-66.8-37.2169.961.40000112.1A314 E316 T317 N324 F325 V329 W330 M331A314-T327 HydrophobicContact CB-CG2 3.97Å; E316-T327 HydrophobicContact CG-CG2 4.1Å; E316-T327 WeakPolarHBondContact OE1-CG2 3.32Å; T317-T327 VanDerWaalsContact OG1-CG2 3.22Å; T317-T327 WeakPolarHBondContact OG1-CG2 3.33Å; N324-T327 PolarHBondContact O-N 3.23Å; N324-T327 PolarHBondContact O-OG1 2.94Å; N324-T327 PolarHBondContact OD1-N 3.23Å; F325-T327 PolarHBondContact O-N 2.74Å; T327-V329 VanDerWaalsContact C-N 3.32Å; T327-W330 PolarHBondContact O-N 3.17Å; T327-M331 WeakPolarHBondContact O-CG 3.38Å; T327-M331 PolarHBondContact O-N 3.29Å
328D98.4Very high97.1Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-70.1-32.4173.8-76.6-12.7000111.1L254 I263 H264 R265 I267 F325 M331 F332L254-D328 HydrophobicContact CD2-CB 4.19Å; I263-D328 VanDerWaalsContact CA-OD2 3.28Å; I263-D328 WeakPolarHBondContact CA-OD2 3.27Å; H264-D328 PolarHBondContact N-OD2 3.1Å; R265-D328 PolarHBondContact N-OD1 3.32Å; I267-D328 HydrophobicContact CG1-CB 4.43Å; F325-D328 PolarHBondContact O-N 3.41Å; F325-D328 VanDerWaalsContact O-N 3.09Å; D328-M331 PolarHBondContact O-N 3.34Å; D328-F332 WeakPolarHBondContact O-CB 3.39Å; D328-F332 PolarHBondContact O-N 3.26Å
329V98.6Very high97.3Very high4 Ų416.8 Ų16.82%0.0248%0.084CC..Hα-helixtrans-63.9-41.8174.2178.40000110.8F325 E326 T327 F332 G333 I385 R393 I396F325-V329 HydrophobicContact CD1-CG2 3.93Å; F325-V329 HydrophobicContact CE1-CG2 3.65Å; F325-V329 PolarHBondContact O-N 3.36Å; E326-V329 WeakPolarHBondContact O-CB 3.22Å; E326-V329 PolarHBondContact O-N 3.33Å; T327-V329 VanDerWaalsContact C-N 3.32Å; V329-F332 WeakPolarHBondContact O-CB 3.42Å; V329-F332 PolarHBondContact O-N 2.8Å; V329-G333 PolarHBondContact O-N 3.33Å; V329-I385 HydrophobicContact CG1-CG2 4.03Å; V329-I385 WeakPolarHBondContact O-CG2 3.46Å; V329-R393 HydrophobicContact CG1-CB 4.46Å; V329-I396 HydrophobicContact CG2-CB 4.21Å
330W98.6Very high97.5Very high2 Ų212.9 Ų12.91%0.0086%0.063CC..Hα-helixtrans-60.7-49.2171.4173.5-76.2000111.9W312 S313 A314 P315 E326 T327 F332 G333 I334 L362 L386W312-W330 PolarHBondContact O-NE1 3.36Å; S313-W330 PolarHBondContact O-NE1 2.83Å; A314-W330 VanDerWaalsContact CA-CD1 3.45Å; A314-W330 HydrophobicContact CB-CB 3.82Å; A314-W330 HydrophobicContact CB-CD2 4.22Å; A314-W330 HydrophobicContact CB-CG 3.71Å; P315-W330 HydrophobicContact CG-CE3 4.31Å; P315-W330 HydrophobicContact CG-CH2 3.53Å; P315-W330 HydrophobicContact CG-CZ2 3.88Å; P315-W330 HydrophobicContact CG-CZ3 3.76Å; E326-W330 PolarHBondContact O-N 2.83Å; T327-W330 PolarHBondContact O-N 3.17Å; W330-F332 PolarHBondContact O-N 3.05Å; W330-G333 WeakPolarHBondContact O-CA 3.48Å; W330-G333 PolarHBondContact O-N 3.47Å; W330-I334 PolarHBondContact O-N 3.45Å; W330-L362 HydrophobicContact CH2-CD1 4.42Å; W330-L362 HydrophobicContact CH2-CD2 4.03Å; W330-L362 HydrophobicContact CZ2-CD1 3.99Å; W330-L362 HydrophobicContact CZ2-CD2 3.9Å; W330-L386 HydrophobicContact CD2-CD2 3.98Å; W330-L386 HydrophobicContact CE3-CD2 4.24Å; W330-L386 HydrophobicContact CG-CD2 4.36Å; W330-L386 HydrophobicContact CZ2-CD2 4.44Å; W330-L386 HydrophobicContact CZ3-CB 4.44Å; W330-L386 WeakPolarHBondContact CZ3-O 3.24Å
331M98.7Very high97.7Very high0 Ų09.7 Ų9.70%05%0.046CC..Hα-helixtrans-57.9-37.2177.7-69.2175176.600111.3R265 I267 P309 W312 W323 T327 D328 I334 T335R265-M331 VanDerWaalsContact C-SD 3.55Å; R265-M331 WeakPolarHBondContact O-CE 3.38Å; I267-M331 HydrophobicContact CB-CB 3.77Å; I267-M331 HydrophobicContact CG1-CB 4.46Å; P309-M331 HydrophobicContact CG-CE 4.18Å; W312-M331 HydrophobicContact CB-CG 4.31Å; W312-M331 WeakPolarHBondContact O-CA 3.48Å; W312-M331 WeakPolarHBondContact O-CG 3.41Å; W323-M331 HydrophobicContact CH2-CE 4.11Å; W323-M331 HydrophobicContact CZ3-CE 3.71Å; T327-M331 WeakPolarHBondContact O-CG 3.38Å; T327-M331 PolarHBondContact O-N 3.29Å; D328-M331 PolarHBondContact O-N 3.34Å; M331-I334 PolarHBondContact O-N 3.48Å; M331-T335 WeakPolarHBondContact O-CB 3.16Å; M331-T335 PolarHBondContact O-N 2.79Å; M331-T335 PolarHBondContact O-OG1 3.31Å
332F98.8Very high97.8Very high0 Ų08.8 Ų8.80%05%0.051CC..Hα-helixtrans-62.8-41.6172.9-177.1-105.8000112.2L247 V250 A251 L254 I267 D328 V329 W330 I334 T335 M336 I385 I396 V399 L403L247-F332 HydrophobicContact CB-CE2 4.5Å; L247-F332 HydrophobicContact CB-CZ 4.16Å; L247-F332 HydrophobicContact CD2-CE2 4.09Å; L247-F332 HydrophobicContact CD2-CZ 4.36Å; L247-F332 WeakPolarHBondContact O-CZ 3.41Å; V250-F332 HydrophobicContact CB-CD2 4.42Å; V250-F332 HydrophobicContact CB-CE2 3.82Å; V250-F332 HydrophobicContact CG1-CD2 3.6Å; V250-F332 HydrophobicContact CG1-CE2 3.5Å; V250-F332 VanDerWaalsContact CG1-CE2 3.5Å; A251-F332 HydrophobicContact CB-CE1 4.42Å; A251-F332 HydrophobicContact CB-CZ 4.08Å; L254-F332 HydrophobicContact CD1-CB 3.71Å; L254-F332 HydrophobicContact CD1-CD2 3.85Å; L254-F332 HydrophobicContact CD1-CG 3.8Å; I267-F332 HydrophobicContact CG2-CB 4.45Å; D328-F332 WeakPolarHBondContact O-CB 3.39Å; D328-F332 PolarHBondContact O-N 3.26Å; V329-F332 WeakPolarHBondContact O-CB 3.42Å; V329-F332 PolarHBondContact O-N 2.8Å; W330-F332 PolarHBondContact O-N 3.05Å; F332-I334 PolarHBondContact O-N 2.98Å; F332-T335 CarbonylContact O-C 3.56Å; F332-T335 WeakPolarHBondContact O-CA 3.36Å; F332-T335 WeakPolarHBondContact O-CB 3.43Å; F332-T335 PolarHBondContact O-N 3.03Å; F332-T335 VanDerWaalsContact O-N 3.11Å; F332-M336 HydrophobicContact CD1-CG 4.1Å; F332-M336 HydrophobicContact CD1-SD 3.99Å; F332-M336 HydrophobicContact CE1-CG 3.65Å; F332-M336 HydrophobicContact CE1-SD 3.4Å; F332-M336 WeakPolarHBondContact CE1-SD 3.45Å; F332-M336 HydrophobicContact CE2-CG 4.38Å; F332-M336 HydrophobicContact CZ-CG 3.84Å; F332-M336 HydrophobicContact CZ-SD 4.05Å; F332-M336 WeakPolarHBondContact O-CG 3.36Å; F332-M336 PolarHBondContact O-N 2.73Å; F332-I385 HydrophobicContact CD1-CD1 4.41Å; F332-I396 HydrophobicContact CD1-CD1 3.94Å; F332-I396 HydrophobicContact CE1-CD1 4.28Å; F332-I396 HydrophobicContact CG-CD1 4.38Å; F332-V399 HydrophobicContact CD1-CG1 4.13Å; F332-V399 HydrophobicContact CE1-CG1 3.5Å; F332-V399 VanDerWaalsContact CE1-CG1 3.5Å; F332-V399 HydrophobicContact CZ-CG1 4.47Å; F332-L403 HydrophobicContact CE1-CD1 4.2Å; F332-L403 HydrophobicContact CZ-CD1 3.93Å
333G98.5Very high97.9Very high0 Ų07.2 Ų7.20%05%0.045CC..Hα-helixtrans-59.2-44.2173.800000113.2V329 W330 T335 M336 W337 I385V329-G333 PolarHBondContact O-N 3.33Å; W330-G333 WeakPolarHBondContact O-CA 3.48Å; W330-G333 PolarHBondContact O-N 3.47Å; G333-T335 VanDerWaalsContact C-N 3.29Å; G333-T335 PolarHBondContact O-N 3.32Å; G333-M336 PolarHBondContact O-N 2.93Å; G333-W337 PolarHBondContact O-N 3.44Å; G333-W337 VanDerWaalsContact O-N 3.09Å; G333-I385 VanDerWaalsContact CA-CG2 3.48Å
334I98.6Very high98Very high0 Ų09.9 Ų9.90%06%0.061CC..Hα-helixtrans-63.7-38.6173.7-58.3-61.4000110.7W312 W330 M331 F332 W337 E338 P346 F347 P368 L386W312-I334 HydrophobicContact CG-CG2 4.06Å; W330-I334 PolarHBondContact O-N 3.45Å; M331-I334 PolarHBondContact O-N 3.48Å; F332-I334 PolarHBondContact O-N 2.98Å; I334-W337 PolarHBondContact O-N 2.67Å; I334-E338 VanDerWaalsContact O-CB 3.32Å; I334-E338 WeakPolarHBondContact O-CB 3.34Å; I334-E338 PolarHBondContact O-N 3.2Å; I334-P346 HydrophobicContact CG2-CB 3.82Å; I334-P346 HydrophobicContact CG2-CG 3.58Å; I334-F347 HydrophobicContact CD1-CE2 4.02Å; I334-F347 HydrophobicContact CD1-CZ 3.92Å; I334-P368 HydrophobicContact CD1-CG 3.85Å; I334-L386 HydrophobicContact CD1-CD1 4.04Å; I334-L386 HydrophobicContact CD1-CD2 3.62Å; I334-L386 HydrophobicContact CG1-CD2 3.91Å
