A0A5K4F243_SCHMA Loading...

Ectonucleoside triphosphate diphosphohydrolase 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F243, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 553 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
1M53.2Low73.2Confident169 Ų169101.4 Ų101.483%0.83350%0.5SS*.  0133.70-98.215867.600108.7F6M1-F6 HydrophobicContact CE-CB 4.12Å; M1-F6 HydrophobicContact CE-CD2 4.31Å
2S76.3Confident73.8Confident71 Ų71100.6 Ų100.650%0.49750%0.498SS..  trans-60.5141.7167.1160.30000108.8H4 T5 F6S2-H4 PolarHBondContact O-N 3.4Å; S2-H4 VanDerWaalsContact O-N 3.14Å; S2-H4 PolarHBondContact OG-N 3.27Å; S2-T5 PolarHBondContact N-OG1 3.42Å; S2-T5 WeakPolarHBondContact O-CA 3.42Å; S2-T5 WeakPolarHBondContact O-CB 3.44Å; S2-T5 PolarHBondContact O-N 3.49Å; S2-T5 PolarHBondContact O-OG1 3.31Å; S2-F6 PolarHBondContact O-N 3.32Å
3W69.4Low74.2Confident172 Ų172100.2 Ų100.265%0.65250%0.504SS*.Hα-helixtrans-56.2-32177.5-79.394.1000112.1T5 F6 F7W3-T5 PolarHBondContact O-N 3.48Å; W3-F6 PolarHBondContact O-N 3.41Å; W3-F7 AromaticContact CE3-CE2 4Å; W3-F7 HydrophobicContact CE3-CE2 4Å; W3-F7 VanDerWaalsContact O-CD2 3.3Å; W3-F7 WeakPolarHBondContact O-CD2 3.5Å; W3-F7 PolarHBondContact O-N 3.07Å; W3-F7 VanDerWaalsContact O-N 3.09Å
4H70.1Confident74.6Confident155 Ų15596.1 Ų96.172%0.71848%0.483SS*.Hα-helixtrans-56.7-47.6170.5-80.8-62.7000111.9S2 F6 F7 T8S2-H4 PolarHBondContact O-N 3.4Å; S2-H4 VanDerWaalsContact O-N 3.14Å; S2-H4 PolarHBondContact OG-N 3.27Å; H4-F6 VanDerWaalsContact C-N 3.32Å; H4-F6 PolarHBondContact O-N 3.25Å; H4-F7 PolarHBondContact O-N 3.01Å; H4-T8 PolarHBondContact O-N 3.15Å; H4-T8 PolarHBondContact O-OG1 3.19Å
5T74.5Confident75Confident53 Ų5396.7 Ų96.733%0.32549%0.488SS..Hα-helixtrans-59-40.9177.941.30000112.6S2 W3 T8 H9S2-T5 PolarHBondContact N-OG1 3.42Å; S2-T5 WeakPolarHBondContact O-CA 3.42Å; S2-T5 WeakPolarHBondContact O-CB 3.44Å; S2-T5 PolarHBondContact O-N 3.49Å; S2-T5 PolarHBondContact O-OG1 3.31Å; W3-T5 PolarHBondContact O-N 3.48Å; T5-T8 VanDerWaalsContact CA-OG1 3.3Å; T5-T8 WeakPolarHBondContact CA-OG1 3.43Å; T5-T8 PolarHBondContact O-N 2.66Å; T5-T8 PolarHBondContact O-OG1 3.42Å; T5-H9 PolarHBondContact O-CD2 3.44Å; T5-H9 PolarHBondContact O-N 3.37Å
6F77.3Confident75.3Confident98 Ų9895.9 Ų95.943%0.4349%0.489SS..Hα-helixtrans-63.2-48.1177.3-179.7-98.2000112.3M1 S2 W3 H4 T8 H9 L10M1-F6 HydrophobicContact CE-CB 4.12Å; M1-F6 HydrophobicContact CE-CD2 4.31Å; S2-F6 PolarHBondContact O-N 3.32Å; W3-F6 PolarHBondContact O-N 3.41Å; H4-F6 VanDerWaalsContact C-N 3.32Å; H4-F6 PolarHBondContact O-N 3.25Å; F6-T8 PolarHBondContact O-N 2.85Å; F6-H9 PolarHBondContact O-N 2.93Å; F6-L10 PolarHBondContact O-N 2.89Å
7F75Confident75.4Confident58 Ų5897.7 Ų97.725%0.25449%0.493SS..Hα-helixtrans-66.1-37.3178.9-79.5-70.8000112.8W3 H4 L10 N11 L503W3-F7 AromaticContact CE3-CE2 4Å; W3-F7 HydrophobicContact CE3-CE2 4Å; W3-F7 VanDerWaalsContact O-CD2 3.3Å; W3-F7 WeakPolarHBondContact O-CD2 3.5Å; W3-F7 PolarHBondContact O-N 3.07Å; W3-F7 VanDerWaalsContact O-N 3.09Å; H4-F7 PolarHBondContact O-N 3.01Å; F7-L10 PolarHBondContact O-N 3.38Å; F7-N11 WeakPolarHBondContact O-CB 3.41Å; F7-N11 PolarHBondContact O-N 3.37Å; F7-N11 PolarHBondContact O-ND2 2.94Å; F7-L503 HydrophobicContact CD1-CD2 4.33Å; F7-L503 HydrophobicContact CE1-CD2 3.75Å
8T73.8Confident75.3Confident78 Ų7895.6 Ų95.648%0.47948%0.48SS..Hα-helixtrans-62.2-43172.125.90000111.8H4 T5 F6 N11 I12H4-T8 PolarHBondContact O-N 3.15Å; H4-T8 PolarHBondContact O-OG1 3.19Å; T5-T8 VanDerWaalsContact CA-OG1 3.3Å; T5-T8 WeakPolarHBondContact CA-OG1 3.43Å; T5-T8 PolarHBondContact O-N 2.66Å; T5-T8 PolarHBondContact O-OG1 3.42Å; F6-T8 PolarHBondContact O-N 2.85Å; T8-N11 PolarHBondContact O-N 2.87Å; T8-I12 WeakPolarHBondContact O-CB 3.44Å; T8-I12 WeakPolarHBondContact O-CD1 3.33Å; T8-I12 WeakPolarHBondContact O-CG1 3.3Å; T8-I12 PolarHBondContact O-N 2.87Å
9H77.2Confident75.2Confident103 Ų10395.7 Ų95.748%0.47748%0.482SS..Hα-helixtrans-65.5-41.5178.1-72.9-51.5000112.2T5 F6 I12 V13T5-H9 PolarHBondContact O-CD2 3.44Å; T5-H9 PolarHBondContact O-N 3.37Å; F6-H9 PolarHBondContact O-N 2.93Å; H9-I12 PolarHBondContact O-N 2.88Å; H9-V13 WeakPolarHBondContact O-CG2 3.3Å; H9-V13 PolarHBondContact O-N 2.88Å
10L79.1Confident74.8Confident70 Ų7097.8 Ų97.837%0.36649%0.488SS..Hα-helixtrans-62.9-44.2176.7-173.965.3000111.6F6 F7 I12 V13 I14F6-L10 PolarHBondContact O-N 2.89Å; F7-L10 PolarHBondContact O-N 3.38Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 3.42Å; L10-V13 PolarHBondContact O-N 3.46Å; L10-I14 HydrophobicContact CD1-CD1 4.43Å; L10-I14 HydrophobicContact CG-CD1 4.02Å; L10-I14 WeakPolarHBondContact O-CB 3.31Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.48Å; L10-I14 PolarHBondContact O-N 2.89Å
11N79.1Confident74.3Confident88 Ų8896.9 Ų96.947%0.47148%0.482SS..Hα-helixtrans-64.3-37.2176.2-78.9-66.5000112.3F7 T8 I14 L15F7-N11 WeakPolarHBondContact O-CB 3.41Å; F7-N11 PolarHBondContact O-N 3.37Å; F7-N11 PolarHBondContact O-ND2 2.94Å; T8-N11 PolarHBondContact O-N 2.87Å; N11-I14 PolarHBondContact O-N 3.34Å; N11-L15 VanDerWaalsContact O-CB 3.26Å; N11-L15 WeakPolarHBondContact O-CB 3.35Å; N11-L15 PolarHBondContact O-N 3.48Å
12I80.3Confident74.6Confident92 Ų9294.2 Ų94.247%0.47247%0.469SS..Hα-helixtrans-65-44.6174.2-70.2161.5000110.5T8 H9 L10 I14 L15 V16T8-I12 WeakPolarHBondContact O-CB 3.44Å; T8-I12 WeakPolarHBondContact O-CD1 3.33Å; T8-I12 WeakPolarHBondContact O-CG1 3.3Å; T8-I12 PolarHBondContact O-N 2.87Å; H9-I12 PolarHBondContact O-N 2.88Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 3.42Å; I12-I14 VanDerWaalsContact C-N 3.34Å; I12-I14 PolarHBondContact O-N 3.49Å; I12-L15 PolarHBondContact O-N 3.32Å; I12-V16 HydrophobicContact CG2-CG2 4.2Å; I12-V16 WeakPolarHBondContact O-CB 3.5Å; I12-V16 VanDerWaalsContact O-CG2 3.23Å; I12-V16 WeakPolarHBondContact O-CG2 3.23Å; I12-V16 PolarHBondContact O-N 2.99Å
13V79.7Confident73.5Confident95 Ų9597.3 Ų97.358%0.57648%0.476SS*.Hα-helixtrans-62.8-43.5178171.10000110.9H9 L10 V16 F17H9-V13 WeakPolarHBondContact O-CG2 3.3Å; H9-V13 PolarHBondContact O-N 2.88Å; L10-V13 PolarHBondContact O-N 3.46Å; V13-V16 PolarHBondContact O-N 3.29Å; V13-F17 WeakPolarHBondContact O-CB 3.3Å; V13-F17 PolarHBondContact O-N 3.48Å
14I80.1Confident72.6Confident43 Ų4393 Ų9322%0.22147%0.468CS..Hα-helixtrans-60.8-49.9174.9-69.6169000109.6L10 N11 I12 V16 F17 F18 I499L10-I14 HydrophobicContact CD1-CD1 4.43Å; L10-I14 HydrophobicContact CG-CD1 4.02Å; L10-I14 WeakPolarHBondContact O-CB 3.31Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.48Å; L10-I14 PolarHBondContact O-N 2.89Å; N11-I14 PolarHBondContact O-N 3.34Å; I12-I14 VanDerWaalsContact C-N 3.34Å; I12-I14 PolarHBondContact O-N 3.49Å; I14-V16 VanDerWaalsContact C-N 3.33Å; I14-V16 PolarHBondContact O-N 3.02Å; I14-F17 CarbonylContact O-C 3.59Å; I14-F17 WeakPolarHBondContact O-CB 3.41Å; I14-F17 PolarHBondContact O-N 2.86Å; I14-F17 VanDerWaalsContact O-N 3.12Å; I14-F18 HydrophobicContact CG2-CD2 3.52Å; I14-F18 HydrophobicContact CG2-CE2 3.5Å; I14-F18 VanDerWaalsContact CG2-CE2 3.5Å; I14-F18 WeakPolarHBondContact O-CD2 3.43Å; I14-F18 PolarHBondContact O-N 3.35Å; I14-I499 HydrophobicContact CD1-CD1 4.46Å; I14-I499 HydrophobicContact CD1-CG2 4.49Å
15L79.7Confident71.7Confident105 Ų10588.6 Ų88.655%0.5545%0.447SS..Hα-helixtrans-59.8-41.9178.4-172.773.7000112.1N11 I12 F17 F18 L19N11-L15 VanDerWaalsContact O-CB 3.26Å; N11-L15 WeakPolarHBondContact O-CB 3.35Å; N11-L15 PolarHBondContact O-N 3.48Å; I12-L15 PolarHBondContact O-N 3.32Å; L15-F17 VanDerWaalsContact C-N 3.34Å; L15-F18 WeakPolarHBondContact O-CB 3.41Å; L15-F18 PolarHBondContact O-N 3.33Å; L15-L19 HydrophobicContact CD2-CD1 4.5Å; L15-L19 HydrophobicContact CG-CD1 4.11Å; L15-L19 HydrophobicContact CG-CG 4.44Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 VanDerWaalsContact O-CG 3.23Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.91Å
16V79.6Confident70.1Confident84 Ų8493.7 Ų93.751%0.50947%0.467SS..Hα-helixtrans-65.3-39.8175.9169.70000110.6I12 V13 I14 L19 F20I12-V16 HydrophobicContact CG2-CG2 4.2Å; I12-V16 WeakPolarHBondContact O-CB 3.5Å; I12-V16 VanDerWaalsContact O-CG2 3.23Å; I12-V16 WeakPolarHBondContact O-CG2 3.23Å; I12-V16 PolarHBondContact O-N 2.99Å; V13-V16 PolarHBondContact O-N 3.29Å; I14-V16 VanDerWaalsContact C-N 3.33Å; I14-V16 PolarHBondContact O-N 3.02Å; V16-L19 PolarHBondContact O-N 2.94Å; V16-F20 WeakPolarHBondContact O-CB 3.32Å; V16-F20 PolarHBondContact O-N 2.64Å
17F77.5Confident68.5Low127 Ų12792.1 Ų92.156%0.55747%0.472SS*.Hα-helixtrans-64.2-42.9174.5-164.8-90.2000111.1V13 I14 L15 F20 E21V13-F17 WeakPolarHBondContact O-CB 3.3Å; V13-F17 PolarHBondContact O-N 3.48Å; I14-F17 CarbonylContact O-C 3.59Å; I14-F17 WeakPolarHBondContact O-CB 3.41Å; I14-F17 PolarHBondContact O-N 2.86Å; I14-F17 VanDerWaalsContact O-N 3.12Å; L15-F17 VanDerWaalsContact C-N 3.34Å; F17-F20 PolarHBondContact O-N 3.38Å; F17-E21 HydrophobicContact CD1-CG 3.95Å; F17-E21 HydrophobicContact CE1-CG 3.65Å; F17-E21 HydrophobicContact CZ-CG 4.25Å; F17-E21 WeakPolarHBondContact O-CB 3.36Å; F17-E21 WeakPolarHBondContact O-CG 3.37Å; F17-E21 PolarHBondContact O-N 2.93Å
18F74.1Confident67.1Low60 Ų6091.6 Ų91.626%0.26348%0.479SS..Hα-helixtrans-59.9-47.1172.5-90.7-76.8000112.3I14 L15 F20 M22 V492 C496I14-F18 HydrophobicContact CG2-CD2 3.52Å; I14-F18 HydrophobicContact CG2-CE2 3.5Å; I14-F18 VanDerWaalsContact CG2-CE2 3.5Å; I14-F18 WeakPolarHBondContact O-CD2 3.43Å; I14-F18 PolarHBondContact O-N 3.35Å; L15-F18 WeakPolarHBondContact O-CB 3.41Å; L15-F18 PolarHBondContact O-N 3.33Å; F18-F20 VanDerWaalsContact C-N 3.32Å; F18-M22 WeakPolarHBondContact O-CB 3.4Å; F18-M22 WeakPolarHBondContact O-CG 3.3Å; F18-M22 PolarHBondContact O-N 3.38Å; F18-V492 HydrophobicContact CD1-CG1 4.3Å; F18-V492 HydrophobicContact CE1-CG1 3.3Å; F18-V492 HydrophobicContact CZ-CG1 3.86Å; F18-C496 WeakPolarHBondContact CZ-SG 3.48Å
19L72.9Confident65.8Low98 Ų9892.6 Ų92.651%0.51349%0.487SS..Hα-helixtrans-66.5-36.3178.1-72.1172000111.3L15 V16 H23L15-L19 HydrophobicContact CD2-CD1 4.5Å; L15-L19 HydrophobicContact CG-CD1 4.11Å; L15-L19 HydrophobicContact CG-CG 4.44Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 VanDerWaalsContact O-CG 3.23Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.91Å; V16-L19 PolarHBondContact O-N 2.94Å; L19-H23 WeakPolarHBondContact O-CB 3.48Å; L19-H23 PolarHBondContact O-N 3.39Å
20F67.5Low64.6Low136 Ų13695.3 Ų95.360%0.59651%0.51SS*.Hα-helixtrans-69.7-48.2177.7-168.3-94.7000111V16 F17 F18 H23 T24V16-F20 WeakPolarHBondContact O-CB 3.32Å; V16-F20 PolarHBondContact O-N 2.64Å; F17-F20 PolarHBondContact O-N 3.38Å; F18-F20 VanDerWaalsContact C-N 3.32Å; F20-H23 PolarHBondContact O-N 2.67Å; F20-T24 HydrophobicContact CD1-CG2 4.05Å; F20-T24 HydrophobicContact CE1-CG2 3.73Å; F20-T24 HydrophobicContact CZ-CG2 4.04Å; F20-T24 WeakPolarHBondContact O-CB 3.25Å; F20-T24 WeakPolarHBondContact O-CG2 3.49Å; F20-T24 PolarHBondContact O-N 3.43Å; F20-T24 PolarHBondContact O-OG1 3.42Å
21E64.4Low64.3Low80 Ų8093.6 Ų93.637%0.37451%0.509SS..Hα-helixtrans-55.1-54.4171.7-76.8-75.9164.300109.5F17 H23 T24 F25F17-E21 HydrophobicContact CD1-CG 3.95Å; F17-E21 HydrophobicContact CE1-CG 3.65Å; F17-E21 HydrophobicContact CZ-CG 4.25Å; F17-E21 WeakPolarHBondContact O-CB 3.36Å; F17-E21 WeakPolarHBondContact O-CG 3.37Å; F17-E21 PolarHBondContact O-N 2.93Å; E21-H23 VanDerWaalsContact C-N 3.32Å; E21-H23 PolarHBondContact O-N 2.91Å; E21-T24 WeakPolarHBondContact CA-OG1 3.5Å; E21-T24 PolarHBondContact O-N 2.93Å; E21-T24 PolarHBondContact O-OG1 3.26Å; E21-F25 WeakPolarHBondContact O-CB 3.47Å; E21-F25 PolarHBondContact O-N 2.97Å
22M60.3Low64.6Low113 Ų11392.2 Ų92.256%0.55750%0.5SS*.Hα-helixtrans-55.4-42.9176.6-71-104.6-65.100112.9F18 F25 E26F18-M22 WeakPolarHBondContact O-CB 3.4Å; F18-M22 WeakPolarHBondContact O-CG 3.3Å; F18-M22 PolarHBondContact O-N 3.38Å; M22-F25 CarbonylContact O-C 3.53Å; M22-F25 WeakPolarHBondContact O-CA 3.3Å; M22-F25 WeakPolarHBondContact O-CB 3.5Å; M22-F25 PolarHBondContact O-N 2.94Å; M22-F25 VanDerWaalsContact O-N 3.1Å; M22-E26 WeakPolarHBondContact O-CB 3.4Å; M22-E26 PolarHBondContact O-N 3.49Å
23H53.1Low65.1Low136 Ų13689.9 Ų89.963%0.6349%0.488SS*.Hα-helixtrans-73.1-38.4-177.1-162.316.7000111.9L19 F20 E21 F25 A27L19-H23 WeakPolarHBondContact O-CB 3.48Å; L19-H23 PolarHBondContact O-N 3.39Å; F20-H23 PolarHBondContact O-N 2.67Å; E21-H23 VanDerWaalsContact C-N 3.32Å; E21-H23 PolarHBondContact O-N 2.91Å; H23-F25 PolarHBondContact O-N 3.2Å; H23-A27 WeakPolarHBondContact O-CB 3.31Å; H23-A27 PolarHBondContact O-N 3.41Å
24T50.1Low65.8Low81 Ų8186.8 Ų86.850%0.49747%0.467SS..Hα-helixtrans-66-22.3168.5590000112.3F20 E21F20-T24 HydrophobicContact CD1-CG2 4.05Å; F20-T24 HydrophobicContact CE1-CG2 3.73Å; F20-T24 HydrophobicContact CZ-CG2 4.04Å; F20-T24 WeakPolarHBondContact O-CB 3.25Å; F20-T24 WeakPolarHBondContact O-CG2 3.49Å; F20-T24 PolarHBondContact O-N 3.43Å; F20-T24 PolarHBondContact O-OG1 3.42Å; E21-T24 WeakPolarHBondContact CA-OG1 3.5Å; E21-T24 PolarHBondContact O-N 2.93Å; E21-T24 PolarHBondContact O-OG1 3.26Å
25F50.4Low66.5Low63 Ų6385 Ų8528%0.27646%0.457SS..Hα-helixtrans-89.7-28.3-177.1-157.2-113.9000114.7E21 M22 H23 R485E21-F25 WeakPolarHBondContact O-CB 3.47Å; E21-F25 PolarHBondContact O-N 2.97Å; M22-F25 CarbonylContact O-C 3.53Å; M22-F25 WeakPolarHBondContact O-CA 3.3Å; M22-F25 WeakPolarHBondContact O-CB 3.5Å; M22-F25 PolarHBondContact O-N 2.94Å; M22-F25 VanDerWaalsContact O-N 3.1Å; H23-F25 PolarHBondContact O-N 3.2Å; F25-R485 VanDerWaalsContact CD1-NH1 3.29Å; F25-R485 HydrophobicContact CE1-CG 3.79Å; F25-R485 HydrophobicContact CZ-CB 3.79Å; F25-R485 HydrophobicContact CZ-CG 3.45Å; F25-R485 VanDerWaalsContact CZ-CG 3.45Å; F25-R485 PolarHBondContact O-NH2 3.12Å
26E41.8Very low67.4Low159 Ų15980 Ų8074%0.74343%0.431SS*.Hα-helixtrans-90.8-22.8180-153.3163.9-150.200112M22 A28M22-E26 WeakPolarHBondContact O-CB 3.4Å; M22-E26 PolarHBondContact O-N 3.49Å; E26-A28 PolarHBondContact O-N 2.86Å
27A42.8Very low68.2Low65 Ų6576 Ų7654%0.53741%0.407SS..  trans-82.261.2174.700000112.1H23H23-A27 WeakPolarHBondContact O-CB 3.31Å; H23-A27 PolarHBondContact O-N 3.41Å
28A46.6Very low69.2Low48 Ų4870 Ų7040%0.39738%0.38SS..  trans-54.7131.3153.400000106.9E26 V30 I54E26-A28 PolarHBondContact O-N 2.86Å; A28-V30 PolarHBondContact O-N 3.3Å; A28-I54 HydrophobicContact CB-CD1 4.43Å
29P46.4Very low70.3Confident98 Ų9867.6 Ų67.664%0.63637%0.37SS*.  trans-57.8120-173.520.9-30.2000108.8G31P29-G31 PolarHBondContact O-N 3.34Å
30V51.6Low71.5Confident161 Ų16163 Ų6398%0.97635%0.347SS*.  trans-69.762.4175.4-174.30000108.8A28A28-V30 PolarHBondContact O-N 3.3Å
31G72.7Confident72.8Confident33 Ų3356.8 Ų56.834%0.3432%0.321SS..SBendtrans-131.1150.2-170.700000111.2P29 N33P29-G31 PolarHBondContact O-N 3.34Å; G31-N33 PolarHBondContact O-N 2.77Å
32Q84.5Confident74.1Confident59 Ų5954.4 Ų54.428%0.27631%0.313SS..EExtended strand (participates in β ladder)trans-67.1125.1170.9-164.680.214.300109.1Y34 T51Q32-Y34 HydrophobicContact CB-CE2 4.26Å; Q32-Y34 HydrophobicContact CG-CE1 4.16Å; Q32-Y34 HydrophobicContact CG-CE2 4.35Å; Q32-Y34 VanDerWaalsContact O-CE2 3.3Å; Q32-Y34 WeakPolarHBondContact O-CE2 3.44Å; Q32-T51 WeakPolarHBondContact CG-OG1 3.21Å; Q32-T51 PolarHBondContact NE2-OG1 3.44Å
33N91.1Very high75.6Confident43 Ų4351.4 Ų51.423%0.2330%0.303CS..EExtended strand (participates in β ladder)trans-92.9154.8173.2-66.4-54.8000110.8G31 T51 W52 I54G31-N33 PolarHBondContact O-N 2.77Å; N33-T51 WeakPolarHBondContact O-CA 3.41Å; N33-T51 WeakPolarHBondContact O-CB 3.27Å; N33-T51 PolarHBondContact O-OG1 3.35Å; N33-W52 HydrophobicContact CB-CD2 3.78Å; N33-W52 HydrophobicContact CB-CE3 3.94Å; N33-W52 HydrophobicContact CB-CG 4.47Å; N33-W52 HydrophobicContact CB-CH2 3.76Å; N33-W52 HydrophobicContact CB-CZ2 3.61Å; N33-W52 HydrophobicContact CB-CZ3 3.91Å; N33-W52 PolarHBondContact N-O 3.09Å; N33-W52 PolarHBondContact O-N 3.14Å; N33-I54 WeakPolarHBondContact ND2-CG1 3.2Å
34Y94.2Very high77.6Confident31 Ų3144.9 Ų44.912%0.12227%0.273CS..EExtended strand (participates in β ladder)trans-134.6148.5178.9-52.3-90.9000109.6Q32 V49 Y50 L68 I109 P110 P118Q32-Y34 HydrophobicContact CB-CE2 4.26Å; Q32-Y34 HydrophobicContact CG-CE1 4.16Å; Q32-Y34 HydrophobicContact CG-CE2 4.35Å; Q32-Y34 VanDerWaalsContact O-CE2 3.3Å; Q32-Y34 WeakPolarHBondContact O-CE2 3.44Å; Y34-V49 HydrophobicContact CD1-CG1 4.5Å; Y34-Y50 WeakPolarHBondContact CA-O 3.27Å; Y34-L68 HydrophobicContact CD1-CD1 4.45Å; Y34-L68 HydrophobicContact CD1-CD2 4.17Å; Y34-L68 HydrophobicContact CE1-CD1 3.96Å; Y34-L68 HydrophobicContact CE1-CD2 4.19Å; Y34-I109 HydrophobicContact CD1-CG1 4.36Å; Y34-I109 HydrophobicContact CD2-CG2 4.22Å; Y34-I109 HydrophobicContact CG-CG2 4.16Å; Y34-P110 HydrophobicContact CE2-CG 4.47Å; Y34-P118 VanDerWaalsContact O-CD 3.28Å; Y34-P118 WeakPolarHBondContact O-CD 3.48Å
35I95.7Very high79.9Confident4 Ų441.1 Ų41.12%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-146.6137.7172.9-175.8156.1000109.1I37 V49 Y50 W52 P118 F120 L470I35-I37 HydrophobicContact CG1-CG1 4.34Å; I35-V49 WeakPolarHBondContact O-CA 3.26Å; I35-Y50 PolarHBondContact N-O 3.45Å; I35-Y50 PolarHBondContact O-N 2.96Å; I35-W52 HydrophobicContact CB-CH2 4.23Å; I35-W52 HydrophobicContact CB-CZ3 3.81Å; I35-W52 HydrophobicContact CG2-CE3 4.32Å; I35-W52 HydrophobicContact CG2-CH2 4.32Å; I35-W52 HydrophobicContact CG2-CZ3 3.52Å; I35-P118 HydrophobicContact CD1-CB 4.06Å; I35-P118 HydrophobicContact CD1-CG 4.35Å; I35-P118 HydrophobicContact CG1-CB 4.14Å; I35-F120 HydrophobicContact CD1-CD2 3.92Å; I35-F120 HydrophobicContact CD1-CE2 3.65Å; I35-F120 HydrophobicContact CG1-CD2 4.19Å; I35-F120 HydrophobicContact CG1-CE2 4.32Å; I35-L470 HydrophobicContact CB-CD1 4.31Å; I35-L470 HydrophobicContact CD1-CD1 3.39Å; I35-L470 HydrophobicContact CG1-CD1 4.04Å; I35-L470 HydrophobicContact CG2-CD1 3.49Å; I35-L470 VanDerWaalsContact CG2-CD1 3.49Å; I35-L470 HydrophobicContact CG2-CD2 4.06Å; I35-L470 HydrophobicContact CG2-CG 4.45Å
36I97.7Very high82.1Confident0 Ų041.2 Ų41.20%025%0.248CC..EExtended strand (participates in β ladder)trans-106128178-53.9165.1000107.9M47 F48 V49 L102 A105 I109 T117 P118 L119 F120 F152I36-M47 HydrophobicContact CG2-CG 3.78Å; I36-M47 HydrophobicContact CG2-SD 3.96Å; I36-F48 WeakPolarHBondContact CA-O 3.45Å; I36-V49 HydrophobicContact CG1-CG2 4.35Å; I36-L102 HydrophobicContact CG2-CD2 4.13Å; I36-A105 HydrophobicContact CD1-CB 3.76Å; I36-A105 HydrophobicContact CG1-CB 4.14Å; I36-A105 HydrophobicContact CG2-CB 4.36Å; I36-I109 HydrophobicContact CD1-CD1 3.78Å; I36-I109 HydrophobicContact CG1-CD1 3.74Å; I36-T117 HydrophobicContact CD1-CG2 4.02Å; I36-T117 HydrophobicContact CG1-CG2 3.9Å; I36-P118 PolarHBondContact N-O 2.92Å; I36-L119 HydrophobicContact CB-CB 4.47Å; I36-L119 HydrophobicContact CB-CD1 3.68Å; I36-L119 HydrophobicContact CD1-CD1 4.49Å; I36-L119 HydrophobicContact CG2-CD1 3.49Å; I36-L119 VanDerWaalsContact CG2-CD1 3.49Å; I36-L119 WeakPolarHBondContact O-CA 3.36Å; I36-F120 PolarHBondContact O-N 3.34Å; I36-F152 HydrophobicContact CD1-CD1 3.74Å; I36-F152 HydrophobicContact CD1-CD2 3.71Å; I36-F152 HydrophobicContact CD1-CE1 3.52Å; I36-F152 HydrophobicContact CD1-CE2 3.49Å; I36-F152 VanDerWaalsContact CD1-CE2 3.49Å; I36-F152 HydrophobicContact CD1-CG 3.83Å; I36-F152 HydrophobicContact CD1-CZ 3.38Å
37I97.5Very high84.8Confident0 Ų033.6 Ų33.60%021%0.213CC..EExtended strand (participates in β ladder)trans-124.7125.7171.3-58.5-175.4000109.4I35 M47 F48 Y50 F120 M122 S466 L470I35-I37 HydrophobicContact CG1-CG1 4.34Å; I37-M47 WeakPolarHBondContact O-CA 3.36Å; I37-F48 PolarHBondContact N-O 3.5Å; I37-F48 PolarHBondContact O-N 3.49Å; I37-Y50 HydrophobicContact CD1-CD2 4.48Å; I37-Y50 HydrophobicContact CD1-CE2 4.44Å; I37-F120 CarbonylContact C-O 3.58Å; I37-F120 WeakPolarHBondContact CA-O 3.46Å; I37-F120 HydrophobicContact CG1-CB 4.41Å; I37-M122 HydrophobicContact CG2-CE 3.58Å; I37-S466 WeakPolarHBondContact CD1-O 3.27Å; I37-L470 HydrophobicContact CD1-CB 3.5Å; I37-L470 HydrophobicContact CD1-CD1 4.04Å; I37-L470 HydrophobicContact CD1-CG 4.25Å
38V98.3Very high87.3Confident1 Ų130.5 Ų30.51%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-104.7111.7169.6-1750000108.8A40 R46 M47 L101 L102 L119 F120 I121 M122V38-A40 PolarHBondContact O-N 2.92Å; V38-R46 CarbonylContact C-O 3.52Å; V38-R46 WeakPolarHBondContact CA-O 3.13Å; V38-M47 HydrophobicContact CG2-CB 4Å; V38-M47 HydrophobicContact CG2-CG 3.88Å; V38-L101 HydrophobicContact CG1-CD1 3.97Å; V38-L102 HydrophobicContact CG2-CD2 3.95Å; V38-L119 HydrophobicContact CG2-CD1 4.4Å; V38-F120 PolarHBondContact N-O 2.83Å; V38-I121 HydrophobicContact CB-CB 4.31Å; V38-I121 HydrophobicContact CB-CG1 4.1Å; V38-I121 HydrophobicContact CB-CG2 4.09Å; V38-I121 HydrophobicContact CG1-CG2 4.24Å; V38-I121 HydrophobicContact CG2-CG1 4.06Å; V38-M122 PolarHBondContact O-N 3.45Å
39D97.4Very high89.7Confident10 Ų1028.2 Ų28.25%0.05317%0.169CC..EExtended strand (participates in β ladder)trans-79.6106.1162.9165.127000108.3G41 S45 R46 F48 W465D39-G41 PolarHBondContact O-N 3.44Å; D39-G41 PolarHBondContact OD1-N 3.46Å; D39-S45 CarbonylContact O-C 3.43Å; D39-S45 WeakPolarHBondContact O-CA 3.33Å; D39-R46 PolarHBondContact N-O 2.97Å; D39-R46 PolarHBondContact O-N 3.14Å; D39-F48 HydrophobicContact CB-CE2 4.49Å; D39-W465 HydrophobicContact CB-CZ2 3.9Å; D39-W465 VanDerWaalsContact OD1-CZ2 3.29Å; D39-W465 WeakPolarHBondContact OD1-CZ2 3.37Å; D39-W465 PolarHBondContact OD1-NE1 3.22Å
40A97.6Very high92Very high2 Ų223.7 Ų23.72%0.01714%0.139CC..EExtended strand (participates in β ladder)trans-92.875.4175.700000111.1V38 S45 L84 M122 A123 T124V38-A40 PolarHBondContact O-N 2.92Å; A40-S45 WeakPolarHBondContact CA-OG 3.49Å; A40-L84 HydrophobicContact CB-CB 4Å; A40-L84 HydrophobicContact CB-CD2 3.93Å; A40-M122 PolarHBondContact N-O 2.94Å; A40-A123 HydrophobicContact CB-CB 3.73Å; A40-A123 VanDerWaalsContact O-CA 3.27Å; A40-A123 WeakPolarHBondContact O-CA 3.48Å; A40-A123 WeakPolarHBondContact O-CB 3.23Å; A40-T124 PolarHBondContact O-N 2.55Å; A40-T124 VanDerWaalsContact O-N 3.11Å
41G94.9Very high94Very high5 Ų516.1 Ų16.15%0.0529%0.093CC..EExtended strand (participates in β ladder)trans-75.5169.5-178.600000115.3D39 S43 G44 G83D39-G41 PolarHBondContact O-N 3.44Å; D39-G41 PolarHBondContact OD1-N 3.46Å; G41-S43 PolarHBondContact O-N 3.02Å; G41-G44 CarbonylContact C-O 3.56Å; G41-G44 VanDerWaalsContact CA-O 3.25Å; G41-G44 WeakPolarHBondContact CA-O 3.29Å; G41-G44 PolarHBondContact N-O 2.9Å; G41-G44 PolarHBondContact O-N 3.26Å; G41-G44 VanDerWaalsContact O-O 3.12Å; G41-G83 VanDerWaalsContact O-CA 3.25Å; G41-G83 WeakPolarHBondContact O-CA 3.39Å
42S92.4Very high94.8Very high30 Ų3015.7 Ų15.721%0.218%0.081CC..THydrogen-bonded Turntrans-65-32.6-176.363.30000114.7G204 A205S42-G204 WeakPolarHBondContact OG-CA 3.45Å; S42-A205 PolarHBondContact OG-N 3.07Å
43S91.7Very high94.8Very high50 Ų5018.3 Ų18.335%0.359%0.093SC..THydrogen-bonded Turntrans-102-5.5-177.3-55.20000113.3G41 S81 N253G41-S43 PolarHBondContact O-N 3.02Å; S43-S81 PolarHBondContact O-OG 3.47Å; S43-N253 PolarHBondContact OG-ND2 3.39Å
44G95.1Very high93.9Very high0 Ų020.3 Ų20.30%010%0.103CC..EExtended strand (participates in β ladder)trans165.3164.3-176.200000111.3G41 R46 K80G41-G44 CarbonylContact C-O 3.56Å; G41-G44 VanDerWaalsContact CA-O 3.25Å; G41-G44 WeakPolarHBondContact CA-O 3.29Å; G41-G44 PolarHBondContact N-O 2.9Å; G41-G44 PolarHBondContact O-N 3.26Å; G41-G44 VanDerWaalsContact O-O 3.12Å; G44-R46 PolarHBondContact O-NH1 2.77Å; G44-K80 CarbonylContact C-O 3.51Å; G44-K80 WeakPolarHBondContact CA-O 3.5Å
45S97.7Very high92.6Very high1 Ų124 Ų241%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-105.5147.9172.4-55.50000111.2D39 A40 K79 K80 Y97D39-S45 CarbonylContact O-C 3.43Å; D39-S45 WeakPolarHBondContact O-CA 3.33Å; A40-S45 WeakPolarHBondContact CA-OG 3.49Å; S45-K79 CarbonylContact O-C 3.56Å; S45-K79 WeakPolarHBondContact O-CA 3.12Å; S45-K80 PolarHBondContact N-O 3.39Å; S45-K80 PolarHBondContact O-N 2.92Å; S45-Y97 VanDerWaalsContact CB-OH 3.23Å; S45-Y97 WeakPolarHBondContact CB-OH 3.43Å; S45-Y97 PolarHBondContact N-OH 3.4Å; S45-Y97 WeakPolarHBondContact OG-CE1 3.34Å; S45-Y97 PolarHBondContact OG-OH 3.44Å
46R97.1Very high90.8Very high65 Ų6529.2 Ų29.225%0.24516%0.163CC..EExtended strand (participates in β ladder)trans-128121.9173.9-64.692.6-179156.3-0.9109.3V38 D39 G44 F48 K78 K79V38-R46 CarbonylContact C-O 3.52Å; V38-R46 WeakPolarHBondContact CA-O 3.13Å; D39-R46 PolarHBondContact N-O 2.97Å; D39-R46 PolarHBondContact O-N 3.14Å; G44-R46 PolarHBondContact O-NH1 2.77Å; R46-F48 HydrophobicContact CB-CD2 4.34Å; R46-F48 HydrophobicContact CB-CE2 3.42Å; R46-F48 VanDerWaalsContact CB-CE2 3.42Å; R46-F48 HydrophobicContact CB-CZ 3.6Å; R46-F48 HydrophobicContact CG-CZ 4.35Å; R46-K78 CarbonylContact C-O 3.57Å; R46-K78 WeakPolarHBondContact CA-O 3.45Å; R46-K79 HydrophobicContact CB-CG 4.41Å; R46-K79 HydrophobicContact CG-CB 4.22Å; R46-K79 HydrophobicContact CG-CD 3.89Å; R46-K79 HydrophobicContact CG-CG 3.68Å
47M97.7Very high89.3Confident0 Ų036.3 Ų36.30%020%0.196CC..EExtended strand (participates in β ladder)trans-96.6132.3171.5-178.3-74.8-69.900108.7I36 I37 V38 V49 V77 K78 L101 L102 Y104 A105I36-M47 HydrophobicContact CG2-CG 3.78Å; I36-M47 HydrophobicContact CG2-SD 3.96Å; I37-M47 WeakPolarHBondContact O-CA 3.36Å; V38-M47 HydrophobicContact CG2-CB 4Å; V38-M47 HydrophobicContact CG2-CG 3.88Å; M47-V49 HydrophobicContact CE-CG2 4.32Å; M47-V49 HydrophobicContact SD-CG2 3.67Å; M47-V77 CarbonylContact O-C 3.54Å; M47-V77 VanDerWaalsContact O-CA 3.29Å; M47-V77 WeakPolarHBondContact O-CA 3.34Å; M47-K78 HydrophobicContact CB-CB 4.46Å; M47-K78 HydrophobicContact CE-CB 3.93Å; M47-K78 PolarHBondContact N-O 2.91Å; M47-K78 PolarHBondContact O-N 3.36Å; M47-L101 HydrophobicContact CB-CB 4Å; M47-L101 HydrophobicContact CB-CD2 4.15Å; M47-L101 VanDerWaalsContact CE-O 3.3Å; M47-L101 WeakPolarHBondContact CE-O 3.23Å; M47-L102 HydrophobicContact CG-CD2 4.36Å; M47-Y104 HydrophobicContact CE-CD1 3.84Å; M47-Y104 HydrophobicContact CE-CG 4.48Å; M47-A105 HydrophobicContact CE-CB 3.77Å; M47-A105 HydrophobicContact SD-CB 3.86Å
48F96.4Very high88Confident0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-123.3137.4174.6-54.6-92.6000109I36 I37 D39 R46 Y50 I67 V77 Q464I36-F48 WeakPolarHBondContact CA-O 3.45Å; I37-F48 PolarHBondContact N-O 3.5Å; I37-F48 PolarHBondContact O-N 3.49Å; D39-F48 HydrophobicContact CB-CE2 4.49Å; R46-F48 HydrophobicContact CB-CD2 4.34Å; R46-F48 HydrophobicContact CB-CE2 3.42Å; R46-F48 VanDerWaalsContact CB-CE2 3.42Å; R46-F48 HydrophobicContact CB-CZ 3.6Å; R46-F48 HydrophobicContact CG-CZ 4.35Å; F48-Y50 HydrophobicContact CB-CD2 4.03Å; F48-Y50 HydrophobicContact CB-CE2 3.51Å; F48-Y50 HydrophobicContact CG-CE2 4.16Å; F48-I67 HydrophobicContact CD1-CD1 4.33Å; F48-V77 HydrophobicContact CD1-CB 4.41Å; F48-V77 HydrophobicContact CD1-CG1 3.94Å; F48-V77 HydrophobicContact CD1-CG2 3.64Å; F48-V77 HydrophobicContact CE1-CG1 3.76Å; F48-V77 HydrophobicContact CE1-CG2 4.08Å; F48-V77 HydrophobicContact CZ-CG1 4.44Å; F48-Q464 HydrophobicContact CE1-CG 4.17Å; F48-Q464 HydrophobicContact CE2-CG 4.37Å; F48-Q464 HydrophobicContact CZ-CG 3.69Å
49V96.6Very high86.7Confident0 Ų043.6 Ų43.60%024%0.237CC..EExtended strand (participates in β ladder)trans-103.2113.8163.9-173.90000107.9Y34 I35 I36 M47 L68 V76 A105 I109Y34-V49 HydrophobicContact CD1-CG1 4.5Å; I35-V49 WeakPolarHBondContact O-CA 3.26Å; I36-V49 HydrophobicContact CG1-CG2 4.35Å; M47-V49 HydrophobicContact CE-CG2 4.32Å; M47-V49 HydrophobicContact SD-CG2 3.67Å; V49-L68 HydrophobicContact CB-CB 4.04Å; V49-L68 HydrophobicContact CB-CD2 4.18Å; V49-L68 HydrophobicContact CG1-CB 3.88Å; V49-L68 HydrophobicContact CG1-CD2 3.61Å; V49-L68 HydrophobicContact CG1-CG 4.4Å; V49-L68 WeakPolarHBondContact O-CB 3.23Å; V49-L68 PolarHBondContact O-N 3.23Å; V49-V76 HydrophobicContact CB-CB 4.26Å; V49-V76 HydrophobicContact CB-CG1 4.07Å; V49-V76 HydrophobicContact CG2-CB 4.37Å; V49-V76 HydrophobicContact CG2-CG1 3.65Å; V49-V76 PolarHBondContact N-O 2.87Å; V49-A105 HydrophobicContact CG2-CB 3.75Å; V49-I109 HydrophobicContact CG1-CD1 3.72Å; V49-I109 HydrophobicContact CG1-CG1 3.97Å; V49-I109 HydrophobicContact CG2-CD1 4.31Å
50Y95Very high85.6Confident3 Ų344 Ų441%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-96.9154.8171.4-63.4-88.9000110.2Y34 I35 I37 F48 E66 I67 S466 L467 L470Y34-Y50 WeakPolarHBondContact CA-O 3.27Å; I35-Y50 PolarHBondContact N-O 3.45Å; I35-Y50 PolarHBondContact O-N 2.96Å; I37-Y50 HydrophobicContact CD1-CD2 4.48Å; I37-Y50 HydrophobicContact CD1-CE2 4.44Å; F48-Y50 HydrophobicContact CB-CD2 4.03Å; F48-Y50 HydrophobicContact CB-CE2 3.51Å; F48-Y50 HydrophobicContact CG-CE2 4.16Å; Y50-E66 CarbonylContact C-O 3.53Å; Y50-E66 VanDerWaalsContact CA-O 3.27Å; Y50-E66 WeakPolarHBondContact CA-O 3.32Å; Y50-I67 HydrophobicContact CD1-CG1 3.87Å; Y50-I67 HydrophobicContact CE1-CD1 4.37Å; Y50-I67 HydrophobicContact CE1-CG1 3.59Å; Y50-S466 PolarHBondContact OH-OG 2.88Å; Y50-L467 HydrophobicContact CE1-CD1 3.98Å; Y50-L470 HydrophobicContact CD1-CD2 3.96Å; Y50-L470 HydrophobicContact CD2-CD2 3.7Å; Y50-L470 HydrophobicContact CE2-CD2 4.31Å; Y50-L470 HydrophobicContact CG-CD2 3.49Å; Y50-L470 VanDerWaalsContact CG-CD2 3.49Å
51T93.3Very high84.7Confident2 Ų244.2 Ų44.21%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-144148.4-179.5-1670000110.7Q32 N33 E66 L68Q32-T51 WeakPolarHBondContact CG-OG1 3.21Å; Q32-T51 PolarHBondContact NE2-OG1 3.44Å; N33-T51 WeakPolarHBondContact O-CA 3.41Å; N33-T51 WeakPolarHBondContact O-CB 3.27Å; N33-T51 PolarHBondContact O-OG1 3.35Å; T51-E66 HydrophobicContact CG2-CG 3.83Å; T51-E66 PolarHBondContact N-O 2.99Å; T51-E66 PolarHBondContact O-N 3.28Å; T51-L68 HydrophobicContact CG2-CB 4.22Å; T51-L68 HydrophobicContact CG2-CD1 4.18Å
52W89.7Confident84.2Confident24 Ų2444.2 Ų44.29%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-154.3162.8176.471.7107.1000110.3N33 I35 V65 L474N33-W52 HydrophobicContact CB-CD2 3.78Å; N33-W52 HydrophobicContact CB-CE3 3.94Å; N33-W52 HydrophobicContact CB-CG 4.47Å; N33-W52 HydrophobicContact CB-CH2 3.76Å; N33-W52 HydrophobicContact CB-CZ2 3.61Å; N33-W52 HydrophobicContact CB-CZ3 3.91Å; N33-W52 PolarHBondContact N-O 3.09Å; N33-W52 PolarHBondContact O-N 3.14Å; I35-W52 HydrophobicContact CB-CH2 4.23Å; I35-W52 HydrophobicContact CB-CZ3 3.81Å; I35-W52 HydrophobicContact CG2-CE3 4.32Å; I35-W52 HydrophobicContact CG2-CH2 4.32Å; I35-W52 HydrophobicContact CG2-CZ3 3.52Å; W52-V65 HydrophobicContact CB-CG1 4.07Å; W52-V65 HydrophobicContact CD2-CG1 4.4Å; W52-V65 HydrophobicContact CE3-CG1 4.41Å; W52-V65 HydrophobicContact CG-CG1 4.29Å; W52-L474 HydrophobicContact CH2-CD1 4.48Å; W52-L474 HydrophobicContact CH2-CD2 3.76Å; W52-L474 HydrophobicContact CZ2-CD1 4.33Å; W52-L474 HydrophobicContact CZ2-CD2 3.64Å
53Q83Confident83.8Confident113 Ų11344.6 Ų44.653%0.52824%0.241SC..EExtended strand (participates in β ladder)trans-111.1136.8169-66.1-178.3-11.300108K55Q53-K55 PolarHBondContact O-N 3.25Å; Q53-K55 VanDerWaalsContact O-N 3.12Å
54I72.1Confident83.6Confident86 Ų8646.6 Ų46.644%0.44125%0.247SC..  trans-64.6116.2174.7-63.3164.7000107.4A28 N33A28-I54 HydrophobicContact CB-CD1 4.43Å; N33-I54 WeakPolarHBondContact ND2-CG1 3.2Å