335T98.7Very high98Very high0 Ų014 Ų140%08%0.082CC..Hα-helixtrans-66.4-36.8177-580000112.3L247 I267 A268 T269 I272 M331 F332 G333 E338 A339L247-T335 HydrophobicContact CD2-CG2 4.48Å; I267-T335 PolarHBondContact O-OG1 3.27Å; A268-T335 VanDerWaalsContact CA-OG1 3.31Å; A268-T335 WeakPolarHBondContact CA-OG1 3.32Å; A268-T335 PolarHBondContact N-OG1 2.91Å; T269-T335 HydrophobicContact CG2-CG2 3.87Å; I272-T335 HydrophobicContact CD1-CG2 3.61Å; M331-T335 WeakPolarHBondContact O-CB 3.16Å; M331-T335 PolarHBondContact O-N 2.79Å; M331-T335 PolarHBondContact O-OG1 3.31Å; F332-T335 CarbonylContact O-C 3.56Å; F332-T335 WeakPolarHBondContact O-CA 3.36Å; F332-T335 WeakPolarHBondContact O-CB 3.43Å; F332-T335 PolarHBondContact O-N 3.03Å; F332-T335 VanDerWaalsContact O-N 3.11Å; G333-T335 VanDerWaalsContact C-N 3.29Å; G333-T335 PolarHBondContact O-N 3.32Å; T335-E338 PolarHBondContact O-N 2.96Å; T335-A339 VanDerWaalsContact O-CB 3.27Å; T335-A339 WeakPolarHBondContact O-CB 3.44Å; T335-A339 PolarHBondContact O-N 3.15Å
336M98.6Very high98Very high0 Ų013.8 Ų13.80%08%0.081CC..Hα-helixtrans-61.8-48172.4-70-174.264.600110.4L247 F332 G333 E338 A339 F340 L381 V382 I385 L403L247-M336 HydrophobicContact CD1-CB 4.27Å; L247-M336 HydrophobicContact CD1-CG 4.04Å; L247-M336 HydrophobicContact CD2-CG 4.12Å; F332-M336 HydrophobicContact CD1-CG 4.1Å; F332-M336 HydrophobicContact CD1-SD 3.99Å; F332-M336 HydrophobicContact CE1-CG 3.65Å; F332-M336 HydrophobicContact CE1-SD 3.4Å; F332-M336 WeakPolarHBondContact CE1-SD 3.45Å; F332-M336 HydrophobicContact CE2-CG 4.38Å; F332-M336 HydrophobicContact CZ-CG 3.84Å; F332-M336 HydrophobicContact CZ-SD 4.05Å; F332-M336 WeakPolarHBondContact O-CG 3.36Å; F332-M336 PolarHBondContact O-N 2.73Å; G333-M336 PolarHBondContact O-N 2.93Å; M336-E338 VanDerWaalsContact C-N 3.35Å; M336-E338 PolarHBondContact O-N 3.07Å; M336-A339 PolarHBondContact O-N 3.19Å; M336-F340 HydrophobicContact CE-CE2 4.42Å; M336-F340 VanDerWaalsContact O-CD2 3.22Å; M336-F340 WeakPolarHBondContact O-CD2 3.44Å; M336-F340 PolarHBondContact O-N 3.25Å; M336-F340 VanDerWaalsContact O-N 3.09Å; M336-L381 HydrophobicContact CE-CD2 4.13Å; M336-V382 HydrophobicContact CB-CG2 3.98Å; M336-V382 HydrophobicContact CE-CG2 3.73Å; M336-V382 HydrophobicContact SD-CG2 4.1Å; M336-I385 HydrophobicContact SD-CD1 3.68Å; M336-L403 HydrophobicContact CE-CD2 4.03Å
337W98.5Very high97.9Very high0 Ų011.4 Ų11.40%07%0.07CC..Hα-helixtrans-58.8-47.6176.2177.393.7000111.4G333 I334 A339 F340 N341 T344 P346 P368 T369 P370 I374G333-W337 PolarHBondContact O-N 3.44Å; G333-W337 VanDerWaalsContact O-N 3.09Å; I334-W337 PolarHBondContact O-N 2.67Å; W337-A339 VanDerWaalsContact C-N 3.32Å; W337-A339 PolarHBondContact O-N 3.11Å; W337-F340 PolarHBondContact O-N 2.97Å; W337-N341 VanDerWaalsContact CE2-ND2 3.27Å; W337-N341 HydrophobicContact CH2-CB 4.21Å; W337-N341 HydrophobicContact CZ2-CB 4.09Å; W337-N341 HydrophobicContact CZ3-CB 4.48Å; W337-N341 PolarHBondContact NE1-ND2 3.31Å; W337-N341 VanDerWaalsContact NE1-ND2 3.19Å; W337-N341 WeakPolarHBondContact O-CB 3.08Å; W337-N341 PolarHBondContact O-N 3.26Å; W337-N341 PolarHBondContact O-ND2 3.09Å; W337-T344 HydrophobicContact CH2-CG2 3.99Å; W337-T344 WeakPolarHBondContact CZ3-O 3.19Å; W337-P346 HydrophobicContact CE3-CB 4.15Å; W337-P346 HydrophobicContact CE3-CG 4.14Å; W337-P346 VanDerWaalsContact CZ3-CA 3.45Å; W337-P346 HydrophobicContact CZ3-CB 3.94Å; W337-P346 HydrophobicContact CZ3-CG 3.96Å; W337-P368 HydrophobicContact CD2-CB 3.48Å; W337-P368 VanDerWaalsContact CD2-CB 3.48Å; W337-P368 HydrophobicContact CD2-CG 4.27Å; W337-P368 VanDerWaalsContact CE2-CB 3.43Å; W337-P368 HydrophobicContact CE3-CB 3.94Å; W337-P368 HydrophobicContact CG-CB 3.86Å; W337-P368 HydrophobicContact CG-CG 4.38Å; W337-P368 HydrophobicContact CH2-CB 4.32Å; W337-P368 HydrophobicContact CZ2-CB 3.9Å; W337-P368 HydrophobicContact CZ3-CB 4.34Å; W337-P368 PolarHBondContact NE1-O 2.99Å; W337-P368 VanDerWaalsContact NE1-O 3.15Å; W337-T369 VanDerWaalsContact CZ2-O 3.24Å; W337-T369 WeakPolarHBondContact CZ2-O 3.48Å; W337-P370 PolarHBondContact NE1-O 2.83Å; W337-P370 VanDerWaalsContact NE1-O 3.11Å; W337-I374 HydrophobicContact CB-CD1 4.35Å; W337-I374 HydrophobicContact CG-CD1 4.47Å
338E98.3Very high97.7Very high10 Ų1016.9 Ų16.95%0.0479%0.091CC..Hα-helixtrans-57.7-45.3178.3178.5-177.1-163.100110.7T269 W312 I334 T335 M336 N341 G342 A343T269-E338 HydrophobicContact CG2-CB 4.1Å; T269-E338 HydrophobicContact CG2-CG 3.68Å; T269-E338 WeakPolarHBondContact CG2-OE2 3.48Å; T269-E338 PolarHBondContact N-OE2 3.26Å; T269-E338 PolarHBondContact OG1-OE1 3.04Å; T269-E338 PolarHBondContact OG1-OE2 2.8Å; W312-E338 PolarHBondContact NE1-OE2 2.87Å; I334-E338 VanDerWaalsContact O-CB 3.32Å; I334-E338 WeakPolarHBondContact O-CB 3.34Å; I334-E338 PolarHBondContact O-N 3.2Å; T335-E338 PolarHBondContact O-N 2.96Å; M336-E338 VanDerWaalsContact C-N 3.35Å; M336-E338 PolarHBondContact O-N 3.07Å; E338-N341 CarbonylContact O-C 3.6Å; E338-N341 PolarHBondContact O-N 3.04Å; E338-G342 PolarHBondContact O-N 3.39Å; E338-A343 HydrophobicContact CG-CB 4.46Å; E338-A343 WeakPolarHBondContact O-CA 3.4Å; E338-A343 PolarHBondContact O-N 2.88Å
339A98.6Very high97.4Very high0 Ų019.7 Ų19.70%011%0.105CC..Hα-helixtrans-64.3-48.3-178.300000112.9F229 L233 I243 L247 T269 T335 M336 W337 N341 G342F229-A339 HydrophobicContact CD1-CB 4.48Å; F229-A339 HydrophobicContact CE1-CB 3.59Å; F229-A339 HydrophobicContact CZ-CB 4.1Å; L233-A339 HydrophobicContact CD1-CB 4.14Å; L233-A339 VanDerWaalsContact CD2-O 3.27Å; L233-A339 WeakPolarHBondContact CD2-O 3.32Å; I243-A339 HydrophobicContact CG2-CB 3.86Å; L247-A339 HydrophobicContact CD1-CB 4.2Å; L247-A339 HydrophobicContact CD2-CB 4.19Å; L247-A339 HydrophobicContact CG-CB 4.47Å; T269-A339 HydrophobicContact CG2-CB 3.98Å; T335-A339 VanDerWaalsContact O-CB 3.27Å; T335-A339 WeakPolarHBondContact O-CB 3.44Å; T335-A339 PolarHBondContact O-N 3.15Å; M336-A339 PolarHBondContact O-N 3.19Å; W337-A339 VanDerWaalsContact C-N 3.32Å; W337-A339 PolarHBondContact O-N 3.11Å; A339-N341 PolarHBondContact O-N 3.47Å; A339-G342 PolarHBondContact O-N 2.79Å
340F98.2Very high97.2Very high15 Ų1521.2 Ų21.27%0.06611%0.113CC..Hα-helixtrans-71.2-19.4178-74.1-64.7000113.2C240 I243 L247 M336 W337 G342 I374 P375 L378C240-F340 HydrophobicContact CB-CE1 4.23Å; I243-F340 HydrophobicContact CB-CD1 4.31Å; I243-F340 HydrophobicContact CB-CE1 3.92Å; I243-F340 HydrophobicContact CB-CZ 4.46Å; I243-F340 HydrophobicContact CD1-CD1 4.27Å; I243-F340 HydrophobicContact CG2-CD1 3.73Å; I243-F340 HydrophobicContact CG2-CD2 4.41Å; I243-F340 HydrophobicContact CG2-CE1 3.51Å; I243-F340 HydrophobicContact CG2-CE2 4.22Å; I243-F340 HydrophobicContact CG2-CG 4.17Å; I243-F340 HydrophobicContact CG2-CZ 3.77Å; L247-F340 HydrophobicContact CD1-CD2 4.2Å; L247-F340 HydrophobicContact CD1-CE2 3.56Å; L247-F340 HydrophobicContact CD1-CZ 4Å; M336-F340 HydrophobicContact CE-CE2 4.42Å; M336-F340 VanDerWaalsContact O-CD2 3.22Å; M336-F340 WeakPolarHBondContact O-CD2 3.44Å; M336-F340 PolarHBondContact O-N 3.25Å; M336-F340 VanDerWaalsContact O-N 3.09Å; W337-F340 PolarHBondContact O-N 2.97Å; F340-G342 VanDerWaalsContact C-N 3.35Å; F340-I374 HydrophobicContact CB-CB 4.39Å; F340-I374 HydrophobicContact CB-CG1 3.82Å; F340-I374 HydrophobicContact CD2-CB 4.47Å; F340-I374 HydrophobicContact CD2-CG1 4.29Å; F340-I374 HydrophobicContact CD2-CG2 3.97Å; F340-I374 HydrophobicContact CE2-CG2 4.37Å; F340-I374 HydrophobicContact CG-CG1 4.33Å; F340-I374 HydrophobicContact CG-CG2 4.41Å; F340-P375 VanDerWaalsContact CD1-CD 3.45Å; F340-P375 HydrophobicContact CD1-CG 4.14Å; F340-P375 VanDerWaalsContact CE1-CD 3.45Å; F340-P375 HydrophobicContact CE1-CG 3.69Å; F340-P375 HydrophobicContact CZ-CG 4.15Å; F340-L378 HydrophobicContact CE2-CD1 3.85Å; F340-L378 HydrophobicContact CZ-CD1 3.55Å