55K66.9Low83.3Confident109 Ų10947.2 Ų47.247%0.47425%0.251SS..  trans-100.5144.5173.2-67.3177.6-176.31740108.6Q53 E57 D64Q53-K55 PolarHBondContact O-N 3.25Å; Q53-K55 VanDerWaalsContact O-N 3.12Å; K55-E57 PolarHBondContact O-N 3.49Å; K55-D64 IonicContact NZ-OD2 2.73Å; K55-D64 PolarHBondContact NZ-OD2 2.94Å
56A59.5Low83Confident112 Ų11252.2 Ų52.293%0.92627%0.274SS*.SBendtrans-61.1-30.3177.600000112.6
57E64.6Low82.8Confident150 Ų15050.1 Ų50.170%0.70127%0.268SS*.  trans-139.6132.5178.7-65.8-173.116800111.6K55K55-E57 PolarHBondContact O-N 3.49Å
58S72.2Confident82.6Confident35 Ų3551.2 Ų51.225%0.24527%0.274CS..  trans-105.6124.6166.9171.80000110.8S60 G61 L62S58-S60 PolarHBondContact O-N 2.89Å; S58-S60 PolarHBondContact OG-N 2.96Å; S58-S60 PolarHBondContact OG-OG 3.46Å; S58-S60 VanDerWaalsContact OG-OG 3.09Å; S58-G61 PolarHBondContact O-N 3.35Å; S58-G61 VanDerWaalsContact O-N 3.15Å; S58-G61 PolarHBondContact OG-N 3.19Å; S58-G61 VanDerWaalsContact OG-N 3.08Å; S58-L62 VanDerWaalsContact CB-O 3.28Å; S58-L62 WeakPolarHBondContact CB-O 3.44Å; S58-L62 PolarHBondContact OG-N 3.21Å; S58-L62 PolarHBondContact OG-O 3.37Å
59L69.2Low82.5Confident119 Ų11957.1 Ų57.162%0.62330%0.299SS*.SBendtrans-63.6-26.9177-65.5176.4000113.2R231L59-R231 PolarHBondContact O-NE 3.08Å
60S75.5Confident82.3Confident17 Ų1758.3 Ų58.312%0.11931%0.306CS..SBendtrans-91-23.3175.355.60000112.3S58 L62 V229S58-S60 PolarHBondContact O-N 2.89Å; S58-S60 PolarHBondContact OG-N 2.96Å; S58-S60 PolarHBondContact OG-OG 3.46Å; S58-S60 VanDerWaalsContact OG-OG 3.09Å; S60-L62 VanDerWaalsContact C-N 3.32Å; S60-L62 PolarHBondContact OG-N 3.49Å; S60-L62 PolarHBondContact OG-O 2.86Å; S60-V229 WeakPolarHBondContact O-CG1 3.2Å
61G78.6Confident82.1Confident7 Ų765.3 Ų65.37%0.07235%0.348CS..SBendtrans82.69.8-166.800000114S58S58-G61 PolarHBondContact O-N 3.35Å; S58-G61 VanDerWaalsContact O-N 3.15Å; S58-G61 PolarHBondContact OG-N 3.19Å; S58-G61 VanDerWaalsContact OG-N 3.08Å
62L84.8Confident82Confident5 Ų571.8 Ų71.83%0.02638%0.382CS..SBendtrans-120.7151.5173.1-61173.5000110S58 S60 Y177 F182 F227 V229 L471 K475S58-L62 VanDerWaalsContact CB-O 3.28Å; S58-L62 WeakPolarHBondContact CB-O 3.44Å; S58-L62 PolarHBondContact OG-N 3.21Å; S58-L62 PolarHBondContact OG-O 3.37Å; S60-L62 VanDerWaalsContact C-N 3.32Å; S60-L62 PolarHBondContact OG-N 3.49Å; S60-L62 PolarHBondContact OG-O 2.86Å; L62-Y177 HydrophobicContact CB-CE2 4.45Å; L62-Y177 HydrophobicContact CD1-CD2 4.06Å; L62-F182 HydrophobicContact CD1-CD2 3.51Å; L62-F182 HydrophobicContact CD1-CE2 3.98Å; L62-F182 HydrophobicContact CD1-CG 4.23Å; L62-F227 HydrophobicContact CD1-CE1 4.43Å; L62-F227 HydrophobicContact CD1-CZ 4.26Å; L62-F227 HydrophobicContact CD2-CZ 4.04Å; L62-V229 HydrophobicContact CD1-CG2 4.47Å; L62-V229 HydrophobicContact CD2-CG1 4.11Å; L62-V229 HydrophobicContact CD2-CG2 4.36Å; L62-V229 HydrophobicContact CG-CG1 3.93Å; L62-V229 HydrophobicContact CG-CG2 4.46Å; L62-L471 HydrophobicContact CB-CD2 4.25Å; L62-K475 HydrophobicContact CD2-CB 4.05Å; L62-K475 HydrophobicContact CD2-CD 4.16Å; L62-K475 HydrophobicContact CD2-CG 4.23Å
63E84.2Confident82.1Confident39 Ų3972.7 Ų72.718%0.18240%0.399CS..  trans-60.9141.8175.8-67.8-62.9165.400112.1V65 Y177 L474E63-V65 HydrophobicContact CB-CG1 4Å; E63-V65 PolarHBondContact O-N 2.95Å; E63-Y177 PolarHBondContact O-OH 3.12Å; E63-L474 HydrophobicContact CB-CD1 4.02Å; E63-L474 HydrophobicContact CG-CD1 4.2Å
64D86Confident82.6Confident92 Ų9271.1 Ų71.149%0.49239%0.394SS..  trans-87.784.5177.9-170.421.5000109.3K55 Y177K55-D64 IonicContact NZ-OD2 2.73Å; K55-D64 PolarHBondContact NZ-OD2 2.94Å; D64-Y177 WeakPolarHBondContact CA-OH 3.36Å
65V90.4Very high83.6Confident13 Ų1370.4 Ų70.48%0.07940%0.395CS..  trans-92.8142.1-174.9-580000111.8W52 E63 Y177 L467 L470 L471 L474W52-V65 HydrophobicContact CB-CG1 4.07Å; W52-V65 HydrophobicContact CD2-CG1 4.4Å; W52-V65 HydrophobicContact CE3-CG1 4.41Å; W52-V65 HydrophobicContact CG-CG1 4.29Å; E63-V65 HydrophobicContact CB-CG1 4Å; E63-V65 PolarHBondContact O-N 2.95Å; V65-Y177 HydrophobicContact CG2-CE1 4.45Å; V65-Y177 PolarHBondContact N-OH 2.97Å; V65-Y177 VanDerWaalsContact N-OH 3.16Å; V65-L467 HydrophobicContact CG2-CD1 3.49Å; V65-L467 VanDerWaalsContact CG2-CD1 3.49Å; V65-L470 HydrophobicContact CB-CD2 4.06Å; V65-L470 HydrophobicContact CG1-CD2 4.01Å; V65-L470 HydrophobicContact CG2-CD2 3.91Å; V65-L471 HydrophobicContact CG2-CD2 4.02Å; V65-L474 HydrophobicContact CG1-CD1 3.79Å
66E90.5Very high85Confident105 Ų10565.2 Ų65.249%0.49137%0.373SS..EExtended strand (participates in β ladder)trans-129.6162.4170.367.1176.3162.400111.5Y50 T51Y50-E66 CarbonylContact C-O 3.53Å; Y50-E66 VanDerWaalsContact CA-O 3.27Å; Y50-E66 WeakPolarHBondContact CA-O 3.32Å; T51-E66 HydrophobicContact CG2-CG 3.83Å; T51-E66 PolarHBondContact N-O 2.99Å; T51-E66 PolarHBondContact O-N 3.28Å
67I92.7Very high86.7Confident22 Ų2261.2 Ų61.211%0.11334%0.337CS..EExtended strand (participates in β ladder)trans-75129.3171.7-63.5174.2000108.3F48 Y50 K69 P75 V77F48-I67 HydrophobicContact CD1-CD1 4.33Å; Y50-I67 HydrophobicContact CD1-CG1 3.87Å; Y50-I67 HydrophobicContact CE1-CD1 4.37Å; Y50-I67 HydrophobicContact CE1-CG1 3.59Å; I67-K69 PolarHBondContact O-N 3.03Å; I67-P75 HydrophobicContact CG2-CB 3.78Å; I67-V77 HydrophobicContact CD1-CG2 4.43Å; I67-V77 HydrophobicContact CG2-CG2 4.04Å
68L94.4Very high88.2Confident23 Ų2358.1 Ų58.112%0.1232%0.321CS..  trans-55.7137.1173.7179.465.1000109.5Y34 V49 T51 V76 H108 I109Y34-L68 HydrophobicContact CD1-CD1 4.45Å; Y34-L68 HydrophobicContact CD1-CD2 4.17Å; Y34-L68 HydrophobicContact CE1-CD1 3.96Å; Y34-L68 HydrophobicContact CE1-CD2 4.19Å; V49-L68 HydrophobicContact CB-CB 4.04Å; V49-L68 HydrophobicContact CB-CD2 4.18Å; V49-L68 HydrophobicContact CG1-CB 3.88Å; V49-L68 HydrophobicContact CG1-CD2 3.61Å; V49-L68 HydrophobicContact CG1-CG 4.4Å; V49-L68 WeakPolarHBondContact O-CB 3.23Å; V49-L68 PolarHBondContact O-N 3.23Å; T51-L68 HydrophobicContact CG2-CB 4.22Å; T51-L68 HydrophobicContact CG2-CD1 4.18Å; L68-V76 HydrophobicContact CB-CB 4.3Å; L68-V76 HydrophobicContact CB-CG2 4.23Å; L68-V76 HydrophobicContact CD2-CB 4.46Å; L68-V76 HydrophobicContact CD2-CG2 4.07Å; L68-V76 HydrophobicContact CG-CB 4.44Å; L68-V76 HydrophobicContact CG-CG2 3.9Å; L68-V76 WeakPolarHBondContact O-CB 3.38Å; L68-V76 WeakPolarHBondContact O-CG2 3.3Å; L68-V76 PolarHBondContact O-N 3.27Å; L68-H108 HydrophobicContact CD2-CB 4.32Å; L68-I109 HydrophobicContact CD2-CG1 4.45Å
69K93.6Very high89.3Confident123 Ų12361.6 Ų61.654%0.53533%0.332SS..BIsolated β-bridgetrans-106.8141.9174.7-67.1169.5-174.2155.50110.2I67 N74I67-K69 PolarHBondContact O-N 3.03Å; K69-N74 CarbonylContact C-O 3.54Å; K69-N74 VanDerWaalsContact CA-O 3.25Å; K69-N74 WeakPolarHBondContact CA-O 3.47Å
70D92.7Very high90.6Very high26 Ų2660.3 Ų60.314%0.13932%0.321CS..  trans-71.7-179.6171.771.913000111.4L72 G73 N74 V76D70-L72 PolarHBondContact O-N 3.36Å; D70-L72 VanDerWaalsContact O-N 3.12Å; D70-L72 VanDerWaalsContact OD1-CA 3.29Å; D70-L72 WeakPolarHBondContact OD1-CA 3.34Å; D70-L72 WeakPolarHBondContact OD1-CB 3.02Å; D70-L72 PolarHBondContact OD1-N 2.94Å; D70-G73 PolarHBondContact O-N 3.46Å; D70-G73 PolarHBondContact OD1-N 3.29Å; D70-N74 PolarHBondContact N-O 2.93Å; D70-N74 PolarHBondContact OD1-N 3.41Å; D70-N74 PolarHBondContact OD2-ND2 2.97Å; D70-V76 HydrophobicContact CB-CG2 4.26Å
71V90.3Very high91.5Very high149 Ų14963.4 Ų63.490%0.90334%0.343SS*.THydrogen-bonded Turntrans-63-16.6179.4-61.30000114.1
72L92.6Very high92.3Very high138 Ų13866.4 Ų66.472%0.72336%0.361SS*.THydrogen-bonded Turntrans-96.30.2176.3-59178.2000112.1D70 N74D70-L72 PolarHBondContact O-N 3.36Å; D70-L72 VanDerWaalsContact O-N 3.12Å; D70-L72 VanDerWaalsContact OD1-CA 3.29Å; D70-L72 WeakPolarHBondContact OD1-CA 3.34Å; D70-L72 WeakPolarHBondContact OD1-CB 3.02Å; D70-L72 PolarHBondContact OD1-N 2.94Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 WeakPolarHBondContact CB-ND2 3.2Å
73G91.8Very high92.8Very high43 Ų4366.2 Ų66.244%0.44336%0.36SS..SBendtrans82.36.6-177.700000114.3D70D70-G73 PolarHBondContact O-N 3.46Å; D70-G73 PolarHBondContact OD1-N 3.29Å
74N92.4Very high93.4Very high80 Ų8064.4 Ų64.443%0.42835%0.352SS..  trans-80.5142.5178.7-55.6-59.6000110.7K69 D70 L72 V76K69-N74 CarbonylContact C-O 3.54Å; K69-N74 VanDerWaalsContact CA-O 3.25Å; K69-N74 WeakPolarHBondContact CA-O 3.47Å; D70-N74 PolarHBondContact N-O 2.93Å; D70-N74 PolarHBondContact OD1-N 3.41Å; D70-N74 PolarHBondContact OD2-ND2 2.97Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 WeakPolarHBondContact CB-ND2 3.2Å; N74-V76 PolarHBondContact O-N 2.81Å
75P93.3Very high93.9Very high72 Ų7261 Ų6147%0.46834%0.335SS..BIsolated β-bridgetrans-57.1132173.4-2333.4000112I67 V77I67-P75 HydrophobicContact CG2-CB 3.78Å; P75-V77 HydrophobicContact CB-CG2 3.89Å; P75-V77 PolarHBondContact O-N 3.46Å
76V95.4Very high94.1Very high0 Ų063.2 Ų63.20%035%0.351CS..  trans-76.577.5174.6-176.30000108.7V49 L68 D70 N74 Y104 H108V49-V76 HydrophobicContact CB-CB 4.26Å; V49-V76 HydrophobicContact CB-CG1 4.07Å; V49-V76 HydrophobicContact CG2-CB 4.37Å; V49-V76 HydrophobicContact CG2-CG1 3.65Å; V49-V76 PolarHBondContact N-O 2.87Å; L68-V76 HydrophobicContact CB-CB 4.3Å; L68-V76 HydrophobicContact CB-CG2 4.23Å; L68-V76 HydrophobicContact CD2-CB 4.46Å; L68-V76 HydrophobicContact CD2-CG2 4.07Å; L68-V76 HydrophobicContact CG-CB 4.44Å; L68-V76 HydrophobicContact CG-CG2 3.9Å; L68-V76 WeakPolarHBondContact O-CB 3.38Å; L68-V76 WeakPolarHBondContact O-CG2 3.3Å; L68-V76 PolarHBondContact O-N 3.27Å; D70-V76 HydrophobicContact CB-CG2 4.26Å; N74-V76 PolarHBondContact O-N 2.81Å; V76-Y104 HydrophobicContact CB-CE1 4.46Å; V76-Y104 HydrophobicContact CG1-CD1 4.01Å; V76-Y104 HydrophobicContact CG1-CE1 3.78Å; V76-H108 HydrophobicContact CG1-CB 4Å; V76-H108 HydrophobicContact CG2-CB 4.17Å
77V95.3Very high94.4Very high28 Ų2859.2 Ų59.217%0.1733%0.332CS..EExtended strand (participates in β ladder)trans-127134.6-179.7-179.90000109.2M47 F48 I67 P75 K79M47-V77 CarbonylContact O-C 3.54Å; M47-V77 VanDerWaalsContact O-CA 3.29Å; M47-V77 WeakPolarHBondContact O-CA 3.34Å; F48-V77 HydrophobicContact CD1-CB 4.41Å; F48-V77 HydrophobicContact CD1-CG1 3.94Å; F48-V77 HydrophobicContact CD1-CG2 3.64Å; F48-V77 HydrophobicContact CE1-CG1 3.76Å; F48-V77 HydrophobicContact CE1-CG2 4.08Å; F48-V77 HydrophobicContact CZ-CG1 4.44Å; I67-V77 HydrophobicContact CD1-CG2 4.43Å; I67-V77 HydrophobicContact CG2-CG2 4.04Å; P75-V77 HydrophobicContact CB-CG2 3.89Å; P75-V77 PolarHBondContact O-N 3.46Å; V77-K79 HydrophobicContact CG1-CG 4.3Å
78K96.7Very high94.5Very high85 Ų8558.9 Ų58.937%0.3733%0.333SS..EExtended strand (participates in β ladder)trans-127.7130.4175.1-162.971.2170.6-170.30110.4R46 M47 L101 Y104R46-K78 CarbonylContact C-O 3.57Å; R46-K78 WeakPolarHBondContact CA-O 3.45Å; M47-K78 HydrophobicContact CB-CB 4.46Å; M47-K78 HydrophobicContact CE-CB 3.93Å; M47-K78 PolarHBondContact N-O 2.91Å; M47-K78 PolarHBondContact O-N 3.36Å; K78-L101 HydrophobicContact CB-CD2 4.12Å; K78-L101 HydrophobicContact CG-CD2 4.08Å; K78-L101 WeakPolarHBondContact O-CD2 3.08Å; K78-Y104 HydrophobicContact CB-CD1 4Å; K78-Y104 HydrophobicContact CB-CG 4.43Å; K78-Y104 HydrophobicContact CD-CD1 4.28Å; K78-Y104 HydrophobicContact CD-CG 4.18Å
79K95.8Very high94.4Very high108 Ų10864.9 Ų64.947%0.4737%0.365SS..EExtended strand (participates in β ladder)trans-114.9138.9-180-50.7-169.4175.3-179.40109.6S45 R46 V77 E462S45-K79 CarbonylContact O-C 3.56Å; S45-K79 WeakPolarHBondContact O-CA 3.12Å; R46-K79 HydrophobicContact CB-CG 4.41Å; R46-K79 HydrophobicContact CG-CB 4.22Å; R46-K79 HydrophobicContact CG-CD 3.89Å; R46-K79 HydrophobicContact CG-CG 3.68Å; V77-K79 HydrophobicContact CG1-CG 4.3Å; K79-E462 IonicContact NZ-OE1 3.55Å; K79-E462 PolarHBondContact NZ-OE1 3.19Å; K79-E462 IonicContact NZ-OE2 2.68Å
80K96.2Very high94.5Very high92 Ų9265 Ų6540%0.437%0.365SS..EExtended strand (participates in β ladder)trans-138131.7177.1-168.669.5177.6-178.70111G44 S45 Y97 A100 L101G44-K80 CarbonylContact C-O 3.51Å; G44-K80 WeakPolarHBondContact CA-O 3.5Å; S45-K80 PolarHBondContact N-O 3.39Å; S45-K80 PolarHBondContact O-N 2.92Å; K80-Y97 HydrophobicContact CB-CE2 4.01Å; K80-Y97 HydrophobicContact CG-CD2 3.72Å; K80-Y97 HydrophobicContact CG-CE2 3.43Å; K80-Y97 VanDerWaalsContact CG-CE2 3.43Å; K80-Y97 PolarHBondContact O-OH 2.84Å; K80-A100 HydrophobicContact CD-CB 4.5Å; K80-L101 HydrophobicContact CB-CD2 3.87Å; K80-L101 HydrophobicContact CB-CG 4.34Å
81S93.9Very high94.7Very high82 Ų8266.4 Ų66.457%0.57337%0.373SS*.SBendtrans-114.3152.2170.4-700000109.7S43S43-S81 PolarHBondContact O-OG 3.47Å
82P94.7Very high95Very high69 Ų6963.5 Ų63.545%0.44836%0.359SS..SBendcis-71.5-177.3-2.632.6-38.7000113.5S86 F87 Y97P82-S86 WeakPolarHBondContact CB-OG 3.35Å; P82-S86 WeakPolarHBondContact CG-OG 3.47Å; P82-F87 HydrophobicContact CG-CE2 4.06Å; P82-F87 HydrophobicContact CG-CZ 4.15Å; P82-Y97 WeakPolarHBondContact O-CE2 3.44Å; P82-Y97 VanDerWaalsContact O-CZ 3.31Å; P82-Y97 PolarHBondContact O-OH 3.22Å
83G95.2Very high95.2Very high2 Ų259.9 Ų59.92%0.02134%0.34CS..  trans-71155.517500000112.9G41 S85 S86G41-G83 VanDerWaalsContact O-CA 3.25Å; G41-G83 WeakPolarHBondContact O-CA 3.39Å; G83-S85 PolarHBondContact O-N 3.47Å; G83-S86 PolarHBondContact O-N 3.08Å; G83-S86 PolarHBondContact O-OG 2.91Å
84L97.7Very high95.5Very high1 Ų157.9 Ų57.91%0.00532%0.319CS..G310 helixtrans-54.3-31.8-175.3-179.460.4000113.8A40 S86 F87 Y97 M127 I138 W139 V142A40-L84 HydrophobicContact CB-CB 4Å; A40-L84 HydrophobicContact CB-CD2 3.93Å; L84-S86 PolarHBondContact O-N 3.28Å; L84-F87 WeakPolarHBondContact O-CD2 3.37Å; L84-F87 PolarHBondContact O-N 3.23Å; L84-Y97 HydrophobicContact CB-CE1 4.36Å; L84-Y97 HydrophobicContact CD1-CD1 4.17Å; L84-Y97 HydrophobicContact CD1-CE1 4.24Å; L84-M127 HydrophobicContact CG-SD 4.42Å; L84-I138 HydrophobicContact CD1-CG2 3.97Å; L84-I138 HydrophobicContact CD2-CG2 4.03Å; L84-I138 HydrophobicContact CG-CG2 3.84Å; L84-W139 HydrophobicContact CD2-CH2 4.25Å; L84-W139 HydrophobicContact CD2-CZ3 4.43Å; L84-V142 HydrophobicContact CD1-CG2 4.31Å; L84-V142 HydrophobicContact CD2-CG2 4.36Å
85S96Very high95.8Very high20 Ų2060.3 Ų60.314%0.1432%0.322CS..G310 helixtrans-66.3-17.9179.658.80000114.4G83 F87 G126G83-S85 PolarHBondContact O-N 3.47Å; S85-F87 PolarHBondContact O-N 3.29Å; S85-G126 WeakPolarHBondContact CB-O 3.39Å; S85-G126 WeakPolarHBondContact OG-CA 3.25Å; S85-G126 PolarHBondContact OG-O 2.87Å
86S95.3Very high96Very high60 Ų6062.7 Ų62.742%0.4233%0.332SS..G310 helixtrans-73.4-8.8176.966.60000113.6P82 G83 L84 A88P82-S86 WeakPolarHBondContact CB-OG 3.35Å; P82-S86 WeakPolarHBondContact CG-OG 3.47Å; G83-S86 PolarHBondContact O-N 3.08Å; G83-S86 PolarHBondContact O-OG 2.91Å; L84-S86 PolarHBondContact O-N 3.28Å; S86-A88 VanDerWaalsContact C-N 3.34Å
87F96.7Very high96.2Very high21 Ų2163 Ų639%0.09233%0.333CS..G310 helixtrans-91.87.8-178.5-64.2-88.6000113.2P82 L84 S85 D89 K90 L91 D93 I94 Y97P82-F87 HydrophobicContact CG-CE2 4.06Å; P82-F87 HydrophobicContact CG-CZ 4.15Å; L84-F87 WeakPolarHBondContact O-CD2 3.37Å; L84-F87 PolarHBondContact O-N 3.23Å; S85-F87 PolarHBondContact O-N 3.29Å; F87-D89 PolarHBondContact O-N 3.49Å; F87-K90 CarbonylContact O-C 3.43Å; F87-K90 VanDerWaalsContact O-C 3.24Å; F87-K90 PolarHBondContact O-N 2.79Å; F87-L91 PolarHBondContact O-N 2.91Å; F87-D93 HydrophobicContact CD1-CB 3.85Å; F87-D93 HydrophobicContact CE1-CB 3.87Å; F87-I94 HydrophobicContact CB-CD1 4.22Å; F87-I94 HydrophobicContact CB-CG1 3.7Å; F87-I94 HydrophobicContact CG-CG1 4.28Å; F87-Y97 HydrophobicContact CD2-CD2 4.46Å; F87-Y97 HydrophobicContact CE1-CD2 4.29Å; F87-Y97 HydrophobicContact CE2-CD1 4.37Å; F87-Y97 AromaticContact CE2-CD2 3.38Å; F87-Y97 HydrophobicContact CE2-CD2 3.38Å; F87-Y97 AromaticContact CE2-CE2 3.52Å; F87-Y97 HydrophobicContact CE2-CE2 3.52Å; F87-Y97 AromaticContact CE2-CG 3.81Å; F87-Y97 HydrophobicContact CE2-CG 3.81Å; F87-Y97 AromaticContact CZ-CD2 3.27Å; F87-Y97 HydrophobicContact CZ-CD2 3.27Å; F87-Y97 AromaticContact CZ-CE2 3.8Å; F87-Y97 HydrophobicContact CZ-CE2 3.8Å; F87-Y97 AromaticContact CZ-CG 3.83Å; F87-Y97 HydrophobicContact CZ-CG 3.83Å
88A93.7Very high96.3Very high15 Ų1561.9 Ų61.912%0.12433%0.325CS..THydrogen-bonded Turntrans-53.9-38.4178.200000112.9S86 L130 N134 I138S86-A88 VanDerWaalsContact C-N 3.34Å; A88-L130 HydrophobicContact CB-CD1 4.17Å; A88-L130 HydrophobicContact CB-CD2 4.34Å; A88-N134 HydrophobicContact CB-CB 4.25Å; A88-I138 HydrophobicContact CB-CD1 4.19Å
89D92.4Very high96.4Very high148 Ų14858.7 Ų58.779%0.79131%0.314SS*.THydrogen-bonded Turntrans-96.44.3178.7-55-42.8000113.1F87F87-D89 PolarHBondContact O-N 3.49Å
90K95.8Very high96.5Very high126 Ų12655.4 Ų55.455%0.54831%0.307SS..  trans-141.154-174.9-61.2-173.3-176.9-176.10111.6F87 S92 D93F87-K90 CarbonylContact O-C 3.43Å; F87-K90 VanDerWaalsContact O-C 3.24Å; F87-K90 PolarHBondContact O-N 2.79Å; K90-S92 PolarHBondContact O-N 2.88Å; K90-S92 VanDerWaalsContact O-N 3.15Å; K90-D93 PolarHBondContact O-N 2.78Å; K90-D93 VanDerWaalsContact O-N 3.09Å
91L97.7Very high96.6Very high56 Ų5651 Ų5129%0.29329%0.288SS..G310 helixtrans-60-27.8-172.8-60.6176.3000113.6F87 D93 I94 A137 I138F87-L91 PolarHBondContact O-N 2.91Å; L91-D93 VanDerWaalsContact C-N 3.25Å; L91-D93 PolarHBondContact O-N 3.31Å; L91-I94 HydrophobicContact CB-CD1 4.38Å; L91-I94 HydrophobicContact CD2-CD1 3.78Å; L91-I94 WeakPolarHBondContact O-CB 3.13Å; L91-I94 WeakPolarHBondContact O-CG1 3.43Å; L91-I94 PolarHBondContact O-N 2.84Å; L91-A137 HydrophobicContact CD1-CB 3.86Å; L91-A137 HydrophobicContact CD2-CB 4.1Å; L91-I138 HydrophobicContact CD2-CG1 3.91Å
92S96.2Very high96.8Very high87 Ų8747.2 Ų47.261%0.60826%0.261SS*.G310 helixtrans-58.8-36.3176.148.20000113K90 I94K90-S92 PolarHBondContact O-N 2.88Å; K90-S92 VanDerWaalsContact O-N 3.15Å; S92-I94 PolarHBondContact O-N 3.5Å
93D97.8Very high97Very high63 Ų6347.6 Ų47.634%0.33726%0.259SS..G310 helixtrans-81.5-9.2-170.6-54.3-0.3000111.5F87 K90 L91 R95 D96 Y97F87-D93 HydrophobicContact CD1-CB 3.85Å; F87-D93 HydrophobicContact CE1-CB 3.87Å; K90-D93 PolarHBondContact O-N 2.78Å; K90-D93 VanDerWaalsContact O-N 3.09Å; L91-D93 VanDerWaalsContact C-N 3.25Å; L91-D93 PolarHBondContact O-N 3.31Å; D93-R95 PolarHBondContact O-N 3.41Å; D93-D96 PolarHBondContact O-N 2.97Å; D93-Y97 WeakPolarHBondContact O-CB 3.29Å; D93-Y97 PolarHBondContact O-N 2.7Å
94I98.3Very high97.1Very high0 Ų050.4 Ų50.40%027%0.27CS..Hα-helixtrans-60.6-35.9178.6-67.7174.3000111F87 L91 S92 Y97 I98 I138 N141 V142F87-I94 HydrophobicContact CB-CD1 4.22Å; F87-I94 HydrophobicContact CB-CG1 3.7Å; F87-I94 HydrophobicContact CG-CG1 4.28Å; L91-I94 HydrophobicContact CB-CD1 4.38Å; L91-I94 HydrophobicContact CD2-CD1 3.78Å; L91-I94 WeakPolarHBondContact O-CB 3.13Å; L91-I94 WeakPolarHBondContact O-CG1 3.43Å; L91-I94 PolarHBondContact O-N 2.84Å; S92-I94 PolarHBondContact O-N 3.5Å; I94-Y97 PolarHBondContact O-N 2.89Å; I94-I98 HydrophobicContact CG2-CG1 4.13Å; I94-I98 WeakPolarHBondContact O-CB 3.34Å; I94-I98 VanDerWaalsContact O-CG1 3.3Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 2.87Å; I94-I138 HydrophobicContact CD1-CB 4.17Å; I94-I138 HydrophobicContact CD1-CG1 3.98Å; I94-I138 HydrophobicContact CD1-CG2 4.11Å; I94-N141 HydrophobicContact CB-CB 4.33Å; I94-N141 HydrophobicContact CD1-CB 3.96Å; I94-N141 HydrophobicContact CG2-CB 4.13Å; I94-V142 HydrophobicContact CG2-CG2 3.56Å
95R97.9Very high97.1Very high131 Ų13150.4 Ų50.449%0.49427%0.27SS..Hα-helixtrans-60.7-54.1179.6-64.3-177.1177.7-174.6-2.9110.7D93 Y97 I98 S99 H145D93-R95 PolarHBondContact O-N 3.41Å; R95-Y97 VanDerWaalsContact C-N 3.28Å; R95-Y97 PolarHBondContact O-N 3.47Å; R95-I98 PolarHBondContact O-N 3.37Å; R95-S99 WeakPolarHBondContact O-CB 3.48Å; R95-S99 PolarHBondContact O-N 3.41Å; R95-S99 PolarHBondContact O-OG 3.31Å; R95-H145 HydrophobicContact CG-CB 4.2Å; R95-H145 PolarHBondContact O-NE2 2.99Å
96D98.1Very high97.2Very high123 Ų12352.5 Ų52.566%0.65828%0.277SS*.Hα-helixtrans-63-37.4178.7-63.2-14.8000111.5D93 A100D93-D96 PolarHBondContact O-N 2.97Å; D96-A100 WeakPolarHBondContact O-CB 3.35Å; D96-A100 PolarHBondContact O-N 2.85Å
97Y98.4Very high97.3Very high7 Ų753.7 Ų53.73%0.02729%0.286CS..Hα-helixtrans-62.1-47.9176.8-176.4-94.4000112.6S45 K80 P82 L84 F87 D93 I94 R95 L101S45-Y97 VanDerWaalsContact CB-OH 3.23Å; S45-Y97 WeakPolarHBondContact CB-OH 3.43Å; S45-Y97 PolarHBondContact N-OH 3.4Å; S45-Y97 WeakPolarHBondContact OG-CE1 3.34Å; S45-Y97 PolarHBondContact OG-OH 3.44Å; K80-Y97 HydrophobicContact CB-CE2 4.01Å; K80-Y97 HydrophobicContact CG-CD2 3.72Å; K80-Y97 HydrophobicContact CG-CE2 3.43Å; K80-Y97 VanDerWaalsContact CG-CE2 3.43Å; K80-Y97 PolarHBondContact O-OH 2.84Å; P82-Y97 WeakPolarHBondContact O-CE2 3.44Å; P82-Y97 VanDerWaalsContact O-CZ 3.31Å; P82-Y97 PolarHBondContact O-OH 3.22Å; L84-Y97 HydrophobicContact CB-CE1 4.36Å; L84-Y97 HydrophobicContact CD1-CD1 4.17Å; L84-Y97 HydrophobicContact CD1-CE1 4.24Å; F87-Y97 HydrophobicContact CD2-CD2 4.46Å; F87-Y97 HydrophobicContact CE1-CD2 4.29Å; F87-Y97 HydrophobicContact CE2-CD1 4.37Å; F87-Y97 AromaticContact CE2-CD2 3.38Å; F87-Y97 HydrophobicContact CE2-CD2 3.38Å; F87-Y97 AromaticContact CE2-CE2 3.52Å; F87-Y97 HydrophobicContact CE2-CE2 3.52Å; F87-Y97 AromaticContact CE2-CG 3.81Å; F87-Y97 HydrophobicContact CE2-CG 3.81Å; F87-Y97 AromaticContact CZ-CD2 3.27Å; F87-Y97 HydrophobicContact CZ-CD2 3.27Å; F87-Y97 AromaticContact CZ-CE2 3.8Å; F87-Y97 HydrophobicContact CZ-CE2 3.8Å; F87-Y97 AromaticContact CZ-CG 3.83Å; F87-Y97 HydrophobicContact CZ-CG 3.83Å; D93-Y97 WeakPolarHBondContact O-CB 3.29Å; D93-Y97 PolarHBondContact O-N 2.7Å; I94-Y97 PolarHBondContact O-N 2.89Å; R95-Y97 VanDerWaalsContact C-N 3.28Å; R95-Y97 PolarHBondContact O-N 3.47Å; Y97-L101 HydrophobicContact CE1-CD1 4.31Å
98I98.5Very high97.2Very high3 Ų355.6 Ų55.62%0.01530%0.295CS..Hα-helixtrans-69.9-40.7178.6-66-62.6000110.6I94 R95 A100 L101 L102 V142 V146I94-I98 HydrophobicContact CG2-CG1 4.13Å; I94-I98 WeakPolarHBondContact O-CB 3.34Å; I94-I98 VanDerWaalsContact O-CG1 3.3Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 2.87Å; R95-I98 PolarHBondContact O-N 3.37Å; I98-A100 VanDerWaalsContact C-N 3.35Å; I98-A100 PolarHBondContact O-N 3.37Å; I98-L101 WeakPolarHBondContact O-CB 3.3Å; I98-L101 PolarHBondContact O-N 3.38Å; I98-L101 VanDerWaalsContact O-N 3.09Å; I98-L102 HydrophobicContact CG2-CD1 3.53Å; I98-L102 HydrophobicContact CG2-CG 4.01Å; I98-L102 PolarHBondContact O-N 2.81Å; I98-V142 HydrophobicContact CD1-CG1 4.29Å; I98-V142 HydrophobicContact CD1-CG2 4.24Å; I98-V142 HydrophobicContact CG1-CG1 4.43Å; I98-V142 HydrophobicContact CG1-CG2 4.18Å; I98-V146 HydrophobicContact CG2-CG2 4.06Å
99S98.5Very high97.3Very high19 Ų1955.1 Ų55.113%0.13329%0.29CS..Hα-helixtrans-63-39.6177.7-74.90000113.2R95 L101 L102 D103 H145 Y150R95-S99 WeakPolarHBondContact O-CB 3.48Å; R95-S99 PolarHBondContact O-N 3.41Å; R95-S99 PolarHBondContact O-OG 3.31Å; S99-L101 PolarHBondContact O-N 3.38Å; S99-L102 PolarHBondContact O-N 2.9Å; S99-D103 VanDerWaalsContact O-CB 3.3Å; S99-D103 WeakPolarHBondContact O-CB 3.36Å; S99-D103 PolarHBondContact O-N 2.96Å; S99-H145 PolarHBondContact OG-CE1 2.76Å; S99-H145 PolarHBondContact OG-NE2 3.12Å; S99-Y150 VanDerWaalsContact CA-OH 3.25Å; S99-Y150 WeakPolarHBondContact CA-OH 3.47Å; S99-Y150 WeakPolarHBondContact CB-OH 3.43Å; S99-Y150 PolarHBondContact OG-OH 3Å
100A97.9Very high97.4Very high38 Ų3850.6 Ų50.631%0.31427%0.269SS..Hα-helixtrans-57.6-19.1175.100000114.1K80 D96 I98K80-A100 HydrophobicContact CD-CB 4.5Å; D96-A100 WeakPolarHBondContact O-CB 3.35Å; D96-A100 PolarHBondContact O-N 2.85Å; I98-A100 VanDerWaalsContact C-N 3.35Å; I98-A100 PolarHBondContact O-N 3.37Å
101L98.4Very high97.3Very high1 Ų155 Ų551%0.00528%0.282CS..Hα-helixtrans-95.4-53.2173.6-63.2169.7000111.5V38 M47 K78 K80 Y97 I98 S99 Y104V38-L101 HydrophobicContact CG1-CD1 3.97Å; M47-L101 HydrophobicContact CB-CB 4Å; M47-L101 HydrophobicContact CB-CD2 4.15Å; M47-L101 VanDerWaalsContact CE-O 3.3Å; M47-L101 WeakPolarHBondContact CE-O 3.23Å; K78-L101 HydrophobicContact CB-CD2 4.12Å; K78-L101 HydrophobicContact CG-CD2 4.08Å; K78-L101 WeakPolarHBondContact O-CD2 3.08Å; K80-L101 HydrophobicContact CB-CD2 3.87Å; K80-L101 HydrophobicContact CB-CG 4.34Å; Y97-L101 HydrophobicContact CE1-CD1 4.31Å; I98-L101 WeakPolarHBondContact O-CB 3.3Å; I98-L101 PolarHBondContact O-N 3.38Å; I98-L101 VanDerWaalsContact O-N 3.09Å; S99-L101 PolarHBondContact O-N 3.38Å; L101-Y104 WeakPolarHBondContact O-CB 3.35Å; L101-Y104 PolarHBondContact O-N 2.87Å
102L98.6Very high97.1Very high1 Ų157.1 Ų57.11%0.00530%0.301CS..Hα-helixtrans-77.1-27.7-168.8-63.5-174.7000114I36 V38 M47 I98 S99 Y104 A105 E106 L119 I121 V146 Y150I36-L102 HydrophobicContact CG2-CD2 4.13Å; V38-L102 HydrophobicContact CG2-CD2 3.95Å; M47-L102 HydrophobicContact CG-CD2 4.36Å; I98-L102 HydrophobicContact CG2-CD1 3.53Å; I98-L102 HydrophobicContact CG2-CG 4.01Å; I98-L102 PolarHBondContact O-N 2.81Å; S99-L102 PolarHBondContact O-N 2.9Å; L102-Y104 PolarHBondContact O-N 3.29Å; L102-A105 WeakPolarHBondContact O-CB 3.5Å; L102-A105 PolarHBondContact O-N 3.46Å; L102-E106 PolarHBondContact O-N 3.43Å; L102-L119 HydrophobicContact CD1-CD2 3.73Å; L102-L119 HydrophobicContact CD2-CD1 3.71Å; L102-L119 HydrophobicContact CD2-CD2 4.22Å; L102-I121 HydrophobicContact CD1-CD1 4.42Å; L102-V146 HydrophobicContact CD1-CG2 3.99Å; L102-Y150 HydrophobicContact CB-CD1 4.41Å; L102-Y150 HydrophobicContact CB-CD2 4.38Å; L102-Y150 HydrophobicContact CB-CE1 3.82Å; L102-Y150 HydrophobicContact CB-CE2 3.8Å; L102-Y150 HydrophobicContact CD1-CD2 3.78Å; L102-Y150 HydrophobicContact CD1-CE2 3.61Å; L102-Y150 HydrophobicContact CG-CE2 4.34Å
103D98.4Very high96.9Very high78 Ų7854.4 Ų54.442%0.41728%0.282SS..Hα-helixtrans-62.3-31.4174.9-62.1-9.4000111S99 S107 Y150S99-D103 VanDerWaalsContact O-CB 3.3Å; S99-D103 WeakPolarHBondContact O-CB 3.36Å; S99-D103 PolarHBondContact O-N 2.96Å; D103-S107 WeakPolarHBondContact O-CB 3.14Å; D103-S107 PolarHBondContact O-N 2.83Å; D103-S107 VanDerWaalsContact O-N 3.09Å; D103-S107 PolarHBondContact O-OG 3.33Å; D103-Y150 WeakPolarHBondContact OD1-CE1 3.3Å; D103-Y150 PolarHBondContact OD1-OH 3.32Å
104Y97.3Very high96.8Very high61 Ų6152 Ų5224%0.23927%0.269CS..Hα-helixtrans-69.3-38.7174.3-167.1-112.5000111.8M47 V76 K78 L101 L102 S107 H108M47-Y104 HydrophobicContact CE-CD1 3.84Å; M47-Y104 HydrophobicContact CE-CG 4.48Å; V76-Y104 HydrophobicContact CB-CE1 4.46Å; V76-Y104 HydrophobicContact CG1-CD1 4.01Å; V76-Y104 HydrophobicContact CG1-CE1 3.78Å; K78-Y104 HydrophobicContact CB-CD1 4Å; K78-Y104 HydrophobicContact CB-CG 4.43Å; K78-Y104 HydrophobicContact CD-CD1 4.28Å; K78-Y104 HydrophobicContact CD-CG 4.18Å; L101-Y104 WeakPolarHBondContact O-CB 3.35Å; L101-Y104 PolarHBondContact O-N 2.87Å; L102-Y104 PolarHBondContact O-N 3.29Å; Y104-S107 PolarHBondContact O-OG 2.94Å; Y104-H108 AromaticContact CD2-CE1 3.75Å; Y104-H108 AromaticContact CE2-CE1 3.31Å; Y104-H108 WeakPolarHBondContact CE2-CE1 3.42Å; Y104-H108 AromaticContact CZ-CE1 3.59Å; Y104-H108 PolarHBondContact O-ND1 3.23Å
105A97.6Very high96.6Very high0 Ų055.2 Ų55.20%029%0.29CS..Hα-helixtrans-66.9-46.4173.800000111.4I36 M47 V49 L102 S107 H108 I109 F152I36-A105 HydrophobicContact CD1-CB 3.76Å; I36-A105 HydrophobicContact CG1-CB 4.14Å; I36-A105 HydrophobicContact CG2-CB 4.36Å; M47-A105 HydrophobicContact CE-CB 3.77Å; M47-A105 HydrophobicContact SD-CB 3.86Å; V49-A105 HydrophobicContact CG2-CB 3.75Å; L102-A105 WeakPolarHBondContact O-CB 3.5Å; L102-A105 PolarHBondContact O-N 3.46Å; A105-S107 VanDerWaalsContact C-N 3.27Å; A105-S107 PolarHBondContact O-N 3.36Å; A105-H108 PolarHBondContact O-N 3.37Å; A105-I109 WeakPolarHBondContact O-CG1 3.31Å; A105-I109 PolarHBondContact O-N 2.77Å; A105-F152 HydrophobicContact CB-CZ 4.48Å
106E97.6Very high96.3Very high64 Ų6454.9 Ų54.930%0.29930%0.298SS..Hα-helixtrans-59.6-37.1-178.6-170.1-178.9-129.200112.7L102 H108 Q114 F152L102-E106 PolarHBondContact O-N 3.43Å; E106-H108 VanDerWaalsContact C-N 3.28Å; E106-H108 PolarHBondContact O-N 3.28Å; E106-Q114 PolarHBondContact O-NE2 3.27Å; E106-Q114 VanDerWaalsContact O-NE2 3.08Å; E106-F152 HydrophobicContact CB-CE2 4.3Å; E106-F152 HydrophobicContact CB-CZ 3.9Å; E106-F152 HydrophobicContact CG-CZ 4.32Å
107S96.6Very high96.2Very high86 Ų8649 Ų4960%0.60127%0.267SS*.Hα-helixtrans-70.1-18.9177.152.40000114.6D103 Y104 A105D103-S107 WeakPolarHBondContact O-CB 3.14Å; D103-S107 PolarHBondContact O-N 2.83Å; D103-S107 VanDerWaalsContact O-N 3.09Å; D103-S107 PolarHBondContact O-OG 3.33Å; Y104-S107 PolarHBondContact O-OG 2.94Å; A105-S107 VanDerWaalsContact C-N 3.27Å; A105-S107 PolarHBondContact O-N 3.36Å
108H96Very high96.1Very high61 Ų6149.8 Ų49.828%0.28227%0.273SS..Hα-helixtrans-107-16.1-177.7-68.279.4000113.9L68 V76 Y104 A105 E106L68-H108 HydrophobicContact CD2-CB 4.32Å; V76-H108 HydrophobicContact CG1-CB 4Å; V76-H108 HydrophobicContact CG2-CB 4.17Å; Y104-H108 AromaticContact CD2-CE1 3.75Å; Y104-H108 AromaticContact CE2-CE1 3.31Å; Y104-H108 WeakPolarHBondContact CE2-CE1 3.42Å; Y104-H108 AromaticContact CZ-CE1 3.59Å; Y104-H108 PolarHBondContact O-ND1 3.23Å; A105-H108 PolarHBondContact O-N 3.37Å; E106-H108 VanDerWaalsContact C-N 3.28Å; E106-H108 PolarHBondContact O-N 3.28Å
109I95.4Very high96Very high5 Ų549.7 Ų49.73%0.02627%0.272CS..SBendtrans-94.8126.9178.1-62.3174.4000109.6Y34 I36 V49 L68 A105 R111 Q114 T117 F152Y34-I109 HydrophobicContact CD1-CG1 4.36Å; Y34-I109 HydrophobicContact CD2-CG2 4.22Å; Y34-I109 HydrophobicContact CG-CG2 4.16Å; I36-I109 HydrophobicContact CD1-CD1 3.78Å; I36-I109 HydrophobicContact CG1-CD1 3.74Å; V49-I109 HydrophobicContact CG1-CD1 3.72Å; V49-I109 HydrophobicContact CG1-CG1 3.97Å; V49-I109 HydrophobicContact CG2-CD1 4.31Å; L68-I109 HydrophobicContact CD2-CG1 4.45Å; A105-I109 WeakPolarHBondContact O-CG1 3.31Å; A105-I109 PolarHBondContact O-N 2.77Å; I109-R111 PolarHBondContact O-N 2.87Å; I109-Q114 HydrophobicContact CB-CG 4.36Å; I109-Q114 HydrophobicContact CG2-CG 3.94Å; I109-Q114 PolarHBondContact O-NE2 2.83Å; I109-Q114 VanDerWaalsContact O-NE2 3.11Å; I109-T117 HydrophobicContact CD1-CG2 3.8Å; I109-F152 HydrophobicContact CD1-CE1 4.06Å; I109-F152 HydrophobicContact CD1-CZ 4.48Å
110P94Very high96Very high52 Ų5249.5 Ų49.534%0.33827%0.269SS..  trans-53.4134.1178.9-26.234.1000112.2Y34 S112 S113 Q114Y34-P110 HydrophobicContact CE2-CG 4.47Å; P110-S112 PolarHBondContact O-N 2.84Å; P110-S113 WeakPolarHBondContact O-CA 3.36Å; P110-S113 WeakPolarHBondContact O-CB 3.39Å; P110-S113 PolarHBondContact O-N 3Å; P110-Q114 WeakPolarHBondContact O-CG 3.24Å; P110-Q114 PolarHBondContact O-N 2.81Å
111R93.4Very high96Very high220 Ų22047.7 Ų47.783%0.8325%0.254SS*.THydrogen-bonded Turntrans-52.9-34.6-177.2-76-174.9177.3161.60.3114I109 S113 P115I109-R111 PolarHBondContact O-N 2.87Å; R111-S113 VanDerWaalsContact C-N 3.29Å; R111-P115 WeakPolarHBondContact O-CD 3.47Å
112S93.3Very high96Very high99 Ų9947.6 Ų47.669%0.69225%0.254SS*.THydrogen-bonded Turntrans-69.5-25.7176.9520000113.5P110P110-S112 PolarHBondContact O-N 2.84Å
113S93.4Very high96Very high31 Ų3147.6 Ų47.622%0.21725%0.253CS..THydrogen-bonded Turntrans-90.9-21.6-179.4-59.30000112.8P110 R111 N116 T117P110-S113 WeakPolarHBondContact O-CA 3.36Å; P110-S113 WeakPolarHBondContact O-CB 3.39Å; P110-S113 PolarHBondContact O-N 3Å; R111-S113 VanDerWaalsContact C-N 3.29Å; S113-N116 CarbonylContact O-C 3.55Å; S113-N116 PolarHBondContact O-N 3.43Å; S113-N116 VanDerWaalsContact O-N 3.07Å; S113-T117 PolarHBondContact O-N 3.3Å; S113-T117 PolarHBondContact O-OG1 2.91Å
114Q95.1Very high95.9Very high12 Ų1244.2 Ų44.26%0.05624%0.235CC..G310 helixtrans-54.1-46.1-177.3-62.5177.9-1.200113.4E106 I109 P110 N116 T117 F152E106-Q114 PolarHBondContact O-NE2 3.27Å; E106-Q114 VanDerWaalsContact O-NE2 3.08Å; I109-Q114 HydrophobicContact CB-CG 4.36Å; I109-Q114 HydrophobicContact CG2-CG 3.94Å; I109-Q114 PolarHBondContact O-NE2 2.83Å; I109-Q114 VanDerWaalsContact O-NE2 3.11Å; P110-Q114 WeakPolarHBondContact O-CG 3.24Å; P110-Q114 PolarHBondContact O-N 2.81Å; Q114-N116 PolarHBondContact O-N 3.47Å; Q114-N116 VanDerWaalsContact O-N 3.09Å; Q114-T117 WeakPolarHBondContact O-CB 3.3Å; Q114-T117 PolarHBondContact O-N 3.25Å; Q114-F152 HydrophobicContact CB-CD1 4.04Å; Q114-F152 HydrophobicContact CB-CE1 3.99Å; Q114-F152 HydrophobicContact CG-CD1 4.39Å; Q114-F152 HydrophobicContact CG-CE1 3.83Å; Q114-F152 WeakPolarHBondContact O-CA 3.3Å
115P95.1Very high95.8Very high68 Ų6841.3 Ų41.344%0.44222%0.224SC..G310 helixtrans-58.9-24.2178.5-25.636.9000115.3R111 K151R111-P115 WeakPolarHBondContact O-CD 3.47Å; P115-K151 VanDerWaalsContact CA-O 3.28Å; P115-K151 WeakPolarHBondContact CA-O 3.3Å
116N91.7Very high95.6Very high123 Ų12341.5 Ų41.566%0.65823%0.226SC*.G310 helixtrans-107.511.4-179.1-60.2-33.9000112.4S113 Q114 P118S113-N116 CarbonylContact O-C 3.55Å; S113-N116 PolarHBondContact O-N 3.43Å; S113-N116 VanDerWaalsContact O-N 3.07Å; Q114-N116 PolarHBondContact O-N 3.47Å; Q114-N116 VanDerWaalsContact O-N 3.09Å; N116-P118 WeakPolarHBondContact O-CD 3.49Å
117T94.9Very high95.6Very high1 Ų138.5 Ų38.51%0.00621%0.212CC..  trans-96.8110.6178.3-63.60000108.5I36 I109 S113 Q114 F152 Q153I36-T117 HydrophobicContact CD1-CG2 4.02Å; I36-T117 HydrophobicContact CG1-CG2 3.9Å; I109-T117 HydrophobicContact CD1-CG2 3.8Å; S113-T117 PolarHBondContact O-N 3.3Å; S113-T117 PolarHBondContact O-OG1 2.91Å; Q114-T117 WeakPolarHBondContact O-CB 3.3Å; Q114-T117 PolarHBondContact O-N 3.25Å; T117-F152 HydrophobicContact CG2-CD1 4.02Å; T117-F152 HydrophobicContact CG2-CE1 4.36Å; T117-Q153 PolarHBondContact O-N 2.96Å
118P95.9Very high95.6Very high23 Ų2336.7 Ų36.715%0.14919%0.192CC..BIsolated β-bridgetrans-65.3139.5176.4-19.733.4000111.4Y34 I35 I36 N116 F120 Q153Y34-P118 VanDerWaalsContact O-CD 3.28Å; Y34-P118 WeakPolarHBondContact O-CD 3.48Å; I35-P118 HydrophobicContact CD1-CB 4.06Å; I35-P118 HydrophobicContact CD1-CG 4.35Å; I35-P118 HydrophobicContact CG1-CB 4.14Å; I36-P118 PolarHBondContact N-O 2.92Å; N116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-F120 HydrophobicContact CB-CD2 4.4Å; P118-F120 HydrophobicContact CB-CE2 3.72Å; P118-F120 HydrophobicContact CB-CZ 4.45Å; P118-Q153 WeakPolarHBondContact CA-O 3.31Å
119L97.7Very high95.5Very high0 Ų038.2 Ų38.20%020%0.202CC..EExtended strand (participates in β ladder)trans-118.7117.8174.7167.660.6000110.4I36 V38 L102 I121 V146 F152 Q153 F154 Y158I36-L119 HydrophobicContact CB-CB 4.47Å; I36-L119 HydrophobicContact CB-CD1 3.68Å; I36-L119 HydrophobicContact CD1-CD1 4.49Å; I36-L119 HydrophobicContact CG2-CD1 3.49Å; I36-L119 VanDerWaalsContact CG2-CD1 3.49Å; I36-L119 WeakPolarHBondContact O-CA 3.36Å; V38-L119 HydrophobicContact CG2-CD1 4.4Å; L102-L119 HydrophobicContact CD1-CD2 3.73Å; L102-L119 HydrophobicContact CD2-CD1 3.71Å; L102-L119 HydrophobicContact CD2-CD2 4.22Å; L119-I121 HydrophobicContact CD1-CG1 4.06Å; L119-I121 HydrophobicContact CG-CG1 4.35Å; L119-V146 HydrophobicContact CD2-CG1 3.55Å; L119-F152 HydrophobicContact CB-CB 3.97Å; L119-F152 HydrophobicContact CD2-CB 4.4Å; L119-F152 HydrophobicContact CD2-CD2 4.06Å; L119-Q153 PolarHBondContact N-O 3.25Å; L119-F154 HydrophobicContact CB-CD2 4.32Å; L119-F154 HydrophobicContact CD2-CD2 4.26Å; L119-F154 HydrophobicContact CG-CD2 4.13Å; L119-F154 WeakPolarHBondContact O-CD2 3.44Å; L119-Y158 WeakPolarHBondContact O-CB 3.45Å
120F98.1Very high95.4Very high15 Ų1539.8 Ų39.87%0.06621%0.21CC..EExtended strand (participates in β ladder)trans-110.7133.9173.1-64.2-85.6000110.9I35 I36 I37 V38 P118 M122 Y158 K473I35-F120 HydrophobicContact CD1-CD2 3.92Å; I35-F120 HydrophobicContact CD1-CE2 3.65Å; I35-F120 HydrophobicContact CG1-CD2 4.19Å; I35-F120 HydrophobicContact CG1-CE2 4.32Å; I36-F120 PolarHBondContact O-N 3.34Å; I37-F120 CarbonylContact C-O 3.58Å; I37-F120 WeakPolarHBondContact CA-O 3.46Å; I37-F120 HydrophobicContact CG1-CB 4.41Å; V38-F120 PolarHBondContact N-O 2.83Å; P118-F120 HydrophobicContact CB-CD2 4.4Å; P118-F120 HydrophobicContact CB-CE2 3.72Å; P118-F120 HydrophobicContact CB-CZ 4.45Å; F120-M122 HydrophobicContact CB-CE 4.09Å; F120-Y158 HydrophobicContact CD1-CD1 4.13Å; F120-Y158 HydrophobicContact CD1-CD2 4.09Å; F120-Y158 AromaticContact CD1-CG 3.69Å; F120-Y158 HydrophobicContact CD1-CG 3.69Å; F120-Y158 AromaticContact CE1-CD1 3.49Å; F120-Y158 HydrophobicContact CE1-CD1 3.49Å; F120-Y158 VanDerWaalsContact CE1-CD1 3.49Å; F120-Y158 AromaticContact CE1-CD2 3.64Å; F120-Y158 HydrophobicContact CE1-CD2 3.64Å; F120-Y158 AromaticContact CE1-CE1 3.92Å; F120-Y158 HydrophobicContact CE1-CE1 3.92Å; F120-Y158 HydrophobicContact CE1-CE2 4.01Å; F120-Y158 AromaticContact CE1-CG 3.37Å; F120-Y158 HydrophobicContact CE1-CG 3.37Å; F120-Y158 HydrophobicContact CE2-CD2 4.49Å; F120-Y158 HydrophobicContact CZ-CD1 4.27Å; F120-Y158 AromaticContact CZ-CD2 3.87Å; F120-Y158 HydrophobicContact CZ-CD2 3.87Å; F120-Y158 HydrophobicContact CZ-CE1 4.32Å; F120-Y158 AromaticContact CZ-CE2 3.88Å; F120-Y158 HydrophobicContact CZ-CE2 3.88Å; F120-Y158 HydrophobicContact CZ-CG 4.09Å; F120-K473 HydrophobicContact CD1-CD 3.78Å; F120-K473 HydrophobicContact CD2-CD 4.39Å; F120-K473 HydrophobicContact CE1-CD 3.57Å; F120-K473 HydrophobicContact CE2-CD 4.2Å; F120-K473 HydrophobicContact CG-CD 4.19Å; F120-K473 HydrophobicContact CZ-CD 3.8Å
121I98.5Very high95.4Very high0 Ų041.3 Ų41.30%022%0.219CC..EExtended strand (participates in β ladder)trans-124.7101.6174-54.3179.2000107.9V38 L102 L119 W139 V142 V146 Y158 A159 Y160V38-I121 HydrophobicContact CB-CB 4.31Å; V38-I121 HydrophobicContact CB-CG1 4.1Å; V38-I121 HydrophobicContact CB-CG2 4.09Å; V38-I121 HydrophobicContact CG1-CG2 4.24Å; V38-I121 HydrophobicContact CG2-CG1 4.06Å; L102-I121 HydrophobicContact CD1-CD1 4.42Å; L119-I121 HydrophobicContact CD1-CG1 4.06Å; L119-I121 HydrophobicContact CG-CG1 4.35Å; I121-W139 HydrophobicContact CB-CZ3 4.45Å; I121-W139 HydrophobicContact CG2-CH2 4.25Å; I121-W139 HydrophobicContact CG2-CZ3 4Å; I121-W139 WeakPolarHBondContact O-CH2 3.28Å; I121-V142 HydrophobicContact CD1-CG1 3.83Å; I121-V142 HydrophobicContact CG2-CG1 4.41Å; I121-V146 HydrophobicContact CD1-CG2 3.73Å; I121-Y158 PolarHBondContact N-O 3.48Å; I121-A159 HydrophobicContact CB-CB 4.27Å; I121-A159 CarbonylContact O-C 3.55Å; I121-A159 WeakPolarHBondContact O-CA 3.35Å; I121-Y160 PolarHBondContact O-N 3.22Å; I121-Y160 VanDerWaalsContact O-N 3.08Å
122M98.3Very high95.5Very high0 Ų036.4 Ų36.40%021%0.205CC..EExtended strand (participates in β ladder)trans-117.6119.6-171.1-70.2176.9-67.300109.3I37 V38 A40 F120 Y160 I162 W465 A469 K473I37-M122 HydrophobicContact CG2-CE 3.58Å; V38-M122 PolarHBondContact O-N 3.45Å; A40-M122 PolarHBondContact N-O 2.94Å; F120-M122 HydrophobicContact CB-CE 4.09Å; M122-Y160 WeakPolarHBondContact CA-O 3.28Å; M122-Y160 HydrophobicContact CG-CD1 4.29Å; M122-Y160 HydrophobicContact CG-CE1 3.81Å; M122-Y160 HydrophobicContact SD-CE1 4.21Å; M122-I162 HydrophobicContact CB-CG2 3.92Å; M122-I162 HydrophobicContact CG-CG2 4.06Å; M122-I162 HydrophobicContact SD-CG2 4.1Å; M122-W465 HydrophobicContact CB-CH2 3.57Å; M122-W465 HydrophobicContact CB-CZ3 4.33Å; M122-W465 HydrophobicContact CE-CH2 4.05Å; M122-W465 HydrophobicContact CE-CZ3 3.9Å; M122-W465 HydrophobicContact SD-CH2 4.35Å; M122-W465 HydrophobicContact SD-CZ3 4.19Å; M122-A469 HydrophobicContact CE-CB 3.8Å; M122-A469 HydrophobicContact SD-CB 4.35Å; M122-K473 VanDerWaalsContact SD-CE 3.52Å
123A98.1Very high95.7Very high0 Ų036.8 Ų36.80%020%0.204CC..EExtended strand (participates in β ladder)trans-99.3148.8-179.300000112.5A40 M127 W139 Y160 T161 I162A40-A123 HydrophobicContact CB-CB 3.73Å; A40-A123 VanDerWaalsContact O-CA 3.27Å; A40-A123 WeakPolarHBondContact O-CA 3.48Å; A40-A123 WeakPolarHBondContact O-CB 3.23Å; A123-M127 HydrophobicContact CB-CB 3.93Å; A123-M127 HydrophobicContact CB-CG 3.39Å; A123-W139 HydrophobicContact CB-CH2 3.81Å; A123-W139 HydrophobicContact CB-CZ2 3.51Å; A123-Y160 PolarHBondContact N-O 2.84Å; A123-T161 CarbonylContact O-C 3.59Å; A123-T161 WeakPolarHBondContact O-CA 3.19Å; A123-I162 WeakPolarHBondContact O-CG1 3.25Å; A123-I162 PolarHBondContact O-N 3.01Å
124T96.9Very high95.9Very high7 Ų737.8 Ų37.84%0.04321%0.207CC..  trans-107-143.6-175.574.90000112.3A40 G126 M127 R128 I162 E167 W465A40-T124 PolarHBondContact O-N 2.55Å; A40-T124 VanDerWaalsContact O-N 3.11Å; T124-G126 PolarHBondContact O-N 2.98Å; T124-G126 VanDerWaalsContact O-N 3.16Å; T124-M127 PolarHBondContact O-N 2.92Å; T124-M127 VanDerWaalsContact O-N 3.13Å; T124-R128 PolarHBondContact O-N 3.25Å; T124-I162 HydrophobicContact CG2-CD1 4.17Å; T124-I162 HydrophobicContact CG2-CG1 4.26Å; T124-E167 VanDerWaalsContact CB-OE1 3.26Å; T124-E167 WeakPolarHBondContact CB-OE1 3.45Å; T124-E167 HydrophobicContact CG2-CG 4.48Å; T124-E167 WeakPolarHBondContact CG2-OE1 3.36Å; T124-W465 HydrophobicContact CG2-CH2 4.4Å; T124-W465 HydrophobicContact CG2-CZ2 3.46Å; T124-W465 VanDerWaalsContact CG2-CZ2 3.46Å
125A94.9Very high96Very high1 Ų138.2 Ų38.21%0.00821%0.208CC..Hα-helixtrans-61.6-27.3-168.100000114.6M127 R128 L129 A205 S206 L248A125-M127 VanDerWaalsContact C-N 3.27Å; A125-M127 PolarHBondContact O-N 2.91Å; A125-R128 VanDerWaalsContact CA-NH2 3.34Å; A125-R128 PolarHBondContact O-N 2.71Å; A125-R128 VanDerWaalsContact O-N 3.16Å; A125-L129 WeakPolarHBondContact O-CG 3.29Å; A125-L129 PolarHBondContact O-N 3.01Å; A125-L129 VanDerWaalsContact O-N 3.1Å; A125-A205 HydrophobicContact CB-CB 3.55Å; A125-S206 WeakPolarHBondContact CB-OG 3.39Å; A125-L248 HydrophobicContact CB-CD1 3.66Å
126G93.2Very high96.1Very high4 Ų438.2 Ų38.24%0.04121%0.205CC..Hα-helixtrans-55-45.2175.100000111.9S85 T124 L129S85-G126 WeakPolarHBondContact CB-O 3.39Å; S85-G126 WeakPolarHBondContact OG-CA 3.25Å; S85-G126 PolarHBondContact OG-O 2.87Å; T124-G126 PolarHBondContact O-N 2.98Å; T124-G126 VanDerWaalsContact O-N 3.16Å; G126-L129 PolarHBondContact O-N 3.02Å
127M97.3Very high96.4Very high1 Ų133.1 Ų33.11%0.00518%0.18CC..Hα-helixtrans-72.7-36.4177.4-73.9-67.5-75.300112.1L84 A123 T124 A125 L129 L130 Q135 I138 W139 T161L84-M127 HydrophobicContact CG-SD 4.42Å; A123-M127 HydrophobicContact CB-CB 3.93Å; A123-M127 HydrophobicContact CB-CG 3.39Å; T124-M127 PolarHBondContact O-N 2.92Å; T124-M127 VanDerWaalsContact O-N 3.13Å; A125-M127 VanDerWaalsContact C-N 3.27Å; A125-M127 PolarHBondContact O-N 2.91Å; M127-L129 PolarHBondContact O-N 3.15Å; M127-L130 WeakPolarHBondContact O-CB 3.38Å; M127-L130 PolarHBondContact O-N 2.9Å; M127-L130 HydrophobicContact SD-CD1 3.76Å; M127-Q135 HydrophobicContact CE-CB 4.07Å; M127-Q135 HydrophobicContact CE-CG 4.06Å; M127-Q135 WeakPolarHBondContact O-CG 3.21Å; M127-Q135 PolarHBondContact O-NE2 2.89Å; M127-Q135 VanDerWaalsContact O-NE2 3.12Å; M127-I138 HydrophobicContact CE-CB 3.89Å; M127-I138 HydrophobicContact CE-CD1 3.95Å; M127-I138 HydrophobicContact CE-CG2 3.67Å; M127-I138 HydrophobicContact SD-CD1 3.64Å; M127-I138 HydrophobicContact SD-CG2 4.15Å; M127-W139 HydrophobicContact CE-CZ2 4.29Å; M127-T161 HydrophobicContact CB-CG2 3.75Å
128R96.4Very high96.6Very high47 Ų4733 Ų3318%0.17718%0.179CC..Hα-helixtrans-62.7-21176.1-69.8179.1-88.3150.6-5114T124 A125 L130 T161 I162 E167 S246 L248T124-R128 PolarHBondContact O-N 3.25Å; A125-R128 VanDerWaalsContact CA-NH2 3.34Å; A125-R128 PolarHBondContact O-N 2.71Å; A125-R128 VanDerWaalsContact O-N 3.16Å; R128-L130 VanDerWaalsContact C-N 3.3Å; R128-T161 HydrophobicContact CG-CG2 3.57Å; R128-I162 PolarHBondContact NE-O 3.45Å; R128-E167 IonicContact CZ-OE2 2.77Å; R128-E167 IonicContact NH2-OE2 3.34Å; R128-E167 PolarHBondContact NH2-OE2 2.84Å; R128-S246 PolarHBondContact NH1-OG 3.1Å; R128-L248 HydrophobicContact CB-CD1 4.17Å; R128-L248 HydrophobicContact CB-CD2 4.12Å
129L93.1Very high96.7Very high93 Ų9332.3 Ų32.349%0.48717%0.174SC..THydrogen-bonded Turntrans-79.3-11.3174.4-69.1174.3000113.4A125 G126 M127 A205 L248A125-L129 WeakPolarHBondContact O-CG 3.29Å; A125-L129 PolarHBondContact O-N 3.01Å; A125-L129 VanDerWaalsContact O-N 3.1Å; G126-L129 PolarHBondContact O-N 3.02Å; M127-L129 PolarHBondContact O-N 3.15Å; L129-A205 HydrophobicContact CD1-CB 3.81Å; L129-L248 HydrophobicContact CD2-CD1 4.02Å; L129-L248 HydrophobicContact CD2-CD2 4.29Å; L129-L248 HydrophobicContact CD2-CG 4.04Å; L129-L248 HydrophobicContact CG-CD1 4.21Å
130L93.5Very high96.8Very high39 Ų3940 Ų4020%0.20420%0.202CC..SBendtrans-88.3154.7178.7-57.8-178.3000111.6A88 M127 R128 N134 Q135 I138A88-L130 HydrophobicContact CB-CD1 4.17Å; A88-L130 HydrophobicContact CB-CD2 4.34Å; M127-L130 WeakPolarHBondContact O-CB 3.38Å; M127-L130 PolarHBondContact O-N 2.9Å; M127-L130 HydrophobicContact SD-CD1 3.76Å; R128-L130 VanDerWaalsContact C-N 3.3Å; L130-N134 HydrophobicContact CB-CB 4.19Å; L130-N134 HydrophobicContact CD1-CB 4.42Å; L130-Q135 HydrophobicContact CB-CG 3.84Å; L130-Q135 PolarHBondContact O-NE2 2.95Å; L130-Q135 VanDerWaalsContact O-NE2 3.13Å; L130-I138 HydrophobicContact CD1-CD1 3.58Å
131T95.1Very high96.8Very high84 Ų8441 Ų4152%0.51521%0.209SC..  trans-61.1152.9167.7630000110.6T133 N134 Q135T131-T133 VanDerWaalsContact C-N 3.26Å; T131-T133 PolarHBondContact O-N 3.31Å; T131-N134 PolarHBondContact O-N 3.2Å; T131-N134 VanDerWaalsContact O-N 3.09Å; T131-N134 PolarHBondContact OG1-N 3.43Å; T131-Q135 PolarHBondContact O-N 3.24Å
132Q95.1Very high96.8Very high117 Ų11741 Ų4155%0.54721%0.209SC..Hα-helixtrans-56.7-41.5179.7-169.860.948.400111.9N134 Q135 D136Q132-N134 VanDerWaalsContact C-N 3.32Å; Q132-N134 PolarHBondContact O-N 3Å; Q132-Q135 PolarHBondContact O-N 3.37Å; Q132-Q135 VanDerWaalsContact O-N 3.17Å; Q132-D136 PolarHBondContact NE2-OD1 3.38Å; Q132-D136 WeakPolarHBondContact O-CB 3.37Å; Q132-D136 PolarHBondContact O-N 3.07Å
133T97.3Very high96.8Very high107 Ų10744.1 Ų44.166%0.65622%0.221SC*.Hα-helixtrans-55.8-44176.2-50.80000112.6T131 A137T131-T133 VanDerWaalsContact C-N 3.26Å; T131-T133 PolarHBondContact O-N 3.31Å; T133-A137 WeakPolarHBondContact O-CB 3.3Å; T133-A137 PolarHBondContact O-N 2.82Å
134N97Very high96.8Very high52 Ų5247.2 Ų47.228%0.27824%0.242SC..Hα-helixtrans-71.1-38.9179.2-740.7000111.4A88 L130 T131 Q132 A137 I138A88-N134 HydrophobicContact CB-CB 4.25Å; L130-N134 HydrophobicContact CB-CB 4.19Å; L130-N134 HydrophobicContact CD1-CB 4.42Å; T131-N134 PolarHBondContact O-N 3.2Å; T131-N134 VanDerWaalsContact O-N 3.09Å; T131-N134 PolarHBondContact OG1-N 3.43Å; Q132-N134 VanDerWaalsContact C-N 3.32Å; Q132-N134 PolarHBondContact O-N 3Å; N134-A137 PolarHBondContact O-N 3.44Å; N134-I138 WeakPolarHBondContact O-CG1 3.47Å; N134-I138 PolarHBondContact O-N 2.78Å; N134-I138 VanDerWaalsContact O-N 3.08Å
135Q97.6Very high96.9Very high20 Ų2047.7 Ų47.79%0.09324%0.244CC..Hα-helixtrans-61.1-46.7173.8-66.5-170.759.800111.4M127 L130 T131 Q132 A137 I138 W139 T161M127-Q135 HydrophobicContact CE-CB 4.07Å; M127-Q135 HydrophobicContact CE-CG 4.06Å; M127-Q135 WeakPolarHBondContact O-CG 3.21Å; M127-Q135 PolarHBondContact O-NE2 2.89Å; M127-Q135 VanDerWaalsContact O-NE2 3.12Å; L130-Q135 HydrophobicContact CB-CG 3.84Å; L130-Q135 PolarHBondContact O-NE2 2.95Å; L130-Q135 VanDerWaalsContact O-NE2 3.13Å; T131-Q135 PolarHBondContact O-N 3.24Å; Q132-Q135 PolarHBondContact O-N 3.37Å; Q132-Q135 VanDerWaalsContact O-N 3.17Å; Q135-A137 VanDerWaalsContact C-N 3.33Å; Q135-A137 PolarHBondContact O-N 3.45Å; Q135-I138 PolarHBondContact O-N 3.44Å; Q135-W139 PolarHBondContact O-N 3.3Å; Q135-T161 PolarHBondContact OE1-OG1 3Å
136D98Very high97Very high68 Ų6847.8 Ų47.836%0.36424%0.244SC..Hα-helixtrans-63.1-39.6179.9-66.6-16.8000111.7Q132 W139 R140Q132-D136 PolarHBondContact NE2-OD1 3.38Å; Q132-D136 WeakPolarHBondContact O-CB 3.37Å; Q132-D136 PolarHBondContact O-N 3.07Å; D136-W139 PolarHBondContact O-N 2.89Å; D136-R140 VanDerWaalsContact O-CB 3.26Å; D136-R140 WeakPolarHBondContact O-CB 3.4Å; D136-R140 PolarHBondContact O-N 3.41Å
137A98.4Very high97.3Very high16 Ų1652.9 Ų52.913%0.13227%0.265CS..Hα-helixtrans-62.9-43.5176.200000112.3L91 T133 N134 Q135 N141L91-A137 HydrophobicContact CD1-CB 3.86Å; L91-A137 HydrophobicContact CD2-CB 4.1Å; T133-A137 WeakPolarHBondContact O-CB 3.3Å; T133-A137 PolarHBondContact O-N 2.82Å; N134-A137 PolarHBondContact O-N 3.44Å; Q135-A137 VanDerWaalsContact C-N 3.33Å; Q135-A137 PolarHBondContact O-N 3.45Å; A137-N141 PolarHBondContact O-N 3.33Å; A137-N141 PolarHBondContact O-ND2 2.89Å
138I98.6Very high97.3Very high0 Ų057.2 Ų57.20%030%0.296CS..Hα-helixtrans-63.4-52.3174.8-70.6168.8000110.2L84 A88 L91 I94 M127 L130 N134 Q135 R140 N141 V142L84-I138 HydrophobicContact CD1-CG2 3.97Å; L84-I138 HydrophobicContact CD2-CG2 4.03Å; L84-I138 HydrophobicContact CG-CG2 3.84Å; A88-I138 HydrophobicContact CB-CD1 4.19Å; L91-I138 HydrophobicContact CD2-CG1 3.91Å; I94-I138 HydrophobicContact CD1-CB 4.17Å; I94-I138 HydrophobicContact CD1-CG1 3.98Å; I94-I138 HydrophobicContact CD1-CG2 4.11Å; M127-I138 HydrophobicContact CE-CB 3.89Å; M127-I138 HydrophobicContact CE-CD1 3.95Å; M127-I138 HydrophobicContact CE-CG2 3.67Å; M127-I138 HydrophobicContact SD-CD1 3.64Å; M127-I138 HydrophobicContact SD-CG2 4.15Å; L130-I138 HydrophobicContact CD1-CD1 3.58Å; N134-I138 WeakPolarHBondContact O-CG1 3.47Å; N134-I138 PolarHBondContact O-N 2.78Å; N134-I138 VanDerWaalsContact O-N 3.08Å; Q135-I138 PolarHBondContact O-N 3.44Å; I138-R140 VanDerWaalsContact C-N 3.3Å; I138-R140 PolarHBondContact O-N 3.42Å; I138-N141 PolarHBondContact O-N 2.89Å; I138-N141 VanDerWaalsContact O-N 3.07Å; I138-V142 HydrophobicContact CG2-CG2 4.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 3.46Å
139W98.6Very high97.3Very high8 Ų858 Ų583%0.0331%0.306CS..Hα-helixtrans-62.9-36-176.6-75.9126.3000113L84 I121 A123 M127 Q135 D136 N141 V142 R143 A159 Y160 T161L84-W139 HydrophobicContact CD2-CH2 4.25Å; L84-W139 HydrophobicContact CD2-CZ3 4.43Å; I121-W139 HydrophobicContact CB-CZ3 4.45Å; I121-W139 HydrophobicContact CG2-CH2 4.25Å; I121-W139 HydrophobicContact CG2-CZ3 4Å; I121-W139 WeakPolarHBondContact O-CH2 3.28Å; A123-W139 HydrophobicContact CB-CH2 3.81Å; A123-W139 HydrophobicContact CB-CZ2 3.51Å; M127-W139 HydrophobicContact CE-CZ2 4.29Å; Q135-W139 PolarHBondContact O-N 3.3Å; D136-W139 PolarHBondContact O-N 2.89Å; W139-N141 VanDerWaalsContact C-N 3.33Å; W139-N141 PolarHBondContact O-N 3.19Å; W139-V142 HydrophobicContact CE3-CB 4.15Å; W139-V142 HydrophobicContact CE3-CG1 4.23Å; W139-V142 HydrophobicContact CE3-CG2 4.41Å; W139-V142 HydrophobicContact CZ3-CB 4.49Å; W139-V142 HydrophobicContact CZ3-CG1 4.16Å; W139-V142 PolarHBondContact O-N 3.28Å; W139-R143 VanDerWaalsContact O-CB 3.31Å; W139-R143 WeakPolarHBondContact O-CB 3.47Å; W139-R143 WeakPolarHBondContact O-CD 3.38Å; W139-R143 VanDerWaalsContact O-CG 3.22Å; W139-R143 WeakPolarHBondContact O-CG 3.27Å; W139-R143 PolarHBondContact O-N 3.49Å; W139-A159 HydrophobicContact CE3-CB 3.86Å; W139-A159 HydrophobicContact CZ3-CB 3.76Å; W139-Y160 WeakPolarHBondContact CH2-O 3.27Å; W139-Y160 WeakPolarHBondContact CZ2-O 3.37Å; W139-T161 VanDerWaalsContact CZ2-N 3.35Å; W139-T161 PolarHBondContact NE1-OG1 3.4Å
140R98.2Very high97.6Very high160 Ų16054.3 Ų54.360%0.60429%0.286SS*.Hα-helixtrans-59-45173.1-172-176.3-60.11053.4111.5D136 I138 S144D136-R140 VanDerWaalsContact O-CB 3.26Å; D136-R140 WeakPolarHBondContact O-CB 3.4Å; D136-R140 PolarHBondContact O-N 3.41Å; I138-R140 VanDerWaalsContact C-N 3.3Å; I138-R140 PolarHBondContact O-N 3.42Å; R140-S144 WeakPolarHBondContact O-CB 3.27Å; R140-S144 PolarHBondContact O-N 3.03Å
141N98.6Very high97.7Very high38 Ų3859.9 Ų59.920%0.20331%0.309CS..Hα-helixtrans-67.5-44.4178.5-81-82.6000111.9I94 A137 I138 W139 H145I94-N141 HydrophobicContact CB-CB 4.33Å; I94-N141 HydrophobicContact CD1-CB 3.96Å; I94-N141 HydrophobicContact CG2-CB 4.13Å; A137-N141 PolarHBondContact O-N 3.33Å; A137-N141 PolarHBondContact O-ND2 2.89Å; I138-N141 PolarHBondContact O-N 2.89Å; I138-N141 VanDerWaalsContact O-N 3.07Å; W139-N141 VanDerWaalsContact C-N 3.33Å; W139-N141 PolarHBondContact O-N 3.19Å; N141-H145 VanDerWaalsContact O-CB 3.25Å; N141-H145 WeakPolarHBondContact O-CB 3.41Å; N141-H145 PolarHBondContact O-N 2.84Å
142V98.7Very high97.9Very high0 Ų056.5 Ų56.50%029%0.286CS..Hα-helixtrans-59.1-54.2176.3174.10000110.8L84 I94 I98 I121 I138 W139 S144 H145 V146 A159L84-V142 HydrophobicContact CD1-CG2 4.31Å; L84-V142 HydrophobicContact CD2-CG2 4.36Å; I94-V142 HydrophobicContact CG2-CG2 3.56Å; I98-V142 HydrophobicContact CD1-CG1 4.29Å; I98-V142 HydrophobicContact CD1-CG2 4.24Å; I98-V142 HydrophobicContact CG1-CG1 4.43Å; I98-V142 HydrophobicContact CG1-CG2 4.18Å; I121-V142 HydrophobicContact CD1-CG1 3.83Å; I121-V142 HydrophobicContact CG2-CG1 4.41Å; I138-V142 HydrophobicContact CG2-CG2 4.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 3.46Å; W139-V142 HydrophobicContact CE3-CB 4.15Å; W139-V142 HydrophobicContact CE3-CG1 4.23Å; W139-V142 HydrophobicContact CE3-CG2 4.41Å; W139-V142 HydrophobicContact CZ3-CB 4.49Å; W139-V142 HydrophobicContact CZ3-CG1 4.16Å; W139-V142 PolarHBondContact O-N 3.28Å; V142-S144 PolarHBondContact O-N 2.91Å; V142-H145 PolarHBondContact O-N 3.39Å; V142-V146 HydrophobicContact CG1-CG2 4.34Å; V142-V146 VanDerWaalsContact O-CG2 3.3Å; V142-V146 WeakPolarHBondContact O-CG2 3.45Å; V142-V146 PolarHBondContact O-N 3.05Å; V142-A159 HydrophobicContact CG1-CB 4.45Å
143R98.6Very high97.9Very high64 Ų6454.7 Ų54.724%0.24228%0.278CS..Hα-helixtrans-61.8-44.1-177.5-70.4166.3-178.1164.66111.9W139 K147 F154 E156 A159W139-R143 VanDerWaalsContact O-CB 3.31Å; W139-R143 WeakPolarHBondContact O-CB 3.47Å; W139-R143 WeakPolarHBondContact O-CD 3.38Å; W139-R143 VanDerWaalsContact O-CG 3.22Å; W139-R143 WeakPolarHBondContact O-CG 3.27Å; W139-R143 PolarHBondContact O-N 3.49Å; R143-K147 WeakPolarHBondContact O-CB 3.28Å; R143-K147 WeakPolarHBondContact O-CG 3.44Å; R143-K147 PolarHBondContact O-N 2.81Å; R143-K147 VanDerWaalsContact O-N 3.1Å; R143-F154 HydrophobicContact CB-CE1 4.44Å; R143-F154 HydrophobicContact CG-CE1 4.45Å; R143-F154 HydrophobicContact CG-CZ 4.19Å; R143-E156 HydrophobicContact CB-CG 4.45Å; R143-E156 HydrophobicContact CG-CB 4.41Å; R143-E156 HydrophobicContact CG-CG 4.43Å; R143-E156 PolarHBondContact NE-O 2.67Å; R143-A159 HydrophobicContact CG-CB 3.88Å; R143-A159 PolarHBondContact NE-O 2.84Å; R143-A159 VanDerWaalsContact NE-O 3.14Å; R143-A159 PolarHBondContact NH2-O 3.32Å
144S98Very high97.9Very high66 Ų6651 Ų5146%0.46225%0.253SS..Hα-helixtrans-60.6-46.2177.1-178.50000111.3R140 V142 S148R140-S144 WeakPolarHBondContact O-CB 3.27Å; R140-S144 PolarHBondContact O-N 3.03Å; V142-S144 PolarHBondContact O-N 2.91Å; S144-S148 WeakPolarHBondContact O-CB 3.31Å; S144-S148 PolarHBondContact O-N 3.19Å; S144-S148 VanDerWaalsContact O-N 3.14Å; S144-S148 PolarHBondContact O-OG 3.08Å; S144-S148 VanDerWaalsContact O-OG 3.08Å
145H98.3Very high97.8Very high17 Ų1753 Ų538%0.07926%0.261CS..Hα-helixtrans-66.2-44.4-178.2-177.159.4000112.3R95 S99 N141 V142 S148 T149R95-H145 HydrophobicContact CG-CB 4.2Å; R95-H145 PolarHBondContact O-NE2 2.99Å; S99-H145 PolarHBondContact OG-CE1 2.76Å; S99-H145 PolarHBondContact OG-NE2 3.12Å; N141-H145 VanDerWaalsContact O-CB 3.25Å; N141-H145 WeakPolarHBondContact O-CB 3.41Å; N141-H145 PolarHBondContact O-N 2.84Å; V142-H145 PolarHBondContact O-N 3.39Å; H145-S148 PolarHBondContact O-N 3.07Å; H145-S148 PolarHBondContact O-OG 3.09Å; H145-S148 VanDerWaalsContact O-OG 3.14Å; H145-T149 PolarHBondContact CE1-OG1 2.86Å; H145-T149 PolarHBondContact ND1-OG1 3.12Å; H145-T149 VanDerWaalsContact O-CB 3.22Å; H145-T149 WeakPolarHBondContact O-CB 3.37Å; H145-T149 PolarHBondContact O-N 2.73Å; H145-T149 VanDerWaalsContact O-N 3.15Å; H145-T149 PolarHBondContact O-OG1 3.26Å
146V98.6Very high97.8Very high2 Ų256.5 Ų56.51%0.01228%0.277CS..Hα-helixtrans-62.4-48.9-179.9172.50000110.5I98 L102 L119 I121 V142 S148 T149 Y150 F154I98-V146 HydrophobicContact CG2-CG2 4.06Å; L102-V146 HydrophobicContact CD1-CG2 3.99Å; L119-V146 HydrophobicContact CD2-CG1 3.55Å; I121-V146 HydrophobicContact CD1-CG2 3.73Å; V142-V146 HydrophobicContact CG1-CG2 4.34Å; V142-V146 VanDerWaalsContact O-CG2 3.3Å; V142-V146 WeakPolarHBondContact O-CG2 3.45Å; V142-V146 PolarHBondContact O-N 3.05Å; V146-S148 VanDerWaalsContact C-N 3.32Å; V146-S148 PolarHBondContact O-N 3.17Å; V146-T149 PolarHBondContact O-N 3.11Å; V146-Y150 PolarHBondContact O-N 2.95Å; V146-F154 HydrophobicContact CB-CD1 4.21Å; V146-F154 HydrophobicContact CB-CE1 4Å; V146-F154 HydrophobicContact CB-CZ 4.15Å; V146-F154 HydrophobicContact CG1-CB 4.14Å; V146-F154 HydrophobicContact CG1-CD1 3.6Å; V146-F154 HydrophobicContact CG1-CD2 3.73Å; V146-F154 HydrophobicContact CG1-CE1 3.84Å; V146-F154 HydrophobicContact CG1-CE2 3.97Å; V146-F154 HydrophobicContact CG1-CG 3.53Å; V146-F154 HydrophobicContact CG1-CZ 4.02Å
147K97.5Very high97.6Very high111 Ų11157.5 Ų57.548%0.48329%0.286SS..Hα-helixtrans-61.7-36179.4-78-175.7168.8-173.20113.7R143 F154 E156R143-K147 WeakPolarHBondContact O-CB 3.28Å; R143-K147 WeakPolarHBondContact O-CG 3.44Å; R143-K147 PolarHBondContact O-N 2.81Å; R143-K147 VanDerWaalsContact O-N 3.1Å; K147-F154 HydrophobicContact CG-CD1 3.77Å; K147-F154 HydrophobicContact CG-CE1 4Å; K147-E156 HydrophobicContact CD-CG 4.48Å; K147-E156 VanDerWaalsContact CE-CG 3.44Å; K147-E156 VanDerWaalsContact NZ-CD 3.35Å; K147-E156 IonicContact NZ-OE1 2.78Å; K147-E156 PolarHBondContact NZ-OE1 2.91Å
148S97.3Very high97.6Very high92 Ų9258.9 Ų58.964%0.64329%0.288SS*.Hα-helixtrans-81.4-21.5-177.262.40000113.6S144 H145 V146S144-S148 WeakPolarHBondContact O-CB 3.31Å; S144-S148 PolarHBondContact O-N 3.19Å; S144-S148 VanDerWaalsContact O-N 3.14Å; S144-S148 PolarHBondContact O-OG 3.08Å; S144-S148 VanDerWaalsContact O-OG 3.08Å; H145-S148 PolarHBondContact O-N 3.07Å; H145-S148 PolarHBondContact O-OG 3.09Å; H145-S148 VanDerWaalsContact O-OG 3.14Å; V146-S148 VanDerWaalsContact C-N 3.32Å; V146-S148 PolarHBondContact O-N 3.17Å
149T98.2Very high97.5Very high65 Ų6558.9 Ų58.940%0.39929%0.288SS..Hα-helixtrans-110.4-41.7-165.8-49.80000112.7H145 V146H145-T149 PolarHBondContact CE1-OG1 2.86Å; H145-T149 PolarHBondContact ND1-OG1 3.12Å; H145-T149 VanDerWaalsContact O-CB 3.22Å; H145-T149 WeakPolarHBondContact O-CB 3.37Å; H145-T149 PolarHBondContact O-N 2.73Å; H145-T149 VanDerWaalsContact O-N 3.15Å; H145-T149 PolarHBondContact O-OG1 3.26Å; V146-T149 PolarHBondContact O-N 3.11Å
150Y98.2Very high97.5Very high15 Ų1560.9 Ų60.96%0.05930%0.296CS..  trans-108.8151.4-171.8-57.6-75.7000112.5S99 L102 D103 V146 F152S99-Y150 VanDerWaalsContact CA-OH 3.25Å; S99-Y150 WeakPolarHBondContact CA-OH 3.47Å; S99-Y150 WeakPolarHBondContact CB-OH 3.43Å; S99-Y150 PolarHBondContact OG-OH 3Å; L102-Y150 HydrophobicContact CB-CD1 4.41Å; L102-Y150 HydrophobicContact CB-CD2 4.38Å; L102-Y150 HydrophobicContact CB-CE1 3.82Å; L102-Y150 HydrophobicContact CB-CE2 3.8Å; L102-Y150 HydrophobicContact CD1-CD2 3.78Å; L102-Y150 HydrophobicContact CD1-CE2 3.61Å; L102-Y150 HydrophobicContact CG-CE2 4.34Å; D103-Y150 WeakPolarHBondContact OD1-CE1 3.3Å; D103-Y150 PolarHBondContact OD1-OH 3.32Å; V146-Y150 PolarHBondContact O-N 2.95Å; Y150-F152 HydrophobicContact CD1-CD2 4.34Å; Y150-F152 AromaticContact CD1-CE2 3.95Å; Y150-F152 HydrophobicContact CD1-CE2 3.95Å; Y150-F152 HydrophobicContact CG-CD2 4.1Å; Y150-F152 HydrophobicContact CG-CE2 4.17Å
151K96.5Very high97.5Very high156 Ų15654.7 Ų54.768%0.67828%0.276SS*.  trans-94.57.1177.6-63.1-175.7-179.5-179.60113.8P115P115-K151 VanDerWaalsContact CA-O 3.28Å; P115-K151 WeakPolarHBondContact CA-O 3.3Å
152F97.9Very high97.5Very high12 Ų1252.9 Ų52.95%0.05327%0.266CS..SBendtrans-62.8153.4178.1-59.7-54.8000112.1I36 A105 E106 I109 Q114 T117 L119 Y150 F154I36-F152 HydrophobicContact CD1-CD1 3.74Å; I36-F152 HydrophobicContact CD1-CD2 3.71Å; I36-F152 HydrophobicContact CD1-CE1 3.52Å; I36-F152 HydrophobicContact CD1-CE2 3.49Å; I36-F152 VanDerWaalsContact CD1-CE2 3.49Å; I36-F152 HydrophobicContact CD1-CG 3.83Å; I36-F152 HydrophobicContact CD1-CZ 3.38Å; A105-F152 HydrophobicContact CB-CZ 4.48Å; E106-F152 HydrophobicContact CB-CE2 4.3Å; E106-F152 HydrophobicContact CB-CZ 3.9Å; E106-F152 HydrophobicContact CG-CZ 4.32Å; I109-F152 HydrophobicContact CD1-CE1 4.06Å; I109-F152 HydrophobicContact CD1-CZ 4.48Å; Q114-F152 HydrophobicContact CB-CD1 4.04Å; Q114-F152 HydrophobicContact CB-CE1 3.99Å; Q114-F152 HydrophobicContact CG-CD1 4.39Å; Q114-F152 HydrophobicContact CG-CE1 3.83Å; Q114-F152 WeakPolarHBondContact O-CA 3.3Å; T117-F152 HydrophobicContact CG2-CD1 4.02Å; T117-F152 HydrophobicContact CG2-CE1 4.36Å; L119-F152 HydrophobicContact CB-CB 3.97Å; L119-F152 HydrophobicContact CD2-CB 4.4Å; L119-F152 HydrophobicContact CD2-CD2 4.06Å; Y150-F152 HydrophobicContact CD1-CD2 4.34Å; Y150-F152 AromaticContact CD1-CE2 3.95Å; Y150-F152 HydrophobicContact CD1-CE2 3.95Å; Y150-F152 HydrophobicContact CG-CD2 4.1Å; Y150-F152 HydrophobicContact CG-CE2 4.17Å; F152-F154 PolarHBondContact O-N 3.12Å
153Q96Very high97.4Very high79 Ų7955.3 Ų55.337%0.36928%0.283SS..BIsolated β-bridgetrans-67.3106171.4-178.4-176.9-1.400108.7T117 P118 L119T117-Q153 PolarHBondContact O-N 2.96Å; P118-Q153 WeakPolarHBondContact CA-O 3.31Å; L119-Q153 PolarHBondContact N-O 3.25Å
154F97.4Very high97.3Very high29 Ų2952.7 Ų52.713%0.12728%0.276CS..  trans-138.1122.8-173.2-179.8-101.9000111.9L119 R143 V146 K147 F152 A159L119-F154 HydrophobicContact CB-CD2 4.32Å; L119-F154 HydrophobicContact CD2-CD2 4.26Å; L119-F154 HydrophobicContact CG-CD2 4.13Å; L119-F154 WeakPolarHBondContact O-CD2 3.44Å; R143-F154 HydrophobicContact CB-CE1 4.44Å; R143-F154 HydrophobicContact CG-CE1 4.45Å; R143-F154 HydrophobicContact CG-CZ 4.19Å; V146-F154 HydrophobicContact CB-CD1 4.21Å; V146-F154 HydrophobicContact CB-CE1 4Å; V146-F154 HydrophobicContact CB-CZ 4.15Å; V146-F154 HydrophobicContact CG1-CB 4.14Å; V146-F154 HydrophobicContact CG1-CD1 3.6Å; V146-F154 HydrophobicContact CG1-CD2 3.73Å; V146-F154 HydrophobicContact CG1-CE1 3.84Å; V146-F154 HydrophobicContact CG1-CE2 3.97Å; V146-F154 HydrophobicContact CG1-CG 3.53Å; V146-F154 HydrophobicContact CG1-CZ 4.02Å; K147-F154 HydrophobicContact CG-CD1 3.77Å; K147-F154 HydrophobicContact CG-CE1 4Å; F152-F154 PolarHBondContact O-N 3.12Å; F154-A159 HydrophobicContact CE2-CB 3.84Å; F154-A159 HydrophobicContact CZ-CB 3.62Å
155E95.4Very high97.2Very high95 Ų9551.7 Ų51.744%0.44427%0.267SS..  trans-106.7152.9168.1-62.9177.3-168.400109.9T157 Y158E155-T157 WeakPolarHBondContact CB-OG1 3.22Å; E155-T157 PolarHBondContact O-N 2.84Å; E155-T157 PolarHBondContact OE2-OG1 3.46Å; E155-Y158 HydrophobicContact CB-CD1 3.9Å; E155-Y158 HydrophobicContact CB-CD2 4.26Å; E155-Y158 HydrophobicContact CB-CE1 3.87Å; E155-Y158 HydrophobicContact CB-CE2 4.27Å; E155-Y158 HydrophobicContact CB-CG 4.07Å; E155-Y158 HydrophobicContact CG-CE1 4.12Å; E155-Y158 HydrophobicContact CG-CE2 4.2Å; E155-Y158 WeakPolarHBondContact O-CB 3.33Å; E155-Y158 PolarHBondContact O-N 3.32Å; E155-Y158 PolarHBondContact OE1-OH 3.13Å; E155-Y158 WeakPolarHBondContact OE2-CE1 3.5Å