341N97.7Very high96.9Very high10 Ų1025.8 Ų25.85%0.05313%0.134CC..THydrogen-bonded Turntrans-96.225.5172.8-73-80.4000112.9W337 E338 A339 A343 T344 P370 N373W337-N341 VanDerWaalsContact CE2-ND2 3.27Å; W337-N341 HydrophobicContact CH2-CB 4.21Å; W337-N341 HydrophobicContact CZ2-CB 4.09Å; W337-N341 HydrophobicContact CZ3-CB 4.48Å; W337-N341 PolarHBondContact NE1-ND2 3.31Å; W337-N341 VanDerWaalsContact NE1-ND2 3.19Å; W337-N341 WeakPolarHBondContact O-CB 3.08Å; W337-N341 PolarHBondContact O-N 3.26Å; W337-N341 PolarHBondContact O-ND2 3.09Å; E338-N341 CarbonylContact O-C 3.6Å; E338-N341 PolarHBondContact O-N 3.04Å; A339-N341 PolarHBondContact O-N 3.47Å; N341-A343 VanDerWaalsContact C-N 3.33Å; N341-A343 PolarHBondContact O-N 3.4Å; N341-T344 VanDerWaalsContact O-CB 3.29Å; N341-T344 WeakPolarHBondContact O-CB 3.11Å; N341-T344 PolarHBondContact O-N 2.98Å; N341-T344 VanDerWaalsContact O-N 3.1Å; N341-T344 PolarHBondContact O-OG1 2.91Å; N341-P370 PolarHBondContact ND2-O 2.98Å; N341-P370 WeakPolarHBondContact OD1-CD 3.41Å; N341-P370 WeakPolarHBondContact OD1-CG 3.33Å; N341-P370 PolarHBondContact OD1-O 3.28Å; N341-N373 WeakPolarHBondContact OD1-CB 3.41Å; N341-N373 PolarHBondContact OD1-ND2 3.3Å
342G97.2Very high96.5Very high33 Ų3331.7 Ų31.734%0.3417%0.172SC..THydrogen-bonded Turntrans65.333.5170.800000114E338 A339 F340 T344E338-G342 PolarHBondContact O-N 3.39Å; A339-G342 PolarHBondContact O-N 2.79Å; F340-G342 VanDerWaalsContact C-N 3.35Å; G342-T344 VanDerWaalsContact C-N 3.26Å; G342-T344 PolarHBondContact O-N 3.29Å
343A97.3Very high96.1Very high9 Ų933.3 Ų33.37%0.07418%0.18CC..THydrogen-bonded Turntrans58.235.6-173.300000114D230 L233 K234 E338 N341D230-A343 HydrophobicContact CB-CB 3.82Å; L233-A343 HydrophobicContact CB-CB 4.06Å; L233-A343 HydrophobicContact CD1-CB 4.07Å; K234-A343 HydrophobicContact CG-CB 4.26Å; E338-A343 HydrophobicContact CG-CB 4.46Å; E338-A343 WeakPolarHBondContact O-CA 3.4Å; E338-A343 PolarHBondContact O-N 2.88Å; N341-A343 VanDerWaalsContact C-N 3.33Å; N341-A343 PolarHBondContact O-N 3.4Å
344T96.7Very high95.8Very high56 Ų5637.7 Ų37.734%0.34420%0.204SC..PPolyproline II helixtrans-62.8143.3165.8-62.80000110W337 N341 G342 P346 Y348W337-T344 HydrophobicContact CH2-CG2 3.99Å; W337-T344 WeakPolarHBondContact CZ3-O 3.19Å; N341-T344 VanDerWaalsContact O-CB 3.29Å; N341-T344 WeakPolarHBondContact O-CB 3.11Å; N341-T344 PolarHBondContact O-N 2.98Å; N341-T344 VanDerWaalsContact O-N 3.1Å; N341-T344 PolarHBondContact O-OG1 2.91Å; G342-T344 VanDerWaalsContact C-N 3.26Å; G342-T344 PolarHBondContact O-N 3.29Å; T344-P346 WeakPolarHBondContact O-CD 3.27Å; T344-Y348 HydrophobicContact CG2-CD1 3.73Å; T344-Y348 HydrophobicContact CG2-CE1 4.02Å; T344-Y348 HydrophobicContact CG2-CG 4.49Å
345I95.3Very high95.6Very high99 Ų9941.1 Ų41.151%0.50822%0.222SC..PPolyproline II helixtrans-64.4124.7177.9-61.2173.2000109.1Y348I345-Y348 PolarHBondContact O-N 3.41Å
346P96.7Very high95.3Very high0 Ų048.6 Ų48.60%026%0.257CS..THydrogen-bonded Turntrans-62142.6177.9-21.131.2000112.3R311 W312 I334 W337 T344 Y348R311-P346 HydrophobicContact CB-CB 4.27Å; R311-P346 WeakPolarHBondContact CD-O 3.26Å; R311-P346 PolarHBondContact NH1-O 3.23Å; W312-P346 HydrophobicContact CZ2-CG 4.16Å; I334-P346 HydrophobicContact CG2-CB 3.82Å; I334-P346 HydrophobicContact CG2-CG 3.58Å; W337-P346 HydrophobicContact CE3-CB 4.15Å; W337-P346 HydrophobicContact CE3-CG 4.14Å; W337-P346 VanDerWaalsContact CZ3-CA 3.45Å; W337-P346 HydrophobicContact CZ3-CB 3.94Å; W337-P346 HydrophobicContact CZ3-CG 3.96Å; T344-P346 WeakPolarHBondContact O-CD 3.27Å; P346-Y348 PolarHBondContact O-N 3.08Å
347F95.9Very high95.1Very high2 Ų250.5 Ų50.51%0.00927%0.27CS..THydrogen-bonded Turntrans59.729178.6-49.7-79000113.9R311 I334 E349 L350 M353 L358 Y361 L362 P368R311-F347 HydrophobicContact CB-CD2 4.45Å; R311-F347 VanDerWaalsContact O-CE2 3.3Å; R311-F347 WeakPolarHBondContact O-CE2 3.37Å; I334-F347 HydrophobicContact CD1-CE2 4.02Å; I334-F347 HydrophobicContact CD1-CZ 3.92Å; F347-E349 WeakPolarHBondContact CA-OE2 3.39Å; F347-E349 PolarHBondContact O-N 3.17Å; F347-L350 HydrophobicContact CB-CD1 4.13Å; F347-L350 HydrophobicContact CB-CG 4.37Å; F347-L350 HydrophobicContact CD1-CD1 4.42Å; F347-L350 PolarHBondContact O-N 3.33Å; F347-M353 HydrophobicContact CB-CE 3.32Å; F347-M353 HydrophobicContact CG-CE 4.42Å; F347-M353 WeakPolarHBondContact O-CE 3.37Å; F347-L358 HydrophobicContact CB-CD1 4.34Å; F347-L358 HydrophobicContact CD1-CD1 3.9Å; F347-L358 HydrophobicContact CD2-CD1 3.79Å; F347-L358 HydrophobicContact CE1-CD1 4.05Å; F347-L358 HydrophobicContact CE2-CD1 3.97Å; F347-L358 HydrophobicContact CG-CD1 3.76Å; F347-L358 HydrophobicContact CZ-CD1 4.09Å; F347-Y361 HydrophobicContact CD1-CD1 4.02Å; F347-Y361 AromaticContact CD1-CE1 3.87Å; F347-Y361 HydrophobicContact CD1-CE1 3.87Å; F347-Y361 HydrophobicContact CE1-CD1 4.1Å; F347-Y361 HydrophobicContact CE1-CE1 4.03Å; F347-L362 HydrophobicContact CE1-CD2 3.75Å; F347-L362 HydrophobicContact CZ-CD2 3.7Å; F347-P368 HydrophobicContact CD1-CB 4.38Å; F347-P368 HydrophobicContact CD1-CG 3.96Å; F347-P368 HydrophobicContact CD2-CG 4.34Å; F347-P368 HydrophobicContact CE1-CB 4.33Å; F347-P368 VanDerWaalsContact CE1-CD 3.42Å; F347-P368 HydrophobicContact CE1-CG 3.49Å; F347-P368 VanDerWaalsContact CE1-CG 3.49Å; F347-P368 HydrophobicContact CE2-CG 3.9Å; F347-P368 HydrophobicContact CG-CG 4.36Å; F347-P368 HydrophobicContact CZ-CG 3.44Å; F347-P368 VanDerWaalsContact CZ-CG 3.44Å
348Y94.3Very high95Very high114 Ų11450.5 Ų50.545%0.44727%0.27SS..G310 helixtrans-60.1-22.4177.276.2-86000112.6T344 I345 P346 L350 E351 T369T344-Y348 HydrophobicContact CG2-CD1 3.73Å; T344-Y348 HydrophobicContact CG2-CE1 4.02Å; T344-Y348 HydrophobicContact CG2-CG 4.49Å; I345-Y348 PolarHBondContact O-N 3.41Å; P346-Y348 PolarHBondContact O-N 3.08Å; Y348-L350 PolarHBondContact O-N 3.22Å; Y348-E351 WeakPolarHBondContact O-CB 3.28Å; Y348-E351 VanDerWaalsContact O-CG 3.32Å; Y348-E351 WeakPolarHBondContact O-CG 3.24Å; Y348-E351 PolarHBondContact O-N 2.84Å; Y348-T369 VanDerWaalsContact CE1-O 3.28Å; Y348-T369 WeakPolarHBondContact CE1-O 3.35Å
349E92.1Very high94.8Very high60 Ų6051.3 Ų51.328%0.2827%0.274SS..G310 helixtrans-66.2-16.9174.965.1-92-135.900113.6F347 T369F347-E349 WeakPolarHBondContact CA-OE2 3.39Å; F347-E349 PolarHBondContact O-N 3.17Å; E349-T369 VanDerWaalsContact CD-OG1 3.25Å; E349-T369 PolarHBondContact OE1-N 3.07Å; E349-T369 PolarHBondContact OE1-OG1 3.44Å
350L93.4Very high94.6Very high36 Ų3656.5 Ų56.519%0.18830%0.302CS..G310 helixtrans-93.15.8177.4-56.4-176.9000112.9F347 Y348 P352 M353 L358 Y361F347-L350 HydrophobicContact CB-CD1 4.13Å; F347-L350 HydrophobicContact CB-CG 4.37Å; F347-L350 HydrophobicContact CD1-CD1 4.42Å; F347-L350 PolarHBondContact O-N 3.33Å; Y348-L350 PolarHBondContact O-N 3.22Å; L350-P352 CarbonylContact O-C 3.4Å; L350-M353 HydrophobicContact CB-CB 4.2Å; L350-M353 HydrophobicContact CB-CE 4.08Å; L350-M353 HydrophobicContact CB-CG 4.02Å; L350-M353 HydrophobicContact CD1-CE 4.47Å; L350-M353 HydrophobicContact CD1-CG 4.5Å; L350-M353 WeakPolarHBondContact O-CA 3.4Å; L350-M353 PolarHBondContact O-N 3.45Å; L350-L358 HydrophobicContact CD1-CD1 4.1Å; L350-Y361 HydrophobicContact CD1-CD1 3.83Å; L350-Y361 HydrophobicContact CD1-CD2 4.28Å; L350-Y361 HydrophobicContact CD1-CE1 4.44Å; L350-Y361 HydrophobicContact CD1-CG 3.72Å; L350-Y361 HydrophobicContact CD2-CD2 3.68Å; L350-Y361 HydrophobicContact CD2-CE2 3.92Å; L350-Y361 HydrophobicContact CD2-CG 4Å; L350-Y361 HydrophobicContact CG-CG 4.42Å
351E92.6Very high94.5Very high97 Ų9758.3 Ų58.345%0.45331%0.309SS..PPolyproline II helixtrans-69.3135.7-178.4-68.8-56.1152.100113R311 Y348 M353R311-E351 IonicContact CZ-OE1 3.27Å; R311-E351 IonicContact NH1-OE1 3.81Å; R311-E351 PolarHBondContact NH1-OE1 2.87Å; R311-E351 IonicContact NH2-OE1 2.74Å; R311-E351 PolarHBondContact NH2-OE1 3.01Å; Y348-E351 WeakPolarHBondContact O-CB 3.28Å; Y348-E351 VanDerWaalsContact O-CG 3.32Å; Y348-E351 WeakPolarHBondContact O-CG 3.24Å; Y348-E351 PolarHBondContact O-N 2.84Å; E351-M353 PolarHBondContact OE2-N 3.09Å; E351-M353 VanDerWaalsContact OE2-N 3.13Å