156E96.1Very high97.2Very high93 Ų9353.5 Ų53.544%0.43528%0.276SS..G310 helixtrans-61.4-30.6178.6-66.7-169.6-175.200112.9R143 K147 Y158 A159R143-E156 HydrophobicContact CB-CG 4.45Å; R143-E156 HydrophobicContact CG-CB 4.41Å; R143-E156 HydrophobicContact CG-CG 4.43Å; R143-E156 PolarHBondContact NE-O 2.67Å; K147-E156 HydrophobicContact CD-CG 4.48Å; K147-E156 VanDerWaalsContact CE-CG 3.44Å; K147-E156 VanDerWaalsContact NZ-CD 3.35Å; K147-E156 IonicContact NZ-OE1 2.78Å; K147-E156 PolarHBondContact NZ-OE1 2.91Å; E156-Y158 PolarHBondContact O-N 2.97Å; E156-A159 PolarHBondContact O-N 3.42Å
157T95.3Very high97.2Very high90 Ų9053.9 Ų53.955%0.55228%0.277SS*.G310 helixtrans-64-17.6174.549.90000112.6E155 A159 Y160E155-T157 WeakPolarHBondContact CB-OG1 3.22Å; E155-T157 PolarHBondContact O-N 2.84Å; E155-T157 PolarHBondContact OE2-OG1 3.46Å; T157-A159 VanDerWaalsContact C-N 3.32Å; T157-Y160 WeakPolarHBondContact O-CD1 2.99Å
158Y96.7Very high97.2Very high44 Ų4448.6 Ų48.617%0.17325%0.254CS..G310 helixtrans-85.1-9.5179.5-62.31.7000112.6L119 F120 I121 E155 E156L119-Y158 WeakPolarHBondContact O-CB 3.45Å; F120-Y158 HydrophobicContact CD1-CD1 4.13Å; F120-Y158 HydrophobicContact CD1-CD2 4.09Å; F120-Y158 AromaticContact CD1-CG 3.69Å; F120-Y158 HydrophobicContact CD1-CG 3.69Å; F120-Y158 AromaticContact CE1-CD1 3.49Å; F120-Y158 HydrophobicContact CE1-CD1 3.49Å; F120-Y158 VanDerWaalsContact CE1-CD1 3.49Å; F120-Y158 AromaticContact CE1-CD2 3.64Å; F120-Y158 HydrophobicContact CE1-CD2 3.64Å; F120-Y158 AromaticContact CE1-CE1 3.92Å; F120-Y158 HydrophobicContact CE1-CE1 3.92Å; F120-Y158 HydrophobicContact CE1-CE2 4.01Å; F120-Y158 AromaticContact CE1-CG 3.37Å; F120-Y158 HydrophobicContact CE1-CG 3.37Å; F120-Y158 HydrophobicContact CE2-CD2 4.49Å; F120-Y158 HydrophobicContact CZ-CD1 4.27Å; F120-Y158 AromaticContact CZ-CD2 3.87Å; F120-Y158 HydrophobicContact CZ-CD2 3.87Å; F120-Y158 HydrophobicContact CZ-CE1 4.32Å; F120-Y158 AromaticContact CZ-CE2 3.88Å; F120-Y158 HydrophobicContact CZ-CE2 3.88Å; F120-Y158 HydrophobicContact CZ-CG 4.09Å; I121-Y158 PolarHBondContact N-O 3.48Å; E155-Y158 HydrophobicContact CB-CD1 3.9Å; E155-Y158 HydrophobicContact CB-CD2 4.26Å; E155-Y158 HydrophobicContact CB-CE1 3.87Å; E155-Y158 HydrophobicContact CB-CE2 4.27Å; E155-Y158 HydrophobicContact CB-CG 4.07Å; E155-Y158 HydrophobicContact CG-CE1 4.12Å; E155-Y158 HydrophobicContact CG-CE2 4.2Å; E155-Y158 WeakPolarHBondContact O-CB 3.33Å; E155-Y158 PolarHBondContact O-N 3.32Å; E155-Y158 PolarHBondContact OE1-OH 3.13Å; E155-Y158 WeakPolarHBondContact OE2-CE1 3.5Å; E156-Y158 PolarHBondContact O-N 2.97Å
159A98.3Very high97.2Very high0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-113.1100.9174.300000110.8I121 W139 V142 R143 F154 E156 T157I121-A159 HydrophobicContact CB-CB 4.27Å; I121-A159 CarbonylContact O-C 3.55Å; I121-A159 WeakPolarHBondContact O-CA 3.35Å; W139-A159 HydrophobicContact CE3-CB 3.86Å; W139-A159 HydrophobicContact CZ3-CB 3.76Å; V142-A159 HydrophobicContact CG1-CB 4.45Å; R143-A159 HydrophobicContact CG-CB 3.88Å; R143-A159 PolarHBondContact NE-O 2.84Å; R143-A159 VanDerWaalsContact NE-O 3.14Å; R143-A159 PolarHBondContact NH2-O 3.32Å; F154-A159 HydrophobicContact CE2-CB 3.84Å; F154-A159 HydrophobicContact CZ-CB 3.62Å; E156-A159 PolarHBondContact O-N 3.42Å; T157-A159 VanDerWaalsContact C-N 3.32Å
160Y98Very high97.2Very high51 Ų5141.8 Ų41.820%0.221%0.208CC..EExtended strand (participates in β ladder)trans-157.7164.2-174.370.7-74.8000113.5I121 M122 A123 W139 T157 I162 E166 K473I121-Y160 PolarHBondContact O-N 3.22Å; I121-Y160 VanDerWaalsContact O-N 3.08Å; M122-Y160 WeakPolarHBondContact CA-O 3.28Å; M122-Y160 HydrophobicContact CG-CD1 4.29Å; M122-Y160 HydrophobicContact CG-CE1 3.81Å; M122-Y160 HydrophobicContact SD-CE1 4.21Å; A123-Y160 PolarHBondContact N-O 2.84Å; W139-Y160 WeakPolarHBondContact CH2-O 3.27Å; W139-Y160 WeakPolarHBondContact CZ2-O 3.37Å; T157-Y160 WeakPolarHBondContact O-CD1 2.99Å; Y160-I162 HydrophobicContact CD2-CG2 4.23Å; Y160-I162 HydrophobicContact CE2-CB 4.41Å; Y160-I162 HydrophobicContact CE2-CG2 3.56Å; Y160-E166 PolarHBondContact OH-OE1 3.29Å; Y160-K473 PolarHBondContact OH-NZ 2.94Å; Y160-K473 VanDerWaalsContact OH-NZ 3.15Å
161T98.3Very high97.2Very high29 Ų2941.2 Ų41.218%0.17821%0.206CC..EExtended strand (participates in β ladder)trans-84.2118.1172.7-52.50000108.7A123 M127 R128 Q135 W139A123-T161 CarbonylContact O-C 3.59Å; A123-T161 WeakPolarHBondContact O-CA 3.19Å; M127-T161 HydrophobicContact CB-CG2 3.75Å; R128-T161 HydrophobicContact CG-CG2 3.57Å; Q135-T161 PolarHBondContact OE1-OG1 3Å; W139-T161 VanDerWaalsContact CZ2-N 3.35Å; W139-T161 PolarHBondContact NE1-OG1 3.4Å
162I97.7Very high97.3Very high1 Ų133.8 Ų33.81%0.00517%0.174CC..PPolyproline II helixtrans-73.9148.9175.461.4161000110.8M122 A123 T124 R128 Y160 E166 E167 F170 W465M122-I162 HydrophobicContact CB-CG2 3.92Å; M122-I162 HydrophobicContact CG-CG2 4.06Å; M122-I162 HydrophobicContact SD-CG2 4.1Å; A123-I162 WeakPolarHBondContact O-CG1 3.25Å; A123-I162 PolarHBondContact O-N 3.01Å; T124-I162 HydrophobicContact CG2-CD1 4.17Å; T124-I162 HydrophobicContact CG2-CG1 4.26Å; R128-I162 PolarHBondContact NE-O 3.45Å; Y160-I162 HydrophobicContact CD2-CG2 4.23Å; Y160-I162 HydrophobicContact CE2-CB 4.41Å; Y160-I162 HydrophobicContact CE2-CG2 3.56Å; I162-E166 HydrophobicContact CB-CB 4.17Å; I162-E167 HydrophobicContact CD1-CB 3.65Å; I162-E167 HydrophobicContact CD1-CG 4.13Å; I162-F170 HydrophobicContact CD1-CD2 4.46Å; I162-W465 HydrophobicContact CD1-CD2 4.27Å; I162-W465 HydrophobicContact CD1-CE3 3.91Å; I162-W465 HydrophobicContact CD1-CH2 3.58Å; I162-W465 HydrophobicContact CD1-CZ2 3.98Å; I162-W465 HydrophobicContact CD1-CZ3 3.56Å; I162-W465 HydrophobicContact CG1-CH2 4.31Å
163S97.4Very high97.3Very high50 Ų5033.2 Ų33.235%0.3517%0.171SC..PPolyproline II helixtrans-65.1157.8169.2700000110.8V165 E166 E167S163-V165 PolarHBondContact O-N 3.38Å; S163-E166 WeakPolarHBondContact CB-OE2 3.43Å; S163-E166 PolarHBondContact N-OE2 2.86Å; S163-E166 PolarHBondContact O-N 2.96Å; S163-E166 WeakPolarHBondContact OG-CB 3.48Å; S163-E166 VanDerWaalsContact OG-CG 3.29Å; S163-E166 WeakPolarHBondContact OG-CG 3.47Å; S163-E166 PolarHBondContact OG-N 2.99Å; S163-E166 PolarHBondContact OG-OE2 3.39Å; S163-E167 PolarHBondContact O-N 3.01Å; S163-E167 VanDerWaalsContact O-N 3.13Å
164G96.6Very high97.4Very high9 Ų929.4 Ų29.49%0.09315%0.154CC..Hα-helixtrans-66.6-27.2174.400000113.2G168 S246G164-G168 PolarHBondContact O-N 2.78Å; G164-G168 VanDerWaalsContact O-N 3.08Å; G164-S246 VanDerWaalsContact C-CB 3.42Å; G164-S246 WeakPolarHBondContact CA-OG 3.36Å; G164-S246 WeakPolarHBondContact O-CB 3.32Å
165V96.7Very high97.4Very high46 Ų4628 Ų2828%0.27915%0.148SC..Hα-helixtrans-69.1-45.2175.4175.40000110.2S163 E167 G168 L169 S225 V244S163-V165 PolarHBondContact O-N 3.38Å; V165-E167 VanDerWaalsContact C-N 3.33Å; V165-E167 PolarHBondContact O-N 2.86Å; V165-G168 PolarHBondContact O-N 3.05Å; V165-L169 WeakPolarHBondContact O-CB 3.49Å; V165-L169 PolarHBondContact O-N 2.93Å; V165-S225 WeakPolarHBondContact CG1-OG 3.49Å; V165-V244 HydrophobicContact CG1-CB 4.24Å; V165-V244 HydrophobicContact CG1-CG1 4.05Å; V165-V244 WeakPolarHBondContact O-CG1 3.27Å
166E97.5Very high97.5Very high55 Ų5523.5 Ų23.526%0.25713%0.127SC..Hα-helixtrans-56.2-46.4172.2-79.4167.6115.300111.6Y160 I162 S163 G168 L169 F170Y160-E166 PolarHBondContact OH-OE1 3.29Å; I162-E166 HydrophobicContact CB-CB 4.17Å; S163-E166 WeakPolarHBondContact CB-OE2 3.43Å; S163-E166 PolarHBondContact N-OE2 2.86Å; S163-E166 PolarHBondContact O-N 2.96Å; S163-E166 WeakPolarHBondContact OG-CB 3.48Å; S163-E166 VanDerWaalsContact OG-CG 3.29Å; S163-E166 WeakPolarHBondContact OG-CG 3.47Å; S163-E166 PolarHBondContact OG-N 2.99Å; S163-E166 PolarHBondContact OG-OE2 3.39Å; E166-G168 VanDerWaalsContact C-N 3.34Å; E166-G168 PolarHBondContact O-N 3.42Å; E166-L169 PolarHBondContact O-N 3.04Å; E166-F170 HydrophobicContact CB-CD2 4.16Å; E166-F170 HydrophobicContact CB-CE2 3.66Å; E166-F170 HydrophobicContact CB-CZ 4.03Å; E166-F170 HydrophobicContact CG-CE2 4.18Å; E166-F170 HydrophobicContact CG-CZ 4.11Å; E166-F170 VanDerWaalsContact O-CB 3.31Å; E166-F170 WeakPolarHBondContact O-CB 3.34Å; E166-F170 WeakPolarHBondContact O-CD2 3.47Å; E166-F170 WeakPolarHBondContact O-CG 3.3Å; E166-F170 PolarHBondContact O-N 3.09Å
167E97.7Very high97.5Very high9 Ų920.5 Ų20.54%0.04211%0.112CC..Hα-helixtrans-59.3-44.1178.7-167.5178.2-159.900112.1T124 R128 I162 S163 V165 G171 Q208 W465T124-E167 VanDerWaalsContact CB-OE1 3.26Å; T124-E167 WeakPolarHBondContact CB-OE1 3.45Å; T124-E167 HydrophobicContact CG2-CG 4.48Å; T124-E167 WeakPolarHBondContact CG2-OE1 3.36Å; R128-E167 IonicContact CZ-OE2 2.77Å; R128-E167 IonicContact NH2-OE2 3.34Å; R128-E167 PolarHBondContact NH2-OE2 2.84Å; I162-E167 HydrophobicContact CD1-CB 3.65Å; I162-E167 HydrophobicContact CD1-CG 4.13Å; S163-E167 PolarHBondContact O-N 3.01Å; S163-E167 VanDerWaalsContact O-N 3.13Å; V165-E167 VanDerWaalsContact C-N 3.33Å; V165-E167 PolarHBondContact O-N 2.86Å; E167-G171 PolarHBondContact O-N 3.04Å; E167-Q208 HydrophobicContact CB-CG 4.5Å; E167-Q208 HydrophobicContact CG-CG 4.44Å; E167-Q208 PolarHBondContact OE2-NE2 2.95Å; E167-W465 HydrophobicContact CG-CD2 4.49Å; E167-W465 HydrophobicContact CG-CG 4.22Å
168G98.1Very high97.5Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-64.7-45.9175.700000112.8G164 V165 E166 F170 G171 W172 M199 A210G164-G168 PolarHBondContact O-N 2.78Å; G164-G168 VanDerWaalsContact O-N 3.08Å; V165-G168 PolarHBondContact O-N 3.05Å; E166-G168 VanDerWaalsContact C-N 3.34Å; E166-G168 PolarHBondContact O-N 3.42Å; G168-F170 PolarHBondContact O-N 3.39Å; G168-G171 PolarHBondContact O-N 3.3Å; G168-W172 PolarHBondContact O-N 3.26Å; G168-W172 VanDerWaalsContact O-N 3.08Å; G168-M199 WeakPolarHBondContact O-CE 3.36Å; G168-A210 WeakPolarHBondContact O-CB 3.48Å
169L98.1Very high97.5Very high12 Ų1217 Ų176%0.0639%0.092CC..Hα-helixtrans-58.7-49.6176.5172.761.7000111.1V165 E166 G171 W172 I173 F227 L242 Y472V165-L169 WeakPolarHBondContact O-CB 3.49Å; V165-L169 PolarHBondContact O-N 2.93Å; E166-L169 PolarHBondContact O-N 3.04Å; L169-G171 PolarHBondContact O-N 2.95Å; L169-W172 PolarHBondContact O-N 3.4Å; L169-I173 HydrophobicContact CD1-CD1 4.06Å; L169-I173 HydrophobicContact CD1-CG1 4.31Å; L169-I173 HydrophobicContact CG-CD1 4.01Å; L169-I173 WeakPolarHBondContact O-CG1 3.44Å; L169-I173 PolarHBondContact O-N 2.54Å; L169-F227 HydrophobicContact CD1-CB 4.34Å; L169-L242 HydrophobicContact CD1-CD1 3.35Å; L169-Y472 HydrophobicContact CD2-CD2 4.45Å; L169-Y472 HydrophobicContact CD2-CE2 4.14Å
170F98.1Very high97.3Very high3 Ų317.7 Ų17.71%0.01310%0.099CC..Hα-helixtrans-66-38.2-178.3-60.8-27.8000111.9I162 E166 G168 W172 I173 A174 W465 G468 A469 Y472I162-F170 HydrophobicContact CD1-CD2 4.46Å; E166-F170 HydrophobicContact CB-CD2 4.16Å; E166-F170 HydrophobicContact CB-CE2 3.66Å; E166-F170 HydrophobicContact CB-CZ 4.03Å; E166-F170 HydrophobicContact CG-CE2 4.18Å; E166-F170 HydrophobicContact CG-CZ 4.11Å; E166-F170 VanDerWaalsContact O-CB 3.31Å; E166-F170 WeakPolarHBondContact O-CB 3.34Å; E166-F170 WeakPolarHBondContact O-CD2 3.47Å; E166-F170 WeakPolarHBondContact O-CG 3.3Å; E166-F170 PolarHBondContact O-N 3.09Å; G168-F170 PolarHBondContact O-N 3.39Å; F170-W172 VanDerWaalsContact C-N 3.32Å; F170-W172 PolarHBondContact O-N 2.89Å; F170-I173 HydrophobicContact CD1-CD1 4.34Å; F170-I173 PolarHBondContact O-N 2.89Å; F170-A174 WeakPolarHBondContact O-CB 3.49Å; F170-A174 PolarHBondContact O-N 3.36Å; F170-W465 HydrophobicContact CB-CB 4.16Å; F170-W465 HydrophobicContact CB-CE3 4.09Å; F170-W465 WeakPolarHBondContact CB-O 3.36Å; F170-W465 AromaticContact CD2-CE3 3.72Å; F170-W465 HydrophobicContact CD2-CE3 3.72Å; F170-W465 AromaticContact CD2-CZ3 3.91Å; F170-W465 HydrophobicContact CD2-CZ3 3.91Å; F170-W465 HydrophobicContact CE2-CZ3 4.47Å; F170-W465 HydrophobicContact CG-CE3 4.38Å; F170-G468 WeakPolarHBondContact O-CA 3.46Å; F170-A469 HydrophobicContact CB-CB 4.28Å; F170-A469 HydrophobicContact CD1-CB 4.29Å; F170-A469 HydrophobicContact CD2-CB 3.52Å; F170-A469 HydrophobicContact CE2-CB 3.8Å; F170-A469 HydrophobicContact CG-CB 3.78Å; F170-A469 HydrophobicContact CZ-CB 4.33Å; F170-Y472 HydrophobicContact CD1-CG 4.34Å; F170-Y472 AromaticContact CE1-CD1 3.84Å; F170-Y472 HydrophobicContact CE1-CD1 3.84Å; F170-Y472 HydrophobicContact CE1-CD2 4.08Å; F170-Y472 HydrophobicContact CE1-CE1 4.48Å; F170-Y472 AromaticContact CE1-CG 3.62Å; F170-Y472 HydrophobicContact CE1-CG 3.62Å; F170-Y472 HydrophobicContact CZ-CD1 4.33Å
171G98.2Very high97.1Very high2 Ų218.6 Ų18.62%0.02110%0.102CC..Hα-helixtrans-60.1-41.5171.800000112.6E167 G168 L169 A174 V175E167-G171 PolarHBondContact O-N 3.04Å; G168-G171 PolarHBondContact O-N 3.3Å; L169-G171 PolarHBondContact O-N 2.95Å; G171-A174 PolarHBondContact O-N 3.4Å; G171-V175 WeakPolarHBondContact O-CG2 3.37Å; G171-V175 PolarHBondContact O-N 2.78Å
172W98.5Very high96.8Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-67.1-40.2177.7179.392.2000112.6G168 L169 F170 A174 V175 N176 F182 T196 N197 M199 A210 E212 F227 Y240 L242G168-W172 PolarHBondContact O-N 3.26Å; G168-W172 VanDerWaalsContact O-N 3.08Å; L169-W172 PolarHBondContact O-N 3.4Å; F170-W172 VanDerWaalsContact C-N 3.32Å; F170-W172 PolarHBondContact O-N 2.89Å; W172-A174 VanDerWaalsContact C-N 3.33Å; W172-A174 PolarHBondContact O-N 3.03Å; W172-V175 PolarHBondContact O-N 3.15Å; W172-N176 PolarHBondContact NE1-ND2 3.15Å; W172-N176 VanDerWaalsContact NE1-ND2 3.14Å; W172-N176 WeakPolarHBondContact O-CB 3.49Å; W172-N176 PolarHBondContact O-N 3.14Å; W172-N176 PolarHBondContact O-ND2 3.4Å; W172-F182 HydrophobicContact CE3-CZ 4.35Å; W172-F182 AromaticContact CH2-CE1 3.67Å; W172-F182 HydrophobicContact CH2-CE1 3.67Å; W172-F182 HydrophobicContact CH2-CZ 4.05Å; W172-F182 AromaticContact CZ3-CE1 3.66Å; W172-F182 HydrophobicContact CZ3-CE1 3.66Å; W172-F182 AromaticContact CZ3-CZ 3.62Å; W172-F182 HydrophobicContact CZ3-CZ 3.62Å; W172-T196 HydrophobicContact CH2-CG2 3.98Å; W172-T196 HydrophobicContact CZ2-CG2 3.59Å; W172-T196 WeakPolarHBondContact CZ2-OG1 3.32Å; W172-N197 VanDerWaalsContact CD1-O 3.29Å; W172-N197 PolarHBondContact NE1-O 3.15Å; W172-M199 HydrophobicContact CB-CB 4.19Å; W172-A210 HydrophobicContact CB-CB 3.69Å; W172-A210 HydrophobicContact CG-CB 4.28Å; W172-E212 HydrophobicContact CZ2-CB 4.27Å; W172-F227 HydrophobicContact CZ3-CD1 4.07Å; W172-Y240 AromaticContact CH2-CD1 3.63Å; W172-Y240 HydrophobicContact CH2-CD1 3.63Å; W172-Y240 HydrophobicContact CH2-CE1 4.31Å; W172-Y240 AromaticContact CH2-CG 3.75Å; W172-Y240 HydrophobicContact CH2-CG 3.75Å; W172-Y240 HydrophobicContact CZ2-CD1 4.24Å; W172-Y240 HydrophobicContact CZ3-CG 4.45Å; W172-L242 HydrophobicContact CD2-CD1 3.81Å; W172-L242 HydrophobicContact CD2-CD2 3.8Å; W172-L242 HydrophobicContact CD2-CG 4.47Å; W172-L242 VanDerWaalsContact CE2-CD2 3.45Å; W172-L242 HydrophobicContact CE3-CD1 3.54Å; W172-L242 HydrophobicContact CE3-CD2 4.06Å; W172-L242 HydrophobicContact CE3-CG 4.46Å; W172-L242 HydrophobicContact CG-CD1 4.39Å; W172-L242 HydrophobicContact CG-CD2 4.5Å; W172-L242 HydrophobicContact CH2-CD1 4.42Å; W172-L242 HydrophobicContact CH2-CD2 3.75Å; W172-L242 HydrophobicContact CZ2-CD2 3.42Å; W172-L242 VanDerWaalsContact CZ2-CD2 3.42Å; W172-L242 HydrophobicContact CZ3-CD1 3.88Å; W172-L242 HydrophobicContact CZ3-CD2 4.06Å
173I97.9Very high96.3Very high0 Ų023.6 Ų23.60%012%0.118CC..Hα-helixtrans-60.1-46.3174.1-67.5170000109.7L169 F170 V175 N176 Y177 F182 F227 L471 Y472L169-I173 HydrophobicContact CD1-CD1 4.06Å; L169-I173 HydrophobicContact CD1-CG1 4.31Å; L169-I173 HydrophobicContact CG-CD1 4.01Å; L169-I173 WeakPolarHBondContact O-CG1 3.44Å; L169-I173 PolarHBondContact O-N 2.54Å; F170-I173 HydrophobicContact CD1-CD1 4.34Å; F170-I173 PolarHBondContact O-N 2.89Å; I173-V175 PolarHBondContact O-N 3.07Å; I173-N176 PolarHBondContact O-N 3.38Å; I173-Y177 WeakPolarHBondContact O-CB 3.4Å; I173-Y177 PolarHBondContact O-N 3.08Å; I173-F182 HydrophobicContact CG2-CE2 4.18Å; I173-F182 HydrophobicContact CG2-CZ 4.46Å; I173-F227 HydrophobicContact CD1-CD1 4.23Å; I173-F227 HydrophobicContact CD1-CD2 3.64Å; I173-F227 HydrophobicContact CD1-CE1 4.27Å; I173-F227 HydrophobicContact CD1-CE2 3.72Å; I173-F227 HydrophobicContact CD1-CG 3.91Å; I173-F227 HydrophobicContact CD1-CZ 4.02Å; I173-F227 HydrophobicContact CG1-CD1 3.99Å; I173-F227 HydrophobicContact CG1-CD2 4.31Å; I173-F227 HydrophobicContact CG1-CE1 4.04Å; I173-F227 HydrophobicContact CG1-CE2 4.39Å; I173-F227 HydrophobicContact CG1-CG 4.1Å; I173-F227 HydrophobicContact CG1-CZ 4.25Å; I173-F227 HydrophobicContact CG2-CE1 4.25Å; I173-F227 HydrophobicContact CG2-CZ 4.16Å; I173-L471 HydrophobicContact CG2-CB 4.16Å; I173-L471 HydrophobicContact CG2-CD1 4.11Å; I173-Y472 HydrophobicContact CD1-CD2 3.93Å
174A97.4Very high95.8Very high0 Ų022.5 Ų22.50%011%0.108CC..Hα-helixtrans-61.4-46.3-179.400000112.2F170 G171 W172 N176 L178 L463 Q464 L467F170-A174 WeakPolarHBondContact O-CB 3.49Å; F170-A174 PolarHBondContact O-N 3.36Å; G171-A174 PolarHBondContact O-N 3.4Å; W172-A174 VanDerWaalsContact C-N 3.33Å; W172-A174 PolarHBondContact O-N 3.03Å; A174-N176 PolarHBondContact O-N 3.44Å; A174-L178 WeakPolarHBondContact O-CG 3.4Å; A174-L178 PolarHBondContact O-N 2.98Å; A174-L463 HydrophobicContact CB-CD1 3.54Å; A174-Q464 WeakPolarHBondContact CB-O 3.44Å; A174-L467 HydrophobicContact CB-CB 4.22Å; A174-L467 HydrophobicContact CB-CD2 4.46Å; A174-L467 HydrophobicContact CB-CG 4.44Å
175V98.3Very high95.3Very high0 Ų026.4 Ų26.40%013%0.126CC..Hα-helixtrans-56-53.7175.5168.10000110.6G171 W172 I173 Y177 L178 L179 M199 Y362 I458 L463G171-V175 WeakPolarHBondContact O-CG2 3.37Å; G171-V175 PolarHBondContact O-N 2.78Å; W172-V175 PolarHBondContact O-N 3.15Å; I173-V175 PolarHBondContact O-N 3.07Å; V175-Y177 PolarHBondContact O-N 2.93Å; V175-L178 PolarHBondContact O-N 2.76Å; V175-L179 HydrophobicContact CG1-CD1 3.75Å; V175-L179 WeakPolarHBondContact O-CB 3.36Å; V175-L179 VanDerWaalsContact O-CG 3.23Å; V175-L179 WeakPolarHBondContact O-CG 3.47Å; V175-L179 PolarHBondContact O-N 3.16Å; V175-M199 HydrophobicContact CG2-CB 4.03Å; V175-M199 HydrophobicContact CG2-CG 3.85Å; V175-Y362 HydrophobicContact CG1-CD2 3.77Å; V175-Y362 HydrophobicContact CG1-CE2 4.44Å; V175-Y362 HydrophobicContact CG1-CG 3.87Å; V175-I458 HydrophobicContact CG1-CD1 4.45Å; V175-L463 HydrophobicContact CG2-CD1 4.09Å; V175-L463 HydrophobicContact CG2-CD2 3.68Å; V175-L463 HydrophobicContact CG2-CG 4.45Å
176N97.6Very high94.7Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-75.6-26.6-172.1-75.2-72.6000113.1W172 I173 A174 G180 R181 F182 T196 N197W172-N176 PolarHBondContact NE1-ND2 3.15Å; W172-N176 VanDerWaalsContact NE1-ND2 3.14Å; W172-N176 WeakPolarHBondContact O-CB 3.49Å; W172-N176 PolarHBondContact O-N 3.14Å; W172-N176 PolarHBondContact O-ND2 3.4Å; I173-N176 PolarHBondContact O-N 3.38Å; A174-N176 PolarHBondContact O-N 3.44Å; N176-G180 PolarHBondContact O-N 2.56Å; N176-R181 HydrophobicContact CB-CB 4.05Å; N176-R181 HydrophobicContact CB-CG 4.39Å; N176-R181 PolarHBondContact O-N 2.86Å; N176-R181 WeakPolarHBondContact OD1-CG 3.44Å; N176-F182 HydrophobicContact CB-CE1 4.1Å; N176-F182 HydrophobicContact CB-CE2 4.08Å; N176-F182 HydrophobicContact CB-CZ 3.68Å; N176-T196 WeakPolarHBondContact OD1-CA 3.5Å; N176-T196 VanDerWaalsContact OD1-CB 3.28Å; N176-T196 WeakPolarHBondContact OD1-CB 3.32Å; N176-N197 PolarHBondContact ND2-O 3.28Å; N176-N197 PolarHBondContact OD1-N 3.04Å
177Y95.7Very high94.1Very high30 Ų3029.1 Ų29.112%0.11816%0.155CC..Hα-helixtrans-64.1-52.9168.6172.6-99.1000111.2L62 E63 D64 V65 I173 V175 L179 G180 L467 L471L62-Y177 HydrophobicContact CB-CE2 4.45Å; L62-Y177 HydrophobicContact CD1-CD2 4.06Å; E63-Y177 PolarHBondContact O-OH 3.12Å; D64-Y177 WeakPolarHBondContact CA-OH 3.36Å; V65-Y177 HydrophobicContact CG2-CE1 4.45Å; V65-Y177 PolarHBondContact N-OH 2.97Å; V65-Y177 VanDerWaalsContact N-OH 3.16Å; I173-Y177 WeakPolarHBondContact O-CB 3.4Å; I173-Y177 PolarHBondContact O-N 3.08Å; V175-Y177 PolarHBondContact O-N 2.93Å; Y177-L179 PolarHBondContact O-N 3.22Å; Y177-G180 WeakPolarHBondContact O-CA 3.25Å; Y177-G180 PolarHBondContact O-N 3.25Å; Y177-L467 HydrophobicContact CD1-CD2 4.04Å; Y177-L467 HydrophobicContact CD1-CG 4.47Å; Y177-L467 HydrophobicContact CE1-CD1 4.44Å; Y177-L467 HydrophobicContact CE1-CD2 4.34Å; Y177-L471 HydrophobicContact CD1-CD1 3.64Å; Y177-L471 HydrophobicContact CD2-CD1 3.52Å; Y177-L471 HydrophobicContact CD2-CD2 3.98Å; Y177-L471 HydrophobicContact CD2-CG 4.41Å; Y177-L471 HydrophobicContact CE1-CD1 4.15Å; Y177-L471 HydrophobicContact CE2-CD1 4.03Å; Y177-L471 HydrophobicContact CE2-CD2 3.72Å; Y177-L471 HydrophobicContact CG-CD1 3.3Å
178L95.6Very high93.6Very high20 Ų2037.2 Ų37.211%0.10520%0.199CC..Hα-helixtrans-66.7-26.9-178-67.2-179.2000113A174 V175 G180 I458 N459 T461 L463 L467A174-L178 WeakPolarHBondContact O-CG 3.4Å; A174-L178 PolarHBondContact O-N 2.98Å; V175-L178 PolarHBondContact O-N 2.76Å; L178-G180 VanDerWaalsContact C-N 3.29Å; L178-I458 HydrophobicContact CB-CB 3.77Å; L178-I458 HydrophobicContact CB-CD1 4.32Å; L178-I458 HydrophobicContact CB-CG2 3.75Å; L178-I458 HydrophobicContact CD1-CB 4Å; L178-N459 PolarHBondContact O-ND2 3.5Å; L178-T461 HydrophobicContact CD1-CG2 4.16Å; L178-T461 HydrophobicContact CD2-CG2 3.77Å; L178-L463 HydrophobicContact CD1-CB 4.32Å; L178-L463 HydrophobicContact CD1-CD1 3.98Å; L178-L467 HydrophobicContact CD1-CD2 4.03Å; L178-L467 HydrophobicContact CD2-CD2 3.78Å; L178-L467 HydrophobicContact CG-CD2 3.87Å
179L95.7Very high93Very high40 Ų4047 Ų4721%0.20924%0.244CC..THydrogen-bonded Turntrans-81-5.2171.4-67174.8000113.9V175 Y177 R181 N197 Y362 I458V175-L179 HydrophobicContact CG1-CD1 3.75Å; V175-L179 WeakPolarHBondContact O-CB 3.36Å; V175-L179 VanDerWaalsContact O-CG 3.23Å; V175-L179 WeakPolarHBondContact O-CG 3.47Å; V175-L179 PolarHBondContact O-N 3.16Å; Y177-L179 PolarHBondContact O-N 3.22Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 HydrophobicContact CB-CG 3.85Å; L179-R181 PolarHBondContact O-N 3.21Å; L179-N197 HydrophobicContact CD1-CB 4.19Å; L179-N197 WeakPolarHBondContact CD1-ND2 3.49Å; L179-Y362 HydrophobicContact CD1-CD2 4.19Å; L179-Y362 HydrophobicContact CD1-CE1 4.34Å; L179-Y362 HydrophobicContact CD1-CE2 3.54Å; L179-Y362 HydrophobicContact CD2-CE1 4.2Å; L179-Y362 WeakPolarHBondContact CD2-OH 3.1Å; L179-I458 HydrophobicContact CD2-CD1 4.19Å; L179-I458 HydrophobicContact CD2-CG2 3.79Å; L179-I458 HydrophobicContact CG-CD1 4.05Å; L179-I458 HydrophobicContact CG-CG2 4.31Å
180G93.5Very high92.2Very high15 Ų1547.7 Ų47.716%0.15526%0.255CS..THydrogen-bonded Turntrans69.122.8-179.500000114.6N176 Y177 L178 F182 R183 Q194N176-G180 PolarHBondContact O-N 2.56Å; Y177-G180 WeakPolarHBondContact O-CA 3.25Å; Y177-G180 PolarHBondContact O-N 3.25Å; L178-G180 VanDerWaalsContact C-N 3.29Å; G180-F182 VanDerWaalsContact C-N 3.3Å; G180-F182 PolarHBondContact O-N 2.83Å; G180-R183 PolarHBondContact O-N 2.81Å; G180-Q194 PolarHBondContact O-NE2 3.22Å
181R94Very high91.6Very high70 Ų7051.6 Ų51.626%0.26428%0.28SS..THydrogen-bonded Turntrans-72.4-17.9-175.6-61-54.4-171.6-176.90.9114.3N176 L179 R183 Q194 P195 T196N176-R181 HydrophobicContact CB-CB 4.05Å; N176-R181 HydrophobicContact CB-CG 4.39Å; N176-R181 PolarHBondContact O-N 2.86Å; N176-R181 WeakPolarHBondContact OD1-CG 3.44Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 HydrophobicContact CB-CG 3.85Å; L179-R181 PolarHBondContact O-N 3.21Å; R181-R183 PolarHBondContact O-N 2.99Å; R181-Q194 VanDerWaalsContact NH1-OE1 3.15Å; R181-P195 WeakPolarHBondContact CD-O 3.01Å; R181-T196 HydrophobicContact CB-CG2 4.23Å
182F92.4Very high91.1Very high1 Ų155.3 Ų55.30%0.00430%0.302CS..THydrogen-bonded Turntrans-79.2-3175.8-58.2-48.2000114.2L62 W172 I173 N176 G180 F227 V229 Q238 Y240L62-F182 HydrophobicContact CD1-CD2 3.51Å; L62-F182 HydrophobicContact CD1-CE2 3.98Å; L62-F182 HydrophobicContact CD1-CG 4.23Å; W172-F182 HydrophobicContact CE3-CZ 4.35Å; W172-F182 AromaticContact CH2-CE1 3.67Å; W172-F182 HydrophobicContact CH2-CE1 3.67Å; W172-F182 HydrophobicContact CH2-CZ 4.05Å; W172-F182 AromaticContact CZ3-CE1 3.66Å; W172-F182 HydrophobicContact CZ3-CE1 3.66Å; W172-F182 AromaticContact CZ3-CZ 3.62Å; W172-F182 HydrophobicContact CZ3-CZ 3.62Å; I173-F182 HydrophobicContact CG2-CE2 4.18Å; I173-F182 HydrophobicContact CG2-CZ 4.46Å; N176-F182 HydrophobicContact CB-CE1 4.1Å; N176-F182 HydrophobicContact CB-CE2 4.08Å; N176-F182 HydrophobicContact CB-CZ 3.68Å; G180-F182 VanDerWaalsContact C-N 3.3Å; G180-F182 PolarHBondContact O-N 2.83Å; F182-F227 HydrophobicContact CE1-CD1 4.06Å; F182-F227 AromaticContact CE1-CE1 3.95Å; F182-F227 HydrophobicContact CE1-CE1 3.95Å; F182-F227 HydrophobicContact CE2-CE1 4.06Å; F182-F227 HydrophobicContact CZ-CD1 4.04Å; F182-F227 AromaticContact CZ-CE1 3.7Å; F182-F227 HydrophobicContact CZ-CE1 3.7Å; F182-V229 HydrophobicContact CD1-CG2 4.33Å; F182-V229 HydrophobicContact CG-CG2 4.47Å; F182-Q238 PolarHBondContact O-NE2 3.19Å; F182-Q238 PolarHBondContact O-OE1 3.08Å; F182-Y240 HydrophobicContact CD1-CD2 4.5Å; F182-Y240 HydrophobicContact CD1-CE1 4.25Å; F182-Y240 AromaticContact CD1-CE2 3.74Å; F182-Y240 HydrophobicContact CD1-CE2 3.74Å; F182-Y240 AromaticContact CD1-CZ 3.59Å; F182-Y240 HydrophobicContact CE1-CD2 4.32Å; F182-Y240 HydrophobicContact CE1-CE1 4.29Å; F182-Y240 AromaticContact CE1-CE2 3.99Å; F182-Y240 HydrophobicContact CE1-CE2 3.99Å; F182-Y240 AromaticContact CE1-CZ 3.98Å
183R88.3Confident90.6Very high133 Ų13358.5 Ų58.550%0.50232%0.316SS..SBendtrans-78.6141169.8-60.9177-177.8166.91.4108.8G180 R181 Q194G180-R183 PolarHBondContact O-N 2.81Å; R181-R183 PolarHBondContact O-N 2.99Å; R183-Q194 WeakPolarHBondContact O-CG 3.19Å; R183-Q194 PolarHBondContact O-NE2 2.78Å
184L87Confident90.3Very high28 Ų2859.5 Ų59.515%0.14732%0.321CS..EExtended strand (participates in β ladder)trans-85.6140.6170.4-54.2163.3000107.8P191 V192 K193 R231 Q238L184-P191 HydrophobicContact CB-CB 3.73Å; L184-P191 HydrophobicContact CD1-CB 3.67Å; L184-P191 HydrophobicContact CG-CB 4.26Å; L184-V192 CarbonylContact C-O 3.6Å; L184-V192 VanDerWaalsContact CA-O 3.29Å; L184-V192 WeakPolarHBondContact CA-O 3.42Å; L184-V192 WeakPolarHBondContact CB-O 3.46Å; L184-K193 HydrophobicContact CD2-CB 4.18Å; L184-R231 VanDerWaalsContact CA-NH2 3.31Å; L184-Q238 HydrophobicContact CD1-CG 4.49Å; L184-Q238 VanDerWaalsContact CD2-CD 3.42Å; L184-Q238 HydrophobicContact CD2-CG 3.75Å; L184-Q238 HydrophobicContact CG-CG 4.31Å
185L85.5Confident90.2Very high91 Ų9164 Ų6448%0.47635%0.35SS..EExtended strand (participates in β ladder)trans-89.1152.8171.8-61.9178.2000110P191 V192 Q194L185-P191 CarbonylContact O-C 3.55Å; L185-P191 VanDerWaalsContact O-CA 3.3Å; L185-P191 WeakPolarHBondContact O-CA 3.3Å; L185-V192 PolarHBondContact N-O 2.87Å; L185-V192 PolarHBondContact O-N 3.38Å; L185-Q194 HydrophobicContact CD1-CG 3.67Å; L185-Q194 HydrophobicContact CD2-CG 4.18Å; L185-Q194 HydrophobicContact CG-CG 3.54Å
186P84.8Confident90.1Very high128 Ų12864.2 Ų64.283%0.83135%0.352SS*.PPolyproline II helixtrans-60135.9165.7-17.530.9000110.1
187G84.5Confident90.1Very high30 Ų3064.8 Ų64.831%0.30935%0.354SS..  trans-138.4166.4171.600000110.8E189 G190G187-E189 VanDerWaalsContact C-N 3.28Å; G187-E189 PolarHBondContact O-N 3.28Å; G187-G190 CarbonylContact C-O 3.43Å; G187-G190 VanDerWaalsContact CA-O 3.25Å; G187-G190 WeakPolarHBondContact CA-O 3.38Å; G187-G190 PolarHBondContact N-O 3.4Å; G187-G190 PolarHBondContact O-N 2.74Å
188D87.3Confident90.3Very high179 Ų17963.3 Ų63.396%0.95735%0.349SS*.THydrogen-bonded Turntrans-62.7-34.2-171.9-61.8-30.5000112.9
189E83.9Confident90.4Very high205 Ų20562.4 Ų62.496%0.95834%0.344SS*.THydrogen-bonded Turntrans-100.714177.9-59.6-172169.200113G187G187-E189 VanDerWaalsContact C-N 3.28Å; G187-E189 PolarHBondContact O-N 3.28Å
190G82.8Confident90.6Very high27 Ų2760.5 Ų60.528%0.27833%0.334SS..SBendtrans116.9-172.8-178.200000113.5G187 V192G187-G190 CarbonylContact C-O 3.43Å; G187-G190 VanDerWaalsContact CA-O 3.25Å; G187-G190 WeakPolarHBondContact CA-O 3.38Å; G187-G190 PolarHBondContact N-O 3.4Å; G187-G190 PolarHBondContact O-N 2.74Å; G190-V192 WeakPolarHBondContact O-CG2 3.25Å; G190-V192 PolarHBondContact O-N 3.41Å
191P84.8Confident90.8Very high84 Ų8460.4 Ų60.455%0.54533%0.33SS..  trans-63.8127.3-175.6-23.434.8000113L184 L185L184-P191 HydrophobicContact CB-CB 3.73Å; L184-P191 HydrophobicContact CD1-CB 3.67Å; L184-P191 HydrophobicContact CG-CB 4.26Å; L185-P191 CarbonylContact O-C 3.55Å; L185-P191 VanDerWaalsContact O-CA 3.3Å; L185-P191 WeakPolarHBondContact O-CA 3.3Å
192V87.1Confident91Very high81 Ų8157 Ų5749%0.49132%0.317SS..EExtended strand (participates in β ladder)trans-110.1141.9-176.9-176.10000111.2L184 L185 G190L184-V192 CarbonylContact C-O 3.6Å; L184-V192 VanDerWaalsContact CA-O 3.29Å; L184-V192 WeakPolarHBondContact CA-O 3.42Å; L184-V192 WeakPolarHBondContact CB-O 3.46Å; L185-V192 PolarHBondContact N-O 2.87Å; L185-V192 PolarHBondContact O-N 3.38Å; G190-V192 WeakPolarHBondContact O-CG2 3.25Å; G190-V192 PolarHBondContact O-N 3.41Å
193K89.2Confident91.1Very high66 Ų6657.9 Ų57.929%0.28733%0.326SS..EExtended strand (participates in β ladder)trans-68.9137176.2-162.6175.494.4171.90111.3L184 E212 R239 Y240L184-K193 HydrophobicContact CD2-CB 4.18Å; K193-E212 VanDerWaalsContact CE-OE1 3.27Å; K193-E212 WeakPolarHBondContact CE-OE1 3.41Å; K193-E212 IonicContact NZ-OE1 3.81Å; K193-E212 PolarHBondContact NZ-OE1 2.84Å; K193-E212 IonicContact NZ-OE2 2.77Å; K193-R239 PolarHBondContact NZ-O 3.38Å; K193-Y240 HydrophobicContact CD-CD1 4.11Å; K193-Y240 HydrophobicContact CD-CE1 3.43Å; K193-Y240 VanDerWaalsContact CD-CE1 3.43Å; K193-Y240 HydrophobicContact CD-CE2 4.42Å; K193-Y240 HydrophobicContact CG-CE1 3.98Å; K193-Y240 WeakPolarHBondContact CG-OH 3.34Å; K193-Y240 VanDerWaalsContact NZ-CD1 3.27Å
194Q92.2Very high91.4Very high21 Ų2152 Ų5210%0.09831%0.306CS..PPolyproline II helixtrans-74.6147.8172.7-68.7-178.472.400111.1G180 R181 R183 L185G180-Q194 PolarHBondContact O-NE2 3.22Å; R181-Q194 VanDerWaalsContact NH1-OE1 3.15Å; R183-Q194 WeakPolarHBondContact O-CG 3.19Å; R183-Q194 PolarHBondContact O-NE2 2.78Å; L185-Q194 HydrophobicContact CD1-CG 3.67Å; L185-Q194 HydrophobicContact CD2-CG 4.18Å; L185-Q194 HydrophobicContact CG-CG 3.54Å
195P93.8Very high91.9Very high95 Ų9550.8 Ų50.862%0.61730%0.3SS*.PPolyproline II helixtrans-62.4140165.127.9-33.7000109.7R181R181-P195 WeakPolarHBondContact CD-O 3.01Å
196T97Very high92.4Very high5 Ų546.5 Ų46.53%0.03128%0.278CS..PPolyproline II helixtrans-98.1163.2178.360.80000110.6W172 N176 R181 E212 Y240W172-T196 HydrophobicContact CH2-CG2 3.98Å; W172-T196 HydrophobicContact CZ2-CG2 3.59Å; W172-T196 WeakPolarHBondContact CZ2-OG1 3.32Å; N176-T196 WeakPolarHBondContact OD1-CA 3.5Å; N176-T196 VanDerWaalsContact OD1-CB 3.28Å; N176-T196 WeakPolarHBondContact OD1-CB 3.32Å; R181-T196 HydrophobicContact CB-CG2 4.23Å; T196-E212 WeakPolarHBondContact CB-OE2 3.27Å; T196-E212 VanDerWaalsContact CG2-OE2 3.27Å; T196-E212 WeakPolarHBondContact CG2-OE2 3.34Å; T196-E212 WeakPolarHBondContact OG1-CB 3.29Å; T196-E212 PolarHBondContact OG1-OE2 2.87Å; T196-Y240 HydrophobicContact CG2-CD1 3.9Å; T196-Y240 HydrophobicContact CG2-CE1 3.6Å
197N98.2Very high93Very high11 Ų1140.4 Ų40.46%0.05924%0.239CC..  trans-105154.7174.4-76.4-45.2000110.8W172 N176 L179 K360 Y362W172-N197 VanDerWaalsContact CD1-O 3.29Å; W172-N197 PolarHBondContact NE1-O 3.15Å; N176-N197 PolarHBondContact ND2-O 3.28Å; N176-N197 PolarHBondContact OD1-N 3.04Å; L179-N197 HydrophobicContact CD1-CB 4.19Å; L179-N197 WeakPolarHBondContact CD1-ND2 3.49Å; N197-K360 VanDerWaalsContact CB-O 3.27Å; N197-K360 WeakPolarHBondContact CB-O 3.39Å; N197-K360 PolarHBondContact OD1-N 2.87Å; N197-K360 VanDerWaalsContact OD1-N 3.14Å; N197-K360 PolarHBondContact OD1-O 3.42Å; N197-Y362 HydrophobicContact CB-CD2 4.02Å; N197-Y362 HydrophobicContact CB-CE2 3.93Å
198G98.4Very high93.7Very high0 Ų039 Ų390%022%0.224CC..EExtended strand (participates in β ladder)trans-76.2159.8173.700000112.4A210 K360 F361 Y362G198-A210 CarbonylContact C-O 3.38Å; G198-A210 WeakPolarHBondContact CA-O 3.43Å; G198-K360 PolarHBondContact N-O 2.85Å; G198-F361 WeakPolarHBondContact O-CA 3.12Å; G198-Y362 PolarHBondContact O-N 3Å
199M98.6Very high94.2Very high1 Ų130.5 Ų30.51%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-124.5136.1175-178.3-81.5-68.600109.3G168 W172 V175 D201 Q208 I209 A210 L364G168-M199 WeakPolarHBondContact O-CE 3.36Å; W172-M199 HydrophobicContact CB-CB 4.19Å; V175-M199 HydrophobicContact CG2-CB 4.03Å; V175-M199 HydrophobicContact CG2-CG 3.85Å; M199-D201 HydrophobicContact SD-CB 3.76Å; M199-Q208 HydrophobicContact CE-CB 4.48Å; M199-I209 WeakPolarHBondContact O-CA 3.29Å; M199-A210 HydrophobicContact CE-CB 4.04Å; M199-A210 PolarHBondContact N-O 3.44Å; M199-A210 PolarHBondContact O-N 2.89Å; M199-L364 HydrophobicContact CG-CD1 4.16Å; M199-L364 HydrophobicContact SD-CD1 4.42Å
200L98.6Very high94.9Very high0 Ų020.7 Ų20.70%013%0.133CC..EExtended strand (participates in β ladder)trans-124.3130.2167.8-73.9163.4000108.3Q208 I209 F361 Y362 G363 L364 F367 F439 L443 F445 L452L200-Q208 WeakPolarHBondContact CA-O 3.36Å; L200-I209 HydrophobicContact CD2-CB 3.73Å; L200-I209 HydrophobicContact CD2-CD1 3.96Å; L200-I209 HydrophobicContact CD2-CG1 3.7Å; L200-F361 HydrophobicContact CD1-CB 4Å; L200-F361 HydrophobicContact CD1-CD1 4.03Å; L200-F361 HydrophobicContact CD1-CG 4.31Å; L200-F361 HydrophobicContact CG-CD1 3.85Å; L200-Y362 PolarHBondContact N-O 3.21Å; L200-G363 CarbonylContact O-C 3.58Å; L200-G363 WeakPolarHBondContact O-CA 3.25Å; L200-L364 PolarHBondContact O-N 3.05Å; L200-F367 HydrophobicContact CB-CD2 4.06Å; L200-F367 HydrophobicContact CB-CE2 3.67Å; L200-F367 HydrophobicContact CB-CZ 3.97Å; L200-F367 HydrophobicContact CD1-CE1 4.27Å; L200-F367 HydrophobicContact CD1-CZ 4.13Å; L200-F367 HydrophobicContact CD2-CZ 4.31Å; L200-F367 HydrophobicContact CG-CE2 4.5Å; L200-F367 HydrophobicContact CG-CZ 4.36Å; L200-F439 HydrophobicContact CD1-CD2 3.89Å; L200-F439 HydrophobicContact CD1-CE2 3.56Å; L200-L443 HydrophobicContact CD2-CD1 3.62Å; L200-F445 HydrophobicContact CD1-CZ 4.36Å; L200-L452 HydrophobicContact CD1-CD1 4Å
201D98.3Very high95.7Very high12 Ų1219.4 Ų19.46%0.06412%0.12CC..EExtended strand (participates in β ladder)trans-128.4131.9172-173.413.7000108.6M199 M207 Q208 L364 S365M199-D201 HydrophobicContact SD-CB 3.76Å; D201-M207 CarbonylContact O-C 3.57Å; D201-M207 WeakPolarHBondContact O-CA 3.3Å; D201-M207 VanDerWaalsContact O-CG 3.3Å; D201-M207 WeakPolarHBondContact O-CG 3.46Å; D201-Q208 PolarHBondContact N-O 3.24Å; D201-Q208 PolarHBondContact O-N 3.27Å; D201-Q208 PolarHBondContact O-OE1 2.96Å; D201-L364 HydrophobicContact CB-CB 4.21Å; D201-S365 WeakPolarHBondContact OD1-CB 3.4Å; D201-S365 PolarHBondContact OD1-OG 2.96Å
202M97.9Very high96.3Very high0 Ų016.6 Ų16.60%010%0.099CC..EExtended strand (participates in β ladder)trans-123.891.9173.2-174.8-174.6-7000108M207 M252 S365 E366 F367 Y434 A438M202-M207 HydrophobicContact CB-CB 4.5Å; M202-M207 HydrophobicContact CB-CG 4.17Å; M202-M207 HydrophobicContact CE-CG 4.3Å; M202-M207 HydrophobicContact CE-SD 3.42Å; M202-M207 WeakPolarHBondContact CE-SD 3.22Å; M202-M207 HydrophobicContact CG-CB 4.34Å; M202-M207 HydrophobicContact CG-CG 4.4Å; M202-M252 HydrophobicContact SD-CE 3.72Å; M202-S365 WeakPolarHBondContact O-CB 3.18Å; M202-E366 HydrophobicContact CB-CB 4.11Å; M202-E366 HydrophobicContact CG-CB 4.06Å; M202-E366 VanDerWaalsContact O-CB 3.25Å; M202-E366 WeakPolarHBondContact O-CB 3.45Å; M202-E366 VanDerWaalsContact O-CG 3.25Å; M202-E366 WeakPolarHBondContact O-CG 3.45Å; M202-E366 PolarHBondContact O-N 3.22Å; M202-E366 HydrophobicContact SD-CB 4.06Å; M202-F367 HydrophobicContact CB-CD2 3.73Å; M202-F367 HydrophobicContact CB-CE2 3.68Å; M202-F367 HydrophobicContact CE-CE2 4.26Å; M202-F367 HydrophobicContact CE-CZ 4.22Å; M202-Y434 HydrophobicContact CE-CD1 4.38Å; M202-Y434 HydrophobicContact CE-CE1 3.85Å; M202-Y434 HydrophobicContact SD-CD1 4.09Å; M202-Y434 HydrophobicContact SD-CE1 3.71Å; M202-A438 HydrophobicContact CE-CB 4.14Å
203G96Very high96.6Very high19 Ų1913.5 Ų13.520%0.1968%0.08CC..  trans-77.7-166.8175.400000112.5S206 G251 M252G203-S206 PolarHBondContact N-O 3.11Å; G203-G251 CarbonylContact O-C 3.36Å; G203-G251 WeakPolarHBondContact O-CA 3.35Å; G203-M252 PolarHBondContact O-N 2.93Å
204G94.2Very high96.6Very high8 Ų819.1 Ų19.18%0.08211%0.108CC..SBendtrans-72.2-32.7179.200000113.9S42 G251 N253 S254S42-G204 WeakPolarHBondContact OG-CA 3.45Å; G204-G251 CarbonylContact O-C 3.57Å; G204-G251 VanDerWaalsContact O-C 3.31Å; G204-N253 WeakPolarHBondContact O-CA 3.45Å; G204-N253 WeakPolarHBondContact O-CB 3.33Å; G204-N253 PolarHBondContact O-N 3.36Å; G204-S254 PolarHBondContact O-N 3.49Å; G204-S254 VanDerWaalsContact O-N 3.09Å
205A96Very high96.3Very high3 Ų320.5 Ų20.53%0.02512%0.12CC..SBendtrans-119.6-21.5-171.900000115.4S42 A125 L129 G249 G251 S254S42-A205 PolarHBondContact OG-N 3.07Å; A125-A205 HydrophobicContact CB-CB 3.55Å; L129-A205 HydrophobicContact CD1-CB 3.81Å; A205-G249 VanDerWaalsContact O-CA 3.27Å; A205-G249 WeakPolarHBondContact O-CA 3.19Å; A205-G249 PolarHBondContact O-N 2.95Å; A205-G251 VanDerWaalsContact C-CA 3.46Å; A205-G251 VanDerWaalsContact C-N 3.34Å; A205-G251 PolarHBondContact O-N 3.46Å; A205-S254 WeakPolarHBondContact CA-OG 3.43Å
206S97Very high95.9Very high2 Ų216.9 Ų16.91%0.01410%0.096CC..EExtended strand (participates in β ladder)trans-140.9163.9174.355.60000111.7A125 G203 Q208 Y247 G251A125-S206 WeakPolarHBondContact CB-OG 3.39Å; G203-S206 PolarHBondContact N-O 3.11Å; S206-Q208 PolarHBondContact OG-NE2 3.22Å; S206-Y247 VanDerWaalsContact CA-O 3.3Å; S206-Y247 WeakPolarHBondContact CA-O 3.32Å; S206-Y247 WeakPolarHBondContact CB-O 3.08Å; S206-G251 VanDerWaalsContact CA-N 3.31Å; S206-G251 VanDerWaalsContact N-CA 3.34Å; S206-G251 WeakPolarHBondContact O-CA 3.29Å
207M98.3Very high95.2Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-119.6146.8169.2-178.5-179.369.800109.3D201 M202 S246 Y247 I346 F367 A438 L443D201-M207 CarbonylContact O-C 3.57Å; D201-M207 WeakPolarHBondContact O-CA 3.3Å; D201-M207 VanDerWaalsContact O-CG 3.3Å; D201-M207 WeakPolarHBondContact O-CG 3.46Å; M202-M207 HydrophobicContact CB-CB 4.5Å; M202-M207 HydrophobicContact CB-CG 4.17Å; M202-M207 HydrophobicContact CE-CG 4.3Å; M202-M207 HydrophobicContact CE-SD 3.42Å; M202-M207 WeakPolarHBondContact CE-SD 3.22Å; M202-M207 HydrophobicContact CG-CB 4.34Å; M202-M207 HydrophobicContact CG-CG 4.4Å; M207-S246 CarbonylContact O-C 3.43Å; M207-S246 WeakPolarHBondContact O-CA 3.47Å; M207-Y247 HydrophobicContact CE-CD2 3.89Å; M207-Y247 HydrophobicContact CE-CE2 4.36Å; M207-Y247 PolarHBondContact N-O 2.87Å; M207-Y247 PolarHBondContact O-N 2.88Å; M207-I346 HydrophobicContact CE-CD1 3.39Å; M207-F367 HydrophobicContact CG-CE2 4.44Å; M207-F367 HydrophobicContact SD-CE2 4.33Å; M207-F367 HydrophobicContact SD-CZ 4.22Å; M207-A438 HydrophobicContact SD-CB 4.39Å; M207-L443 HydrophobicContact CE-CD1 3.87Å; M207-L443 HydrophobicContact CE-CD2 4.02Å; M207-L443 HydrophobicContact CE-CG 4.06Å; M207-L443 HydrophobicContact SD-CD1 4.23Å
208Q98.3Very high94.5Very high0 Ų028.6 Ų28.60%016%0.158CC..EExtended strand (participates in β ladder)trans-130.9145.4-177.8-59.876.37.500109.7E167 M199 L200 D201 S206 K245E167-Q208 HydrophobicContact CB-CG 4.5Å; E167-Q208 HydrophobicContact CG-CG 4.44Å; E167-Q208 PolarHBondContact OE2-NE2 2.95Å; M199-Q208 HydrophobicContact CE-CB 4.48Å; L200-Q208 WeakPolarHBondContact CA-O 3.36Å; D201-Q208 PolarHBondContact N-O 3.24Å; D201-Q208 PolarHBondContact O-N 3.27Å; D201-Q208 PolarHBondContact O-OE1 2.96Å; S206-Q208 PolarHBondContact OG-NE2 3.22Å; Q208-K245 VanDerWaalsContact CA-O 3.29Å; Q208-K245 WeakPolarHBondContact CA-O 3.31Å
209I98.5Very high94.1Very high0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-130.9136.1168.7-176172.4000107.8M199 L200 Y211 Y243 V244 K245 Y247 F361 L443 F445M199-I209 WeakPolarHBondContact O-CA 3.29Å; L200-I209 HydrophobicContact CD2-CB 3.73Å; L200-I209 HydrophobicContact CD2-CD1 3.96Å; L200-I209 HydrophobicContact CD2-CG1 3.7Å; I209-Y211 HydrophobicContact CD1-CD1 4.02Å; I209-Y211 HydrophobicContact CD1-CE1 3.68Å; I209-Y211 HydrophobicContact CG1-CD1 3.82Å; I209-Y211 HydrophobicContact CG1-CE1 3.85Å; I209-Y243 HydrophobicContact CG2-CD1 4.42Å; I209-Y243 HydrophobicContact CG2-CE1 3.86Å; I209-V244 WeakPolarHBondContact O-CA 3.25Å; I209-K245 HydrophobicContact CG2-CB 3.96Å; I209-K245 PolarHBondContact N-O 2.94Å; I209-K245 PolarHBondContact O-N 3.09Å; I209-Y247 HydrophobicContact CG2-CE2 4.08Å; I209-F361 HydrophobicContact CD1-CE1 4.09Å; I209-F361 HydrophobicContact CG1-CE1 3.97Å; I209-L443 HydrophobicContact CD1-CD1 4.47Å; I209-F445 HydrophobicContact CD1-CE2 3.97Å; I209-F445 HydrophobicContact CD1-CZ 4.31Å
210A98.6Very high93.7Very high0 Ų031.7 Ų31.70%018%0.178CC..EExtended strand (participates in β ladder)trans-146.9131.5175.300000110.7G168 W172 G198 M199 Y243 V244G168-A210 WeakPolarHBondContact O-CB 3.48Å; W172-A210 HydrophobicContact CB-CB 3.69Å; W172-A210 HydrophobicContact CG-CB 4.28Å; G198-A210 CarbonylContact C-O 3.38Å; G198-A210 WeakPolarHBondContact CA-O 3.43Å; M199-A210 HydrophobicContact CE-CB 4.04Å; M199-A210 PolarHBondContact N-O 3.44Å; M199-A210 PolarHBondContact O-N 2.89Å; A210-Y243 VanDerWaalsContact CA-O 3.27Å; A210-Y243 WeakPolarHBondContact CA-O 3.3Å; A210-V244 HydrophobicContact CB-CG1 4.25Å; A210-V244 HydrophobicContact CB-CG2 4.04Å
211Y98.2Very high93.4Very high0 Ų038.9 Ų38.90%022%0.217CC..EExtended strand (participates in β ladder)trans-157.5158.1176.954.2-82.1000111.2I209 V213 L242 Y243 Q351 L352 P354 M359 F361I209-Y211 HydrophobicContact CD1-CD1 4.02Å; I209-Y211 HydrophobicContact CD1-CE1 3.68Å; I209-Y211 HydrophobicContact CG1-CD1 3.82Å; I209-Y211 HydrophobicContact CG1-CE1 3.85Å; Y211-V213 HydrophobicContact CD2-CG1 3.84Å; Y211-V213 HydrophobicContact CE2-CG1 3.6Å; Y211-L242 CarbonylContact O-C 3.56Å; Y211-L242 VanDerWaalsContact O-CA 3.24Å; Y211-L242 WeakPolarHBondContact O-CA 3.45Å; Y211-Y243 HydrophobicContact CD1-CD1 4.17Å; Y211-Y243 AromaticContact CE1-CD1 3.32Å; Y211-Y243 HydrophobicContact CE1-CD1 3.32Å; Y211-Y243 HydrophobicContact CE1-CE1 4.08Å; Y211-Y243 AromaticContact CE1-CG 3.93Å; Y211-Y243 HydrophobicContact CE1-CG 3.93Å; Y211-Y243 HydrophobicContact CE2-CG 4.45Å; Y211-Y243 AromaticContact CZ-CD1 3.59Å; Y211-Y243 AromaticContact CZ-CG 3.74Å; Y211-Y243 PolarHBondContact N-O 2.98Å; Y211-Y243 PolarHBondContact O-N 3.23Å; Y211-Y243 WeakPolarHBondContact OH-CD1 3.5Å; Y211-Q351 VanDerWaalsContact OH-CG 3.28Å; Y211-Q351 WeakPolarHBondContact OH-CG 3.29Å; Y211-L352 PolarHBondContact OH-O 3.13Å; Y211-P354 HydrophobicContact CD2-CB 3.86Å; Y211-P354 HydrophobicContact CE2-CB 3.87Å; Y211-P354 HydrophobicContact CG-CB 4.39Å; Y211-M359 VanDerWaalsContact CB-SD 3.54Å; Y211-M359 HydrophobicContact CD2-SD 4.44Å; Y211-M359 HydrophobicContact CG-SD 4.29Å; Y211-F361 AromaticContact CD1-CE1 3.76Å; Y211-F361 HydrophobicContact CD1-CE1 3.76Å; Y211-F361 AromaticContact CD1-CZ 3.62Å; Y211-F361 HydrophobicContact CD1-CZ 3.62Å; Y211-F361 HydrophobicContact CE1-CZ 4.39Å; Y211-F361 HydrophobicContact CG-CE1 4.17Å; Y211-F361 AromaticContact CG-CZ 3.72Å; Y211-F361 HydrophobicContact CG-CZ 3.72Å
212E97.1Very high93.1Very high24 Ų2442.4 Ų42.411%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-76139.1178.1-170.2-177.3173.700112W172 K193 T196 K241 L242W172-E212 HydrophobicContact CZ2-CB 4.27Å; K193-E212 VanDerWaalsContact CE-OE1 3.27Å; K193-E212 WeakPolarHBondContact CE-OE1 3.41Å; K193-E212 IonicContact NZ-OE1 3.81Å; K193-E212 PolarHBondContact NZ-OE1 2.84Å; K193-E212 IonicContact NZ-OE2 2.77Å; T196-E212 WeakPolarHBondContact CB-OE2 3.27Å; T196-E212 VanDerWaalsContact CG2-OE2 3.27Å; T196-E212 WeakPolarHBondContact CG2-OE2 3.34Å; T196-E212 WeakPolarHBondContact OG1-CB 3.29Å; T196-E212 PolarHBondContact OG1-OE2 2.87Å; E212-K241 WeakPolarHBondContact CA-O 3.47Å; E212-K241 WeakPolarHBondContact CG-O 3.33Å; E212-L242 HydrophobicContact CB-CD2 3.87Å; E212-L242 HydrophobicContact CG-CD2 4.3Å
213V94.7Very high92.9Very high16 Ų1642.7 Ų42.710%0.09724%0.243CC..  trans-125.3144.5177.1-65.50000110.4Y211 T216 K241Y211-V213 HydrophobicContact CD2-CG1 3.84Å; Y211-V213 HydrophobicContact CE2-CG1 3.6Å; V213-T216 HydrophobicContact CG2-CG2 3.59Å; V213-K241 PolarHBondContact N-O 3.02Å
214Q88Confident92.9Very high184 Ų18443 Ų4386%0.8624%0.241SC*.SBendtrans-72.3-37.4-179.5-63.1-62.1-23.900112.4
215S87Confident93Very high50 Ų5043.5 Ų43.535%0.3524%0.244SC..  trans-134.4146.8175.7170.40000110.6D217S215-D217 PolarHBondContact OG-N 3.26Å; S215-D217 PolarHBondContact OG-OD2 2.96Å
216T84.4Confident92.9Very high20 Ų2047.1 Ų47.112%0.12326%0.26CS..  trans-118.16.5177.456.10000111.8V213 N218 L219 V224 K241V213-T216 HydrophobicContact CG2-CG2 3.59Å; T216-N218 PolarHBondContact O-N 2.95Å; T216-N218 VanDerWaalsContact O-N 3.12Å; T216-L219 PolarHBondContact O-N 3.44Å; T216-V224 HydrophobicContact CG2-CB 4.46Å; T216-V224 HydrophobicContact CG2-CG1 3.66Å; T216-V224 HydrophobicContact CG2-CG2 3.92Å; T216-K241 HydrophobicContact CG2-CB 3.97Å; T216-K241 HydrophobicContact CG2-CD 4.05Å
217D83.6Confident92.7Very high133 Ų13347.3 Ų47.371%0.71126%0.261SS*.THydrogen-bonded Turntrans-63.8-27.2-163.6-58.8-34.1000113.1S215S215-D217 PolarHBondContact OG-N 3.26Å; S215-D217 PolarHBondContact OG-OD2 2.96Å
218N83.4Confident92.3Very high128 Ų12849.3 Ų49.368%0.68427%0.274SS*.THydrogen-bonded Turntrans-100-0.6179.5-62.2-37.6000113.5T216 P341T216-N218 PolarHBondContact O-N 2.95Å; T216-N218 VanDerWaalsContact O-N 3.12Å; N218-P341 HydrophobicContact CB-CG 4.31Å; N218-P341 WeakPolarHBondContact O-CD 3.43Å; N218-P341 WeakPolarHBondContact O-CG 3.48Å
219L89.3Confident91.7Very high11 Ų1149.3 Ų49.36%0.05827%0.274CS..SBendtrans-93.5140-177.3-78.4173.4000111.6T216 N221 L223 V224 Y243 P341 L352T216-L219 PolarHBondContact O-N 3.44Å; L219-N221 PolarHBondContact O-N 2.88Å; L219-L223 HydrophobicContact CD2-CD1 4.2Å; L219-V224 HydrophobicContact CB-CG2 3.77Å; L219-V224 HydrophobicContact CD1-CG2 4.2Å; L219-Y243 HydrophobicContact CD1-CD2 3.86Å; L219-Y243 HydrophobicContact CD2-CD2 4.21Å; L219-Y243 HydrophobicContact CD2-CE2 4.22Å; L219-P341 HydrophobicContact CD2-CG 4.4Å; L219-L352 HydrophobicContact CD1-CD1 3.48Å; L219-L352 VanDerWaalsContact CD1-CD1 3.48Å; L219-L352 HydrophobicContact CD1-CG 3.84Å; L219-L352 HydrophobicContact CD2-CD1 4.4Å; L219-L352 HydrophobicContact CD2-CD2 4.36Å; L219-L352 HydrophobicContact CD2-CG 3.95Å; L219-L352 HydrophobicContact CG-CD1 3.8Å; L219-L352 HydrophobicContact CG-CD2 4.45Å; L219-L352 HydrophobicContact CG-CG 3.92Å
220P90.5Very high90.6Very high56 Ų5650.8 Ų50.836%0.36428%0.283SS..  trans-54.8137.6165-24.132000111.6S222 L223P220-S222 PolarHBondContact O-N 3.2Å; P220-L223 HydrophobicContact CB-CG 4.49Å; P220-L223 HydrophobicContact CG-CD1 4.22Å; P220-L223 PolarHBondContact O-N 3.36Å
221N91.4Very high89.1Confident151 Ų15154 Ų5481%0.80730%0.296SS*.G310 helixtrans-54.1-26.5178.1-69-14.4000113.6L219 L223 V224L219-N221 PolarHBondContact O-N 2.88Å; N221-L223 PolarHBondContact O-N 2.83Å; N221-V224 PolarHBondContact O-N 3.5Å
222S92.7Very high87.4Confident85 Ų8556 Ų5659%0.59431%0.307SS*.G310 helixtrans-70.1-11.4177.358.50000114.6P220P220-S222 PolarHBondContact O-N 3.2Å
223L95Very high85.4Confident6 Ų664.6 Ų64.63%0.03134%0.338CS..G310 helixtrans-106.1-1.7176.7-58.5-179.6000112.4L219 P220 N221 Y243 V244 K245 V349 A350L219-L223 HydrophobicContact CD2-CD1 4.2Å; P220-L223 HydrophobicContact CB-CG 4.49Å; P220-L223 HydrophobicContact CG-CD1 4.22Å; P220-L223 PolarHBondContact O-N 3.36Å; N221-L223 PolarHBondContact O-N 2.83Å; L223-Y243 HydrophobicContact CB-CD2 4.21Å; L223-Y243 HydrophobicContact CB-CE2 3.95Å; L223-Y243 HydrophobicContact CD1-CE2 3.96Å; L223-Y243 HydrophobicContact CG-CE2 4.37Å; L223-Y243 CarbonylContact O-C 3.6Å; L223-Y243 WeakPolarHBondContact O-CA 3.32Å; L223-V244 PolarHBondContact O-N 2.98Å; L223-K245 HydrophobicContact CD2-CB 4.41Å; L223-K245 HydrophobicContact CD2-CD 3.66Å; L223-K245 HydrophobicContact CD2-CG 4.44Å; L223-V349 HydrophobicContact CD1-CG1 4.13Å; L223-V349 HydrophobicContact CD2-CG1 3.86Å; L223-A350 HydrophobicContact CD1-CB 4.27Å; L223-A350 WeakPolarHBondContact CD1-O 3.48Å
224V96.1Very high83.7Confident26 Ų2670.4 Ų70.416%0.15836%0.362CS..EExtended strand (participates in β ladder)trans-111.6133.9-174.8-179.60000109.2T216 L219 N221 L242T216-V224 HydrophobicContact CG2-CB 4.46Å; T216-V224 HydrophobicContact CG2-CG1 3.66Å; T216-V224 HydrophobicContact CG2-CG2 3.92Å; L219-V224 HydrophobicContact CB-CG2 3.77Å; L219-V224 HydrophobicContact CD1-CG2 4.2Å; N221-V224 PolarHBondContact O-N 3.5Å; V224-L242 WeakPolarHBondContact CA-O 3.37Å
225S96.2Very high82.5Confident18 Ų1863 Ų6313%0.12633%0.331CS..EExtended strand (participates in β ladder)trans-131.2151.8168.5-67.70000109.8V165 L242V165-S225 WeakPolarHBondContact CG1-OG 3.49Å; S225-L242 PolarHBondContact N-O 3.04Å; S225-L242 PolarHBondContact O-N 3.32Å
226E93Very high81.5Confident80 Ų8065.5 Ų65.537%0.37434%0.344SS..EExtended strand (participates in β ladder)trans-119.3140.3175.2-63.6-163.6172.500110.4R239 Y240 K241E226-R239 IonicContact OE1-NH2 2.71Å; E226-R239 IonicContact OE2-CZ 2.57Å; E226-R239 IonicContact OE2-NE 3.66Å; E226-R239 IonicContact OE2-NH2 3.8Å; E226-R239 PolarHBondContact OE2-NH2 3.34Å; E226-Y240 WeakPolarHBondContact CA-O 3.5Å; E226-K241 HydrophobicContact CG-CG 4.23Å; E226-K241 WeakPolarHBondContact OE1-CE 3.48Å
227F92.9Very high81.2Confident6 Ų668 Ų683%0.02636%0.357CS..EExtended strand (participates in β ladder)trans-128.7134.4169.3-177.8-121.9000108.7L62 L169 W172 I173 F182 V229 Y240 Y472L62-F227 HydrophobicContact CD1-CE1 4.43Å; L62-F227 HydrophobicContact CD1-CZ 4.26Å; L62-F227 HydrophobicContact CD2-CZ 4.04Å; L169-F227 HydrophobicContact CD1-CB 4.34Å; W172-F227 HydrophobicContact CZ3-CD1 4.07Å; I173-F227 HydrophobicContact CD1-CD1 4.23Å; I173-F227 HydrophobicContact CD1-CD2 3.64Å; I173-F227 HydrophobicContact CD1-CE1 4.27Å; I173-F227 HydrophobicContact CD1-CE2 3.72Å; I173-F227 HydrophobicContact CD1-CG 3.91Å; I173-F227 HydrophobicContact CD1-CZ 4.02Å; I173-F227 HydrophobicContact CG1-CD1 3.99Å; I173-F227 HydrophobicContact CG1-CD2 4.31Å; I173-F227 HydrophobicContact CG1-CE1 4.04Å; I173-F227 HydrophobicContact CG1-CE2 4.39Å; I173-F227 HydrophobicContact CG1-CG 4.1Å; I173-F227 HydrophobicContact CG1-CZ 4.25Å; I173-F227 HydrophobicContact CG2-CE1 4.25Å; I173-F227 HydrophobicContact CG2-CZ 4.16Å; F182-F227 HydrophobicContact CE1-CD1 4.06Å; F182-F227 AromaticContact CE1-CE1 3.95Å; F182-F227 HydrophobicContact CE1-CE1 3.95Å; F182-F227 HydrophobicContact CE2-CE1 4.06Å; F182-F227 HydrophobicContact CZ-CD1 4.04Å; F182-F227 AromaticContact CZ-CE1 3.7Å; F182-F227 HydrophobicContact CZ-CE1 3.7Å; F227-V229 HydrophobicContact CD1-CG2 3.84Å; F227-V229 HydrophobicContact CE1-CG2 3.24Å; F227-V229 HydrophobicContact CZ-CG2 3.68Å; F227-Y240 HydrophobicContact CD1-CD2 4.29Å; F227-Y240 PolarHBondContact N-O 3.09Å; F227-Y240 WeakPolarHBondContact O-CB 3.42Å; F227-Y240 WeakPolarHBondContact O-CD2 3.47Å; F227-Y240 PolarHBondContact O-N 3.26Å; F227-Y472 AromaticContact CD2-CD2 3.83Å; F227-Y472 HydrophobicContact CD2-CD2 3.83Å; F227-Y472 HydrophobicContact CD2-CE2 4.19Å; F227-Y472 AromaticContact CE2-CD2 3.93Å; F227-Y472 HydrophobicContact CE2-CD2 3.93Å
228S89.4Confident81.3Confident41 Ų4162 Ų6229%0.28732%0.324SS..EExtended strand (participates in β ladder)trans-126134-177.6-63.30000109.9N237 Q238S228-N237 WeakPolarHBondContact CB-OD1 3.36Å; S228-Q238 CarbonylContact C-O 3.55Å; S228-Q238 VanDerWaalsContact CA-O 3.31Å; S228-Q238 WeakPolarHBondContact CA-O 3.43Å
229V85.3Confident81.6Confident0 Ų062.3 Ų62.30%032%0.316CS..EExtended strand (participates in β ladder)trans-125.9112.9178-169.40000109.3S60 L62 F182 F227 Q238 Y240S60-V229 WeakPolarHBondContact O-CG1 3.2Å; L62-V229 HydrophobicContact CD1-CG2 4.47Å; L62-V229 HydrophobicContact CD2-CG1 4.11Å; L62-V229 HydrophobicContact CD2-CG2 4.36Å; L62-V229 HydrophobicContact CG-CG1 3.93Å; L62-V229 HydrophobicContact CG-CG2 4.46Å; F182-V229 HydrophobicContact CD1-CG2 4.33Å; F182-V229 HydrophobicContact CG-CG2 4.47Å; F227-V229 HydrophobicContact CD1-CG2 3.84Å; F227-V229 HydrophobicContact CE1-CG2 3.24Å; F227-V229 HydrophobicContact CZ-CG2 3.68Å; V229-Q238 HydrophobicContact CB-CB 4.4Å; V229-Q238 PolarHBondContact N-O 3.09Å; V229-Q238 WeakPolarHBondContact O-CB 3.14Å; V229-Q238 PolarHBondContact O-N 3.24Å; V229-Y240 HydrophobicContact CG2-CE2 4.21Å
230T75.4Confident81.8Confident31 Ų3161.8 Ų61.819%0.1931%0.313CS..  trans-107.6131.8172.3-49.90000108.2N232 N237 K475T230-N232 WeakPolarHBondContact CG2-O 3.35Å; T230-N237 PolarHBondContact OG1-OD1 3.14Å; T230-K475 PolarHBondContact O-NZ 3.45Å
231R67.2Low82.1Confident69 Ų6962.4 Ų62.426%0.2631%0.31SS..SBendtrans-81-43.7-179.2-60.8-175.6-169.4176.8-4.4112.8L59 L184 S235L59-R231 PolarHBondContact O-NE 3.08Å; L184-R231 VanDerWaalsContact CA-NH2 3.31Å; R231-S235 PolarHBondContact N-OG 3.26Å; R231-S235 VanDerWaalsContact N-OG 3.09Å
232N62.9Low82.3Confident42 Ų4255.2 Ų55.223%0.22527%0.272CS..SBendtrans-158.6163.1-178.14119.4000108.6T230 F234 S235T230-N232 WeakPolarHBondContact CG2-O 3.35Å; N232-F234 HydrophobicContact CB-CD1 4.41Å; N232-F234 HydrophobicContact CB-CE1 4.01Å; N232-F234 HydrophobicContact CB-CZ 4.29Å; N232-F234 WeakPolarHBondContact ND2-CZ 3.18Å; N232-F234 PolarHBondContact O-N 3.26Å; N232-S235 PolarHBondContact N-OG 3.25Å; N232-S235 VanDerWaalsContact N-OG 3.08Å; N232-S235 PolarHBondContact O-N 2.98Å; N232-S235 PolarHBondContact O-OG 3.1Å; N232-S235 WeakPolarHBondContact OD1-CB 3.33Å; N232-S235 PolarHBondContact OD1-OG 2.93Å
233W56.2Low82.6Confident203 Ų20351.2 Ų51.277%0.76924%0.243SC*.THydrogen-bonded Turntrans-56.9-21.7-17069.3-92.4000115
234F58.1Low82.7Confident139 Ų13950.9 Ų50.961%0.6124%0.242SC*.THydrogen-bonded Turntrans-104.6-2.6178.355.9-89.2000114.4N232N232-F234 HydrophobicContact CB-CD1 4.41Å; N232-F234 HydrophobicContact CB-CE1 4.01Å; N232-F234 HydrophobicContact CB-CZ 4.29Å; N232-F234 WeakPolarHBondContact ND2-CZ 3.18Å; N232-F234 PolarHBondContact O-N 3.26Å
235S62.6Low82.8Confident28 Ų2852.1 Ų52.120%0.19625%0.245CC..SBendtrans-81.1153.4177.457.60000113.2R231 N232 N237R231-S235 PolarHBondContact N-OG 3.26Å; R231-S235 VanDerWaalsContact N-OG 3.09Å; N232-S235 PolarHBondContact N-OG 3.25Å; N232-S235 VanDerWaalsContact N-OG 3.08Å; N232-S235 PolarHBondContact O-N 2.98Å; N232-S235 PolarHBondContact O-OG 3.1Å; N232-S235 WeakPolarHBondContact OD1-CB 3.33Å; N232-S235 PolarHBondContact OD1-OG 2.93Å; S235-N237 PolarHBondContact O-N 2.68Å
236T66.7Low82.8Confident103 Ų10352.1 Ų52.163%0.63225%0.245SC*.PPolyproline II helixtrans-57.8119.3168.9-36.20000110.4Q238T236-Q238 PolarHBondContact O-N 3.31Å
237N76.7Confident83Confident72 Ų7248.5 Ų48.539%0.38523%0.228SC..PPolyproline II helixtrans-64.3118.7173.4-17910.3000110S228 T230 S235 R239S228-N237 WeakPolarHBondContact CB-OD1 3.36Å; T230-N237 PolarHBondContact OG1-OD1 3.14Å; S235-N237 PolarHBondContact O-N 2.68Å; N237-R239 PolarHBondContact O-N 3.35Å
238Q86.1Confident83.1Confident7 Ų751.6 Ų51.63%0.03324%0.244CC..EExtended strand (participates in β ladder)trans-84.7100.4176.5-59.8179.668.400109.4F182 L184 S228 V229 T236 Y240F182-Q238 PolarHBondContact O-NE2 3.19Å; F182-Q238 PolarHBondContact O-OE1 3.08Å; L184-Q238 HydrophobicContact CD1-CG 4.49Å; L184-Q238 VanDerWaalsContact CD2-CD 3.42Å; L184-Q238 HydrophobicContact CD2-CG 3.75Å; L184-Q238 HydrophobicContact CG-CG 4.31Å; S228-Q238 CarbonylContact C-O 3.55Å; S228-Q238 VanDerWaalsContact CA-O 3.31Å; S228-Q238 WeakPolarHBondContact CA-O 3.43Å; V229-Q238 HydrophobicContact CB-CB 4.4Å; V229-Q238 PolarHBondContact N-O 3.09Å; V229-Q238 WeakPolarHBondContact O-CB 3.14Å; V229-Q238 PolarHBondContact O-N 3.24Å; T236-Q238 PolarHBondContact O-N 3.31Å; Q238-Y240 HydrophobicContact CB-CE2 3.66Å; Q238-Y240 WeakPolarHBondContact O-CD2 3.31Å; Q238-Y240 WeakPolarHBondContact O-CE2 3.49Å; Q238-Y240 PolarHBondContact OE1-OH 3.21Å
239R90.2Very high83.4Confident135 Ų13550 Ų5051%0.50924%0.235SC..EExtended strand (participates in β ladder)trans-92.1134.7175.4-60.9-177.166.4-177.8-0.5110.7K193 E226 N237K193-R239 PolarHBondContact NZ-O 3.38Å; E226-R239 IonicContact OE1-NH2 2.71Å; E226-R239 IonicContact OE2-CZ 2.57Å; E226-R239 IonicContact OE2-NE 3.66Å; E226-R239 IonicContact OE2-NH2 3.8Å; E226-R239 PolarHBondContact OE2-NH2 3.34Å; N237-R239 PolarHBondContact O-N 3.35Å
240Y94.2Very high84Confident0 Ų050.1 Ų50.10%024%0.235CC..EExtended strand (participates in β ladder)trans-121.7117177-59.8-91.4000108W172 F182 K193 T196 E226 F227 V229 Q238W172-Y240 AromaticContact CH2-CD1 3.63Å; W172-Y240 HydrophobicContact CH2-CD1 3.63Å; W172-Y240 HydrophobicContact CH2-CE1 4.31Å; W172-Y240 AromaticContact CH2-CG 3.75Å; W172-Y240 HydrophobicContact CH2-CG 3.75Å; W172-Y240 HydrophobicContact CZ2-CD1 4.24Å; W172-Y240 HydrophobicContact CZ3-CG 4.45Å; F182-Y240 HydrophobicContact CD1-CD2 4.5Å; F182-Y240 HydrophobicContact CD1-CE1 4.25Å; F182-Y240 AromaticContact CD1-CE2 3.74Å; F182-Y240 HydrophobicContact CD1-CE2 3.74Å; F182-Y240 AromaticContact CD1-CZ 3.59Å; F182-Y240 HydrophobicContact CE1-CD2 4.32Å; F182-Y240 HydrophobicContact CE1-CE1 4.29Å; F182-Y240 AromaticContact CE1-CE2 3.99Å; F182-Y240 HydrophobicContact CE1-CE2 3.99Å; F182-Y240 AromaticContact CE1-CZ 3.98Å; K193-Y240 HydrophobicContact CD-CD1 4.11Å; K193-Y240 HydrophobicContact CD-CE1 3.43Å; K193-Y240 VanDerWaalsContact CD-CE1 3.43Å; K193-Y240 HydrophobicContact CD-CE2 4.42Å; K193-Y240 HydrophobicContact CG-CE1 3.98Å; K193-Y240 WeakPolarHBondContact CG-OH 3.34Å; K193-Y240 VanDerWaalsContact NZ-CD1 3.27Å; T196-Y240 HydrophobicContact CG2-CD1 3.9Å; T196-Y240 HydrophobicContact CG2-CE1 3.6Å; E226-Y240 WeakPolarHBondContact CA-O 3.5Å; F227-Y240 HydrophobicContact CD1-CD2 4.29Å; F227-Y240 PolarHBondContact N-O 3.09Å; F227-Y240 WeakPolarHBondContact O-CB 3.42Å; F227-Y240 WeakPolarHBondContact O-CD2 3.47Å; F227-Y240 PolarHBondContact O-N 3.26Å; V229-Y240 HydrophobicContact CG2-CE2 4.21Å; Q238-Y240 HydrophobicContact CB-CE2 3.66Å; Q238-Y240 WeakPolarHBondContact O-CD2 3.31Å; Q238-Y240 WeakPolarHBondContact O-CE2 3.49Å; Q238-Y240 PolarHBondContact OE1-OH 3.21Å
241K95.2Very high85Confident69 Ų6948.6 Ų48.630%0.323%0.226SC..EExtended strand (participates in β ladder)trans-96.7125.9171.7-70.8-174.3174.6-1730108.3E212 V213 T216 E226E212-K241 WeakPolarHBondContact CA-O 3.47Å; E212-K241 WeakPolarHBondContact CG-O 3.33Å; V213-K241 PolarHBondContact N-O 3.02Å; T216-K241 HydrophobicContact CG2-CB 3.97Å; T216-K241 HydrophobicContact CG2-CD 4.05Å; E226-K241 HydrophobicContact CG-CG 4.23Å; E226-K241 WeakPolarHBondContact OE1-CE 3.48Å
242L97.1Very high86.4Confident0 Ų045.4 Ų45.40%021%0.214CC..EExtended strand (participates in β ladder)trans-120.8135.1-170.3-54.1174.7000109.7L169 W172 Y211 E212 V224 S225 V244L169-L242 HydrophobicContact CD1-CD1 3.35Å; W172-L242 HydrophobicContact CD2-CD1 3.81Å; W172-L242 HydrophobicContact CD2-CD2 3.8Å; W172-L242 HydrophobicContact CD2-CG 4.47Å; W172-L242 VanDerWaalsContact CE2-CD2 3.45Å; W172-L242 HydrophobicContact CE3-CD1 3.54Å; W172-L242 HydrophobicContact CE3-CD2 4.06Å; W172-L242 HydrophobicContact CE3-CG 4.46Å; W172-L242 HydrophobicContact CG-CD1 4.39Å; W172-L242 HydrophobicContact CG-CD2 4.5Å; W172-L242 HydrophobicContact CH2-CD1 4.42Å; W172-L242 HydrophobicContact CH2-CD2 3.75Å; W172-L242 HydrophobicContact CZ2-CD2 3.42Å; W172-L242 VanDerWaalsContact CZ2-CD2 3.42Å; W172-L242 HydrophobicContact CZ3-CD1 3.88Å; W172-L242 HydrophobicContact CZ3-CD2 4.06Å; Y211-L242 CarbonylContact O-C 3.56Å; Y211-L242 VanDerWaalsContact O-CA 3.24Å; Y211-L242 WeakPolarHBondContact O-CA 3.45Å; E212-L242 HydrophobicContact CB-CD2 3.87Å; E212-L242 HydrophobicContact CG-CD2 4.3Å; V224-L242 WeakPolarHBondContact CA-O 3.37Å; S225-L242 PolarHBondContact N-O 3.04Å; S225-L242 PolarHBondContact O-N 3.32Å; L242-V244 HydrophobicContact CB-CG2 3.72Å
243Y97.4Very high88Confident0 Ų046.3 Ų46.30%022%0.219CC..EExtended strand (participates in β ladder)trans-74.8126.7154178.2-88.6000107.6I209 A210 Y211 L219 L223 K245 A350 Q351I209-Y243 HydrophobicContact CG2-CD1 4.42Å; I209-Y243 HydrophobicContact CG2-CE1 3.86Å; A210-Y243 VanDerWaalsContact CA-O 3.27Å; A210-Y243 WeakPolarHBondContact CA-O 3.3Å; Y211-Y243 HydrophobicContact CD1-CD1 4.17Å; Y211-Y243 AromaticContact CE1-CD1 3.32Å; Y211-Y243 HydrophobicContact CE1-CD1 3.32Å; Y211-Y243 HydrophobicContact CE1-CE1 4.08Å; Y211-Y243 AromaticContact CE1-CG 3.93Å; Y211-Y243 HydrophobicContact CE1-CG 3.93Å; Y211-Y243 HydrophobicContact CE2-CG 4.45Å; Y211-Y243 AromaticContact CZ-CD1 3.59Å; Y211-Y243 AromaticContact CZ-CG 3.74Å; Y211-Y243 PolarHBondContact N-O 2.98Å; Y211-Y243 PolarHBondContact O-N 3.23Å; Y211-Y243 WeakPolarHBondContact OH-CD1 3.5Å; L219-Y243 HydrophobicContact CD1-CD2 3.86Å; L219-Y243 HydrophobicContact CD2-CD2 4.21Å; L219-Y243 HydrophobicContact CD2-CE2 4.22Å; L223-Y243 HydrophobicContact CB-CD2 4.21Å; L223-Y243 HydrophobicContact CB-CE2 3.95Å; L223-Y243 HydrophobicContact CD1-CE2 3.96Å; L223-Y243 HydrophobicContact CG-CE2 4.37Å; L223-Y243 CarbonylContact O-C 3.6Å; L223-Y243 WeakPolarHBondContact O-CA 3.32Å; Y243-K245 HydrophobicContact CE1-CB 3.76Å; Y243-A350 VanDerWaalsContact CE2-O 3.27Å; Y243-A350 WeakPolarHBondContact CE2-O 3.33Å; Y243-A350 PolarHBondContact OH-O 3.32Å; Y243-Q351 HydrophobicContact CE1-CG 3.9Å; Y243-Q351 HydrophobicContact CE2-CB 4.42Å; Y243-Q351 HydrophobicContact CE2-CG 4.39Å
244V97.8Very high89.8Confident0 Ų037.9 Ų37.90%019%0.191CC..EExtended strand (participates in β ladder)trans-137.1124.8176.8-173.60000109.7V165 I209 A210 L223 L242V165-V244 HydrophobicContact CG1-CB 4.24Å; V165-V244 HydrophobicContact CG1-CG1 4.05Å; V165-V244 WeakPolarHBondContact O-CG1 3.27Å; I209-V244 WeakPolarHBondContact O-CA 3.25Å; A210-V244 HydrophobicContact CB-CG1 4.25Å; A210-V244 HydrophobicContact CB-CG2 4.04Å; L223-V244 PolarHBondContact O-N 2.98Å; L242-V244 HydrophobicContact CB-CG2 3.72Å