352P90.8Very high94.4Very high125 Ų12558 Ų5881%0.81231%0.307SS*.SBendcis-73.8123.7-3.330.3-33.9000112.3L350L350-P352 CarbonylContact O-C 3.4Å
353M91.1Very high94.1Very high33 Ų3362.9 Ų62.916%0.16332%0.321CS..PPolyproline II helixtrans-96.4142.5-173.8-171.3-155.8-54.200112.5F347 L350 E351 L358F347-M353 HydrophobicContact CB-CE 3.32Å; F347-M353 HydrophobicContact CG-CE 4.42Å; F347-M353 WeakPolarHBondContact O-CE 3.37Å; L350-M353 HydrophobicContact CB-CB 4.2Å; L350-M353 HydrophobicContact CB-CE 4.08Å; L350-M353 HydrophobicContact CB-CG 4.02Å; L350-M353 HydrophobicContact CD1-CE 4.47Å; L350-M353 HydrophobicContact CD1-CG 4.5Å; L350-M353 WeakPolarHBondContact O-CA 3.4Å; L350-M353 PolarHBondContact O-N 3.45Å; E351-M353 PolarHBondContact OE2-N 3.09Å; E351-M353 VanDerWaalsContact OE2-N 3.13Å; M353-L358 HydrophobicContact CG-CB 4.25Å; M353-L358 HydrophobicContact SD-CB 3.91Å; M353-L358 HydrophobicContact SD-CD1 4.2Å; M353-L358 HydrophobicContact SD-CD2 3.98Å; M353-L358 HydrophobicContact SD-CG 4.24Å
354N92.1Very high93.9Very high92 Ų9267.4 Ų67.449%0.49235%0.348SS..  trans-125173.716468.748.4000111.4E356 S357 L358N354-E356 VanDerWaalsContact C-N 3.31Å; N354-E356 PolarHBondContact O-N 3.13Å; N354-E356 WeakPolarHBondContact OD1-CA 3.41Å; N354-E356 WeakPolarHBondContact OD1-CB 3.45Å; N354-E356 PolarHBondContact OD1-N 3.39Å; N354-S357 PolarHBondContact N-OG 2.99Å; N354-S357 VanDerWaalsContact N-OG 3.14Å; N354-S357 PolarHBondContact O-N 2.92Å; N354-S357 PolarHBondContact O-OG 3.37Å; N354-S357 PolarHBondContact OD1-N 3.22Å; N354-S357 PolarHBondContact OD1-OG 3.27Å; N354-L358 PolarHBondContact O-N 2.89Å; N354-L358 VanDerWaalsContact O-N 3.12Å
355L92.8Very high93.5Very high73 Ų7366.8 Ų66.838%0.38235%0.353SS..Hα-helixtrans-60.6-39.3-177.5179.460.1000112.7V310 L318 L359V310-L355 HydrophobicContact CG1-CD1 4.36Å; L318-L355 HydrophobicContact CB-CD1 3.98Å; L318-L355 HydrophobicContact CD1-CD1 4.29Å; L318-L355 HydrophobicContact CD2-CD1 3.75Å; L318-L355 HydrophobicContact CG-CD1 4.22Å; L355-L359 HydrophobicContact CD1-CD1 4.24Å; L355-L359 HydrophobicContact CD1-CG 4.35Å; L355-L359 HydrophobicContact CG-CD1 4.16Å; L355-L359 WeakPolarHBondContact O-CB 3.38Å; L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 3.2Å
356E93.8Very high93.2Very high156 Ų15663.1 Ų63.173%0.72934%0.337SS*.Hα-helixtrans-68.8-45.4-178.1-174.2177.9-177.200111.4N354 L358 L359 L360N354-E356 VanDerWaalsContact C-N 3.31Å; N354-E356 PolarHBondContact O-N 3.13Å; N354-E356 WeakPolarHBondContact OD1-CA 3.41Å; N354-E356 WeakPolarHBondContact OD1-CB 3.45Å; N354-E356 PolarHBondContact OD1-N 3.39Å; E356-L358 VanDerWaalsContact C-N 3.32Å; E356-L358 PolarHBondContact O-N 3.33Å; E356-L359 PolarHBondContact O-N 3.33Å; E356-L360 WeakPolarHBondContact O-CB 3.46Å; E356-L360 PolarHBondContact O-N 2.83Å
357S93.8Very high92.9Very high41 Ų4165.1 Ų65.129%0.28735%0.345SS..Hα-helixtrans-64-38.2177.7690000111.9N354 Y361N354-S357 PolarHBondContact N-OG 2.99Å; N354-S357 VanDerWaalsContact N-OG 3.14Å; N354-S357 PolarHBondContact O-N 2.92Å; N354-S357 PolarHBondContact O-OG 3.37Å; N354-S357 PolarHBondContact OD1-N 3.22Å; N354-S357 PolarHBondContact OD1-OG 3.27Å; S357-Y361 WeakPolarHBondContact O-CB 3.22Å; S357-Y361 PolarHBondContact O-N 3.28Å
358L96Very high92.7Very high0 Ų065.1 Ų65.10%034%0.344CS..Hα-helixtrans-65.6-47.3174.8178.860.6000111.7V310 L318 F347 L350 M353 N354 E356 L360 Y361 L362V310-L358 HydrophobicContact CG1-CD2 3.81Å; L318-L358 HydrophobicContact CD1-CD2 3.96Å; F347-L358 HydrophobicContact CB-CD1 4.34Å; F347-L358 HydrophobicContact CD1-CD1 3.9Å; F347-L358 HydrophobicContact CD2-CD1 3.79Å; F347-L358 HydrophobicContact CE1-CD1 4.05Å; F347-L358 HydrophobicContact CE2-CD1 3.97Å; F347-L358 HydrophobicContact CG-CD1 3.76Å; F347-L358 HydrophobicContact CZ-CD1 4.09Å; L350-L358 HydrophobicContact CD1-CD1 4.1Å; M353-L358 HydrophobicContact CG-CB 4.25Å; M353-L358 HydrophobicContact SD-CB 3.91Å; M353-L358 HydrophobicContact SD-CD1 4.2Å; M353-L358 HydrophobicContact SD-CD2 3.98Å; M353-L358 HydrophobicContact SD-CG 4.24Å; N354-L358 PolarHBondContact O-N 2.89Å; N354-L358 VanDerWaalsContact O-N 3.12Å; E356-L358 VanDerWaalsContact C-N 3.32Å; E356-L358 PolarHBondContact O-N 3.33Å; L358-L360 VanDerWaalsContact C-N 3.34Å; L358-L360 PolarHBondContact O-N 3.13Å; L358-Y361 WeakPolarHBondContact O-CB 3.38Å; L358-Y361 PolarHBondContact O-N 2.86Å; L358-L362 HydrophobicContact CD1-CD1 4.11Å; L358-L362 HydrophobicContact CD1-CG 4.13Å; L358-L362 HydrophobicContact CG-CD1 4.06Å; L358-L362 HydrophobicContact CG-CG 4.46Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.35Å; L358-L362 PolarHBondContact O-N 2.93Å
359L95.3Very high92.7Very high26 Ų2662.5 Ų62.514%0.13634%0.34CS..Hα-helixtrans-60.1-44.6177.9-78.8172.5000111.5L318 D319 L355 E356 Y361 L362 Q363L318-L359 HydrophobicContact CB-CD2 3.77Å; L318-L359 HydrophobicContact CB-CG 4.39Å; L318-L359 HydrophobicContact CD1-CD2 4.26Å; D319-L359 HydrophobicContact CB-CD1 4.37Å; D319-L359 HydrophobicContact CB-CD2 4.31Å; L355-L359 HydrophobicContact CD1-CD1 4.24Å; L355-L359 HydrophobicContact CD1-CG 4.35Å; L355-L359 HydrophobicContact CG-CD1 4.16Å; L355-L359 WeakPolarHBondContact O-CB 3.38Å; L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 3.2Å; E356-L359 PolarHBondContact O-N 3.33Å; L359-Y361 PolarHBondContact O-N 3.03Å; L359-L362 PolarHBondContact O-N 3.37Å; L359-Q363 WeakPolarHBondContact O-CB 3.42Å; L359-Q363 VanDerWaalsContact O-CG 3.24Å; L359-Q363 WeakPolarHBondContact O-CG 3.37Å; L359-Q363 PolarHBondContact O-N 2.61Å
360L94.4Very high92.7Very high110 Ų11061.5 Ų61.558%0.57634%0.339SS*.Hα-helixtrans-60.7-44.6175.8-177.363000111.4E356 L358 L362 Q363 T364E356-L360 WeakPolarHBondContact O-CB 3.46Å; E356-L360 PolarHBondContact O-N 2.83Å; L358-L360 VanDerWaalsContact C-N 3.34Å; L358-L360 PolarHBondContact O-N 3.13Å; L360-L362 PolarHBondContact O-N 3.34Å; L360-Q363 PolarHBondContact O-N 2.69Å; L360-T364 WeakPolarHBondContact O-CG2 3.46Å; L360-T364 PolarHBondContact O-N 3.31Å
361Y94.9Very high92.6Very high53 Ų5361.5 Ų61.521%0.20834%0.339CS..Hα-helixtrans-58.5-48.5177-174.3-104.8000111.5F347 L350 S357 L358 L359 Q363 T364 A366 R367F347-Y361 HydrophobicContact CD1-CD1 4.02Å; F347-Y361 AromaticContact CD1-CE1 3.87Å; F347-Y361 HydrophobicContact CD1-CE1 3.87Å; F347-Y361 HydrophobicContact CE1-CD1 4.1Å; F347-Y361 HydrophobicContact CE1-CE1 4.03Å; L350-Y361 HydrophobicContact CD1-CD1 3.83Å; L350-Y361 HydrophobicContact CD1-CD2 4.28Å; L350-Y361 HydrophobicContact CD1-CE1 4.44Å; L350-Y361 HydrophobicContact CD1-CG 3.72Å; L350-Y361 HydrophobicContact CD2-CD2 3.68Å; L350-Y361 HydrophobicContact CD2-CE2 3.92Å; L350-Y361 HydrophobicContact CD2-CG 4Å; L350-Y361 HydrophobicContact CG-CG 4.42Å; S357-Y361 WeakPolarHBondContact O-CB 3.22Å; S357-Y361 PolarHBondContact O-N 3.28Å; L358-Y361 WeakPolarHBondContact O-CB 3.38Å; L358-Y361 PolarHBondContact O-N 2.86Å; L359-Y361 PolarHBondContact O-N 3.03Å; Y361-Q363 VanDerWaalsContact C-N 3.34Å; Y361-Q363 PolarHBondContact O-N 3.34Å; Y361-T364 PolarHBondContact O-N 2.96Å; Y361-T364 PolarHBondContact O-OG1 2.68Å; Y361-A366 HydrophobicContact CD1-CB 3.75Å; Y361-A366 HydrophobicContact CD2-CB 3.88Å; Y361-A366 HydrophobicContact CE1-CB 3.43Å; Y361-A366 VanDerWaalsContact CE1-CB 3.43Å; Y361-A366 HydrophobicContact CE2-CB 3.57Å; Y361-A366 HydrophobicContact CG-CB 3.98Å; Y361-A366 WeakPolarHBondContact O-CB 3.48Å; Y361-R367 WeakPolarHBondContact CE1-O 3.38Å; Y361-R367 PolarHBondContact OH-O 2.92Å
362L95Very high92.5Very high3 Ų362.2 Ų62.22%0.01635%0.35CS..Hα-helixtrans-63.8-37.2178.7-66.1175.6000112.6P315 L318 W330 F347 L358 L359 L360 T364 G365 I388P315-L362 HydrophobicContact CG-CD1 4.28Å; L318-L362 HydrophobicContact CD1-CD1 4.42Å; W330-L362 HydrophobicContact CH2-CD1 4.42Å; W330-L362 HydrophobicContact CH2-CD2 4.03Å; W330-L362 HydrophobicContact CZ2-CD1 3.99Å; W330-L362 HydrophobicContact CZ2-CD2 3.9Å; F347-L362 HydrophobicContact CE1-CD2 3.75Å; F347-L362 HydrophobicContact CZ-CD2 3.7Å; L358-L362 HydrophobicContact CD1-CD1 4.11Å; L358-L362 HydrophobicContact CD1-CG 4.13Å; L358-L362 HydrophobicContact CG-CD1 4.06Å; L358-L362 HydrophobicContact CG-CG 4.46Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.35Å; L358-L362 PolarHBondContact O-N 2.93Å; L359-L362 PolarHBondContact O-N 3.37Å; L360-L362 PolarHBondContact O-N 3.34Å; L362-T364 PolarHBondContact O-N 2.95Å; L362-G365 PolarHBondContact O-N 3.05Å; L362-I388 HydrophobicContact CB-CD1 4.2Å
363Q91.8Very high92.7Very high135 Ų13560.3 Ų60.363%0.63133%0.333SS*.Hα-helixtrans-62.6-26.1177.2-77.5172.8-6.400113.3L359 L360 Y361 G365L359-Q363 WeakPolarHBondContact O-CB 3.42Å; L359-Q363 VanDerWaalsContact O-CG 3.24Å; L359-Q363 WeakPolarHBondContact O-CG 3.37Å; L359-Q363 PolarHBondContact O-N 2.61Å; L360-Q363 PolarHBondContact O-N 2.69Å; Y361-Q363 VanDerWaalsContact C-N 3.34Å; Y361-Q363 PolarHBondContact O-N 3.34Å; Q363-G365 PolarHBondContact O-N 3.05Å
364T92.3Very high93Very high105 Ų10558.8 Ų58.864%0.64433%0.326SS*.THydrogen-bonded Turntrans-73.5-6.1173.769.80000113.5L360 Y361 L362 A366L360-T364 WeakPolarHBondContact O-CG2 3.46Å; L360-T364 PolarHBondContact O-N 3.31Å; Y361-T364 PolarHBondContact O-N 2.96Å; Y361-T364 PolarHBondContact O-OG1 2.68Å; L362-T364 PolarHBondContact O-N 2.95Å; T364-A366 VanDerWaalsContact C-N 3.32Å; T364-A366 WeakPolarHBondContact OG1-CB 3.37Å; T364-A366 PolarHBondContact OG1-N 3.2Å
365G88.8Confident93.2Very high43 Ų4355.3 Ų55.344%0.44331%0.308SS..THydrogen-bonded Turntrans83.57.3-171.200000113.5L362 Q363 R367L362-G365 PolarHBondContact O-N 3.05Å; Q363-G365 PolarHBondContact O-N 3.05Å; G365-R367 VanDerWaalsContact C-NH1 3.29Å; G365-R367 PolarHBondContact O-NH1 3.05Å
366A90.2Very high93.3Very high22 Ų2260 Ų6018%0.18233%0.325CS..  trans-68.9162.2176.600000112.6Y361 T364Y361-A366 HydrophobicContact CD1-CB 3.75Å; Y361-A366 HydrophobicContact CD2-CB 3.88Å; Y361-A366 HydrophobicContact CE1-CB 3.43Å; Y361-A366 VanDerWaalsContact CE1-CB 3.43Å; Y361-A366 HydrophobicContact CE2-CB 3.57Å; Y361-A366 HydrophobicContact CG-CB 3.98Å; Y361-A366 WeakPolarHBondContact O-CB 3.48Å; T364-A366 VanDerWaalsContact C-N 3.32Å; T364-A366 WeakPolarHBondContact OG1-CB 3.37Å; T364-A366 PolarHBondContact OG1-N 3.2Å
367R89.8Confident93.3Very high42 Ų4258 Ų5816%0.15832%0.316CS..  trans-136.3162.6-175.3-60.8-64.3-178.4-92.9-5.7109.6Y361 G365 L386Y361-R367 WeakPolarHBondContact CE1-O 3.38Å; Y361-R367 PolarHBondContact OH-O 2.92Å; G365-R367 VanDerWaalsContact C-NH1 3.29Å; G365-R367 PolarHBondContact O-NH1 3.05Å; R367-L386 VanDerWaalsContact NE-CB 3.28Å; R367-L386 PolarHBondContact NE-O 3.29Å; R367-L386 PolarHBondContact NH2-O 3.35Å
368P92.4Very high93.5Very high1 Ų156 Ų561%0.00630%0.302CS..  trans-54.4139.3167.4-22.332.2000111.5I334 W337 F347I334-P368 HydrophobicContact CD1-CG 3.85Å; W337-P368 HydrophobicContact CD2-CB 3.48Å; W337-P368 VanDerWaalsContact CD2-CB 3.48Å; W337-P368 HydrophobicContact CD2-CG 4.27Å; W337-P368 VanDerWaalsContact CE2-CB 3.43Å; W337-P368 HydrophobicContact CE3-CB 3.94Å; W337-P368 HydrophobicContact CG-CB 3.86Å; W337-P368 HydrophobicContact CG-CG 4.38Å; W337-P368 HydrophobicContact CH2-CB 4.32Å; W337-P368 HydrophobicContact CZ2-CB 3.9Å; W337-P368 HydrophobicContact CZ3-CB 4.34Å; W337-P368 PolarHBondContact NE1-O 2.99Å; W337-P368 VanDerWaalsContact NE1-O 3.15Å; F347-P368 HydrophobicContact CD1-CB 4.38Å; F347-P368 HydrophobicContact CD1-CG 3.96Å; F347-P368 HydrophobicContact CD2-CG 4.34Å; F347-P368 HydrophobicContact CE1-CB 4.33Å; F347-P368 VanDerWaalsContact CE1-CD 3.42Å; F347-P368 HydrophobicContact CE1-CG 3.49Å; F347-P368 VanDerWaalsContact CE1-CG 3.49Å; F347-P368 HydrophobicContact CE2-CG 3.9Å; F347-P368 HydrophobicContact CG-CG 4.36Å; F347-P368 HydrophobicContact CZ-CG 3.44Å; F347-P368 VanDerWaalsContact CZ-CG 3.44Å
369T92.7Very high93.5Very high59 Ų5958.8 Ų58.836%0.36232%0.315SS..SBendtrans-116.1144.4178.460.60000111.4W337 Y348 E349W337-T369 VanDerWaalsContact CZ2-O 3.24Å; W337-T369 WeakPolarHBondContact CZ2-O 3.48Å; Y348-T369 VanDerWaalsContact CE1-O 3.28Å; Y348-T369 WeakPolarHBondContact CE1-O 3.35Å; E349-T369 VanDerWaalsContact CD-OG1 3.25Å; E349-T369 PolarHBondContact OE1-N 3.07Å; E349-T369 PolarHBondContact OE1-OG1 3.44Å
370P92.6Very high93.5Very high40 Ų4064.2 Ų64.226%0.2634%0.34SS..  cis-92.3148.66.736-34.4000113.6W337 N341 T372W337-P370 PolarHBondContact NE1-O 2.83Å; W337-P370 VanDerWaalsContact NE1-O 3.11Å; N341-P370 PolarHBondContact ND2-O 2.98Å; N341-P370 WeakPolarHBondContact OD1-CD 3.41Å; N341-P370 WeakPolarHBondContact OD1-CG 3.33Å; N341-P370 PolarHBondContact OD1-O 3.28Å; P370-T372 VanDerWaalsContact C-N 3.32Å
371M91.1Very high93.7Very high35 Ų3559.2 Ų59.217%0.17231%0.314CS..  trans-82.9-12.4168.9-68.2-66.6-75.900112.3N373 I374 Q379 V382M371-N373 VanDerWaalsContact C-N 3.28Å; M371-N373 PolarHBondContact O-N 3.46Å; M371-I374 HydrophobicContact CE-CD1 3.94Å; M371-I374 WeakPolarHBondContact O-CB 3.43Å; M371-I374 PolarHBondContact O-N 2.95Å; M371-I374 VanDerWaalsContact O-N 3.13Å; M371-I374 HydrophobicContact SD-CD1 3.72Å; M371-Q379 PolarHBondContact O-NE2 3.4Å; M371-V382 HydrophobicContact CE-CB 4.05Å; M371-V382 HydrophobicContact CE-CG1 3.89Å; M371-V382 HydrophobicContact SD-CG1 4.4Å
372T91.8Very high93.8Very high113 Ų11356.7 Ų56.769%0.69330%0.304SS*.THydrogen-bonded Turntrans-69.4-21.2-173.254.80000114.4P370 I374P370-T372 VanDerWaalsContact C-N 3.32Å; T372-I374 VanDerWaalsContact C-N 3.31Å
373N94.8Very high93.8Very high84 Ų8460 Ų6045%0.44932%0.321SS..THydrogen-bonded Turntrans-80.9-15.6176.1-65.9-19.7000112.5N341 M371N341-N373 WeakPolarHBondContact OD1-CB 3.41Å; N341-N373 PolarHBondContact OD1-ND2 3.3Å; M371-N373 VanDerWaalsContact C-N 3.28Å; M371-N373 PolarHBondContact O-N 3.46Å
374I96.7Very high94Very high2 Ų256.5 Ų56.51%0.0131%0.305CS..SBendtrans-78.3132173.4-53.4-178.6000107.7W337 F340 M371 T372 K376 L378 Q379 V382W337-I374 HydrophobicContact CB-CD1 4.35Å; W337-I374 HydrophobicContact CG-CD1 4.47Å; F340-I374 HydrophobicContact CB-CB 4.39Å; F340-I374 HydrophobicContact CB-CG1 3.82Å; F340-I374 HydrophobicContact CD2-CB 4.47Å; F340-I374 HydrophobicContact CD2-CG1 4.29Å; F340-I374 HydrophobicContact CD2-CG2 3.97Å; F340-I374 HydrophobicContact CE2-CG2 4.37Å; F340-I374 HydrophobicContact CG-CG1 4.33Å; F340-I374 HydrophobicContact CG-CG2 4.41Å; M371-I374 HydrophobicContact CE-CD1 3.94Å; M371-I374 WeakPolarHBondContact O-CB 3.43Å; M371-I374 PolarHBondContact O-N 2.95Å; M371-I374 VanDerWaalsContact O-N 3.13Å; M371-I374 HydrophobicContact SD-CD1 3.72Å; T372-I374 VanDerWaalsContact C-N 3.31Å; I374-K376 PolarHBondContact O-N 3.42Å; I374-L378 HydrophobicContact CG2-CB 3.9Å; I374-Q379 HydrophobicContact CB-CG 3.98Å; I374-Q379 HydrophobicContact CG2-CG 4.12Å; I374-Q379 PolarHBondContact O-NE2 3.28Å; I374-V382 HydrophobicContact CD1-CB 4.37Å; I374-V382 HydrophobicContact CD1-CG1 4.2Å; I374-V382 HydrophobicContact CD1-CG2 4.15Å; I374-V382 HydrophobicContact CG2-CG2 4.46Å
375P96.5Very high94.3Very high18 Ų1851.5 Ų51.512%0.11727%0.274CS..  trans-48.8135.9173.1-2834.4000111.3C240 F340 E377 L378 Q379 Y406C240-P375 HydrophobicContact CB-CG 4.02Å; F340-P375 VanDerWaalsContact CD1-CD 3.45Å; F340-P375 HydrophobicContact CD1-CG 4.14Å; F340-P375 VanDerWaalsContact CE1-CD 3.45Å; F340-P375 HydrophobicContact CE1-CG 3.69Å; F340-P375 HydrophobicContact CZ-CG 4.15Å; P375-E377 PolarHBondContact O-N 3.46Å; P375-E377 VanDerWaalsContact O-N 3.07Å; P375-L378 HydrophobicContact CB-CD1 4.44Å; P375-L378 HydrophobicContact CB-CG 4.44Å; P375-L378 HydrophobicContact CG-CD1 4.32Å; P375-L378 WeakPolarHBondContact O-CA 3.36Å; P375-L378 PolarHBondContact O-N 2.94Å; P375-Q379 PolarHBondContact O-N 2.94Å; P375-Y406 HydrophobicContact CB-CE2 3.79Å; P375-Y406 HydrophobicContact CG-CE2 4.09Å; P375-Y406 VanDerWaalsContact CG-OH 3.28Å; P375-Y406 WeakPolarHBondContact CG-OH 3.48Å