245K97.3Very high91.6Very high51 Ų5131.2 Ų31.222%0.22216%0.161CC..EExtended strand (participates in β ladder)trans-135.6137.4173.8-177.460.3178.5-164.90111.6Q208 I209 L223 Y243 Y247 V349Q208-K245 VanDerWaalsContact CA-O 3.29Å; Q208-K245 WeakPolarHBondContact CA-O 3.31Å; I209-K245 HydrophobicContact CG2-CB 3.96Å; I209-K245 PolarHBondContact N-O 2.94Å; I209-K245 PolarHBondContact O-N 3.09Å; L223-K245 HydrophobicContact CD2-CB 4.41Å; L223-K245 HydrophobicContact CD2-CD 3.66Å; L223-K245 HydrophobicContact CD2-CG 4.44Å; Y243-K245 HydrophobicContact CE1-CB 3.76Å; K245-Y247 HydrophobicContact CB-CE2 4.15Å; K245-Y247 HydrophobicContact CG-CD1 4.29Å; K245-Y247 HydrophobicContact CG-CD2 4.11Å; K245-Y247 HydrophobicContact CG-CE1 3.78Å; K245-Y247 HydrophobicContact CG-CE2 3.58Å; K245-Y247 HydrophobicContact CG-CG 4.44Å; K245-Y247 VanDerWaalsContact CG-CZ 3.41Å; K245-V349 HydrophobicContact CD-CG1 3.98Å; K245-V349 HydrophobicContact CG-CG1 4.17Å
246S97.2Very high93.3Very high18 Ų1830.4 Ų30.413%0.12615%0.154CC..EExtended strand (participates in β ladder)trans-114.2132.4165.6-1780000110.7R128 G164 M207R128-S246 PolarHBondContact NH1-OG 3.1Å; G164-S246 VanDerWaalsContact C-CB 3.42Å; G164-S246 WeakPolarHBondContact CA-OG 3.36Å; G164-S246 WeakPolarHBondContact O-CB 3.32Å; M207-S246 CarbonylContact O-C 3.43Å; M207-S246 WeakPolarHBondContact O-CA 3.47Å
247Y97.1Very high94.6Very high4 Ų432 Ų322%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-104.789.5176.9-59.7-82.2000108.9S206 M207 I209 K245 G249 Y250 A345 I346 V349 L443S206-Y247 VanDerWaalsContact CA-O 3.3Å; S206-Y247 WeakPolarHBondContact CA-O 3.32Å; S206-Y247 WeakPolarHBondContact CB-O 3.08Å; M207-Y247 HydrophobicContact CE-CD2 3.89Å; M207-Y247 HydrophobicContact CE-CE2 4.36Å; M207-Y247 PolarHBondContact N-O 2.87Å; M207-Y247 PolarHBondContact O-N 2.88Å; I209-Y247 HydrophobicContact CG2-CE2 4.08Å; K245-Y247 HydrophobicContact CB-CE2 4.15Å; K245-Y247 HydrophobicContact CG-CD1 4.29Å; K245-Y247 HydrophobicContact CG-CD2 4.11Å; K245-Y247 HydrophobicContact CG-CE1 3.78Å; K245-Y247 HydrophobicContact CG-CE2 3.58Å; K245-Y247 HydrophobicContact CG-CG 4.44Å; K245-Y247 VanDerWaalsContact CG-CZ 3.41Å; Y247-G249 PolarHBondContact O-N 3.39Å; Y247-Y250 WeakPolarHBondContact O-CB 3.03Å; Y247-Y250 PolarHBondContact O-N 3.48Å; Y247-A345 WeakPolarHBondContact OH-CB 3.43Å; Y247-I346 HydrophobicContact CD1-CB 3.9Å; Y247-I346 HydrophobicContact CD1-CG2 3.71Å; Y247-I346 HydrophobicContact CE1-CB 3.68Å; Y247-I346 HydrophobicContact CE1-CG2 4.01Å; Y247-I346 VanDerWaalsContact CE1-O 3.26Å; Y247-I346 WeakPolarHBondContact CE1-O 3.46Å; Y247-I346 HydrophobicContact CG-CG2 4.35Å; Y247-V349 HydrophobicContact CE1-CB 4.2Å; Y247-V349 HydrophobicContact CE1-CG2 4.11Å; Y247-L443 HydrophobicContact CE2-CD2 3.71Å
248L95.7Very high95.4Very high71 Ų7132.1 Ų32.137%0.37215%0.147SC..EExtended strand (participates in β ladder)trans-64.9133.8175.7-173.963.6000110.5A125 R128 L129 Y250A125-L248 HydrophobicContact CB-CD1 3.66Å; R128-L248 HydrophobicContact CB-CD1 4.17Å; R128-L248 HydrophobicContact CB-CD2 4.12Å; L129-L248 HydrophobicContact CD2-CD1 4.02Å; L129-L248 HydrophobicContact CD2-CD2 4.29Å; L129-L248 HydrophobicContact CD2-CG 4.04Å; L129-L248 HydrophobicContact CG-CD1 4.21Å; L248-Y250 VanDerWaalsContact C-N 3.29Å
249G94.9Very high95.9Very high8 Ų831.8 Ų31.88%0.08215%0.146CC..THydrogen-bonded Turntrans84.8-3.3-174.600000114.6A205 Y247A205-G249 VanDerWaalsContact O-CA 3.27Å; A205-G249 WeakPolarHBondContact O-CA 3.19Å; A205-G249 PolarHBondContact O-N 2.95Å; Y247-G249 PolarHBondContact O-N 3.39Å
250Y97.1Very high96.1Very high2 Ų226 Ų261%0.00813%0.125CC..  trans-102.214.9174.7-69-98.7000112.5Y247 L248 F255 R258 L332 I346 N347 Y434Y247-Y250 WeakPolarHBondContact O-CB 3.03Å; Y247-Y250 PolarHBondContact O-N 3.48Å; L248-Y250 VanDerWaalsContact C-N 3.29Å; Y250-F255 AromaticContact CD1-CD2 3.79Å; Y250-F255 HydrophobicContact CD1-CD2 3.79Å; Y250-F255 AromaticContact CD1-CE2 3.72Å; Y250-F255 HydrophobicContact CD1-CE2 3.72Å; Y250-F255 HydrophobicContact CE1-CD2 4.2Å; Y250-F255 AromaticContact CE1-CE2 3.75Å; Y250-F255 HydrophobicContact CE1-CE2 3.75Å; Y250-F255 HydrophobicContact CG-CD2 4.42Å; Y250-R258 VanDerWaalsContact CZ-NH1 3.28Å; Y250-R258 PolarHBondContact OH-NH1 3.27Å; Y250-L332 PolarHBondContact OH-O 3.08Å; Y250-I346 HydrophobicContact CD1-CD1 4.24Å; Y250-I346 HydrophobicContact CD1-CG2 3.59Å; Y250-I346 HydrophobicContact CD2-CG2 4.3Å; Y250-I346 HydrophobicContact CE1-CG2 3.16Å; Y250-I346 HydrophobicContact CE2-CG2 3.96Å; Y250-I346 HydrophobicContact CG-CG2 4.14Å; Y250-N347 VanDerWaalsContact CE2-ND2 3.3Å; Y250-N347 WeakPolarHBondContact CE2-ND2 3.1Å; Y250-N347 PolarHBondContact OH-ND2 3.41Å; Y250-N347 PolarHBondContact OH-OD1 2.83Å; Y250-Y434 WeakPolarHBondContact CB-OH 3.37Å; Y250-Y434 PolarHBondContact O-OH 2.77Å
251G97.1Very high96Very high0 Ų028.7 Ų28.70%014%0.137CC..SBendtrans-74.3155.9163.500000110.2G203 G204 A205 S206 N253 S254 F255G203-G251 CarbonylContact O-C 3.36Å; G203-G251 WeakPolarHBondContact O-CA 3.35Å; G204-G251 CarbonylContact O-C 3.57Å; G204-G251 VanDerWaalsContact O-C 3.31Å; A205-G251 VanDerWaalsContact C-CA 3.46Å; A205-G251 VanDerWaalsContact C-N 3.34Å; A205-G251 PolarHBondContact O-N 3.46Å; S206-G251 VanDerWaalsContact CA-N 3.31Å; S206-G251 VanDerWaalsContact N-CA 3.34Å; S206-G251 WeakPolarHBondContact O-CA 3.29Å; G251-N253 VanDerWaalsContact C-N 3.33Å; G251-N253 PolarHBondContact O-N 2.91Å; G251-S254 PolarHBondContact O-N 3.46Å; G251-S254 VanDerWaalsContact O-N 3.16Å; G251-F255 WeakPolarHBondContact O-CB 3.08Å; G251-F255 PolarHBondContact O-N 3.43Å
252M97.4Very high95.8Very high2 Ų227.5 Ų27.51%0.0113%0.131CC..Hα-helixtrans-53.1-45.4-169.3-176.260.176.600114M202 G203 R256 E366 F430 K431 Y434M202-M252 HydrophobicContact SD-CE 3.72Å; G203-M252 PolarHBondContact O-N 2.93Å; M252-R256 WeakPolarHBondContact O-CB 3.23Å; M252-R256 PolarHBondContact O-N 3.22Å; M252-E366 HydrophobicContact CB-CB 4.24Å; M252-E366 HydrophobicContact CB-CG 3.62Å; M252-E366 HydrophobicContact CE-CB 3.94Å; M252-E366 HydrophobicContact CE-CG 4.41Å; M252-E366 HydrophobicContact CG-CG 4.1Å; M252-F430 HydrophobicContact SD-CD1 4.12Å; M252-F430 HydrophobicContact SD-CE1 3.85Å; M252-K431 HydrophobicContact CE-CB 3.68Å; M252-K431 HydrophobicContact CE-CD 4.48Å; M252-K431 HydrophobicContact CE-CG 3.9Å; M252-K431 HydrophobicContact CG-CD 4.35Å; M252-K431 HydrophobicContact CG-CG 4Å; M252-K431 HydrophobicContact SD-CB 3.93Å; M252-K431 HydrophobicContact SD-CG 3.63Å; M252-Y434 HydrophobicContact CE-CD1 4.01Å; M252-Y434 HydrophobicContact SD-CD1 3.74Å; M252-Y434 HydrophobicContact SD-CE1 4.49Å
253N95.1Very high95.6Very high61 Ų6127.7 Ų27.733%0.32613%0.132SC..Hα-helixtrans-76-38.4-177-57.7-41.9000111.9S43 G204 G251 R256 K257S43-N253 PolarHBondContact OG-ND2 3.39Å; G204-N253 WeakPolarHBondContact O-CA 3.45Å; G204-N253 WeakPolarHBondContact O-CB 3.33Å; G204-N253 PolarHBondContact O-N 3.36Å; G251-N253 VanDerWaalsContact C-N 3.33Å; G251-N253 PolarHBondContact O-N 2.91Å; N253-R256 PolarHBondContact O-N 3.13Å; N253-K257 WeakPolarHBondContact O-CG 3.37Å; N253-K257 PolarHBondContact O-N 2.81Å; N253-K257 VanDerWaalsContact O-N 3.11Å
254S95Very high95.3Very high25 Ų2528.8 Ų28.818%0.17514%0.137CC..Hα-helixtrans-66-40.2174.5-72.90000111.9G204 A205 G251 K257 R258G204-S254 PolarHBondContact O-N 3.49Å; G204-S254 VanDerWaalsContact O-N 3.09Å; A205-S254 WeakPolarHBondContact CA-OG 3.43Å; G251-S254 PolarHBondContact O-N 3.46Å; G251-S254 VanDerWaalsContact O-N 3.16Å; S254-K257 PolarHBondContact O-N 3.15Å; S254-R258 PolarHBondContact O-N 2.83Å; S254-R258 VanDerWaalsContact O-N 3.11Å
255F96.6Very high94.7Very high0 Ų033.5 Ų33.50%016%0.159CC..Hα-helixtrans-68.4-38.4176.8-158.2-92.4000111.1Y250 G251 K257 R258 Y259 V329 L332 L333 F430 Y434Y250-F255 AromaticContact CD1-CD2 3.79Å; Y250-F255 HydrophobicContact CD1-CD2 3.79Å; Y250-F255 AromaticContact CD1-CE2 3.72Å; Y250-F255 HydrophobicContact CD1-CE2 3.72Å; Y250-F255 HydrophobicContact CE1-CD2 4.2Å; Y250-F255 AromaticContact CE1-CE2 3.75Å; Y250-F255 HydrophobicContact CE1-CE2 3.75Å; Y250-F255 HydrophobicContact CG-CD2 4.42Å; G251-F255 WeakPolarHBondContact O-CB 3.08Å; G251-F255 PolarHBondContact O-N 3.43Å; F255-K257 PolarHBondContact O-N 2.91Å; F255-R258 PolarHBondContact O-N 3.16Å; F255-Y259 WeakPolarHBondContact O-CB 3.33Å; F255-Y259 PolarHBondContact O-N 2.98Å; F255-V329 HydrophobicContact CE1-CG1 4.05Å; F255-V329 HydrophobicContact CZ-CG1 4.49Å; F255-L332 HydrophobicContact CE1-CB 4.22Å; F255-L332 HydrophobicContact CE1-CD1 4.48Å; F255-L332 HydrophobicContact CE2-CB 3.99Å; F255-L332 HydrophobicContact CZ-CB 3.49Å; F255-L332 VanDerWaalsContact CZ-CB 3.49Å; F255-L333 HydrophobicContact CE2-CD2 4.19Å; F255-L333 HydrophobicContact CZ-CD2 3.99Å; F255-F430 HydrophobicContact CD1-CE2 4.44Å; F255-F430 AromaticContact CD1-CZ 3.82Å; F255-F430 HydrophobicContact CD1-CZ 3.82Å; F255-Y434 HydrophobicContact CB-CD1 4.22Å; F255-Y434 HydrophobicContact CB-CE1 3.7Å; F255-Y434 HydrophobicContact CB-CE2 4.34Å; F255-Y434 AromaticContact CD1-CD1 3.91Å; F255-Y434 HydrophobicContact CD1-CD1 3.91Å; F255-Y434 AromaticContact CD1-CD2 3.28Å; F255-Y434 HydrophobicContact CD1-CD2 3.28Å; F255-Y434 AromaticContact CD1-CE1 3.95Å; F255-Y434 HydrophobicContact CD1-CE1 3.95Å; F255-Y434 AromaticContact CD1-CE2 3.34Å; F255-Y434 HydrophobicContact CD1-CE2 3.34Å; F255-Y434 AromaticContact CD1-CG 3.58Å; F255-Y434 HydrophobicContact CD1-CG 3.58Å; F255-Y434 AromaticContact CD1-CZ 3.68Å; F255-Y434 HydrophobicContact CD2-CD2 4.37Å; F255-Y434 HydrophobicContact CD2-CE1 4.38Å; F255-Y434 AromaticContact CD2-CE2 3.58Å; F255-Y434 HydrophobicContact CD2-CE2 3.58Å; F255-Y434 AromaticContact CD2-CZ 3.59Å; F255-Y434 AromaticContact CE1-CD2 3.19Å; F255-Y434 HydrophobicContact CE1-CD2 3.19Å; F255-Y434 AromaticContact CE1-CE2 3.35Å; F255-Y434 HydrophobicContact CE1-CE2 3.35Å; F255-Y434 AromaticContact CE1-CG 3.9Å; F255-Y434 HydrophobicContact CE1-CG 3.9Å; F255-Y434 HydrophobicContact CE2-CD2 4.27Å; F255-Y434 AromaticContact CE2-CE2 3.55Å; F255-Y434 HydrophobicContact CE2-CE2 3.55Å; F255-Y434 HydrophobicContact CG-CD1 4.18Å; F255-Y434 AromaticContact CG-CD2 3.91Å; F255-Y434 HydrophobicContact CG-CD2 3.91Å; F255-Y434 AromaticContact CG-CE1 3.75Å; F255-Y434 HydrophobicContact CG-CE1 3.75Å; F255-Y434 AromaticContact CG-CE2 3.47Å; F255-Y434 HydrophobicContact CG-CE2 3.47Å; F255-Y434 VanDerWaalsContact CG-CE2 3.47Å; F255-Y434 HydrophobicContact CG-CG 4.25Å; F255-Y434 AromaticContact CG-CZ 3.38Å; F255-Y434 AromaticContact CZ-CD2 3.7Å; F255-Y434 HydrophobicContact CZ-CD2 3.7Å; F255-Y434 AromaticContact CZ-CE2 3.42Å; F255-Y434 HydrophobicContact CZ-CE2 3.42Å; F255-Y434 VanDerWaalsContact CZ-CE2 3.42Å
256R97Very high94.1Very high10 Ų1035.1 Ų35.14%0.03817%0.168CC..Hα-helixtrans-56.5-46.5171.3177.861.5-172.4-159.413.3112.6M252 N253 R258 Y259 E260 D282 L427 F430M252-R256 WeakPolarHBondContact O-CB 3.23Å; M252-R256 PolarHBondContact O-N 3.22Å; N253-R256 PolarHBondContact O-N 3.13Å; R256-R258 PolarHBondContact O-N 2.81Å; R256-Y259 WeakPolarHBondContact O-CB 3.17Å; R256-Y259 PolarHBondContact O-N 2.95Å; R256-E260 IonicContact CZ-OE1 2.88Å; R256-E260 IonicContact NE-OE1 3.86Å; R256-E260 PolarHBondContact NE-OE1 3.39Å; R256-E260 IonicContact NH2-OE1 3.75Å; R256-E260 PolarHBondContact NH2-OE1 3.33Å; R256-E260 WeakPolarHBondContact O-CG 3.4Å; R256-E260 PolarHBondContact O-N 2.85Å; R256-D282 IonicContact CZ-OD2 3.16Å; R256-D282 IonicContact NH1-OD2 2.75Å; R256-D282 PolarHBondContact NH1-OD2 2.84Å; R256-D282 IonicContact NH2-OD2 2.7Å; R256-D282 PolarHBondContact NH2-OD2 3.01Å; R256-L427 HydrophobicContact CG-CD1 4.29Å; R256-F430 HydrophobicContact CB-CD1 4.15Å; R256-F430 HydrophobicContact CB-CE1 3.49Å; R256-F430 VanDerWaalsContact CB-CE1 3.49Å; R256-F430 HydrophobicContact CB-CZ 3.81Å; R256-F430 HydrophobicContact CG-CD1 4.41Å; R256-F430 HydrophobicContact CG-CE1 4.2Å
257K94.2Very high93.3Very high138 Ų13837.7 Ų37.760%0.618%0.176SC*.Hα-helixtrans-62.2-43.2177.4-71.6-179.3-179.7-171.50112.1N253 S254 F255 Y259 E260 E261N253-K257 WeakPolarHBondContact O-CG 3.37Å; N253-K257 PolarHBondContact O-N 2.81Å; N253-K257 VanDerWaalsContact O-N 3.11Å; S254-K257 PolarHBondContact O-N 3.15Å; F255-K257 PolarHBondContact O-N 2.91Å; K257-Y259 VanDerWaalsContact C-N 3.29Å; K257-Y259 PolarHBondContact O-N 2.92Å; K257-E260 PolarHBondContact O-N 3.36Å; K257-E261 WeakPolarHBondContact O-CG 3.38Å; K257-E261 PolarHBondContact O-N 3.27Å
258R94.2Very high91.8Very high74 Ų7439.5 Ų39.528%0.27920%0.195SC..Hα-helixtrans-61.7-39.5175.7-173-174.4-62.4168.52.2111.8Y250 S254 F255 R256 E261 Y262 L332Y250-R258 VanDerWaalsContact CZ-NH1 3.28Å; Y250-R258 PolarHBondContact OH-NH1 3.27Å; S254-R258 PolarHBondContact O-N 2.83Å; S254-R258 VanDerWaalsContact O-N 3.11Å; F255-R258 PolarHBondContact O-N 3.16Å; R256-R258 PolarHBondContact O-N 2.81Å; R258-E261 PolarHBondContact O-N 2.93Å; R258-Y262 WeakPolarHBondContact O-CB 3.21Å; R258-Y262 PolarHBondContact O-N 3.3Å; R258-L332 HydrophobicContact CG-CD2 4.39Å
259Y96.5Very high90Very high0 Ų041.4 Ų41.40%021%0.21CC..Hα-helixtrans-63.6-44175.5173.1-93.7000112.5F255 R256 K257 E261 Y262 L263 D282 C284 N328 V329 L332 F430F255-Y259 WeakPolarHBondContact O-CB 3.33Å; F255-Y259 PolarHBondContact O-N 2.98Å; R256-Y259 WeakPolarHBondContact O-CB 3.17Å; R256-Y259 PolarHBondContact O-N 2.95Å; K257-Y259 VanDerWaalsContact C-N 3.29Å; K257-Y259 PolarHBondContact O-N 2.92Å; Y259-E261 PolarHBondContact O-N 3.23Å; Y259-Y262 WeakPolarHBondContact O-CB 3.18Å; Y259-Y262 PolarHBondContact O-N 2.98Å; Y259-L263 HydrophobicContact CD1-CD1 4.17Å; Y259-L263 HydrophobicContact CD1-CG 4.37Å; Y259-L263 HydrophobicContact CE1-CD1 3.37Å; Y259-L263 HydrophobicContact CE1-CG 3.85Å; Y259-L263 HydrophobicContact CE2-CD2 4.35Å; Y259-L263 HydrophobicContact CE2-CG 4.35Å; Y259-L263 PolarHBondContact O-N 3.37Å; Y259-D282 WeakPolarHBondContact CE1-OD1 3.23Å; Y259-D282 PolarHBondContact OH-OD1 2.9Å; Y259-D282 VanDerWaalsContact OH-OD1 3.13Å; Y259-C284 HydrophobicContact CE1-CB 4.08Å; Y259-C284 PolarHBondContact OH-SG 3.37Å; Y259-N328 HydrophobicContact CE2-CB 3.66Å; Y259-V329 HydrophobicContact CD2-CG2 4.12Å; Y259-V329 HydrophobicContact CE2-CG2 4.15Å; Y259-L332 HydrophobicContact CD2-CD1 4.17Å; Y259-F430 AromaticContact CD1-CD2 3.92Å; Y259-F430 HydrophobicContact CD1-CD2 3.92Å; Y259-F430 AromaticContact CD1-CE2 3.78Å; Y259-F430 HydrophobicContact CD1-CE2 3.78Å; Y259-F430 HydrophobicContact CD2-CD2 4.44Å; Y259-F430 AromaticContact CD2-CE2 3.96Å; Y259-F430 HydrophobicContact CD2-CE2 3.96Å; Y259-F430 HydrophobicContact CE1-CD2 4.24Å; Y259-F430 HydrophobicContact CE1-CE2 4.49Å; Y259-F430 HydrophobicContact CG-CD2 4.04Å; Y259-F430 AromaticContact CG-CE2 3.48Å; Y259-F430 HydrophobicContact CG-CE2 3.48Å; Y259-F430 VanDerWaalsContact CG-CE2 3.48Å; Y259-F430 HydrophobicContact CG-CZ 4.46Å
260E94.7Very high88Confident14 Ų1447.3 Ų47.37%0.06524%0.24CC..Hα-helixtrans-61.5-43.1175.5-73.9174.9173.500112R256 K257 Y262 L263 F264 S293 L295 Y316R256-E260 IonicContact CZ-OE1 2.88Å; R256-E260 IonicContact NE-OE1 3.86Å; R256-E260 PolarHBondContact NE-OE1 3.39Å; R256-E260 IonicContact NH2-OE1 3.75Å; R256-E260 PolarHBondContact NH2-OE1 3.33Å; R256-E260 WeakPolarHBondContact O-CG 3.4Å; R256-E260 PolarHBondContact O-N 2.85Å; K257-E260 PolarHBondContact O-N 3.36Å; E260-Y262 VanDerWaalsContact C-N 3.34Å; E260-L263 PolarHBondContact O-N 2.95Å; E260-F264 WeakPolarHBondContact O-CB 3.46Å; E260-F264 PolarHBondContact O-N 2.99Å; E260-S293 PolarHBondContact OE1-OG 3.44Å; E260-S293 WeakPolarHBondContact OE2-CB 3.45Å; E260-S293 PolarHBondContact OE2-OG 2.97Å; E260-S293 VanDerWaalsContact OE2-OG 3.05Å; E260-L295 HydrophobicContact CB-CD2 4.17Å; E260-Y316 HydrophobicContact CB-CE1 4.44Å; E260-Y316 HydrophobicContact CB-CE2 4.22Å; E260-Y316 WeakPolarHBondContact CB-OH 3.46Å; E260-Y316 HydrophobicContact CG-CE1 4.43Å; E260-Y316 HydrophobicContact CG-CE2 4.09Å; E260-Y316 PolarHBondContact O-OH 3.08Å
261E91.1Very high85.8Confident55 Ų5549.5 Ų49.526%0.25726%0.255SS..Hα-helixtrans-61.3-40.7173.2-70.7171.5174.800111.9K257 R258 Y259 F264 Q265 L295K257-E261 WeakPolarHBondContact O-CG 3.38Å; K257-E261 PolarHBondContact O-N 3.27Å; R258-E261 PolarHBondContact O-N 2.93Å; Y259-E261 PolarHBondContact O-N 3.23Å; E261-F264 PolarHBondContact O-N 3.07Å; E261-Q265 WeakPolarHBondContact O-CG 3.26Å; E261-Q265 PolarHBondContact O-N 3.31Å; E261-L295 HydrophobicContact CG-CD2 4.23Å
262Y92.3Very high83.5Confident44 Ų4455.9 Ų55.917%0.17330%0.3CS..Hα-helixtrans-63.4-48.3176.5169.5-103.6000112.3R258 Y259 E260 F264 Q265 M266 N328 L332R258-Y262 WeakPolarHBondContact O-CB 3.21Å; R258-Y262 PolarHBondContact O-N 3.3Å; Y259-Y262 WeakPolarHBondContact O-CB 3.18Å; Y259-Y262 PolarHBondContact O-N 2.98Å; E260-Y262 VanDerWaalsContact C-N 3.34Å; Y262-F264 VanDerWaalsContact C-N 3.28Å; Y262-F264 PolarHBondContact O-N 3Å; Y262-Q265 PolarHBondContact O-N 2.88Å; Y262-M266 HydrophobicContact CD2-CG 4.23Å; Y262-M266 HydrophobicContact CE1-CG 4.09Å; Y262-M266 HydrophobicContact CE2-CG 3.76Å; Y262-M266 HydrophobicContact CE2-SD 4.1Å; Y262-M266 WeakPolarHBondContact O-CG 3.4Å; Y262-M266 PolarHBondContact O-N 3.41Å; Y262-N328 HydrophobicContact CE1-CB 4Å; Y262-L332 HydrophobicContact CD1-CD1 4.38Å; Y262-L332 HydrophobicContact CD2-CD2 3.96Å; Y262-L332 HydrophobicContact CG-CD1 4.26Å; Y262-L332 HydrophobicContact CG-CD2 3.91Å; Y262-L332 HydrophobicContact CG-CG 4.39Å
263L92.9Very high81.1Confident4 Ų459.2 Ų59.22%0.02132%0.323CS..Hα-helixtrans-59.2-42.1175.3-70.5-172000111.5Y259 E260 Q265 M266 Y267 I280 D282 Y316Y259-L263 HydrophobicContact CD1-CD1 4.17Å; Y259-L263 HydrophobicContact CD1-CG 4.37Å; Y259-L263 HydrophobicContact CE1-CD1 3.37Å; Y259-L263 HydrophobicContact CE1-CG 3.85Å; Y259-L263 HydrophobicContact CE2-CD2 4.35Å; Y259-L263 HydrophobicContact CE2-CG 4.35Å; Y259-L263 PolarHBondContact O-N 3.37Å; E260-L263 PolarHBondContact O-N 2.95Å; L263-Q265 PolarHBondContact O-N 2.81Å; L263-M266 PolarHBondContact O-N 3.47Å; L263-Y267 WeakPolarHBondContact O-CD2 3.33Å; L263-Y267 PolarHBondContact O-N 3.33Å; L263-I280 HydrophobicContact CB-CG2 4.07Å; L263-I280 HydrophobicContact CD1-CG2 4.3Å; L263-D282 HydrophobicContact CD1-CB 4.05Å; L263-Y316 HydrophobicContact CB-CE1 4.13Å; L263-Y316 HydrophobicContact CD1-CD1 4.13Å; L263-Y316 HydrophobicContact CD1-CE1 4.08Å
264F89.4Confident78.8Confident23 Ų2366.2 Ų66.210%0.10135%0.351CS..Hα-helixtrans-59.7-43.7177.5178.8-99.5000112.7E260 E261 Y262 G268 K276 I280 L295 P297 I312 V314E260-F264 WeakPolarHBondContact O-CB 3.46Å; E260-F264 PolarHBondContact O-N 2.99Å; E261-F264 PolarHBondContact O-N 3.07Å; Y262-F264 VanDerWaalsContact C-N 3.28Å; Y262-F264 PolarHBondContact O-N 3Å; F264-G268 PolarHBondContact O-N 3.21Å; F264-K276 HydrophobicContact CE2-CB 4.38Å; F264-K276 HydrophobicContact CZ-CB 4.21Å; F264-K276 HydrophobicContact CZ-CD 4.18Å; F264-K276 HydrophobicContact CZ-CG 4.34Å; F264-I280 HydrophobicContact CB-CD1 4.07Å; F264-I280 HydrophobicContact CD2-CD1 3.98Å; F264-L295 HydrophobicContact CB-CD1 3.64Å; F264-L295 HydrophobicContact CD1-CD1 4.22Å; F264-L295 HydrophobicContact CD2-CD1 4.07Å; F264-L295 HydrophobicContact CG-CD1 3.71Å; F264-P297 HydrophobicContact CE1-CG 4.38Å; F264-I312 HydrophobicContact CZ-CD1 4.18Å; F264-V314 HydrophobicContact CD2-CG1 4.41Å; F264-V314 HydrophobicContact CD2-CG2 3.75Å; F264-V314 HydrophobicContact CE2-CG2 3.93Å
265Q85.4Confident76.8Confident100 Ų10073.1 Ų73.147%0.46738%0.381SS..Hα-helixtrans-65.1-45.7176.6-71.3174.14.100112E261 Y262 L263 Y267 G268 T269E261-Q265 WeakPolarHBondContact O-CG 3.26Å; E261-Q265 PolarHBondContact O-N 3.31Å; Y262-Q265 PolarHBondContact O-N 2.88Å; L263-Q265 PolarHBondContact O-N 2.81Å; Q265-Y267 PolarHBondContact O-N 2.77Å; Q265-G268 PolarHBondContact O-N 3.41Å; Q265-T269 PolarHBondContact O-N 3.38Å; Q265-T269 PolarHBondContact O-OG1 3.07Å
266M84.8Confident74.9Confident84 Ų8479 Ų7941%0.41441%0.406SS..Hα-helixtrans-60.6-40.7179.5-74.3-71.7-68.800113Y262 L263 T269 N270Y262-M266 HydrophobicContact CD2-CG 4.23Å; Y262-M266 HydrophobicContact CE1-CG 4.09Å; Y262-M266 HydrophobicContact CE2-CG 3.76Å; Y262-M266 HydrophobicContact CE2-SD 4.1Å; Y262-M266 WeakPolarHBondContact O-CG 3.4Å; Y262-M266 PolarHBondContact O-N 3.41Å; L263-M266 PolarHBondContact O-N 3.47Å; M266-T269 PolarHBondContact O-OG1 2.93Å; M266-N270 PolarHBondContact O-ND2 3.04Å
267Y80.6Confident73.2Confident73 Ų7379.4 Ų79.429%0.28641%0.412SS..Hα-helixtrans-71.7-36.1175.3-93.9-93.6000112.6L263 Q265 N270 S271 I280 E281L263-Y267 WeakPolarHBondContact O-CD2 3.33Å; L263-Y267 PolarHBondContact O-N 3.33Å; Q265-Y267 PolarHBondContact O-N 2.77Å; Y267-N270 PolarHBondContact O-N 2.87Å; Y267-S271 PolarHBondContact O-N 2.96Å; Y267-S271 PolarHBondContact O-OG 2.9Å; Y267-I280 HydrophobicContact CD1-CG1 4.5Å; Y267-I280 HydrophobicContact CD2-CB 4.39Å; Y267-I280 HydrophobicContact CD2-CD1 4.46Å; Y267-I280 HydrophobicContact CD2-CG1 4.28Å; Y267-I280 HydrophobicContact CD2-CG2 3.6Å; Y267-I280 HydrophobicContact CE2-CG2 3.62Å; Y267-I280 HydrophobicContact CG-CD1 4.36Å; Y267-I280 HydrophobicContact CG-CG1 4.08Å; Y267-I280 HydrophobicContact CG-CG2 4.25Å; Y267-E281 VanDerWaalsContact OH-CB 3.27Å; Y267-E281 WeakPolarHBondContact OH-CB 3.43Å; Y267-E281 PolarHBondContact OH-N 2.94Å
268G66.4Low72.4Confident41 Ų4176.4 Ų76.442%0.42341%0.408SS..Hα-helixtrans-67.1-34.7178.500000113.9F264 Q265 N270F264-G268 PolarHBondContact O-N 3.21Å; Q265-G268 PolarHBondContact O-N 3.41Å; G268-N270 VanDerWaalsContact C-N 3.31Å; G268-N270 PolarHBondContact O-N 3.29Å
269T57.2Low72.2Confident112 Ų11281.8 Ų81.869%0.68743%0.428SS*.Hα-helixtrans-69.7-27176.7450000113.4Q265 M266Q265-T269 PolarHBondContact O-N 3.38Å; Q265-T269 PolarHBondContact O-OG1 3.07Å; M266-T269 PolarHBondContact O-OG1 2.93Å
270N53.6Low72Confident131 Ų13181.9 Ų81.970%0.70143%0.429SS*.Hα-helixtrans-89.2-20.5-178.5-69.2-16000113.3M266 Y267 G268M266-N270 PolarHBondContact O-ND2 3.04Å; Y267-N270 PolarHBondContact O-N 2.87Å; G268-N270 VanDerWaalsContact C-N 3.31Å; G268-N270 PolarHBondContact O-N 3.29Å
271S49.6Very low72.1Confident48 Ų4886.6 Ų86.634%0.33645%0.451SS..  trans-95.8104.7-175.8-57.90000110.6Y267 S273Y267-S271 PolarHBondContact O-N 2.96Å; Y267-S271 PolarHBondContact O-OG 2.9Å; S271-S273 PolarHBondContact O-N 3.38Å; S271-S273 VanDerWaalsContact O-N 3.13Å
272S50Low72.4Confident134 Ų13484 Ų8494%0.93744%0.439SS*.  trans-66.1-7.1174.634.30000113.9
273S47.1Very low72.6Confident72 Ų7282 Ų8250%0.50343%0.431SS..SBendtrans-90.6117.6171.548.80000111S271 Q275S271-S273 PolarHBondContact O-N 3.38Å; S271-S273 VanDerWaalsContact O-N 3.13Å; S273-Q275 CarbonylContact O-C 3.53Å; S273-Q275 PolarHBondContact O-N 3.36Å
274K47.4Very low72.9Confident209 Ų20981.8 Ų81.891%0.90943%0.43SS*.SBendtrans-57.82.7170.7-76.4-177.8176.2179.70115K276K274-K276 PolarHBondContact O-N 3.39Å
275Q52Low73.3Confident170 Ų17080.8 Ų80.879%0.79443%0.426SS*.SBendtrans-71.678.6159.7-79.8-175.8-5.800107.5S273 A277S273-Q275 CarbonylContact O-C 3.53Å; S273-Q275 PolarHBondContact O-N 3.36Å; Q275-A277 PolarHBondContact O-N 2.85Å
276K56Low73.9Confident122 Ų12276 Ų7653%0.5340%0.404SS..  trans-39115.8171.8-76.3175.4171.8-179.60108F264 K274 S278 I312F264-K276 HydrophobicContact CE2-CB 4.38Å; F264-K276 HydrophobicContact CZ-CB 4.21Å; F264-K276 HydrophobicContact CZ-CD 4.18Å; F264-K276 HydrophobicContact CZ-CG 4.34Å; K274-K276 PolarHBondContact O-N 3.39Å; K276-S278 PolarHBondContact O-N 2.83Å; K276-I312 HydrophobicContact CD-CD1 3.76Å
277A61.6Low74.5Confident20 Ų2077 Ų7717%0.16541%0.407CS..  trans-53.5103.3-16900000110.4Q275 R279 I280Q275-A277 PolarHBondContact O-N 2.85Å; A277-R279 PolarHBondContact O-N 3.22Å; A277-I280 HydrophobicContact CB-CG1 4.28Å
278S77.8Confident75.3Confident75 Ų7575.7 Ų75.752%0.52442%0.416SS..SBendtrans-73.1-5.3173.3-49.10000111.6K276 Q315K276-S278 PolarHBondContact O-N 2.83Å; S278-Q315 VanDerWaalsContact O-CB 3.29Å; S278-Q315 WeakPolarHBondContact O-CB 3.35Å; S278-Q315 PolarHBondContact O-N 2.87Å
279R89.5Confident76.8Confident186 Ų18674.7 Ų74.770%0.70240%0.4SS*.EExtended strand (participates in β ladder)trans-131.7124.8178.1-67.7-176.2179.8134.81.9110.2A277 Q315A277-R279 PolarHBondContact O-N 3.22Å; R279-Q315 CarbonylContact C-O 3.56Å; R279-Q315 VanDerWaalsContact CA-O 3.24Å; R279-Q315 WeakPolarHBondContact CA-O 3.42Å; R279-Q315 HydrophobicContact CG-CB 4.29Å
280I93.7Very high78.6Confident3 Ų373.1 Ų73.12%0.01539%0.387CS..EExtended strand (participates in β ladder)trans-134.4134.2-174.8-69-174.2000108.8L263 F264 Y267 A277 V314 Q315 Y316 T317L263-I280 HydrophobicContact CB-CG2 4.07Å; L263-I280 HydrophobicContact CD1-CG2 4.3Å; F264-I280 HydrophobicContact CB-CD1 4.07Å; F264-I280 HydrophobicContact CD2-CD1 3.98Å; Y267-I280 HydrophobicContact CD1-CG1 4.5Å; Y267-I280 HydrophobicContact CD2-CB 4.39Å; Y267-I280 HydrophobicContact CD2-CD1 4.46Å; Y267-I280 HydrophobicContact CD2-CG1 4.28Å; Y267-I280 HydrophobicContact CD2-CG2 3.6Å; Y267-I280 HydrophobicContact CE2-CG2 3.62Å; Y267-I280 HydrophobicContact CG-CD1 4.36Å; Y267-I280 HydrophobicContact CG-CG1 4.08Å; Y267-I280 HydrophobicContact CG-CG2 4.25Å; A277-I280 HydrophobicContact CB-CG1 4.28Å; I280-V314 HydrophobicContact CB-CG1 4.47Å; I280-V314 HydrophobicContact CD1-CG1 3.75Å; I280-V314 HydrophobicContact CG1-CG1 4.04Å; I280-Q315 PolarHBondContact N-O 2.89Å; I280-Y316 HydrophobicContact CB-CD1 3.93Å; I280-Y316 HydrophobicContact CB-CE1 4.05Å; I280-Y316 HydrophobicContact CD1-CE1 4.21Å; I280-Y316 HydrophobicContact CG2-CD1 3.77Å; I280-Y316 HydrophobicContact CG2-CE1 3.81Å; I280-Y316 CarbonylContact O-C 3.57Å; I280-Y316 VanDerWaalsContact O-CA 3.27Å; I280-Y316 WeakPolarHBondContact O-CA 3.41Å; I280-T317 PolarHBondContact O-N 2.75Å
281E95.3Very high80.6Confident112 Ų11267.7 Ų67.752%0.52336%0.359SS..EExtended strand (participates in β ladder)trans-76.6129.3170.2-54.6-177.7156.700110.1Y267 T317 T319Y267-E281 VanDerWaalsContact OH-CB 3.27Å; Y267-E281 WeakPolarHBondContact OH-CB 3.43Å; Y267-E281 PolarHBondContact OH-N 2.94Å; E281-T317 CarbonylContact C-O 3.59Å; E281-T317 WeakPolarHBondContact CA-O 3.34Å; E281-T319 HydrophobicContact CB-CG2 3.87Å; E281-T319 HydrophobicContact CG-CG2 4.34Å
282D97.2Very high82.7Confident0 Ų069.5 Ų69.50%037%0.368CS..EExtended strand (participates in β ladder)trans-114.2101.4179.8-177.4-14.7000109.5R256 Y259 L263 C284 L285 Y316 T317 G318 T319R256-D282 IonicContact CZ-OD2 3.16Å; R256-D282 IonicContact NH1-OD2 2.75Å; R256-D282 PolarHBondContact NH1-OD2 2.84Å; R256-D282 IonicContact NH2-OD2 2.7Å; R256-D282 PolarHBondContact NH2-OD2 3.01Å; Y259-D282 WeakPolarHBondContact CE1-OD1 3.23Å; Y259-D282 PolarHBondContact OH-OD1 2.9Å; Y259-D282 VanDerWaalsContact OH-OD1 3.13Å; L263-D282 HydrophobicContact CD1-CB 4.05Å; D282-C284 PolarHBondContact O-N 3.26Å; D282-C284 VanDerWaalsContact O-N 3.15Å; D282-C284 WeakPolarHBondContact OD1-CA 3.28Å; D282-C284 VanDerWaalsContact OD1-CB 3.25Å; D282-C284 WeakPolarHBondContact OD1-CB 3.5Å; D282-C284 PolarHBondContact OD1-N 3.31Å; D282-L285 HydrophobicContact CB-CB 4.46Å; D282-L285 HydrophobicContact CB-CD1 3.93Å; D282-L285 HydrophobicContact CB-CG 4.06Å; D282-L285 PolarHBondContact O-N 3.04Å; D282-L285 VanDerWaalsContact O-N 3.16Å; D282-L285 WeakPolarHBondContact OD2-CD1 3.44Å; D282-L285 VanDerWaalsContact OD2-CG 3.31Å; D282-L285 WeakPolarHBondContact OD2-CG 3.34Å; D282-Y316 HydrophobicContact CB-CD1 4.17Å; D282-T317 PolarHBondContact N-O 3.14Å; D282-G318 WeakPolarHBondContact O-CA 3.4Å; D282-T319 PolarHBondContact O-N 3.39Å
283P97.9Very high84.7Confident3 Ų364.1 Ų64.12%0.01933%0.33CS..THydrogen-bonded Turntrans-65.9-15.7179.127.8-35.1000113.7L285 T319 N321 Q324 C325 N328P283-L285 VanDerWaalsContact C-N 3.3Å; P283-T319 VanDerWaalsContact CA-OG1 3.31Å; P283-T319 WeakPolarHBondContact CA-OG1 3.25Å; P283-N321 HydrophobicContact CB-CB 4.05Å; P283-N321 WeakPolarHBondContact CB-O 3.25Å; P283-N321 PolarHBondContact O-N 2.91Å; P283-Q324 HydrophobicContact CB-CB 3.86Å; P283-Q324 HydrophobicContact CB-CG 4.13Å; P283-Q324 HydrophobicContact CG-CB 4.14Å; P283-Q324 HydrophobicContact CG-CG 3.93Å; P283-C325 HydrophobicContact CB-CB 4.33Å; P283-N328 WeakPolarHBondContact CG-ND2 3.27Å
284C98.3Very high86.7Confident0 Ų066 Ų660%033%0.331CS..THydrogen-bonded Turntrans-88.710.8176.8-65.30000113.7Y259 D282 C325 C429 F430Y259-C284 HydrophobicContact CE1-CB 4.08Å; Y259-C284 PolarHBondContact OH-SG 3.37Å; D282-C284 PolarHBondContact O-N 3.26Å; D282-C284 VanDerWaalsContact O-N 3.15Å; D282-C284 WeakPolarHBondContact OD1-CA 3.28Å; D282-C284 VanDerWaalsContact OD1-CB 3.25Å; D282-C284 WeakPolarHBondContact OD1-CB 3.5Å; D282-C284 PolarHBondContact OD1-N 3.31Å; C284-C325 WeakPolarHBondContact CA-SG 3.15Å; C284-C325 HydrophobicContact CB-CB 3.94Å; C284-C325 WeakPolarHBondContact CB-SG 3.39Å; C284-C325 WeakPolarHBondContact SG-CA 3.03Å; C284-C325 WeakPolarHBondContact SG-CB 3.38Å; C284-C325 CovalentContact SG-SG 2.01Å; C284-C325 PolarHBondContact SG-SG 3.08Å; C284-C429 CarbonylContact O-C 3.58Å; C284-C429 WeakPolarHBondContact O-CB 3.45Å; C284-F430 HydrophobicContact CB-CB 3.76Å; C284-F430 HydrophobicContact CB-CD2 3.94Å; C284-F430 HydrophobicContact CB-CG 4.38Å; C284-F430 PolarHBondContact O-N 2.95Å
285L98.3Very high88.5Confident1 Ų156.4 Ų56.41%0.00529%0.29CS..SBendtrans-115.4151.4169.3-64.5178.2000110.3D282 P283 F289 V291 T319 G320 L427D282-L285 HydrophobicContact CB-CB 4.46Å; D282-L285 HydrophobicContact CB-CD1 3.93Å; D282-L285 HydrophobicContact CB-CG 4.06Å; D282-L285 PolarHBondContact O-N 3.04Å; D282-L285 VanDerWaalsContact O-N 3.16Å; D282-L285 WeakPolarHBondContact OD2-CD1 3.44Å; D282-L285 VanDerWaalsContact OD2-CG 3.31Å; D282-L285 WeakPolarHBondContact OD2-CG 3.34Å; P283-L285 VanDerWaalsContact C-N 3.3Å; L285-F289 HydrophobicContact CB-CD1 4.36Å; L285-F289 HydrophobicContact CD1-CD1 4.28Å; L285-F289 HydrophobicContact CD2-CD1 4.04Å; L285-F289 HydrophobicContact CD2-CE1 4.3Å; L285-F289 HydrophobicContact CG-CD1 4.45Å; L285-V291 HydrophobicContact CD1-CB 4.26Å; L285-V291 HydrophobicContact CD1-CG2 3.95Å; L285-T319 PolarHBondContact O-N 3.48Å; L285-G320 WeakPolarHBondContact O-CA 3.37Å; L285-G320 PolarHBondContact O-N 2.82Å; L285-L427 HydrophobicContact CD2-CD2 3.44Å; L285-L427 VanDerWaalsContact CD2-CD2 3.44Å
286L98.3Very high89.5Confident0 Ų051.3 Ų51.30%027%0.27CS..  trans-58.6144.4174.4-70.4155.8000110.7G288 F289 G318 T394 T397 W399 Y402 I428L286-G288 PolarHBondContact O-N 3.49Å; L286-F289 HydrophobicContact CB-CB 4.4Å; L286-F289 VanDerWaalsContact O-CB 3.28Å; L286-F289 WeakPolarHBondContact O-CB 3.45Å; L286-F289 PolarHBondContact O-N 2.87Å; L286-G318 WeakPolarHBondContact O-CA 3.29Å; L286-T394 WeakPolarHBondContact CD2-O 3.37Å; L286-T397 WeakPolarHBondContact CD2-O 3.3Å; L286-W399 HydrophobicContact CB-CB 4.35Å; L286-W399 HydrophobicContact CB-CE3 4.3Å; L286-W399 HydrophobicContact CD1-CE3 3.61Å; L286-W399 HydrophobicContact CD1-CZ3 3.91Å; L286-Y402 HydrophobicContact CD1-CD1 3.49Å; L286-Y402 VanDerWaalsContact CD1-CD1 3.49Å; L286-Y402 HydrophobicContact CD1-CD2 4.48Å; L286-Y402 HydrophobicContact CD1-CE1 3.93Å; L286-Y402 HydrophobicContact CD1-CG 3.8Å; L286-I428 HydrophobicContact CD1-CG2 4.33Å