376K95Very high94.7Very high173 Ų17349.5 Ų49.575%0.75225%0.253SS*.Hα-helixtrans-54.2-35.9-172.3-173178.9179.6-178.80112.4I374 L378 Q379I374-K376 PolarHBondContact O-N 3.42Å; K376-L378 PolarHBondContact O-N 3.16Å; K376-Q379 PolarHBondContact O-N 2.9Å
377E94Very high95Very high113 Ų11350.7 Ų50.753%0.52826%0.257SS..Hα-helixtrans-68.7-17.5178.7-55.890.3155.600113.9P375P375-E377 PolarHBondContact O-N 3.46Å; P375-E377 VanDerWaalsContact O-N 3.07Å
378L97.4Very high95.2Very high0 Ų052.2 Ų52.20%027%0.267CS..Hα-helixtrans-108.7-9-179.1-62-177.7000113.1F340 I374 P375 K376 L381 V382 I402 L403 Y406F340-L378 HydrophobicContact CE2-CD1 3.85Å; F340-L378 HydrophobicContact CZ-CD1 3.55Å; I374-L378 HydrophobicContact CG2-CB 3.9Å; P375-L378 HydrophobicContact CB-CD1 4.44Å; P375-L378 HydrophobicContact CB-CG 4.44Å; P375-L378 HydrophobicContact CG-CD1 4.32Å; P375-L378 WeakPolarHBondContact O-CA 3.36Å; P375-L378 PolarHBondContact O-N 2.94Å; K376-L378 PolarHBondContact O-N 3.16Å; L378-L381 HydrophobicContact CD2-CD2 4.13Å; L378-L381 WeakPolarHBondContact O-CB 3.24Å; L378-L381 PolarHBondContact O-N 3.42Å; L378-V382 PolarHBondContact O-N 3.43Å; L378-I402 HydrophobicContact CD2-CG2 4.04Å; L378-L403 HydrophobicContact CD1-CD2 4.11Å; L378-L403 HydrophobicContact CD2-CD2 4.23Å; L378-Y406 HydrophobicContact CD1-CD1 3.84Å; L378-Y406 HydrophobicContact CD1-CD2 4.09Å; L378-Y406 HydrophobicContact CD1-CE1 3.95Å; L378-Y406 HydrophobicContact CD1-CE2 4.2Å; L378-Y406 HydrophobicContact CD1-CG 3.92Å; L378-Y406 HydrophobicContact CD2-CD2 4.35Å; L378-Y406 HydrophobicContact CD2-CG 4.12Å; L378-Y406 HydrophobicContact CG-CD2 4.06Å; L378-Y406 HydrophobicContact CG-CE2 4.42Å; L378-Y406 HydrophobicContact CG-CG 4.16Å
379Q96.7Very high95.3Very high58 Ų5854.7 Ų54.727%0.27128%0.28SS..Hα-helixtrans-60.8-48.6179.6-73.3177.219.600111.5M371 I374 P375 K376 L381 V382 D383M371-Q379 PolarHBondContact O-NE2 3.4Å; I374-Q379 HydrophobicContact CB-CG 3.98Å; I374-Q379 HydrophobicContact CG2-CG 4.12Å; I374-Q379 PolarHBondContact O-NE2 3.28Å; P375-Q379 PolarHBondContact O-N 2.94Å; K376-Q379 PolarHBondContact O-N 2.9Å; Q379-L381 VanDerWaalsContact C-N 3.3Å; Q379-L381 PolarHBondContact O-N 3.18Å; Q379-V382 PolarHBondContact O-N 2.99Å; Q379-D383 PolarHBondContact O-N 3.35Å
380E95.8Very high95.5Very high140 Ų14053.3 Ų53.365%0.65427%0.272SS*.Hα-helixtrans-60.5-39.6177.2-175.8173.9-158.900111.7V382 D383 E384E380-V382 PolarHBondContact O-N 2.95Å; E380-D383 PolarHBondContact O-N 3.26Å; E380-E384 WeakPolarHBondContact O-CG 3.41Å; E380-E384 PolarHBondContact O-N 3.03Å
381L97.7Very high95.6Very high5 Ų560.6 Ų60.63%0.02630%0.3CS..Hα-helixtrans-60.9-45.1176.5177.562000112M336 L378 Q379 D383 E384 I385 T394 V399 I402 L403M336-L381 HydrophobicContact CE-CD2 4.13Å; L378-L381 HydrophobicContact CD2-CD2 4.13Å; L378-L381 WeakPolarHBondContact O-CB 3.24Å; L378-L381 PolarHBondContact O-N 3.42Å; Q379-L381 VanDerWaalsContact C-N 3.3Å; Q379-L381 PolarHBondContact O-N 3.18Å; L381-D383 VanDerWaalsContact C-N 3.33Å; L381-E384 PolarHBondContact O-N 3.47Å; L381-I385 HydrophobicContact CD1-CD1 4.04Å; L381-I385 HydrophobicContact CD1-CG1 4.3Å; L381-I385 HydrophobicContact CG-CD1 3.89Å; L381-I385 WeakPolarHBondContact O-CD1 3.49Å; L381-I385 WeakPolarHBondContact O-CG1 3.42Å; L381-I385 PolarHBondContact O-N 3.07Å; L381-T394 HydrophobicContact CD1-CG2 3.99Å; L381-V399 HydrophobicContact CD1-CB 4.48Å; L381-V399 HydrophobicContact CD1-CG2 4.08Å; L381-V399 HydrophobicContact CD2-CG1 4.23Å; L381-I402 HydrophobicContact CD1-CD1 3.78Å; L381-I402 HydrophobicContact CD2-CB 4.05Å; L381-I402 HydrophobicContact CD2-CG2 3.76Å; L381-L403 HydrophobicContact CD2-CG 4.47Å
382V97.5Very high95.9Very high0 Ų065.4 Ų65.40%032%0.32CS..Hα-helixtrans-64.5-40.2177.8173.10000110.7M336 M371 I374 L378 Q379 E380 I385 L386M336-V382 HydrophobicContact CB-CG2 3.98Å; M336-V382 HydrophobicContact CE-CG2 3.73Å; M336-V382 HydrophobicContact SD-CG2 4.1Å; M371-V382 HydrophobicContact CE-CB 4.05Å; M371-V382 HydrophobicContact CE-CG1 3.89Å; M371-V382 HydrophobicContact SD-CG1 4.4Å; I374-V382 HydrophobicContact CD1-CB 4.37Å; I374-V382 HydrophobicContact CD1-CG1 4.2Å; I374-V382 HydrophobicContact CD1-CG2 4.15Å; I374-V382 HydrophobicContact CG2-CG2 4.46Å; L378-V382 PolarHBondContact O-N 3.43Å; Q379-V382 PolarHBondContact O-N 2.99Å; E380-V382 PolarHBondContact O-N 2.95Å; V382-I385 PolarHBondContact O-N 3.44Å; V382-L386 HydrophobicContact CG1-CD1 3.82Å; V382-L386 HydrophobicContact CG1-CG 4.39Å; V382-L386 WeakPolarHBondContact O-CB 3.22Å; V382-L386 WeakPolarHBondContact O-CG 3.49Å; V382-L386 PolarHBondContact O-N 2.96Å
383D94.8Very high96.2Very high73 Ų7360.6 Ų60.639%0.3929%0.289SS..Hα-helixtrans-63.1-42175.7-80-27.8000112.8Q379 E380 L381 L386Q379-D383 PolarHBondContact O-N 3.35Å; E380-D383 PolarHBondContact O-N 3.26Å; L381-D383 VanDerWaalsContact C-N 3.33Å; D383-L386 PolarHBondContact O-N 3.07Å
384E96.4Very high96.4Very high61 Ų6157 Ų5729%0.28527%0.27SS..Hα-helixtrans-65.1-40.8175.4-72.7-175.4159.600112.1E380 L381 L386 N387 R393 T394 K398E380-E384 WeakPolarHBondContact O-CG 3.41Å; E380-E384 PolarHBondContact O-N 3.03Å; L381-E384 PolarHBondContact O-N 3.47Å; E384-L386 VanDerWaalsContact C-N 3.34Å; E384-N387 WeakPolarHBondContact O-CB 3.47Å; E384-N387 PolarHBondContact O-N 2.9Å; E384-R393 WeakPolarHBondContact O-CA 3.49Å; E384-T394 WeakPolarHBondContact CB-OG1 3.49Å; E384-T394 PolarHBondContact OE2-OG1 3.42Å; E384-K398 IonicContact OE1-NZ 2.94Å; E384-K398 IonicContact OE2-NZ 2.73Å; E384-K398 PolarHBondContact OE2-NZ 3.2Å
385I97.9Very high96.4Very high0 Ų060.6 Ų60.60%029%0.293CS..Hα-helixtrans-64.7-40.1177.1-70.2165.2000110.9V329 F332 G333 M336 L381 V382 N387 R393 V399V329-I385 HydrophobicContact CG1-CG2 4.03Å; V329-I385 WeakPolarHBondContact O-CG2 3.46Å; F332-I385 HydrophobicContact CD1-CD1 4.41Å; G333-I385 VanDerWaalsContact CA-CG2 3.48Å; M336-I385 HydrophobicContact SD-CD1 3.68Å; L381-I385 HydrophobicContact CD1-CD1 4.04Å; L381-I385 HydrophobicContact CD1-CG1 4.3Å; L381-I385 HydrophobicContact CG-CD1 3.89Å; L381-I385 WeakPolarHBondContact O-CD1 3.49Å; L381-I385 WeakPolarHBondContact O-CG1 3.42Å; L381-I385 PolarHBondContact O-N 3.07Å; V382-I385 PolarHBondContact O-N 3.44Å; I385-N387 PolarHBondContact O-N 3.01Å; I385-R393 WeakPolarHBondContact O-CD 3.28Å; I385-R393 VanDerWaalsContact O-CG 3.24Å; I385-R393 WeakPolarHBondContact O-CG 3.38Å; I385-V399 HydrophobicContact CD1-CB 4.45Å; I385-V399 HydrophobicContact CD1-CG1 3.82Å; I385-V399 HydrophobicContact CD1-CG2 3.7Å; I385-V399 HydrophobicContact CG1-CG2 3.82Å
386L97.1Very high96.5Very high1 Ų160 Ų601%0.00529%0.29CS..THydrogen-bonded Turntrans-83.723.3-178.3-63.9179.3000113.1W330 I334 R367 V382 D383 E384 I388W330-L386 HydrophobicContact CD2-CD2 3.98Å; W330-L386 HydrophobicContact CE3-CD2 4.24Å; W330-L386 HydrophobicContact CG-CD2 4.36Å; W330-L386 HydrophobicContact CZ2-CD2 4.44Å; W330-L386 HydrophobicContact CZ3-CB 4.44Å; W330-L386 WeakPolarHBondContact CZ3-O 3.24Å; I334-L386 HydrophobicContact CD1-CD1 4.04Å; I334-L386 HydrophobicContact CD1-CD2 3.62Å; I334-L386 HydrophobicContact CG1-CD2 3.91Å; R367-L386 VanDerWaalsContact NE-CB 3.28Å; R367-L386 PolarHBondContact NE-O 3.29Å; R367-L386 PolarHBondContact NH2-O 3.35Å; V382-L386 HydrophobicContact CG1-CD1 3.82Å; V382-L386 HydrophobicContact CG1-CG 4.39Å; V382-L386 WeakPolarHBondContact O-CB 3.22Å; V382-L386 WeakPolarHBondContact O-CG 3.49Å; V382-L386 PolarHBondContact O-N 2.96Å; D383-L386 PolarHBondContact O-N 3.07Å; E384-L386 VanDerWaalsContact C-N 3.34Å; L386-I388 PolarHBondContact O-N 3.13Å