287E97.9Very high89.8Confident106 Ų10647 Ų4750%0.49526%0.255SS..THydrogen-bonded Turntrans-53.4129.2-178.3-171.7-169.816900111.7F289 G318 W399E287-F289 PolarHBondContact O-N 2.78Å; E287-G318 WeakPolarHBondContact CA-O 3.27Å; E287-W399 WeakPolarHBondContact O-CB 3.2Å; E287-W399 PolarHBondContact O-N 3.16Å
288G96.9Very high89.7Confident45 Ų4555.1 Ų55.146%0.46428%0.281SS..THydrogen-bonded Turntrans79.1-7.117900000115L286 N290 G318L286-G288 PolarHBondContact O-N 3.49Å; G288-N290 PolarHBondContact O-ND2 3.49Å; G288-G318 PolarHBondContact N-O 3.36Å
289F97.5Very high88.1Confident20 Ų2054.3 Ų54.39%0.08827%0.274CS..  trans-72.8131.6173.6-173.9-128.8000110.8L285 L286 E287 V291 G318 W399 K426L285-F289 HydrophobicContact CB-CD1 4.36Å; L285-F289 HydrophobicContact CD1-CD1 4.28Å; L285-F289 HydrophobicContact CD2-CD1 4.04Å; L285-F289 HydrophobicContact CD2-CE1 4.3Å; L285-F289 HydrophobicContact CG-CD1 4.45Å; L286-F289 HydrophobicContact CB-CB 4.4Å; L286-F289 VanDerWaalsContact O-CB 3.28Å; L286-F289 WeakPolarHBondContact O-CB 3.45Å; L286-F289 PolarHBondContact O-N 2.87Å; E287-F289 PolarHBondContact O-N 2.78Å; F289-V291 HydrophobicContact CD1-CG2 3.83Å; F289-V291 HydrophobicContact CE1-CG2 3.12Å; F289-V291 HydrophobicContact CZ-CG2 3.51Å; F289-G318 PolarHBondContact O-N 3.35Å; F289-W399 HydrophobicContact CB-CB 3.83Å; F289-W399 HydrophobicContact CB-CD2 3.91Å; F289-W399 HydrophobicContact CB-CE3 4.16Å; F289-W399 HydrophobicContact CB-CG 3.74Å; F289-W399 AromaticContact CD2-CD1 3.89Å; F289-W399 AromaticContact CD2-CD2 3.44Å; F289-W399 HydrophobicContact CD2-CD2 3.44Å; F289-W399 VanDerWaalsContact CD2-CD2 3.44Å; F289-W399 AromaticContact CD2-CE2 3.37Å; F289-W399 AromaticContact CD2-CE3 3.94Å; F289-W399 HydrophobicContact CD2-CE3 3.94Å; F289-W399 AromaticContact CD2-CG 3.78Å; F289-W399 HydrophobicContact CD2-CG 3.78Å; F289-W399 HydrophobicContact CD2-CH2 4.26Å; F289-W399 AromaticContact CD2-CZ2 3.81Å; F289-W399 HydrophobicContact CD2-CZ2 3.81Å; F289-W399 HydrophobicContact CD2-CZ3 4.33Å; F289-W399 AromaticContact CD2-NE1 3.64Å; F289-W399 HydrophobicContact CE2-CD2 4.23Å; F289-W399 AromaticContact CE2-CE2 3.78Å; F289-W399 HydrophobicContact CE2-CH2 4.14Å; F289-W399 AromaticContact CE2-CZ2 3.74Å; F289-W399 HydrophobicContact CE2-CZ2 3.74Å; F289-W399 AromaticContact CG-CD2 3.83Å; F289-W399 HydrophobicContact CG-CD2 3.83Å; F289-W399 AromaticContact CG-CE3 3.99Å; F289-W399 HydrophobicContact CG-CE3 3.99Å; F289-W399 HydrophobicContact CG-CG 4.11Å; F289-W399 HydrophobicContact CG-CZ3 4.5Å; F289-K426 HydrophobicContact CE1-CB 3.86Å; F289-K426 HydrophobicContact CE1-CD 4.28Å; F289-K426 HydrophobicContact CE1-CG 4.03Å; F289-K426 HydrophobicContact CZ-CB 3.81Å; F289-K426 HydrophobicContact CZ-CD 3.82Å; F289-K426 HydrophobicContact CZ-CG 4.02Å
290N95.9Very high85.9Confident78 Ų7850.2 Ų50.242%0.41727%0.27SS..EExtended strand (participates in β ladder)trans-114.6132.3179.5-68.2-64.5000111.3G288 Y316 T317G288-N290 PolarHBondContact O-ND2 3.49Å; N290-Y316 CarbonylContact C-O 3.6Å; N290-Y316 VanDerWaalsContact CA-O 3.3Å; N290-Y316 WeakPolarHBondContact CA-O 3.4Å; N290-T317 WeakPolarHBondContact OD1-CB 3.5Å; N290-T317 WeakPolarHBondContact OD1-CG2 3.47Å; N290-T317 PolarHBondContact OD1-OG1 2.96Å
291V94.8Very high83.2Confident18 Ų1858.6 Ų58.611%0.10931%0.313CS..EExtended strand (participates in β ladder)trans-128.1130.3174.4178.20000109.4L285 F289 Q315 Y316L285-V291 HydrophobicContact CD1-CB 4.26Å; L285-V291 HydrophobicContact CD1-CG2 3.95Å; F289-V291 HydrophobicContact CD1-CG2 3.83Å; F289-V291 HydrophobicContact CE1-CG2 3.12Å; F289-V291 HydrophobicContact CZ-CG2 3.51Å; V291-Q315 CarbonylContact O-C 3.53Å; V291-Y316 PolarHBondContact N-O 3.18Å; V291-Y316 PolarHBondContact O-N 2.95Å
292T94.2Very high80.3Confident86 Ų8657 Ų5753%0.52833%0.327SS..EExtended strand (participates in β ladder)trans-100127.1169.1-55.10000109.5S313 V314T292-S313 VanDerWaalsContact CG2-OG 3.22Å; T292-S313 WeakPolarHBondContact CG2-OG 3.32Å; T292-V314 CarbonylContact C-O 3.53Å; T292-V314 WeakPolarHBondContact CA-O 3.49Å
293S92Very high77.3Confident21 Ų2164 Ų6415%0.14736%0.359CS..EExtended strand (participates in β ladder)trans-122.9142.3175.9-66.40000110.7E260 V314E260-S293 PolarHBondContact OE1-OG 3.44Å; E260-S293 WeakPolarHBondContact OE2-CB 3.45Å; E260-S293 PolarHBondContact OE2-OG 2.97Å; E260-S293 VanDerWaalsContact OE2-OG 3.05Å; S293-V314 PolarHBondContact N-O 3.18Å; S293-V314 PolarHBondContact O-N 3.33Å
294E88.8Confident74.1Confident110 Ų11073.1 Ų73.151%0.51440%0.398SS..EExtended strand (participates in β ladder)trans-90.2115.9171.3-67.6-61.4140.200109.4S313E294-S313 WeakPolarHBondContact OE1-CA 3.43Å; E294-S313 WeakPolarHBondContact OE1-CB 3.45Å; E294-S313 PolarHBondContact OE1-OG 3.46Å
295L84.2Confident71.3Confident8 Ų880 Ų804%0.04243%0.434CS..EExtended strand (participates in β ladder)trans-99.5145175.4-58-174.7000110.5E260 E261 F264 P297 K311 I312 V314 Y316E260-L295 HydrophobicContact CB-CD2 4.17Å; E261-L295 HydrophobicContact CG-CD2 4.23Å; F264-L295 HydrophobicContact CB-CD1 3.64Å; F264-L295 HydrophobicContact CD1-CD1 4.22Å; F264-L295 HydrophobicContact CD2-CD1 4.07Å; F264-L295 HydrophobicContact CG-CD1 3.71Å; L295-P297 WeakPolarHBondContact O-CD 3.36Å; L295-K311 CarbonylContact O-C 3.54Å; L295-K311 WeakPolarHBondContact O-CA 3.45Å; L295-I312 PolarHBondContact N-O 2.77Å; L295-I312 PolarHBondContact O-N 3.22Å; L295-V314 HydrophobicContact CD1-CB 4.49Å; L295-V314 HydrophobicContact CD1-CG2 3.84Å; L295-V314 HydrophobicContact CG-CG2 4.16Å; L295-Y316 WeakPolarHBondContact CD1-OH 3.26Å
296T74.7Confident68.4Low63 Ų6387 Ų8739%0.38747%0.472SS..  trans-11393.8164.2-54.10000106.8R298T296-R298 PolarHBondContact O-N 2.92Å; T296-R298 VanDerWaalsContact O-N 3.07Å
297P62Low65.7Low32 Ų3292.2 Ų92.221%0.20851%0.509CS..PPolyproline II helixtrans-57.3119.3-177.6-19.229.1000109.3F264 L295 S309 I312F264-P297 HydrophobicContact CE1-CG 4.38Å; L295-P297 WeakPolarHBondContact O-CD 3.36Å; P297-S309 PolarHBondContact O-OG 2.86Å; P297-I312 HydrophobicContact CG-CD1 3.6Å; P297-I312 HydrophobicContact CG-CG1 4.1Å
298R58.2Low63.4Low191 Ų19191.6 Ų91.672%0.72152%0.521SS*.PPolyproline II helixtrans-84.1137.5169.7-59-176.5-159.6-128.10.7107.8T296 V300T296-R298 PolarHBondContact O-N 2.92Å; T296-R298 VanDerWaalsContact O-N 3.07Å; R298-V300 PolarHBondContact O-N 3.47Å
299P45.2Very low61.4Low57 Ų5791.9 Ų91.937%0.3752%0.516SS..PPolyproline II helixtrans-58.6139.8175.1-15.126.2000109.9E303 L305P299-E303 HydrophobicContact CB-CB 3.88Å; P299-L305 HydrophobicContact CG-CD1 4.26Å
300V41.9Very low59.9Low101 Ų10197.8 Ų97.861%0.61255%0.549SS*.PPolyproline II helixtrans-60.2139.5167.1-179.40000107.2R298 G302 E303R298-V300 PolarHBondContact O-N 3.47Å; V300-G302 PolarHBondContact O-N 3.34Å; V300-E303 PolarHBondContact O-N 2.81Å
301I37.3Very low59.1Low179 Ų179101.2 Ų101.292%0.91856%0.56SS**THydrogen-bonded Turntrans-42.9110.2-178.4-60.2170.6000109.7
302G34.5Very low58.5Low79 Ų79101.9 Ų101.981%0.81456%0.563SS**THydrogen-bonded Turntrans125-16.7178.600000116.3V300V300-G302 PolarHBondContact O-N 3.34Å
303E34.2Very low58.2Low146 Ų146100.5 Ų100.568%0.68256%0.556SS**SBendtrans-88.3129.2173-76.9-173.5165.900111.6P299 V300P299-E303 HydrophobicContact CB-CB 3.88Å; V300-E303 PolarHBondContact O-N 2.81Å
304K30.9Very low58.2Low194 Ų19499.5 Ų99.584%0.84355%0.549SS*.  trans-63.3135.3177.2-79.1-179.3176.6177.90109.9D306K304-D306 VanDerWaalsContact C-N 3.33Å; K304-D306 PolarHBondContact O-N 3.47Å
305L38.8Very low58.5Low144 Ų14497 Ų9775%0.75454%0.538SS*.  trans-67.982.6-179.7-162.591000110.4P299 S307P299-L305 HydrophobicContact CG-CD1 4.26Å; L305-S307 PolarHBondContact O-N 3.34Å
306D38.7Very low59.1Low149 Ų14996.7 Ų96.780%0.79754%0.536SS*.  trans-71.9108.3161.4-78.3-20.6000107.3K304K304-D306 VanDerWaalsContact C-N 3.33Å; K304-D306 PolarHBondContact O-N 3.47Å
307S40.7Very low60.1Low110 Ų11095.9 Ų95.977%0.76953%0.531SS*.SBendtrans23.4111.2162.1-53.10000116.9L305 S309L305-S307 PolarHBondContact O-N 3.34Å; S307-S309 PolarHBondContact O-N 2.78Å
308A49.3Very low61.8Low92 Ų9294.5 Ų94.576%0.7652%0.522SS*.  trans25.185.3164.700000114.1D310A308-D310 PolarHBondContact O-N 2.66Å; A308-D310 VanDerWaalsContact O-N 3.11Å
309S54.9Low63.7Low52 Ų5287.6 Ų87.636%0.36450%0.502SS..PPolyproline II helixtrans-51123.3176.846.30000110.2P297 S307 K311P297-S309 PolarHBondContact O-OG 2.86Å; S307-S309 PolarHBondContact O-N 2.78Å; S309-K311 PolarHBondContact O-N 3.22Å
310D66.7Low66.2Low144 Ų14485.1 Ų85.177%0.7749%0.487SS*.PPolyproline II helixtrans-52137.8176.5-74.8-41.5000109.6A308 I312A308-D310 PolarHBondContact O-N 2.66Å; A308-D310 VanDerWaalsContact O-N 3.11Å; D310-I312 WeakPolarHBondContact O-CG1 3.31Å; D310-I312 PolarHBondContact O-N 2.66Å
311K78.2Confident68.9Low150 Ų15083.7 Ų83.765%0.65248%0.476SS*.PPolyproline II helixtrans-61.7133173.2-67.9-178.2-179.1176.40108.8L295 S309L295-K311 CarbonylContact O-C 3.54Å; L295-K311 WeakPolarHBondContact O-CA 3.45Å; S309-K311 PolarHBondContact O-N 3.22Å
312I83Confident71.7Confident32 Ų3275.9 Ų75.916%0.16444%0.436CS..EExtended strand (participates in β ladder)trans-110.4123.3179.9-53-174.5000108.1F264 K276 L295 P297 D310 V314F264-I312 HydrophobicContact CZ-CD1 4.18Å; K276-I312 HydrophobicContact CD-CD1 3.76Å; L295-I312 PolarHBondContact N-O 2.77Å; L295-I312 PolarHBondContact O-N 3.22Å; P297-I312 HydrophobicContact CG-CD1 3.6Å; P297-I312 HydrophobicContact CG-CG1 4.1Å; D310-I312 WeakPolarHBondContact O-CG1 3.31Å; D310-I312 PolarHBondContact O-N 2.66Å; I312-V314 HydrophobicContact CG2-CG2 4.07Å
313S88.7Confident74.7Confident56 Ų5675.5 Ų75.539%0.39242%0.42SS..EExtended strand (participates in β ladder)trans-80.2122172-149.50000109.9T292 E294T292-S313 VanDerWaalsContact CG2-OG 3.22Å; T292-S313 WeakPolarHBondContact CG2-OG 3.32Å; E294-S313 WeakPolarHBondContact OE1-CA 3.43Å; E294-S313 WeakPolarHBondContact OE1-CB 3.45Å; E294-S313 PolarHBondContact OE1-OG 3.46Å
314V91.6Very high77.7Confident0 Ų072.3 Ų72.30%041%0.405CS..EExtended strand (participates in β ladder)trans-123.4127.8-179.5-175.60000109F264 I280 T292 S293 L295 I312 Y316F264-V314 HydrophobicContact CD2-CG1 4.41Å; F264-V314 HydrophobicContact CD2-CG2 3.75Å; F264-V314 HydrophobicContact CE2-CG2 3.93Å; I280-V314 HydrophobicContact CB-CG1 4.47Å; I280-V314 HydrophobicContact CD1-CG1 3.75Å; I280-V314 HydrophobicContact CG1-CG1 4.04Å; T292-V314 CarbonylContact C-O 3.53Å; T292-V314 WeakPolarHBondContact CA-O 3.49Å; S293-V314 PolarHBondContact N-O 3.18Å; S293-V314 PolarHBondContact O-N 3.33Å; L295-V314 HydrophobicContact CD1-CB 4.49Å; L295-V314 HydrophobicContact CD1-CG2 3.84Å; L295-V314 HydrophobicContact CG-CG2 4.16Å; I312-V314 HydrophobicContact CG2-CG2 4.07Å; V314-Y316 HydrophobicContact CB-CE2 3.87Å; V314-Y316 HydrophobicContact CG1-CD2 4.29Å; V314-Y316 HydrophobicContact CG1-CE1 4.22Å; V314-Y316 HydrophobicContact CG1-CE2 3.69Å
315Q94.7Very high80.9Confident59 Ų5963 Ų6328%0.27637%0.365SS..EExtended strand (participates in β ladder)trans-94.6120.4174.8-174.8176.534.400109.6S278 R279 I280 V291S278-Q315 VanDerWaalsContact O-CB 3.29Å; S278-Q315 WeakPolarHBondContact O-CB 3.35Å; S278-Q315 PolarHBondContact O-N 2.87Å; R279-Q315 CarbonylContact C-O 3.56Å; R279-Q315 VanDerWaalsContact CA-O 3.24Å; R279-Q315 WeakPolarHBondContact CA-O 3.42Å; R279-Q315 HydrophobicContact CG-CB 4.29Å; I280-Q315 PolarHBondContact N-O 2.89Å; V291-Q315 CarbonylContact O-C 3.53Å
316Y96.2Very high83.6Confident0 Ų057 Ų570%033%0.333CS..EExtended strand (participates in β ladder)trans-100.1129.5174.6-64.1-86.8000109.8E260 L263 I280 D282 N290 V291 L295 V314E260-Y316 HydrophobicContact CB-CE1 4.44Å; E260-Y316 HydrophobicContact CB-CE2 4.22Å; E260-Y316 WeakPolarHBondContact CB-OH 3.46Å; E260-Y316 HydrophobicContact CG-CE1 4.43Å; E260-Y316 HydrophobicContact CG-CE2 4.09Å; E260-Y316 PolarHBondContact O-OH 3.08Å; L263-Y316 HydrophobicContact CB-CE1 4.13Å; L263-Y316 HydrophobicContact CD1-CD1 4.13Å; L263-Y316 HydrophobicContact CD1-CE1 4.08Å; I280-Y316 HydrophobicContact CB-CD1 3.93Å; I280-Y316 HydrophobicContact CB-CE1 4.05Å; I280-Y316 HydrophobicContact CD1-CE1 4.21Å; I280-Y316 HydrophobicContact CG2-CD1 3.77Å; I280-Y316 HydrophobicContact CG2-CE1 3.81Å; I280-Y316 CarbonylContact O-C 3.57Å; I280-Y316 VanDerWaalsContact O-CA 3.27Å; I280-Y316 WeakPolarHBondContact O-CA 3.41Å; D282-Y316 HydrophobicContact CB-CD1 4.17Å; N290-Y316 CarbonylContact C-O 3.6Å; N290-Y316 VanDerWaalsContact CA-O 3.3Å; N290-Y316 WeakPolarHBondContact CA-O 3.4Å; V291-Y316 PolarHBondContact N-O 3.18Å; V291-Y316 PolarHBondContact O-N 2.95Å; L295-Y316 WeakPolarHBondContact CD1-OH 3.26Å; V314-Y316 HydrophobicContact CB-CE2 3.87Å; V314-Y316 HydrophobicContact CG1-CD2 4.29Å; V314-Y316 HydrophobicContact CG1-CE1 4.22Å; V314-Y316 HydrophobicContact CG1-CE2 3.69Å
317T97.1Very high86.4Confident46 Ų4655.4 Ų55.428%0.28232%0.321SS..EExtended strand (participates in β ladder)trans-114.8123.6177.8-60.50000109.9I280 E281 D282 N290I280-T317 PolarHBondContact O-N 2.75Å; E281-T317 CarbonylContact C-O 3.59Å; E281-T317 WeakPolarHBondContact CA-O 3.34Å; D282-T317 PolarHBondContact N-O 3.14Å; N290-T317 WeakPolarHBondContact OD1-CB 3.5Å; N290-T317 WeakPolarHBondContact OD1-CG2 3.47Å; N290-T317 PolarHBondContact OD1-OG1 2.96Å
318G98Very high89.1Confident3 Ų351.3 Ų51.33%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-72.9140.9-176.400000114.1D282 L286 E287 G288 F289D282-G318 WeakPolarHBondContact O-CA 3.4Å; L286-G318 WeakPolarHBondContact O-CA 3.29Å; E287-G318 WeakPolarHBondContact CA-O 3.27Å; G288-G318 PolarHBondContact N-O 3.36Å; F289-G318 PolarHBondContact O-N 3.35Å
319T97.8Very high91.4Very high46 Ų4647 Ų4728%0.28225%0.254SS..  trans-117-7.9175.366.30000113.5E281 D282 P283 L285 N321E281-T319 HydrophobicContact CB-CG2 3.87Å; E281-T319 HydrophobicContact CG-CG2 4.34Å; D282-T319 PolarHBondContact O-N 3.39Å; P283-T319 VanDerWaalsContact CA-OG1 3.31Å; P283-T319 WeakPolarHBondContact CA-OG1 3.25Å; L285-T319 PolarHBondContact O-N 3.48Å; T319-N321 PolarHBondContact O-N 3.32Å
320G97.6Very high93.3Very high6 Ų647.2 Ų47.26%0.06225%0.25CC..  trans70.56.3177.800000115.8L285 M322 C395L285-G320 WeakPolarHBondContact O-CA 3.37Å; L285-G320 PolarHBondContact O-N 2.82Å; G320-M322 PolarHBondContact O-N 3.27Å; G320-M322 VanDerWaalsContact O-N 3.1Å; G320-C395 WeakPolarHBondContact CA-O 3.26Å; G320-C395 CarbonylContact O-C 3.6Å
321N97.8Very high94.6Very high71 Ų7143.5 Ų43.538%0.3823%0.233SC..  trans-79.793.8-175-171.5-33.6000112.2P283 T319 S323 Q324 C325P283-N321 HydrophobicContact CB-CB 4.05Å; P283-N321 WeakPolarHBondContact CB-O 3.25Å; P283-N321 PolarHBondContact O-N 2.91Å; T319-N321 PolarHBondContact O-N 3.32Å; N321-S323 PolarHBondContact O-N 3.15Å; N321-S323 PolarHBondContact OD1-N 2.85Å; N321-Q324 HydrophobicContact CB-CB 4.16Å; N321-Q324 PolarHBondContact O-N 2.89Å; N321-Q324 PolarHBondContact OD1-N 3.07Å; N321-C325 WeakPolarHBondContact O-CB 3.48Å; N321-C325 PolarHBondContact O-N 3.48Å
322M96.2Very high95.4Very high15 Ų1537.4 Ų37.47%0.07421%0.208CC..Hα-helixtrans-57.7-43.3-179.5-179.4-174.1168.800113.1G320 Q324 C325 M326 L388 I391 E392G320-M322 PolarHBondContact O-N 3.27Å; G320-M322 VanDerWaalsContact O-N 3.1Å; M322-Q324 PolarHBondContact O-N 3.08Å; M322-C325 WeakPolarHBondContact O-CB 3.27Å; M322-C325 PolarHBondContact O-N 3.09Å; M322-M326 HydrophobicContact CG-CG 4.38Å; M322-M326 WeakPolarHBondContact O-CG 3.36Å; M322-M326 PolarHBondContact O-N 3.36Å; M322-L388 HydrophobicContact CE-CB 4.16Å; M322-L388 HydrophobicContact CE-CD2 3.41Å; M322-L388 VanDerWaalsContact CE-CD2 3.41Å; M322-L388 HydrophobicContact CE-CG 4.36Å; M322-I391 HydrophobicContact CE-CB 3.81Å; M322-I391 HydrophobicContact CE-CD1 4.24Å; M322-I391 HydrophobicContact CE-CG2 3.79Å; M322-I391 HydrophobicContact CG-CG2 3.78Å; M322-I391 HydrophobicContact SD-CB 3.76Å; M322-I391 HydrophobicContact SD-CG2 3.53Å; M322-I391 VanDerWaalsContact SD-CG2 3.53Å; M322-E392 WeakPolarHBondContact CB-OE2 3.45Å; M322-E392 HydrophobicContact SD-CB 3.82Å; M322-E392 PolarHBondContact SD-N 3.24Å; M322-E392 VanDerWaalsContact SD-N 3.41Å; M322-E392 VanDerWaalsContact SD-OE2 3.34Å
323S96.7Very high96Very high70 Ų7035.9 Ų35.949%0.4920%0.2SC..Hα-helixtrans-61.5-46.2-177.8-177.30000111.4N321 C325 M326 Q327N321-S323 PolarHBondContact O-N 3.15Å; N321-S323 PolarHBondContact OD1-N 2.85Å; S323-C325 VanDerWaalsContact C-N 3.34Å; S323-M326 PolarHBondContact O-N 3.05Å; S323-Q327 VanDerWaalsContact O-CG 3.26Å; S323-Q327 WeakPolarHBondContact O-CG 3.3Å; S323-Q327 PolarHBondContact O-N 2.97Å; S323-Q327 PolarHBondContact O-NE2 3.49Å; S323-Q327 PolarHBondContact OG-NE2 2.88Å
324Q97.3Very high96.3Very high79 Ų7935.5 Ų35.537%0.36919%0.194SC..Hα-helixtrans-68.9-34.5176.1-165.6-178.6900111.9P283 N321 M322 Q327 N328P283-Q324 HydrophobicContact CB-CB 3.86Å; P283-Q324 HydrophobicContact CB-CG 4.13Å; P283-Q324 HydrophobicContact CG-CB 4.14Å; P283-Q324 HydrophobicContact CG-CG 3.93Å; N321-Q324 HydrophobicContact CB-CB 4.16Å; N321-Q324 PolarHBondContact O-N 2.89Å; N321-Q324 PolarHBondContact OD1-N 3.07Å; M322-Q324 PolarHBondContact O-N 3.08Å; Q324-Q327 PolarHBondContact O-N 2.91Å; Q324-N328 WeakPolarHBondContact O-CB 3.37Å; Q324-N328 VanDerWaalsContact O-CG 3.25Å; Q324-N328 PolarHBondContact O-N 2.95Å
325C98.3Very high96.2Very high0 Ų038.4 Ų38.40%021%0.209CC..Hα-helixtrans-58.5-51.3173.4174.40000111.8P283 C284 N321 M322 S323 Q327 N328 V329 S433P283-C325 HydrophobicContact CB-CB 4.33Å; C284-C325 WeakPolarHBondContact CA-SG 3.15Å; C284-C325 HydrophobicContact CB-CB 3.94Å; C284-C325 WeakPolarHBondContact CB-SG 3.39Å; C284-C325 WeakPolarHBondContact SG-CA 3.03Å; C284-C325 WeakPolarHBondContact SG-CB 3.38Å; C284-C325 CovalentContact SG-SG 2.01Å; C284-C325 PolarHBondContact SG-SG 3.08Å; N321-C325 WeakPolarHBondContact O-CB 3.48Å; N321-C325 PolarHBondContact O-N 3.48Å; M322-C325 WeakPolarHBondContact O-CB 3.27Å; M322-C325 PolarHBondContact O-N 3.09Å; S323-C325 VanDerWaalsContact C-N 3.34Å; C325-Q327 PolarHBondContact O-N 3.14Å; C325-N328 PolarHBondContact O-N 2.57Å; C325-V329 WeakPolarHBondContact O-CG2 3.27Å; C325-V329 PolarHBondContact O-N 2.68Å; C325-S433 WeakPolarHBondContact SG-CB 3.19Å; C325-S433 PolarHBondContact SG-OG 2.78Å
326M97.1Very high95.5Very high17 Ų1742.4 Ų42.48%0.08423%0.232CC..Hα-helixtrans-60-44.7177.3-67-73.1-71.800111.3M322 S323 N328 V329 E330 S433 V436 S437M322-M326 HydrophobicContact CG-CG 4.38Å; M322-M326 WeakPolarHBondContact O-CG 3.36Å; M322-M326 PolarHBondContact O-N 3.36Å; S323-M326 PolarHBondContact O-N 3.05Å; M326-N328 VanDerWaalsContact C-N 3.26Å; M326-N328 PolarHBondContact O-N 2.96Å; M326-V329 PolarHBondContact O-N 3.05Å; M326-V329 VanDerWaalsContact O-N 3.14Å; M326-E330 VanDerWaalsContact O-CG 3.29Å; M326-E330 WeakPolarHBondContact O-CG 3.46Å; M326-E330 PolarHBondContact O-N 3.14Å; M326-S433 WeakPolarHBondContact SD-CA 3.47Å; M326-S433 WeakPolarHBondContact SD-CB 3.49Å; M326-V436 HydrophobicContact CE-CB 4.48Å; M326-V436 HydrophobicContact CE-CG1 4.17Å; M326-S437 WeakPolarHBondContact CE-OG 3.42Å; M326-S437 PolarHBondContact SD-OG 3.45Å; M326-S437 VanDerWaalsContact SD-OG 3.33Å
327Q96.6Very high94.7Very high116 Ų11648.2 Ų48.254%0.54226%0.259SS..Hα-helixtrans-59.2-34176.3-72.7171.240.700113.3S323 Q324 C325 P331S323-Q327 VanDerWaalsContact O-CG 3.26Å; S323-Q327 WeakPolarHBondContact O-CG 3.3Å; S323-Q327 PolarHBondContact O-N 2.97Å; S323-Q327 PolarHBondContact O-NE2 3.49Å; S323-Q327 PolarHBondContact OG-NE2 2.88Å; Q324-Q327 PolarHBondContact O-N 2.91Å; C325-Q327 PolarHBondContact O-N 3.14Å; Q327-P331 WeakPolarHBondContact O-CD 3.4Å
328N96.8Very high94.2Very high24 Ų2451.6 Ų51.613%0.12829%0.285CS..Hα-helixtrans-82.2-25.6178.2-70.1-10.5000113Y259 Y262 P283 Q324 C325 M326Y259-N328 HydrophobicContact CE2-CB 3.66Å; Y262-N328 HydrophobicContact CE1-CB 4Å; P283-N328 WeakPolarHBondContact CG-ND2 3.27Å; Q324-N328 WeakPolarHBondContact O-CB 3.37Å; Q324-N328 VanDerWaalsContact O-CG 3.25Å; Q324-N328 PolarHBondContact O-N 2.95Å; C325-N328 PolarHBondContact O-N 2.57Å; M326-N328 VanDerWaalsContact C-N 3.26Å; M326-N328 PolarHBondContact O-N 2.96Å
329V97.5Very high93.7Very high0 Ų052.5 Ų52.50%029%0.291CS..Hα-helixtrans-77.3-41.9178159.20000111.6F255 Y259 C325 M326 L332 F430 Y434F255-V329 HydrophobicContact CE1-CG1 4.05Å; F255-V329 HydrophobicContact CZ-CG1 4.49Å; Y259-V329 HydrophobicContact CD2-CG2 4.12Å; Y259-V329 HydrophobicContact CE2-CG2 4.15Å; C325-V329 WeakPolarHBondContact O-CG2 3.27Å; C325-V329 PolarHBondContact O-N 2.68Å; M326-V329 PolarHBondContact O-N 3.05Å; M326-V329 VanDerWaalsContact O-N 3.14Å; V329-L332 WeakPolarHBondContact O-CB 3.39Å; V329-L332 PolarHBondContact O-N 2.79Å; V329-L332 VanDerWaalsContact O-N 3.13Å; V329-F430 HydrophobicContact CG2-CE2 4.29Å; V329-Y434 HydrophobicContact CG1-CD2 4.03Å
330E95.3Very high93.1Very high57 Ų5755.3 Ų55.327%0.26631%0.312SS..G310 helixtrans-57.6-45.4-171.7-77.8171.8-146.700114.9M326 L332 L333 K441M326-E330 VanDerWaalsContact O-CG 3.29Å; M326-E330 WeakPolarHBondContact O-CG 3.46Å; M326-E330 PolarHBondContact O-N 3.14Å; E330-L332 PolarHBondContact O-N 3.41Å; E330-L332 VanDerWaalsContact O-N 3.11Å; E330-L333 VanDerWaalsContact O-CB 3.31Å; E330-L333 WeakPolarHBondContact O-CB 3.41Å; E330-L333 PolarHBondContact O-N 3.22Å; E330-K441 HydrophobicContact CG-CD 3.85Å; E330-K441 IonicContact OE1-NZ 2.58Å; E330-K441 PolarHBondContact OE1-NZ 3.19Å; E330-K441 IonicContact OE2-NZ 3.67Å; E330-K441 PolarHBondContact OE2-NZ 2.82Å
331P93.9Very high92.7Very high66 Ų6656.3 Ų56.343%0.42932%0.317SS..G310 helixtrans-58.1-28.6178.3-26.235.2000113.3Q327 L333 N334Q327-P331 WeakPolarHBondContact O-CD 3.4Å; P331-L333 PolarHBondContact O-N 3.17Å; P331-N334 PolarHBondContact O-N 3.43Å
332L95.6Very high92.1Very high23 Ų2359 Ų5912%0.1233%0.331CS..G310 helixtrans-77.4-9.9-179-55.5178.9000113.2Y250 F255 R258 Y259 Y262 V329 E330Y250-L332 PolarHBondContact OH-O 3.08Å; F255-L332 HydrophobicContact CE1-CB 4.22Å; F255-L332 HydrophobicContact CE1-CD1 4.48Å; F255-L332 HydrophobicContact CE2-CB 3.99Å; F255-L332 HydrophobicContact CZ-CB 3.49Å; F255-L332 VanDerWaalsContact CZ-CB 3.49Å; R258-L332 HydrophobicContact CG-CD2 4.39Å; Y259-L332 HydrophobicContact CD2-CD1 4.17Å; Y262-L332 HydrophobicContact CD1-CD1 4.38Å; Y262-L332 HydrophobicContact CD2-CD2 3.96Å; Y262-L332 HydrophobicContact CG-CD1 4.26Å; Y262-L332 HydrophobicContact CG-CD2 3.91Å; Y262-L332 HydrophobicContact CG-CG 4.39Å; V329-L332 WeakPolarHBondContact O-CB 3.39Å; V329-L332 PolarHBondContact O-N 2.79Å; V329-L332 VanDerWaalsContact O-N 3.13Å; E330-L332 PolarHBondContact O-N 3.41Å; E330-L332 VanDerWaalsContact O-N 3.11Å
333L95.8Very high91.8Very high0 Ų060 Ų600%034%0.339CS..G310 helixtrans-72.1-19.3169.2-60.3179.2000112.5F255 E330 P331 L335 I346 N347 Y434 S437 A438 K441F255-L333 HydrophobicContact CE2-CD2 4.19Å; F255-L333 HydrophobicContact CZ-CD2 3.99Å; E330-L333 VanDerWaalsContact O-CB 3.31Å; E330-L333 WeakPolarHBondContact O-CB 3.41Å; E330-L333 PolarHBondContact O-N 3.22Å; P331-L333 PolarHBondContact O-N 3.17Å; L333-L335 HydrophobicContact CB-CD1 4.18Å; L333-L335 HydrophobicContact CB-CD2 4.44Å; L333-L335 HydrophobicContact CB-CG 3.98Å; L333-L335 HydrophobicContact CD1-CD1 4.38Å; L333-I346 HydrophobicContact CD2-CD1 4.22Å; L333-I346 HydrophobicContact CD2-CG1 4.45Å; L333-N347 PolarHBondContact O-N 3.39Å; L333-N347 VanDerWaalsContact O-N 3.14Å; L333-Y434 HydrophobicContact CD2-CE2 3.9Å; L333-S437 WeakPolarHBondContact CD1-O 3.25Å; L333-A438 HydrophobicContact CD2-CB 4.35Å; L333-K441 HydrophobicContact CD1-CB 4.3Å
334N93.8Very high91.6Very high48 Ų4857.6 Ų57.626%0.25732%0.322SS..  trans53.565.9177.4-176.329.9000112.8P331 N347 N348P331-N334 PolarHBondContact O-N 3.43Å; N334-N347 WeakPolarHBondContact CB-OD1 3.38Å; N334-N347 PolarHBondContact ND2-OD1 3.08Å; N334-N347 WeakPolarHBondContact O-CA 3.24Å; N334-N347 PolarHBondContact O-N 2.98Å; N334-N348 PolarHBondContact O-ND2 3.35Å; N334-N348 VanDerWaalsContact O-ND2 3.13Å; N334-N348 PolarHBondContact O-OD1 2.92Å
335L90.5Very high91.5Very high61 Ų6153.9 Ų53.932%0.31930%0.304SS..  trans-101.616.5-178.1-56.9174.5000113.1L333 N348 K441L333-L335 HydrophobicContact CB-CD1 4.18Å; L333-L335 HydrophobicContact CB-CD2 4.44Å; L333-L335 HydrophobicContact CB-CG 3.98Å; L333-L335 HydrophobicContact CD1-CD1 4.38Å; L335-N348 WeakPolarHBondContact CA-OD1 3.43Å; L335-K441 HydrophobicContact CD1-CB 4.45Å; L335-K441 WeakPolarHBondContact CD1-O 3.42Å
336N80.1Confident91.4Very high142 Ų14253.9 Ų53.976%0.75930%0.304SS*.  trans-94.84-165.3-63.3-7.5000114.5N348N336-N348 PolarHBondContact N-OD1 2.94Å
337Q79Confident91.2Very high123 Ų12356.2 Ų56.258%0.57532%0.317SS*.SBendtrans-121.3155.1-175.9-44.1172.844.300110.7N348Q337-N348 HydrophobicContact CB-CB 3.97Å; Q337-N348 VanDerWaalsContact CB-CG 3.4Å; Q337-N348 WeakPolarHBondContact CB-ND2 3.47Å; Q337-N348 WeakPolarHBondContact CG-ND2 3.46Å; Q337-N348 PolarHBondContact N-OD1 3.12Å; Q337-N348 PolarHBondContact NE2-ND2 3.24Å; Q337-N348 WeakPolarHBondContact O-CB 3.18Å; Q337-N348 PolarHBondContact O-OD1 3.42Å
338S86Confident91Very high116 Ų11651.5 Ų51.581%0.81130%0.296SS*.  trans-75.7150.7173.7530000111.3
339C87.3Confident90.8Very high23 Ų2351.4 Ų51.416%0.15530%0.296CS..  trans-133.2167.3170.177.20000109.3P341 C344 N348C339-P341 PolarHBondContact SG-O 2.71Å; C339-P341 VanDerWaalsContact SG-O 3.39Å; C339-C344 VanDerWaalsContact CA-SG 3.53Å; C339-C344 HydrophobicContact CB-CB 3.92Å; C339-C344 WeakPolarHBondContact CB-SG 3.45Å; C339-C344 PolarHBondContact N-SG 2.83Å; C339-C344 WeakPolarHBondContact SG-CA 3.37Å; C339-C344 WeakPolarHBondContact SG-CB 3.42Å; C339-C344 CovalentContact SG-SG 2.02Å; C339-C344 PolarHBondContact SG-SG 3.48Å; C339-N348 WeakPolarHBondContact CB-O 3.25Å
340S87.2Confident90.7Very high104 Ų10451.8 Ų51.873%0.72730%0.299SS*.SBendtrans-141.4132.4173.6-173.30000109.8
341P88.2Confident90.6Very high27 Ų2749.1 Ų49.118%0.17529%0.287CS..SBendcis-70.6162.2-631.6-36.5000112.3N218 L219 C339 A350 L352N218-P341 HydrophobicContact CB-CG 4.31Å; N218-P341 WeakPolarHBondContact O-CD 3.43Å; N218-P341 WeakPolarHBondContact O-CG 3.48Å; L219-P341 HydrophobicContact CD2-CG 4.4Å; C339-P341 PolarHBondContact SG-O 2.71Å; C339-P341 VanDerWaalsContact SG-O 3.39Å; P341-A350 HydrophobicContact CG-CB 4.25Å; P341-A350 VanDerWaalsContact O-CB 3.23Å; P341-A350 WeakPolarHBondContact O-CB 3.32Å; P341-L352 HydrophobicContact CG-CD2 4.4Å
342L86Confident90.4Very high128 Ų12848.1 Ų48.167%0.6728%0.277SS*.SBendtrans-78.1153.6167.5-68.9177.4000110.3C344L342-C344 WeakPolarHBondContact CD2-SG 3.41Å
343P89.6Confident90.3Very high36 Ų3651.5 Ų51.523%0.23430%0.296CS..PPolyproline II helixcis-80.1166-0.429.8-32.1000114.7Q351 D353P343-Q351 WeakPolarHBondContact CD-O 3.42Å; P343-Q351 VanDerWaalsContact CG-O 3.27Å; P343-Q351 WeakPolarHBondContact CG-O 3.39Å; P343-Q351 PolarHBondContact O-N 3.26Å; P343-D353 WeakPolarHBondContact CG-OD1 3.09Å
344C91.8Very high90.2Very high20 Ų2052 Ų5214%0.13530%0.298CS..EExtended strand (participates in β ladder)trans-105.5122.5179.4-52.50000110.8C339 L342 H444C339-C344 VanDerWaalsContact CA-SG 3.53Å; C339-C344 HydrophobicContact CB-CB 3.92Å; C339-C344 WeakPolarHBondContact CB-SG 3.45Å; C339-C344 PolarHBondContact N-SG 2.83Å; C339-C344 WeakPolarHBondContact SG-CA 3.37Å; C339-C344 WeakPolarHBondContact SG-CB 3.42Å; C339-C344 CovalentContact SG-SG 2.02Å; C339-C344 PolarHBondContact SG-SG 3.48Å; L342-C344 WeakPolarHBondContact CD2-SG 3.41Å; C344-H444 PolarHBondContact O-CD2 3.19Å; C344-H444 PolarHBondContact O-NE2 2.98Å
345A95.1Very high90.2Very high0 Ų053.6 Ų53.60%031%0.307CS..EExtended strand (participates in β ladder)trans-86.4-168.1169.600000111.8Y247 N347 N348 V349 Q351 G442 L443Y247-A345 WeakPolarHBondContact OH-CB 3.43Å; A345-N347 PolarHBondContact O-N 2.85Å; A345-N348 VanDerWaalsContact O-CA 3.31Å; A345-N348 WeakPolarHBondContact O-CA 3.47Å; A345-N348 PolarHBondContact O-N 3.39Å; A345-V349 PolarHBondContact N-O 3.28Å; A345-V349 PolarHBondContact O-N 3.42Å; A345-Q351 HydrophobicContact CB-CB 3.82Å; A345-Q351 HydrophobicContact CB-CG 4.47Å; A345-G442 CarbonylContact C-O 3.24Å; A345-G442 WeakPolarHBondContact CA-O 3.42Å; A345-G442 WeakPolarHBondContact CB-O 3.42Å; A345-L443 HydrophobicContact CB-CD2 4.46Å
346I95.7Very high90.4Very high0 Ų052.8 Ų52.80%030%0.301CS..G310 helixtrans-36.8137.6173.7-65.7179.1000111.9M207 Y247 Y250 L333 N348 V349 A438 G442 L443M207-I346 HydrophobicContact CE-CD1 3.39Å; Y247-I346 HydrophobicContact CD1-CB 3.9Å; Y247-I346 HydrophobicContact CD1-CG2 3.71Å; Y247-I346 HydrophobicContact CE1-CB 3.68Å; Y247-I346 HydrophobicContact CE1-CG2 4.01Å; Y247-I346 VanDerWaalsContact CE1-O 3.26Å; Y247-I346 WeakPolarHBondContact CE1-O 3.46Å; Y247-I346 HydrophobicContact CG-CG2 4.35Å; Y250-I346 HydrophobicContact CD1-CD1 4.24Å; Y250-I346 HydrophobicContact CD1-CG2 3.59Å; Y250-I346 HydrophobicContact CD2-CG2 4.3Å; Y250-I346 HydrophobicContact CE1-CG2 3.16Å; Y250-I346 HydrophobicContact CE2-CG2 3.96Å; Y250-I346 HydrophobicContact CG-CG2 4.14Å; L333-I346 HydrophobicContact CD2-CD1 4.22Å; L333-I346 HydrophobicContact CD2-CG1 4.45Å; I346-N348 PolarHBondContact O-N 3.05Å; I346-V349 WeakPolarHBondContact O-CG2 3.4Å; I346-V349 PolarHBondContact O-N 2.9Å; I346-A438 HydrophobicContact CD1-CB 4.39Å; I346-G442 VanDerWaalsContact CG1-CA 3.41Å; I346-G442 PolarHBondContact N-O 3.37Å; I346-L443 HydrophobicContact CD1-CD2 4.35Å; I346-L443 HydrophobicContact CD1-CG 4.47Å
347N93.4Very high91.1Very high66 Ų6653.8 Ų53.835%0.35331%0.306SS..G310 helixtrans58.523.2-178.2-94.3-13.2000114.1Y250 L333 N334 A345 V349Y250-N347 VanDerWaalsContact CE2-ND2 3.3Å; Y250-N347 WeakPolarHBondContact CE2-ND2 3.1Å; Y250-N347 PolarHBondContact OH-ND2 3.41Å; Y250-N347 PolarHBondContact OH-OD1 2.83Å; L333-N347 PolarHBondContact O-N 3.39Å; L333-N347 VanDerWaalsContact O-N 3.14Å; N334-N347 WeakPolarHBondContact CB-OD1 3.38Å; N334-N347 PolarHBondContact ND2-OD1 3.08Å; N334-N347 WeakPolarHBondContact O-CA 3.24Å; N334-N347 PolarHBondContact O-N 2.98Å; A345-N347 PolarHBondContact O-N 2.85Å; N347-V349 HydrophobicContact CB-CG2 4.27Å; N347-V349 PolarHBondContact O-N 2.83Å
348N92Very high91.8Very high18 Ų1851.5 Ų51.510%0.09630%0.304CS..G310 helixtrans58.139.5179.6-38.5-71.2000111.4N334 L335 N336 Q337 C339 A345 I346N334-N348 PolarHBondContact O-ND2 3.35Å; N334-N348 VanDerWaalsContact O-ND2 3.13Å; N334-N348 PolarHBondContact O-OD1 2.92Å; L335-N348 WeakPolarHBondContact CA-OD1 3.43Å; N336-N348 PolarHBondContact N-OD1 2.94Å; Q337-N348 HydrophobicContact CB-CB 3.97Å; Q337-N348 VanDerWaalsContact CB-CG 3.4Å; Q337-N348 WeakPolarHBondContact CB-ND2 3.47Å; Q337-N348 WeakPolarHBondContact CG-ND2 3.46Å; Q337-N348 PolarHBondContact N-OD1 3.12Å; Q337-N348 PolarHBondContact NE2-ND2 3.24Å; Q337-N348 WeakPolarHBondContact O-CB 3.18Å; Q337-N348 PolarHBondContact O-OD1 3.42Å; C339-N348 WeakPolarHBondContact CB-O 3.25Å; A345-N348 VanDerWaalsContact O-CA 3.31Å; A345-N348 WeakPolarHBondContact O-CA 3.47Å; A345-N348 PolarHBondContact O-N 3.39Å; I346-N348 PolarHBondContact O-N 3.05Å