387N95.9Very high96.7Very high46 Ų4654.9 Ų54.925%0.24628%0.275CS..  trans-62.7134.3171.9-158.8-56.6000111E384 I385 D389 K392 R393E384-N387 WeakPolarHBondContact O-CB 3.47Å; E384-N387 PolarHBondContact O-N 2.9Å; I385-N387 PolarHBondContact O-N 3.01Å; N387-D389 PolarHBondContact O-N 3.29Å; N387-D389 PolarHBondContact OD1-N 3.35Å; N387-K392 HydrophobicContact CB-CB 4.25Å; N387-R393 HydrophobicContact CB-CG 4.11Å; N387-R393 PolarHBondContact O-NE 3.29Å
388I94.8Very high96.9Very high75 Ų7553.9 Ų53.939%0.38527%0.269SS..SBendtrans-62.7-34.4-179.7-157.185.8000111.6P315 L362 L386 P390P315-I388 HydrophobicContact CB-CD1 3.79Å; P315-I388 HydrophobicContact CB-CG1 4.41Å; P315-I388 HydrophobicContact CG-CD1 3.35Å; P315-I388 HydrophobicContact CG-CG1 4.17Å; L362-I388 HydrophobicContact CB-CD1 4.2Å; L386-I388 PolarHBondContact O-N 3.13Å; I388-P390 WeakPolarHBondContact O-CD 3.5Å
389D94.7Very high96.9Very high52 Ų5253.9 Ų53.928%0.27827%0.269SS..SBendtrans-82.9113.5175-179.4-7.8000109N387 K391 K392 R393N387-D389 PolarHBondContact O-N 3.29Å; N387-D389 PolarHBondContact OD1-N 3.35Å; D389-K391 PolarHBondContact O-N 3.38Å; D389-K391 VanDerWaalsContact O-N 3.07Å; D389-K391 WeakPolarHBondContact OD1-CB 3.38Å; D389-K391 PolarHBondContact OD1-N 3.09Å; D389-K392 HydrophobicContact CB-CB 4.16Å; D389-K392 HydrophobicContact CB-CD 3.97Å; D389-K392 HydrophobicContact CB-CG 4.01Å; D389-K392 PolarHBondContact O-N 3.48Å; D389-K392 VanDerWaalsContact OD2-CE 3.3Å; D389-K392 WeakPolarHBondContact OD2-CE 3.43Å; D389-R393 PolarHBondContact O-N 2.86Å
390P96.3Very high97Very high30 Ų3051.4 Ų51.420%0.19526%0.258CS..G310 helixtrans-54.8-31.1-179.4-23.333.2000113.4E316 E326 I388 K392 R393E316-P390 HydrophobicContact CG-CG 4.32Å; E316-P390 WeakPolarHBondContact OE1-CG 3.4Å; E326-P390 HydrophobicContact CB-CB 3.91Å; E326-P390 HydrophobicContact CG-CB 4.49Å; I388-P390 WeakPolarHBondContact O-CD 3.5Å; P390-K392 VanDerWaalsContact C-N 3.28Å; P390-K392 PolarHBondContact O-N 3Å; P390-R393 PolarHBondContact O-N 3.42Å
391K95.9Very high97.1Very high193 Ų19349.2 Ų49.284%0.83925%0.251SS*.G310 helixtrans-74.5-18.2-179.2-62.1-179.5178.4179.60113.3D389D389-K391 PolarHBondContact O-N 3.38Å; D389-K391 VanDerWaalsContact O-N 3.07Å; D389-K391 WeakPolarHBondContact OD1-CB 3.38Å; D389-K391 PolarHBondContact OD1-N 3.09Å
392K96.8Very high97.2Very high137 Ų13751.3 Ų51.360%0.59626%0.262SS*.G310 helixtrans-97.3-4.2178.2-65-177.7-173.51750112.9N387 D389 P390N387-K392 HydrophobicContact CB-CB 4.25Å; D389-K392 HydrophobicContact CB-CB 4.16Å; D389-K392 HydrophobicContact CB-CD 3.97Å; D389-K392 HydrophobicContact CB-CG 4.01Å; D389-K392 PolarHBondContact O-N 3.48Å; D389-K392 VanDerWaalsContact OD2-CE 3.3Å; D389-K392 WeakPolarHBondContact OD2-CE 3.43Å; P390-K392 VanDerWaalsContact C-N 3.28Å; P390-K392 PolarHBondContact O-N 3Å
393R97.8Very high97.2Very high12 Ų1251.3 Ų51.35%0.04526%0.262CS..SBendtrans-66.7140.7175.6-60.1-178.7-173.9145.68.4109.8E316 E326 V329 E384 I385 N387 D389 P390 P395E316-R393 VanDerWaalsContact CD-NH2 3.32Å; E316-R393 IonicContact OE1-CZ 3.06Å; E316-R393 IonicContact OE1-NH1 2.69Å; E316-R393 PolarHBondContact OE1-NH1 2.9Å; E316-R393 IonicContact OE1-NH2 2.61Å; E316-R393 PolarHBondContact OE1-NH2 3.3Å; E316-R393 IonicContact OE2-CZ 2.68Å; E316-R393 IonicContact OE2-NH1 3.73Å; E316-R393 IonicContact OE2-NH2 3.64Å; E316-R393 PolarHBondContact OE2-NH2 2.84Å; E326-R393 VanDerWaalsContact C-NH1 3.3Å; E326-R393 PolarHBondContact O-NH1 3.01Å; V329-R393 HydrophobicContact CG1-CB 4.46Å; E384-R393 WeakPolarHBondContact O-CA 3.49Å; I385-R393 WeakPolarHBondContact O-CD 3.28Å; I385-R393 VanDerWaalsContact O-CG 3.24Å; I385-R393 WeakPolarHBondContact O-CG 3.38Å; N387-R393 HydrophobicContact CB-CG 4.11Å; N387-R393 PolarHBondContact O-NE 3.29Å; D389-R393 PolarHBondContact O-N 2.86Å; P390-R393 PolarHBondContact O-N 3.42Å; R393-P395 WeakPolarHBondContact O-CD 2.96Å
394T98.1Very high97.3Very high8 Ų851.3 Ų51.35%0.04926%0.259CS..PPolyproline II helixtrans-61.4125175.8-76.90000110.4L381 E384 K398 V399L381-T394 HydrophobicContact CD1-CG2 3.99Å; E384-T394 WeakPolarHBondContact CB-OG1 3.49Å; E384-T394 PolarHBondContact OE2-OG1 3.42Å; T394-K398 HydrophobicContact CG2-CB 3.86Å; T394-K398 HydrophobicContact CG2-CD 3.8Å; T394-K398 HydrophobicContact CG2-CG 3.78Å; T394-V399 HydrophobicContact CG2-CG2 3.75Å
395P97.8Very high97.4Very high77 Ų7752 Ų5250%0.527%0.268SS..PPolyproline II helixtrans-59.3140.2-179.2-25.634.2000111.8R393 S397 K398 V399R393-P395 WeakPolarHBondContact O-CD 2.96Å; P395-S397 PolarHBondContact O-N 3.02Å; P395-K398 WeakPolarHBondContact O-CB 3.28Å; P395-K398 PolarHBondContact O-N 3.48Å; P395-V399 WeakPolarHBondContact O-CG2 3.34Å; P395-V399 PolarHBondContact O-N 3.39Å; P395-V399 VanDerWaalsContact O-N 3.07Å
396I98.4Very high97.3Very high7 Ų753.1 Ų53.14%0.03627%0.273CS..Hα-helixtrans-57-26.2-174.6-165.163.8000114.2A251 L254 I255 F325 V329 F332 V399 A400A251-I396 HydrophobicContact CB-CD1 4.02Å; A251-I396 HydrophobicContact CB-CG1 4.38Å; L254-I396 HydrophobicContact CB-CD1 4.24Å; L254-I396 HydrophobicContact CB-CG1 3.78Å; L254-I396 HydrophobicContact CD1-CD1 3.81Å; L254-I396 HydrophobicContact CD1-CG1 4.27Å; I255-I396 HydrophobicContact CG1-CG1 4.33Å; I255-I396 HydrophobicContact CG1-CG2 3.72Å; F325-I396 HydrophobicContact CE1-CB 4.23Å; F325-I396 HydrophobicContact CE1-CG2 3.66Å; F325-I396 HydrophobicContact CZ-CG2 4.06Å; V329-I396 HydrophobicContact CG2-CB 4.21Å; F332-I396 HydrophobicContact CD1-CD1 3.94Å; F332-I396 HydrophobicContact CE1-CD1 4.28Å; F332-I396 HydrophobicContact CG-CD1 4.38Å; I396-V399 HydrophobicContact CD1-CB 4.16Å; I396-V399 HydrophobicContact CD1-CG1 4.26Å; I396-V399 HydrophobicContact CD1-CG2 4.43Å; I396-V399 WeakPolarHBondContact O-CB 3.36Å; I396-V399 PolarHBondContact O-N 3.5Å; I396-A400 PolarHBondContact O-N 2.83Å
397S98.3Very high97.2Very high64 Ų6453.7 Ų53.745%0.44828%0.277SS..Hα-helixtrans-63.4-49.3171.951.70000112P395 V399 A400 D401P395-S397 PolarHBondContact O-N 3.02Å; S397-V399 VanDerWaalsContact C-N 3.29Å; S397-V399 PolarHBondContact O-N 3.29Å; S397-A400 WeakPolarHBondContact O-CB 3.35Å; S397-A400 PolarHBondContact O-N 2.88Å; S397-A400 VanDerWaalsContact O-N 3.16Å; S397-D401 VanDerWaalsContact O-CG 3.31Å; S397-D401 PolarHBondContact O-N 3.38Å
398K98.4Very high97Very high93 Ų9357.8 Ų57.840%0.40429%0.294SS..Hα-helixtrans-63.7-36.8175.7178.7175.8168.7-145.90111.1E384 T394 P395 D401 I402E384-K398 IonicContact OE1-NZ 2.94Å; E384-K398 IonicContact OE2-NZ 2.73Å; E384-K398 PolarHBondContact OE2-NZ 3.2Å; T394-K398 HydrophobicContact CG2-CB 3.86Å; T394-K398 HydrophobicContact CG2-CD 3.8Å; T394-K398 HydrophobicContact CG2-CG 3.78Å; P395-K398 WeakPolarHBondContact O-CB 3.28Å; P395-K398 PolarHBondContact O-N 3.48Å; K398-D401 PolarHBondContact O-N 2.63Å; K398-I402 HydrophobicContact CG-CD1 3.94Å; K398-I402 VanDerWaalsContact O-CG1 3.32Å; K398-I402 WeakPolarHBondContact O-CG1 3.3Å; K398-I402 PolarHBondContact O-N 3.37Å
399V98.5Very high96.7Very high0 Ų059.2 Ų59.20%030%0.298CS..Hα-helixtrans-59.1-46.5173.11800000111.2F332 L381 I385 T394 P395 I396 S397 I402 L403F332-V399 HydrophobicContact CD1-CG1 4.13Å; F332-V399 HydrophobicContact CE1-CG1 3.5Å; F332-V399 VanDerWaalsContact CE1-CG1 3.5Å; F332-V399 HydrophobicContact CZ-CG1 4.47Å; L381-V399 HydrophobicContact CD1-CB 4.48Å; L381-V399 HydrophobicContact CD1-CG2 4.08Å; L381-V399 HydrophobicContact CD2-CG1 4.23Å; I385-V399 HydrophobicContact CD1-CB 4.45Å; I385-V399 HydrophobicContact CD1-CG1 3.82Å; I385-V399 HydrophobicContact CD1-CG2 3.7Å; I385-V399 HydrophobicContact CG1-CG2 3.82Å; T394-V399 HydrophobicContact CG2-CG2 3.75Å; P395-V399 WeakPolarHBondContact O-CG2 3.34Å; P395-V399 PolarHBondContact O-N 3.39Å; P395-V399 VanDerWaalsContact O-N 3.07Å; I396-V399 HydrophobicContact CD1-CB 4.16Å; I396-V399 HydrophobicContact CD1-CG1 4.26Å; I396-V399 HydrophobicContact CD1-CG2 4.43Å; I396-V399 WeakPolarHBondContact O-CB 3.36Å; I396-V399 PolarHBondContact O-N 3.5Å; S397-V399 VanDerWaalsContact C-N 3.29Å; S397-V399 PolarHBondContact O-N 3.29Å; V399-I402 PolarHBondContact O-N 3.46Å; V399-L403 HydrophobicContact CG1-CD1 4Å; V399-L403 WeakPolarHBondContact O-CB 3.32Å; V399-L403 WeakPolarHBondContact O-CG 3.48Å; V399-L403 PolarHBondContact O-N 3.41Å
400A98.5Very high95.6Very high5 Ų562.4 Ų62.44%0.04132%0.319CS..Hα-helixtrans-62.7-42.4177.700000112.1W248 A251 I255 I396 S397 I402 L403 Q404W248-A400 VanDerWaalsContact CD1-O 3.24Å; A251-A400 HydrophobicContact CB-CB 3.91Å; I255-A400 HydrophobicContact CD1-CB 3.83Å; I396-A400 PolarHBondContact O-N 2.83Å; S397-A400 WeakPolarHBondContact O-CB 3.35Å; S397-A400 PolarHBondContact O-N 2.88Å; S397-A400 VanDerWaalsContact O-N 3.16Å; A400-I402 PolarHBondContact O-N 3.05Å; A400-L403 PolarHBondContact O-N 3.37Å; A400-Q404 WeakPolarHBondContact O-CB 3.42Å; A400-Q404 PolarHBondContact O-N 3.03Å
401D98.3Very high94.3Very high94 Ų9467.4 Ų67.450%0.50334%0.344SS..Hα-helixtrans-62.7-41.6178.5-63.1-24.7000112.1S397 K398 Q404 T405S397-D401 VanDerWaalsContact O-CG 3.31Å; S397-D401 PolarHBondContact O-N 3.38Å; K398-D401 PolarHBondContact O-N 2.63Å; D401-Q404 PolarHBondContact O-N 3.16Å; D401-T405 WeakPolarHBondContact O-CB 3.47Å; D401-T405 PolarHBondContact O-N 2.88Å; D401-T405 PolarHBondContact O-OG1 3.47Å
402I98.2Very high91.8Very high50 Ų5068 Ų6826%0.25636%0.364SS..Hα-helixtrans-67.6-44177.5-66.2165.6000110.6L378 L381 K398 V399 A400 Q404 T405 Y406L378-I402 HydrophobicContact CD2-CG2 4.04Å; L381-I402 HydrophobicContact CD1-CD1 3.78Å; L381-I402 HydrophobicContact CD2-CB 4.05Å; L381-I402 HydrophobicContact CD2-CG2 3.76Å; K398-I402 HydrophobicContact CG-CD1 3.94Å; K398-I402 VanDerWaalsContact O-CG1 3.32Å; K398-I402 WeakPolarHBondContact O-CG1 3.3Å; K398-I402 PolarHBondContact O-N 3.37Å; V399-I402 PolarHBondContact O-N 3.46Å; A400-I402 PolarHBondContact O-N 3.05Å; I402-Q404 VanDerWaalsContact C-N 3.33Å; I402-Q404 PolarHBondContact O-N 3.33Å; I402-T405 PolarHBondContact O-N 2.99Å; I402-Y406 WeakPolarHBondContact O-CB 3.44Å; I402-Y406 PolarHBondContact O-N 3.33Å
403L98.2Very high91.6Very high0 Ų064.6 Ų64.60%035%0.353CS..Hα-helixtrans-63.8-39176.7-76.5169.8000112.1L247 W248 A251 F332 M336 L378 L381 V399 A400 Y406 C407L247-L403 HydrophobicContact CB-CD1 4.12Å; L247-L403 HydrophobicContact CB-CD2 4.41Å; W248-L403 HydrophobicContact CB-CB 3.98Å; W248-L403 HydrophobicContact CG-CB 4.49Å; A251-L403 HydrophobicContact CB-CD1 4.31Å; F332-L403 HydrophobicContact CE1-CD1 4.2Å; F332-L403 HydrophobicContact CZ-CD1 3.93Å; M336-L403 HydrophobicContact CE-CD2 4.03Å; L378-L403 HydrophobicContact CD1-CD2 4.11Å; L378-L403 HydrophobicContact CD2-CD2 4.23Å; L381-L403 HydrophobicContact CD2-CG 4.47Å; V399-L403 HydrophobicContact CG1-CD1 4Å; V399-L403 WeakPolarHBondContact O-CB 3.32Å; V399-L403 WeakPolarHBondContact O-CG 3.48Å; V399-L403 PolarHBondContact O-N 3.41Å; A400-L403 PolarHBondContact O-N 3.37Å; L403-Y406 PolarHBondContact O-N 3.21Å; L403-C407 WeakPolarHBondContact O-CB 3.47Å; L403-C407 PolarHBondContact O-N 3.29Å; L403-C407 PolarHBondContact O-SG 3.06Å
404Q97.5Very high91.2Very high72 Ų7267.4 Ų67.434%0.33637%0.369SS..Hα-helixtrans-59.7-51.8173.8-174.8176.1-6.200110.7W248 A400 D401 I402 Y406 C407 E408W248-Q404 HydrophobicContact CZ2-CG 4.35Å; A400-Q404 WeakPolarHBondContact O-CB 3.42Å; A400-Q404 PolarHBondContact O-N 3.03Å; D401-Q404 PolarHBondContact O-N 3.16Å; I402-Q404 VanDerWaalsContact C-N 3.33Å; I402-Q404 PolarHBondContact O-N 3.33Å; Q404-Y406 VanDerWaalsContact C-N 3.29Å; Q404-Y406 PolarHBondContact O-N 2.88Å; Q404-C407 WeakPolarHBondContact O-CB 3.48Å; Q404-C407 PolarHBondContact O-N 3.36Å; Q404-E408 VanDerWaalsContact CG-OE1 3.31Å; Q404-E408 WeakPolarHBondContact CG-OE1 3.48Å; Q404-E408 PolarHBondContact NE2-OE1 2.86Å; Q404-E408 WeakPolarHBondContact O-CG 3.43Å; Q404-E408 PolarHBondContact O-N 2.83Å
405T97.1Very high90.9Very high77 Ų7770.7 Ų70.747%0.47239%0.387SS..Hα-helixtrans-57.7-43.1178.6-57.40000111.1D401 I402 C407 E408 K409D401-T405 WeakPolarHBondContact O-CB 3.47Å; D401-T405 PolarHBondContact O-N 2.88Å; D401-T405 PolarHBondContact O-OG1 3.47Å; I402-T405 PolarHBondContact O-N 2.99Å; T405-C407 VanDerWaalsContact C-N 3.32Å; T405-C407 PolarHBondContact O-N 3.32Å; T405-E408 PolarHBondContact O-N 3.47Å; T405-K409 WeakPolarHBondContact O-CG 3.5Å; T405-K409 PolarHBondContact O-N 3.07Å
406Y96.4Very high90.4Very high23 Ų2370.3 Ų70.39%0.0938%0.38CS..Hα-helixtrans-58.7-41.7174.9170.8-100.6000112.4C240 P375 L378 I402 L403 Q404C240-Y406 VanDerWaalsContact CB-OH 3.28Å; C240-Y406 WeakPolarHBondContact CB-OH 3.31Å; P375-Y406 HydrophobicContact CB-CE2 3.79Å; P375-Y406 HydrophobicContact CG-CE2 4.09Å; P375-Y406 VanDerWaalsContact CG-OH 3.28Å; P375-Y406 WeakPolarHBondContact CG-OH 3.48Å; L378-Y406 HydrophobicContact CD1-CD1 3.84Å; L378-Y406 HydrophobicContact CD1-CD2 4.09Å; L378-Y406 HydrophobicContact CD1-CE1 3.95Å; L378-Y406 HydrophobicContact CD1-CE2 4.2Å; L378-Y406 HydrophobicContact CD1-CG 3.92Å; L378-Y406 HydrophobicContact CD2-CD2 4.35Å; L378-Y406 HydrophobicContact CD2-CG 4.12Å; L378-Y406 HydrophobicContact CG-CD2 4.06Å; L378-Y406 HydrophobicContact CG-CE2 4.42Å; L378-Y406 HydrophobicContact CG-CG 4.16Å; I402-Y406 WeakPolarHBondContact O-CB 3.44Å; I402-Y406 PolarHBondContact O-N 3.33Å; L403-Y406 PolarHBondContact O-N 3.21Å; Q404-Y406 VanDerWaalsContact C-N 3.29Å; Q404-Y406 PolarHBondContact O-N 2.88Å
407C94.4Very high89.9Confident13 Ų1374.3 Ų74.39%0.08840%0.402CS..Hα-helixtrans-74-23.7-178.2-67.10000114.3R245 L403 Q404 T405R245-C407 HydrophobicContact CG-CB 3.89Å; R245-C407 VanDerWaalsContact CG-SG 3.55Å; R245-C407 PolarHBondContact N-SG 3.49Å; L403-C407 WeakPolarHBondContact O-CB 3.47Å; L403-C407 PolarHBondContact O-N 3.29Å; L403-C407 PolarHBondContact O-SG 3.06Å; Q404-C407 WeakPolarHBondContact O-CB 3.48Å; Q404-C407 PolarHBondContact O-N 3.36Å; T405-C407 VanDerWaalsContact C-N 3.32Å; T405-C407 PolarHBondContact O-N 3.32Å
408E92.9Very high89.4Confident132 Ų13274.9 Ų74.962%0.61740%0.399SS*.Hα-helixtrans-87.5-20.2-179.4-72174.5-177.900113.2Q404 T405 T410Q404-E408 VanDerWaalsContact CG-OE1 3.31Å; Q404-E408 WeakPolarHBondContact CG-OE1 3.48Å; Q404-E408 PolarHBondContact NE2-OE1 2.86Å; Q404-E408 WeakPolarHBondContact O-CG 3.43Å; Q404-E408 PolarHBondContact O-N 2.83Å; T405-E408 PolarHBondContact O-N 3.47Å; E408-T410 PolarHBondContact O-N 2.9Å
409K87.4Confident88.7Confident105 Ų10573.6 Ų73.646%0.45740%0.398SS..SBendtrans-58.4128.6174.6-74.9177.5-177.3-177.30110.5K241 T405K241-K409 WeakPolarHBondContact CE-O 3.17Å; K241-K409 PolarHBondContact NZ-O 3.31Å; T405-K409 WeakPolarHBondContact O-CG 3.5Å; T405-K409 PolarHBondContact O-N 3.07Å
410T72.8Confident88Confident119 Ų11979.3 Ų79.373%0.7343%0.429SS*.  trans-64.6143.7167.642.50000109.8E408 T412E408-T410 PolarHBondContact O-N 2.9Å; T410-T412 PolarHBondContact O-N 2.71Å; T410-T412 VanDerWaalsContact O-N 3.13Å
411D67.9Low87.1Confident135 Ų13585.5 Ų85.572%0.72246%0.461SS*.  trans-63.7115.6168.3-64.8-55.7000106.4K241K241-D411 WeakPolarHBondContact CE-OD1 3.43Å; K241-D411 IonicContact NZ-OD1 3.93Å; K241-D411 PolarHBondContact NZ-OD1 3.13Å; K241-D411 IonicContact NZ-OD2 3.46Å; K241-D411 PolarHBondContact NZ-OD2 2.73Å
412T44.6Very low86.1Confident206 Ų20684.7 Ų84.7100%1.26446%0.457SS*.  trans-73.30174.948.20000111.3T410T410-T412 PolarHBondContact O-N 2.71Å; T410-T412 VanDerWaalsContact O-N 3.13Å

Retrieved 412 of 412 residues in 181.5 ms (Link to these results)

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