349V94Very high92.3Very high22 Ų2246.8 Ų46.813%0.13327%0.27CS..EExtended strand (participates in β ladder)trans-90.1127.3176.7176.10000108.1L223 K245 Y247 A345 I346 N347 Q351L223-V349 HydrophobicContact CD1-CG1 4.13Å; L223-V349 HydrophobicContact CD2-CG1 3.86Å; K245-V349 HydrophobicContact CD-CG1 3.98Å; K245-V349 HydrophobicContact CG-CG1 4.17Å; Y247-V349 HydrophobicContact CE1-CB 4.2Å; Y247-V349 HydrophobicContact CE1-CG2 4.11Å; A345-V349 PolarHBondContact N-O 3.28Å; A345-V349 PolarHBondContact O-N 3.42Å; I346-V349 WeakPolarHBondContact O-CG2 3.4Å; I346-V349 PolarHBondContact O-N 2.9Å; N347-V349 HydrophobicContact CB-CG2 4.27Å; N347-V349 PolarHBondContact O-N 2.83Å; V349-Q351 PolarHBondContact O-N 3.39Å
350A94.1Very high92.8Very high7 Ų750.9 Ų50.96%0.05829%0.285CS..EExtended strand (participates in β ladder)trans-54.3133.1174.300000110.8L223 Y243 P341L223-A350 HydrophobicContact CD1-CB 4.27Å; L223-A350 WeakPolarHBondContact CD1-O 3.48Å; Y243-A350 VanDerWaalsContact CE2-O 3.27Å; Y243-A350 WeakPolarHBondContact CE2-O 3.33Å; Y243-A350 PolarHBondContact OH-O 3.32Å; P341-A350 HydrophobicContact CG-CB 4.25Å; P341-A350 VanDerWaalsContact O-CB 3.23Å; P341-A350 WeakPolarHBondContact O-CB 3.32Å
351Q94Very high93.4Very high2 Ų246 Ų461%0.00925%0.25CS..  trans-140.7122.2177.3-173.8-177.5-80.400108Y211 Y243 P343 A345 V349 L443Y211-Q351 VanDerWaalsContact OH-CG 3.28Å; Y211-Q351 WeakPolarHBondContact OH-CG 3.29Å; Y243-Q351 HydrophobicContact CE1-CG 3.9Å; Y243-Q351 HydrophobicContact CE2-CB 4.42Å; Y243-Q351 HydrophobicContact CE2-CG 4.39Å; P343-Q351 WeakPolarHBondContact CD-O 3.42Å; P343-Q351 VanDerWaalsContact CG-O 3.27Å; P343-Q351 WeakPolarHBondContact CG-O 3.39Å; P343-Q351 PolarHBondContact O-N 3.26Å; A345-Q351 HydrophobicContact CB-CB 3.82Å; A345-Q351 HydrophobicContact CB-CG 4.47Å; V349-Q351 PolarHBondContact O-N 3.39Å; Q351-L443 PolarHBondContact NE2-O 3.15Å
352L90.2Very high93.9Very high45 Ų4546 Ų4624%0.23625%0.247CC..PPolyproline II helixtrans-74.1137.5173.6-62.4-178.2000109.1Y211 L219 P341 P354Y211-L352 PolarHBondContact OH-O 3.13Å; L219-L352 HydrophobicContact CD1-CD1 3.48Å; L219-L352 VanDerWaalsContact CD1-CD1 3.48Å; L219-L352 HydrophobicContact CD1-CG 3.84Å; L219-L352 HydrophobicContact CD2-CD1 4.4Å; L219-L352 HydrophobicContact CD2-CD2 4.36Å; L219-L352 HydrophobicContact CD2-CG 3.95Å; L219-L352 HydrophobicContact CG-CD1 3.8Å; L219-L352 HydrophobicContact CG-CD2 4.45Å; L219-L352 HydrophobicContact CG-CG 3.92Å; P341-L352 HydrophobicContact CG-CD2 4.4Å; L352-P354 WeakPolarHBondContact O-CD 3.45Å
353D91.6Very high94.5Very high94 Ų9440 Ų4050%0.50322%0.215SC..PPolyproline II helixtrans-60.9124.4175.1-69.6-29.1000109.8P343 F356P343-D353 WeakPolarHBondContact CG-OD1 3.09Å; D353-F356 HydrophobicContact CB-CE2 3.87Å
354P93.8Very high94.8Very high9 Ų938.4 Ų38.46%0.05821%0.205CC..PPolyproline II helixtrans-65162.6167.630-34.9000109.6Y211 L352 F356 M359 F361 F445Y211-P354 HydrophobicContact CD2-CB 3.86Å; Y211-P354 HydrophobicContact CE2-CB 3.87Å; Y211-P354 HydrophobicContact CG-CB 4.39Å; L352-P354 WeakPolarHBondContact O-CD 3.45Å; P354-F356 VanDerWaalsContact C-N 3.28Å; P354-F356 HydrophobicContact CG-CD1 3.81Å; P354-F356 HydrophobicContact CG-CE1 3.39Å; P354-F356 HydrophobicContact CG-CE2 4.3Å; P354-F356 HydrophobicContact CG-CG 4.42Å; P354-F356 HydrophobicContact CG-CZ 3.69Å; P354-F356 WeakPolarHBondContact O-CD2 3.43Å; P354-F356 PolarHBondContact O-N 2.81Å; P354-M359 HydrophobicContact CB-SD 4.23Å; P354-F361 HydrophobicContact CB-CE2 3.84Å; P354-F361 HydrophobicContact CB-CZ 3.92Å; P354-F361 HydrophobicContact CG-CE2 3.86Å; P354-F361 HydrophobicContact CG-CZ 3.97Å; P354-F445 HydrophobicContact CG-CZ 4.48Å
355D94.4Very high95Very high83 Ų8338.9 Ų38.944%0.44421%0.208SC..  trans-69.789.5168.3-179.3-7.4000109.1D357 S358 M359D355-D357 PolarHBondContact O-N 2.75Å; D355-D357 PolarHBondContact OD1-N 3.03Å; D355-D357 VanDerWaalsContact OD1-N 3.15Å; D355-S358 PolarHBondContact O-N 3.03Å; D355-S358 PolarHBondContact OD1-N 3.44Å; D355-S358 WeakPolarHBondContact OD2-CB 3.32Å; D355-S358 PolarHBondContact OD2-OG 3.36Å; D355-M359 WeakPolarHBondContact O-CB 3.27Å; D355-M359 PolarHBondContact O-N 3.11Å
356F94.8Very high95.1Very high43 Ų4339.9 Ų39.919%0.18921%0.213CC..THydrogen-bonded Turntrans-63.5-18.3-177.1-67-66.4000113.5D353 P354 F445 P446 Y449D353-F356 HydrophobicContact CB-CE2 3.87Å; P354-F356 VanDerWaalsContact C-N 3.28Å; P354-F356 HydrophobicContact CG-CD1 3.81Å; P354-F356 HydrophobicContact CG-CE1 3.39Å; P354-F356 HydrophobicContact CG-CE2 4.3Å; P354-F356 HydrophobicContact CG-CG 4.42Å; P354-F356 HydrophobicContact CG-CZ 3.69Å; P354-F356 WeakPolarHBondContact O-CD2 3.43Å; P354-F356 PolarHBondContact O-N 2.81Å; F356-F445 AromaticContact CD1-CD1 3.94Å; F356-F445 HydrophobicContact CD1-CD1 3.94Å; F356-F445 HydrophobicContact CD1-CE1 4.16Å; F356-F445 HydrophobicContact CE1-CB 4.39Å; F356-F445 AromaticContact CE1-CD1 3.53Å; F356-F445 HydrophobicContact CE1-CD1 3.53Å; F356-F445 HydrophobicContact CE1-CD2 4.37Å; F356-F445 AromaticContact CE1-CE1 3.79Å; F356-F445 HydrophobicContact CE1-CE1 3.79Å; F356-F445 AromaticContact CE1-CG 3.87Å; F356-F445 HydrophobicContact CE1-CG 3.87Å; F356-F445 HydrophobicContact CE1-CZ 4.3Å; F356-P446 HydrophobicContact CD1-CG 4.43Å; F356-P446 HydrophobicContact CD2-CG 3.94Å; F356-P446 HydrophobicContact CE2-CG 4.05Å; F356-P446 HydrophobicContact CG-CG 4.13Å; F356-P446 HydrophobicContact CZ-CG 4.35Å; F356-Y449 HydrophobicContact CB-CD2 3.98Å; F356-Y449 HydrophobicContact CB-CE2 4.34Å; F356-Y449 AromaticContact CD1-CD2 3.9Å; F356-Y449 HydrophobicContact CD1-CD2 3.9Å; F356-Y449 HydrophobicContact CD1-CE2 4.15Å; F356-Y449 HydrophobicContact CD1-CG 4.43Å; F356-Y449 HydrophobicContact CG-CD2 4.4Å; F356-Y449 WeakPolarHBondContact O-CD2 3.39Å; F356-Y449 VanDerWaalsContact O-CE2 3.28Å; F356-Y449 WeakPolarHBondContact O-CE2 2.88Å
357D94Very high95.2Very high163 Ų16339.9 Ų39.987%0.87221%0.213SC*.THydrogen-bonded Turntrans-83.2-39.8-179.5-67.1-32000111.3D355D355-D357 PolarHBondContact O-N 2.75Å; D355-D357 PolarHBondContact OD1-N 3.03Å; D355-D357 VanDerWaalsContact OD1-N 3.15Å
358S94Very high95.4Very high75 Ų7539.4 Ų39.452%0.52421%0.207SC..THydrogen-bonded Turntrans-100.7-30.3-175.377.40000114.1D355D355-S358 PolarHBondContact O-N 3.03Å; D355-S358 PolarHBondContact OD1-N 3.44Å; D355-S358 WeakPolarHBondContact OD2-CB 3.32Å; D355-S358 PolarHBondContact OD2-OG 3.36Å
359M97.5Very high95.6Very high18 Ų1843.6 Ų43.69%0.08922%0.222CC..  trans-92.2121.6-171.6-167.4178-68.700112.1Y211 P354 D355 F361 Y449Y211-M359 VanDerWaalsContact CB-SD 3.54Å; Y211-M359 HydrophobicContact CD2-SD 4.44Å; Y211-M359 HydrophobicContact CG-SD 4.29Å; P354-M359 HydrophobicContact CB-SD 4.23Å; D355-M359 WeakPolarHBondContact O-CB 3.27Å; D355-M359 PolarHBondContact O-N 3.11Å; M359-F361 HydrophobicContact CG-CD2 4.37Å; M359-F361 HydrophobicContact CG-CE2 4.02Å; M359-F361 HydrophobicContact SD-CE2 3.74Å; M359-F361 HydrophobicContact SD-CZ 3.95Å; M359-Y449 PolarHBondContact O-OH 2.72Å
360K98.1Very high95.8Very high109 Ų10942.6 Ų42.647%0.47422%0.216SC..  trans-88.1149169.5-56.3-169-175.4-176.20110N197 G198 Y362 Y449 G451 I453N197-K360 VanDerWaalsContact CB-O 3.27Å; N197-K360 WeakPolarHBondContact CB-O 3.39Å; N197-K360 PolarHBondContact OD1-N 2.87Å; N197-K360 VanDerWaalsContact OD1-N 3.14Å; N197-K360 PolarHBondContact OD1-O 3.42Å; G198-K360 PolarHBondContact N-O 2.85Å; K360-Y362 HydrophobicContact CB-CE2 4.46Å; K360-Y449 WeakPolarHBondContact CA-OH 3.36Å; K360-G451 WeakPolarHBondContact CA-O 3.34Å; K360-G451 WeakPolarHBondContact CB-O 3.26Å; K360-I453 HydrophobicContact CB-CD1 4.23Å; K360-I453 HydrophobicContact CD-CD1 3.78Å
361F98.6Very high96Very high0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-114.5124.9175.1-85-100.2000110.6G198 L200 I209 Y211 P354 M359 F445 Y449 G451 L452 I453G198-F361 WeakPolarHBondContact O-CA 3.12Å; L200-F361 HydrophobicContact CD1-CB 4Å; L200-F361 HydrophobicContact CD1-CD1 4.03Å; L200-F361 HydrophobicContact CD1-CG 4.31Å; L200-F361 HydrophobicContact CG-CD1 3.85Å; I209-F361 HydrophobicContact CD1-CE1 4.09Å; I209-F361 HydrophobicContact CG1-CE1 3.97Å; Y211-F361 AromaticContact CD1-CE1 3.76Å; Y211-F361 HydrophobicContact CD1-CE1 3.76Å; Y211-F361 AromaticContact CD1-CZ 3.62Å; Y211-F361 HydrophobicContact CD1-CZ 3.62Å; Y211-F361 HydrophobicContact CE1-CZ 4.39Å; Y211-F361 HydrophobicContact CG-CE1 4.17Å; Y211-F361 AromaticContact CG-CZ 3.72Å; Y211-F361 HydrophobicContact CG-CZ 3.72Å; P354-F361 HydrophobicContact CB-CE2 3.84Å; P354-F361 HydrophobicContact CB-CZ 3.92Å; P354-F361 HydrophobicContact CG-CE2 3.86Å; P354-F361 HydrophobicContact CG-CZ 3.97Å; M359-F361 HydrophobicContact CG-CD2 4.37Å; M359-F361 HydrophobicContact CG-CE2 4.02Å; M359-F361 HydrophobicContact SD-CE2 3.74Å; M359-F361 HydrophobicContact SD-CZ 3.95Å; F361-F445 HydrophobicContact CB-CE1 4.47Å; F361-F445 HydrophobicContact CD1-CE1 4.46Å; F361-F445 AromaticContact CD1-CZ 3.94Å; F361-F445 HydrophobicContact CD1-CZ 3.94Å; F361-F445 AromaticContact CD2-CE1 3.54Å; F361-F445 HydrophobicContact CD2-CE1 3.54Å; F361-F445 AromaticContact CD2-CZ 3.75Å; F361-F445 HydrophobicContact CD2-CZ 3.75Å; F361-F445 AromaticContact CE1-CZ 3.87Å; F361-F445 HydrophobicContact CE1-CZ 3.87Å; F361-F445 AromaticContact CE2-CE1 3.75Å; F361-F445 HydrophobicContact CE2-CE1 3.75Å; F361-F445 AromaticContact CE2-CZ 3.69Å; F361-F445 HydrophobicContact CE2-CZ 3.69Å; F361-F445 AromaticContact CG-CE1 3.9Å; F361-F445 HydrophobicContact CG-CE1 3.9Å; F361-F445 AromaticContact CG-CZ 3.85Å; F361-F445 HydrophobicContact CG-CZ 3.85Å; F361-F445 HydrophobicContact CZ-CE1 4.28Å; F361-F445 AromaticContact CZ-CZ 3.74Å; F361-F445 HydrophobicContact CZ-CZ 3.74Å; F361-Y449 WeakPolarHBondContact CD2-OH 3.07Å; F361-Y449 PolarHBondContact N-OH 3.37Å; F361-Y449 VanDerWaalsContact N-OH 3.14Å; F361-G451 PolarHBondContact N-O 2.76Å; F361-L452 HydrophobicContact CB-CD1 4.49Å; F361-L452 WeakPolarHBondContact O-CA 3.36Å; F361-I453 PolarHBondContact O-N 3.47Å
362Y98.5Very high96.1Very high29 Ų2945.4 Ų45.411%0.11423%0.228CC..EExtended strand (participates in β ladder)trans-89.2112.8176.1-74.8-107.1000108.9V175 L179 N197 G198 L200 K360 I453 T455 I458V175-Y362 HydrophobicContact CG1-CD2 3.77Å; V175-Y362 HydrophobicContact CG1-CE2 4.44Å; V175-Y362 HydrophobicContact CG1-CG 3.87Å; L179-Y362 HydrophobicContact CD1-CD2 4.19Å; L179-Y362 HydrophobicContact CD1-CE1 4.34Å; L179-Y362 HydrophobicContact CD1-CE2 3.54Å; L179-Y362 HydrophobicContact CD2-CE1 4.2Å; L179-Y362 WeakPolarHBondContact CD2-OH 3.1Å; N197-Y362 HydrophobicContact CB-CD2 4.02Å; N197-Y362 HydrophobicContact CB-CE2 3.93Å; G198-Y362 PolarHBondContact O-N 3Å; L200-Y362 PolarHBondContact N-O 3.21Å; K360-Y362 HydrophobicContact CB-CE2 4.46Å; Y362-I453 CarbonylContact C-O 3.39Å; Y362-I453 WeakPolarHBondContact CA-O 3.49Å; Y362-I453 HydrophobicContact CD1-CB 4.35Å; Y362-I453 HydrophobicContact CD1-CG2 4.21Å; Y362-I453 HydrophobicContact CE1-CB 4.41Å; Y362-I453 HydrophobicContact CE1-CD1 4.23Å; Y362-I453 HydrophobicContact CE1-CG2 4.09Å; Y362-I453 HydrophobicContact CE2-CD1 4.03Å; Y362-T455 HydrophobicContact CD1-CG2 3.8Å; Y362-I458 HydrophobicContact CD1-CD1 3.63Å; Y362-I458 HydrophobicContact CD1-CG1 4.22Å; Y362-I458 HydrophobicContact CE1-CD1 3.7Å; Y362-I458 HydrophobicContact CE1-CG1 4.15Å; Y362-I458 HydrophobicContact CG-CD1 4.43Å
363G98.2Very high96.4Very high0 Ų044.4 Ų44.40%022%0.224CC..EExtended strand (participates in β ladder)trans-94.1115.9-177.500000112.1L200 I453 P454 T455L200-G363 CarbonylContact O-C 3.58Å; L200-G363 WeakPolarHBondContact O-CA 3.25Å; G363-I453 PolarHBondContact N-O 3.35Å; G363-P454 WeakPolarHBondContact O-CA 3.16Å; G363-T455 PolarHBondContact O-N 3Å
364L97.4Very high96.6Very high4 Ų440 Ų402%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-102.7167.8-175-46.5-175.2000112.1M199 L200 D201 E366 F367 T455 L463M199-L364 HydrophobicContact CG-CD1 4.16Å; M199-L364 HydrophobicContact SD-CD1 4.42Å; L200-L364 PolarHBondContact O-N 3.05Å; D201-L364 HydrophobicContact CB-CB 4.21Å; L364-E366 PolarHBondContact O-N 3.22Å; L364-E366 VanDerWaalsContact O-N 3.17Å; L364-F367 WeakPolarHBondContact O-CB 3.25Å; L364-F367 PolarHBondContact O-N 2.99Å; L364-F367 VanDerWaalsContact O-N 3.1Å; L364-T455 HydrophobicContact CD2-CG2 4.34Å; L364-T455 WeakPolarHBondContact CD2-O 3.36Å; L364-L463 HydrophobicContact CD1-CD2 4.02Å; L364-L463 HydrophobicContact CD1-CG 3.87Å; L364-L463 HydrophobicContact CD2-CD2 3.22Å; L364-L463 HydrophobicContact CD2-CG 3.79Å; L364-L463 HydrophobicContact CG-CD2 4.24Å
365S95.6Very high96.7Very high29 Ų2945.5 Ų45.520%0.20322%0.223CC..EExtended strand (participates in β ladder)trans54.3-118.5174.3-55.80000111.9D201 M202 F367 Y368 Y369D201-S365 WeakPolarHBondContact OD1-CB 3.4Å; D201-S365 PolarHBondContact OD1-OG 2.96Å; M202-S365 WeakPolarHBondContact O-CB 3.18Å; S365-F367 PolarHBondContact O-N 2.88Å; S365-Y368 WeakPolarHBondContact O-CA 3.09Å; S365-Y368 WeakPolarHBondContact O-CB 3.37Å; S365-Y368 PolarHBondContact O-N 2.85Å; S365-Y369 WeakPolarHBondContact O-CD2 3.41Å; S365-Y369 PolarHBondContact O-N 3.17Å
366E97.1Very high96.8Very high22 Ų2242 Ų4210%0.10321%0.205CC..Hα-helixtrans-68.4-18.6-175.3-65.7-78.2164.600113.3M202 M252 L364 Y368 T370 K431M202-E366 HydrophobicContact CB-CB 4.11Å; M202-E366 HydrophobicContact CG-CB 4.06Å; M202-E366 VanDerWaalsContact O-CB 3.25Å; M202-E366 WeakPolarHBondContact O-CB 3.45Å; M202-E366 VanDerWaalsContact O-CG 3.25Å; M202-E366 WeakPolarHBondContact O-CG 3.45Å; M202-E366 PolarHBondContact O-N 3.22Å; M202-E366 HydrophobicContact SD-CB 4.06Å; M252-E366 HydrophobicContact CB-CB 4.24Å; M252-E366 HydrophobicContact CB-CG 3.62Å; M252-E366 HydrophobicContact CE-CB 3.94Å; M252-E366 HydrophobicContact CE-CG 4.41Å; M252-E366 HydrophobicContact CG-CG 4.1Å; L364-E366 PolarHBondContact O-N 3.22Å; L364-E366 VanDerWaalsContact O-N 3.17Å; E366-Y368 VanDerWaalsContact C-N 3.32Å; E366-T370 WeakPolarHBondContact O-CB 3.34Å; E366-T370 PolarHBondContact O-N 3.33Å; E366-T370 VanDerWaalsContact O-N 3.14Å; E366-T370 PolarHBondContact O-OG1 3.36Å; E366-K431 IonicContact OE1-NZ 3.36Å; E366-K431 PolarHBondContact OE1-NZ 3.3Å; E366-K431 VanDerWaalsContact OE1-NZ 3.16Å; E366-K431 WeakPolarHBondContact OE2-CD 3.37Å; E366-K431 WeakPolarHBondContact OE2-CE 3.31Å; E366-K431 IonicContact OE2-NZ 3.26Å; E366-K431 PolarHBondContact OE2-NZ 3Å
367F98.1Very high96.9Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-60.7-44.7166.1-77.3-82.3000111.1L200 M202 M207 L364 S365 L371 L435 F439 L452L200-F367 HydrophobicContact CB-CD2 4.06Å; L200-F367 HydrophobicContact CB-CE2 3.67Å; L200-F367 HydrophobicContact CB-CZ 3.97Å; L200-F367 HydrophobicContact CD1-CE1 4.27Å; L200-F367 HydrophobicContact CD1-CZ 4.13Å; L200-F367 HydrophobicContact CD2-CZ 4.31Å; L200-F367 HydrophobicContact CG-CE2 4.5Å; L200-F367 HydrophobicContact CG-CZ 4.36Å; M202-F367 HydrophobicContact CB-CD2 3.73Å; M202-F367 HydrophobicContact CB-CE2 3.68Å; M202-F367 HydrophobicContact CE-CE2 4.26Å; M202-F367 HydrophobicContact CE-CZ 4.22Å; M207-F367 HydrophobicContact CG-CE2 4.44Å; M207-F367 HydrophobicContact SD-CE2 4.33Å; M207-F367 HydrophobicContact SD-CZ 4.22Å; L364-F367 WeakPolarHBondContact O-CB 3.25Å; L364-F367 PolarHBondContact O-N 2.99Å; L364-F367 VanDerWaalsContact O-N 3.1Å; S365-F367 PolarHBondContact O-N 2.88Å; F367-L371 WeakPolarHBondContact O-CB 3.48Å; F367-L371 WeakPolarHBondContact O-CD1 3.4Å; F367-L371 WeakPolarHBondContact O-CG 3.46Å; F367-L371 PolarHBondContact O-N 3.02Å; F367-L435 HydrophobicContact CD1-CD1 4.2Å; F367-L435 HydrophobicContact CD1-CD2 4.31Å; F367-L435 HydrophobicContact CD1-CG 4.07Å; F367-L435 HydrophobicContact CE1-CD2 4.48Å; F367-L435 HydrophobicContact CE1-CG 4.29Å; F367-F439 HydrophobicContact CE1-CB 4.33Å; F367-F439 HydrophobicContact CE1-CD2 4.18Å; F367-F439 HydrophobicContact CE1-CG 4.4Å; F367-L452 HydrophobicContact CD1-CD1 4.45Å; F367-L452 HydrophobicContact CD1-CD2 4.28Å
368Y97.8Very high96.9Very high55 Ų5537.5 Ų37.522%0.21619%0.186CC..Hα-helixtrans-71.3-56.1176.5174.9-92.5000112.4S365 E366 T370 L371 E372 I377 P454 L456S365-Y368 WeakPolarHBondContact O-CA 3.09Å; S365-Y368 WeakPolarHBondContact O-CB 3.37Å; S365-Y368 PolarHBondContact O-N 2.85Å; E366-Y368 VanDerWaalsContact C-N 3.32Å; Y368-T370 VanDerWaalsContact C-N 3.27Å; Y368-T370 PolarHBondContact O-N 3.43Å; Y368-L371 PolarHBondContact O-N 3.02Å; Y368-E372 HydrophobicContact CD1-CB 4.48Å; Y368-E372 HydrophobicContact CE1-CB 4.19Å; Y368-E372 HydrophobicContact CE1-CG 4.29Å; Y368-E372 VanDerWaalsContact O-CB 3.25Å; Y368-E372 WeakPolarHBondContact O-CB 3.37Å; Y368-E372 PolarHBondContact O-N 3.27Å; Y368-I377 HydrophobicContact CD2-CG2 4.14Å; Y368-I377 HydrophobicContact CE2-CD1 3.95Å; Y368-I377 HydrophobicContact CE2-CG2 4.18Å; Y368-P454 HydrophobicContact CD2-CB 4.5Å; Y368-L456 HydrophobicContact CD1-CD1 3.38Å; Y368-L456 HydrophobicContact CD1-CD2 3.94Å; Y368-L456 HydrophobicContact CD1-CG 3.34Å; Y368-L456 HydrophobicContact CD2-CG 4.2Å; Y368-L456 HydrophobicContact CE1-CD1 3.33Å; Y368-L456 HydrophobicContact CE1-CG 3.67Å; Y368-L456 HydrophobicContact CE2-CG 4.45Å; Y368-L456 HydrophobicContact CG-CD1 4.19Å; Y368-L456 HydrophobicContact CG-CD2 4.1Å; Y368-L456 HydrophobicContact CG-CG 3.62Å
369Y96.3Very high96.9Very high106 Ų10640.5 Ų40.542%0.41620%0.203SC..Hα-helixtrans-62.6-34.8-171.7-64.9-62.6000113S365 T373 L456S365-Y369 WeakPolarHBondContact O-CD2 3.41Å; S365-Y369 PolarHBondContact O-N 3.17Å; Y369-T373 WeakPolarHBondContact O-CB 3.13Å; Y369-T373 PolarHBondContact O-N 3.43Å; Y369-T373 VanDerWaalsContact O-N 3.13Å; Y369-T373 PolarHBondContact O-OG1 2.8Å; Y369-L456 HydrophobicContact CD1-CD1 4.5Å; Y369-L456 HydrophobicContact CE1-CD1 3.63Å; Y369-L456 HydrophobicContact CE2-CD2 4.23Å; Y369-L456 WeakPolarHBondContact OH-CD1 3.31Å
370T97.9Very high96.7Very high1 Ų142.3 Ų42.31%0.00622%0.215CC..Hα-helixtrans-69.8-48.2178-570000110.9E366 Y368 T373 L374 I428 K431 A432 L435E366-T370 WeakPolarHBondContact O-CB 3.34Å; E366-T370 PolarHBondContact O-N 3.33Å; E366-T370 VanDerWaalsContact O-N 3.14Å; E366-T370 PolarHBondContact O-OG1 3.36Å; Y368-T370 VanDerWaalsContact C-N 3.27Å; Y368-T370 PolarHBondContact O-N 3.43Å; T370-T373 PolarHBondContact O-N 2.86Å; T370-L374 PolarHBondContact O-N 3.14Å; T370-I428 HydrophobicContact CG2-CD1 4.03Å; T370-K431 HydrophobicContact CG2-CB 3.99Å; T370-A432 VanDerWaalsContact CG2-CA 3.45Å; T370-A432 HydrophobicContact CG2-CB 3.72Å; T370-L435 HydrophobicContact CG2-CB 4.4Å; T370-L435 HydrophobicContact CG2-CD1 3.77Å
371L98.1Very high96.6Very high1 Ų142.8 Ų42.81%0.00522%0.219CC..Hα-helixtrans-71.5-31.7179.8-67.8174.9000112.4F367 Y368 T373 L374 K375 L376 I377 Y382 V387 L435 L452 P454F367-L371 WeakPolarHBondContact O-CB 3.48Å; F367-L371 WeakPolarHBondContact O-CD1 3.4Å; F367-L371 WeakPolarHBondContact O-CG 3.46Å; F367-L371 PolarHBondContact O-N 3.02Å; Y368-L371 PolarHBondContact O-N 3.02Å; L371-T373 VanDerWaalsContact C-N 3.32Å; L371-T373 PolarHBondContact O-N 2.95Å; L371-L374 CarbonylContact O-C 3.6Å; L371-L374 PolarHBondContact O-N 2.65Å; L371-K375 PolarHBondContact O-N 2.97Å; L371-K375 VanDerWaalsContact O-N 3.14Å; L371-L376 HydrophobicContact CB-CB 4.46Å; L371-L376 HydrophobicContact CD2-CB 4.33Å; L371-L376 PolarHBondContact O-N 2.86Å; L371-I377 HydrophobicContact CB-CG2 4.17Å; L371-Y382 HydrophobicContact CD1-CD2 3.95Å; L371-Y382 HydrophobicContact CD1-CE2 4.13Å; L371-Y382 HydrophobicContact CD2-CE2 4.35Å; L371-V387 HydrophobicContact CD2-CG1 4.27Å; L371-V387 HydrophobicContact CD2-CG2 4.13Å; L371-L435 HydrophobicContact CG-CD1 4.23Å; L371-L452 HydrophobicContact CD1-CD2 4.23Å; L371-P454 HydrophobicContact CB-CB 4.34Å; L371-P454 HydrophobicContact CB-CG 4.26Å; L371-P454 HydrophobicContact CD1-CB 3.91Å; L371-P454 HydrophobicContact CD1-CG 3.76Å
372E96.7Very high96.5Very high67 Ų6742.9 Ų42.931%0.31322%0.22SC..Hα-helixtrans-60.4-43.9170.7-178.2-81.516100110.7Y368 L374 K375 I377 K425Y368-E372 HydrophobicContact CD1-CB 4.48Å; Y368-E372 HydrophobicContact CE1-CB 4.19Å; Y368-E372 HydrophobicContact CE1-CG 4.29Å; Y368-E372 VanDerWaalsContact O-CB 3.25Å; Y368-E372 WeakPolarHBondContact O-CB 3.37Å; Y368-E372 PolarHBondContact O-N 3.27Å; E372-L374 PolarHBondContact O-N 2.8Å; E372-K375 WeakPolarHBondContact O-CA 3.34Å; E372-K375 PolarHBondContact O-N 3.44Å; E372-I377 HydrophobicContact CB-CD1 4.19Å; E372-I377 HydrophobicContact CB-CG2 3.96Å; E372-I377 HydrophobicContact CG-CD1 3.94Å; E372-K425 IonicContact OE1-NZ 2.98Å; E372-K425 IonicContact OE2-NZ 3.55Å; E372-K425 PolarHBondContact OE2-NZ 2.99Å
373T95.7Very high96.5Very high24 Ų2444.1 Ų44.115%0.14723%0.228CC..Hα-helixtrans-62.9-32.3178.7-600000112Y369 T370 L371 K375 K425 I428Y369-T373 WeakPolarHBondContact O-CB 3.13Å; Y369-T373 PolarHBondContact O-N 3.43Å; Y369-T373 VanDerWaalsContact O-N 3.13Å; Y369-T373 PolarHBondContact O-OG1 2.8Å; T370-T373 PolarHBondContact O-N 2.86Å; L371-T373 VanDerWaalsContact C-N 3.32Å; L371-T373 PolarHBondContact O-N 2.95Å; T373-K375 VanDerWaalsContact C-N 3.27Å; T373-K425 HydrophobicContact CG2-CB 4.27Å; T373-K425 HydrophobicContact CG2-CD 3.96Å; T373-K425 HydrophobicContact CG2-CG 3.87Å; T373-K425 PolarHBondContact OG1-NZ 3.29Å; T373-I428 HydrophobicContact CG2-CB 4.18Å; T373-I428 HydrophobicContact CG2-CD1 3.55Å; T373-I428 HydrophobicContact CG2-CG1 3.67Å
374L96.6Very high96.5Very high3 Ų346.4 Ų46.42%0.01624%0.237CC..THydrogen-bonded Turntrans-82.8-0.7173.6-61.4-178.6000113.5T370 L371 E372 L376 K390 I391 T394 I428 A432T370-L374 PolarHBondContact O-N 3.14Å; L371-L374 CarbonylContact O-C 3.6Å; L371-L374 PolarHBondContact O-N 2.65Å; E372-L374 PolarHBondContact O-N 2.8Å; L374-L376 VanDerWaalsContact C-N 3.32Å; L374-L376 HydrophobicContact CB-CB 4.49Å; L374-L376 HydrophobicContact CB-CD1 3.95Å; L374-L376 HydrophobicContact CB-CG 3.99Å; L374-L376 HydrophobicContact CD1-CD1 4.37Å; L374-K390 HydrophobicContact CB-CG 4.07Å; L374-K390 HydrophobicContact CD2-CG 4.46Å; L374-K390 WeakPolarHBondContact O-CG 3.38Å; L374-I391 HydrophobicContact CD1-CG1 3.73Å; L374-T394 HydrophobicContact CD2-CG2 4.42Å; L374-I428 HydrophobicContact CD2-CD1 4.19Å; L374-I428 HydrophobicContact CD2-CG1 3.94Å; L374-I428 HydrophobicContact CG-CD1 4.26Å; L374-A432 HydrophobicContact CD1-CB 3.88Å
375K95.5Very high96.5Very high124 Ų12450.1 Ų50.154%0.53926%0.263SS..THydrogen-bonded Turntrans61.437.8-174.7-51.7179.6-179.51790112.4L371 E372 T373 E409L371-K375 PolarHBondContact O-N 2.97Å; L371-K375 VanDerWaalsContact O-N 3.14Å; E372-K375 WeakPolarHBondContact O-CA 3.34Å; E372-K375 PolarHBondContact O-N 3.44Å; T373-K375 VanDerWaalsContact C-N 3.27Å; K375-E409 VanDerWaalsContact NZ-CD 3.25Å; K375-E409 IonicContact NZ-OE1 3.05Å; K375-E409 PolarHBondContact NZ-OE1 3.34Å; K375-E409 IonicContact NZ-OE2 2.74Å; K375-E409 PolarHBondContact NZ-OE2 3.1Å
376L96.9Very high96.7Very high10 Ų1050.8 Ų50.85%0.05227%0.265CS..  trans-120.845-176.2-60.4180000112.6L371 L374 V380 L386 V387 K390L371-L376 HydrophobicContact CB-CB 4.46Å; L371-L376 HydrophobicContact CD2-CB 4.33Å; L371-L376 PolarHBondContact O-N 2.86Å; L374-L376 VanDerWaalsContact C-N 3.32Å; L374-L376 HydrophobicContact CB-CB 4.49Å; L374-L376 HydrophobicContact CB-CD1 3.95Å; L374-L376 HydrophobicContact CB-CG 3.99Å; L374-L376 HydrophobicContact CD1-CD1 4.37Å; L376-V380 HydrophobicContact CD2-CG1 4.07Å; L376-L386 HydrophobicContact CD2-CD1 4.32Å; L376-L386 HydrophobicContact CD2-CD2 3.76Å; L376-L386 HydrophobicContact CD2-CG 3.78Å; L376-V387 HydrophobicContact CD1-CB 4.12Å; L376-V387 HydrophobicContact CD1-CG2 3.64Å; L376-K390 HydrophobicContact CD1-CB 3.93Å; L376-K390 HydrophobicContact CD1-CG 4.31Å
377I96Very high96.7Very high39 Ų3949.9 Ų49.920%0.226%0.26CS..  trans-112.2162.8173.857.1168000110.1Y368 L371 E372 V380 P454Y368-I377 HydrophobicContact CD2-CG2 4.14Å; Y368-I377 HydrophobicContact CE2-CD1 3.95Å; Y368-I377 HydrophobicContact CE2-CG2 4.18Å; L371-I377 HydrophobicContact CB-CG2 4.17Å; E372-I377 HydrophobicContact CB-CD1 4.19Å; E372-I377 HydrophobicContact CB-CG2 3.96Å; E372-I377 HydrophobicContact CG-CD1 3.94Å; I377-V380 CarbonylContact C-O 3.45Å; I377-V380 VanDerWaalsContact O-CB 3.3Å; I377-V380 WeakPolarHBondContact O-CB 3.36Å; I377-V380 PolarHBondContact O-N 2.97Å; I377-P454 HydrophobicContact CB-CG 4.44Å; I377-P454 HydrophobicContact CG2-CB 4.21Å; I377-P454 HydrophobicContact CG2-CG 3.93Å
378P93.9Very high96.7Very high71 Ų7152 Ų5246%0.46127%0.271SS..THydrogen-bonded Turntrans-45.9136.2176.9-32.136.8000112.9I453P378-I453 HydrophobicContact CG-CG2 4.16Å
379P93.7Very high96.7Very high138 Ų13855.4 Ų55.490%0.89628%0.284SS*.THydrogen-bonded Turncis-82.52.912.734.9-37.5000115.2Q381P379-Q381 PolarHBondContact O-N 3.27Å
380V94.4Very high96.8Very high56 Ų5653.2 Ų53.234%0.33928%0.277SS..SBendtrans-70.1117.7173.4-173.60000108.7L376 I377 L386L376-V380 HydrophobicContact CD2-CG1 4.07Å; I377-V380 CarbonylContact C-O 3.45Å; I377-V380 VanDerWaalsContact O-CB 3.3Å; I377-V380 WeakPolarHBondContact O-CB 3.36Å; I377-V380 PolarHBondContact O-N 2.97Å; V380-L386 HydrophobicContact CG1-CD2 4.03Å
381Q95.2Very high96.8Very high119 Ų11953.2 Ų53.256%0.55628%0.277SS*.PPolyproline II helixtrans-69.8140.2174.8-171.5179.26.200110P379 N383 E450P379-Q381 PolarHBondContact O-N 3.27Å; Q381-N383 PolarHBondContact O-N 3.36Å; Q381-E450 HydrophobicContact CG-CB 4.26Å; Q381-E450 VanDerWaalsContact NE2-CB 3.3Å; Q381-E450 PolarHBondContact NE2-OE2 2.86Å
382Y97.5Very high96.8Very high3 Ų357.3 Ų57.31%0.01230%0.296CS..PPolyproline II helixtrans-62.3130.2174.3-178.7-91.3000110.5L371 V387 F439 H440 E450 L452L371-Y382 HydrophobicContact CD1-CD2 3.95Å; L371-Y382 HydrophobicContact CD1-CE2 4.13Å; L371-Y382 HydrophobicContact CD2-CE2 4.35Å; Y382-V387 HydrophobicContact CD2-CG2 3.94Å; Y382-V387 HydrophobicContact CE2-CG2 3.59Å; Y382-F439 HydrophobicContact CE1-CD1 4.33Å; Y382-F439 AromaticContact CE1-CE1 3.84Å; Y382-F439 HydrophobicContact CE1-CE1 3.84Å; Y382-F439 AromaticContact CZ-CE1 3.97Å; Y382-H440 AromaticContact CE1-NE2 3.51Å; Y382-H440 AromaticContact CZ-NE2 3.53Å; Y382-H440 PolarHBondContact OH-CD2 2.9Å; Y382-H440 PolarHBondContact OH-NE2 2.94Å; Y382-E450 WeakPolarHBondContact O-CA 3.48Å; Y382-E450 WeakPolarHBondContact O-CB 3.05Å; Y382-L452 WeakPolarHBondContact CB-O 3.44Å; Y382-L452 HydrophobicContact CD1-CB 4.08Å; Y382-L452 HydrophobicContact CD2-CB 4.34Å; Y382-L452 HydrophobicContact CD2-CD2 3.71Å; Y382-L452 HydrophobicContact CD2-CG 4.37Å; Y382-L452 HydrophobicContact CE2-CD2 3.7Å; Y382-L452 HydrophobicContact CG-CB 3.89Å; Y382-L452 HydrophobicContact CG-CD2 4.12Å; Y382-L452 HydrophobicContact CG-CG 4.41Å
383N98.1Very high96.8Very high54 Ų5457.9 Ų57.929%0.28930%0.298SS..  trans-144.9124.6174.9177.5-77.9000109.1Q381 S385 L386 V387 E450Q381-N383 PolarHBondContact O-N 3.36Å; N383-S385 PolarHBondContact O-N 2.8Å; N383-S385 PolarHBondContact OD1-N 2.93Å; N383-L386 HydrophobicContact CB-CB 3.98Å; N383-L386 PolarHBondContact O-N 3Å; N383-L386 PolarHBondContact OD1-N 2.87Å; N383-L386 VanDerWaalsContact OD1-N 3.08Å; N383-V387 VanDerWaalsContact O-CG2 3.26Å; N383-V387 WeakPolarHBondContact O-CG2 3.45Å; N383-V387 PolarHBondContact O-N 2.88Å; N383-E450 PolarHBondContact ND2-OE1 2.53Å; N383-E450 VanDerWaalsContact ND2-OE1 3.15Å
384Y98.2Very high96.9Very high48 Ų4857.6 Ų57.619%0.18830%0.297CS..Hα-helixtrans-55.2-48.5-174174.8-109.7000113.3L386 V387 L388 V436 H440 T447Y384-L386 PolarHBondContact O-N 2.96Å; Y384-V387 PolarHBondContact O-N 3.2Å; Y384-L388 HydrophobicContact CD1-CD1 4.12Å; Y384-L388 HydrophobicContact CD2-CG 4.43Å; Y384-L388 HydrophobicContact CE1-CD1 3.46Å; Y384-L388 VanDerWaalsContact CE1-CD1 3.46Å; Y384-L388 HydrophobicContact CE1-CG 4.25Å; Y384-L388 HydrophobicContact CE2-CD1 4.06Å; Y384-L388 HydrophobicContact CE2-CD2 4.22Å; Y384-L388 HydrophobicContact CE2-CG 4.08Å; Y384-L388 VanDerWaalsContact CZ-CD1 3.45Å; Y384-L388 WeakPolarHBondContact O-CG 3.43Å; Y384-L388 PolarHBondContact O-N 2.96Å; Y384-V436 HydrophobicContact CD2-CG1 4.12Å; Y384-V436 HydrophobicContact CE2-CG1 3.6Å; Y384-H440 AromaticContact CD2-CD2 3.34Å; Y384-H440 WeakPolarHBondContact CD2-CD2 3.39Å; Y384-H440 AromaticContact CD2-CG 3.96Å; Y384-H440 AromaticContact CD2-NE2 3.38Å; Y384-H440 WeakPolarHBondContact CD2-NE2 3.35Å; Y384-H440 HydrophobicContact CE2-CB 4.47Å; Y384-H440 AromaticContact CE2-CD2 3.69Å; Y384-T447 WeakPolarHBondContact CB-O 3.48Å; Y384-T447 HydrophobicContact CD1-CG2 3.76Å; Y384-T447 HydrophobicContact CD2-CG2 4.3Å; Y384-T447 HydrophobicContact CE1-CG2 3.62Å; Y384-T447 HydrophobicContact CE2-CG2 4.16Å; Y384-T447 HydrophobicContact CG-CG2 4.08Å
385S98Very high97Very high82 Ų8257.6 Ų57.657%0.57330%0.297SS*.Hα-helixtrans-66.3-38.7-178.7-58.90000112.2N383 R389N383-S385 PolarHBondContact O-N 2.8Å; N383-S385 PolarHBondContact OD1-N 2.93Å; S385-R389 WeakPolarHBondContact O-CB 3.36Å; S385-R389 PolarHBondContact O-N 3.48Å
386L98.1Very high97Very high44 Ų4454.8 Ų54.823%0.2329%0.293CS..Hα-helixtrans-62.3-44.4173.9175.359.4000111.4L376 V380 N383 Y384 R389 K390L376-L386 HydrophobicContact CD2-CD1 4.32Å; L376-L386 HydrophobicContact CD2-CD2 3.76Å; L376-L386 HydrophobicContact CD2-CG 3.78Å; V380-L386 HydrophobicContact CG1-CD2 4.03Å; N383-L386 HydrophobicContact CB-CB 3.98Å; N383-L386 PolarHBondContact O-N 3Å; N383-L386 PolarHBondContact OD1-N 2.87Å; N383-L386 VanDerWaalsContact OD1-N 3.08Å; Y384-L386 PolarHBondContact O-N 2.96Å; L386-R389 PolarHBondContact O-N 3.18Å; L386-K390 WeakPolarHBondContact O-CB 3.15Å; L386-K390 PolarHBondContact O-N 3.24Å
387V98.3Very high97Very high2 Ų256.2 Ų56.21%0.01230%0.302CS..Hα-helixtrans-61.7-51.3177.9174.20000110.4L371 L376 Y382 N383 Y384 R389 K390 I391 V436L371-V387 HydrophobicContact CD2-CG1 4.27Å; L371-V387 HydrophobicContact CD2-CG2 4.13Å; L376-V387 HydrophobicContact CD1-CB 4.12Å; L376-V387 HydrophobicContact CD1-CG2 3.64Å; Y382-V387 HydrophobicContact CD2-CG2 3.94Å; Y382-V387 HydrophobicContact CE2-CG2 3.59Å; N383-V387 VanDerWaalsContact O-CG2 3.26Å; N383-V387 WeakPolarHBondContact O-CG2 3.45Å; N383-V387 PolarHBondContact O-N 2.88Å; Y384-V387 PolarHBondContact O-N 3.2Å; V387-R389 VanDerWaalsContact C-N 3.32Å; V387-R389 PolarHBondContact O-N 3.32Å; V387-K390 PolarHBondContact O-N 3.3Å; V387-K390 VanDerWaalsContact O-N 3.08Å; V387-I391 HydrophobicContact CG1-CD1 3.86Å; V387-I391 HydrophobicContact CG1-CG1 4.36Å; V387-I391 VanDerWaalsContact O-CG1 3.3Å; V387-I391 WeakPolarHBondContact O-CG1 3.42Å; V387-I391 PolarHBondContact O-N 3.13Å; V387-V436 HydrophobicContact CG1-CG2 3.48Å; V387-V436 VanDerWaalsContact CG1-CG2 3.48Å
388L98.1Very high97.1Very high44 Ų4456.8 Ų56.823%0.2331%0.308CS..Hα-helixtrans-55.9-46.4178.2-72.1-176.6000112.1M322 Y384 K390 I391 E392 V436M322-L388 HydrophobicContact CE-CB 4.16Å; M322-L388 HydrophobicContact CE-CD2 3.41Å; M322-L388 VanDerWaalsContact CE-CD2 3.41Å; M322-L388 HydrophobicContact CE-CG 4.36Å; Y384-L388 HydrophobicContact CD1-CD1 4.12Å; Y384-L388 HydrophobicContact CD2-CG 4.43Å; Y384-L388 HydrophobicContact CE1-CD1 3.46Å; Y384-L388 VanDerWaalsContact CE1-CD1 3.46Å; Y384-L388 HydrophobicContact CE1-CG 4.25Å; Y384-L388 HydrophobicContact CE2-CD1 4.06Å; Y384-L388 HydrophobicContact CE2-CD2 4.22Å; Y384-L388 HydrophobicContact CE2-CG 4.08Å; Y384-L388 VanDerWaalsContact CZ-CD1 3.45Å; Y384-L388 WeakPolarHBondContact O-CG 3.43Å; Y384-L388 PolarHBondContact O-N 2.96Å; L388-K390 VanDerWaalsContact C-N 3.3Å; L388-K390 PolarHBondContact O-N 2.96Å; L388-I391 PolarHBondContact O-N 2.94Å; L388-E392 PolarHBondContact O-N 3.24Å; L388-V436 HydrophobicContact CD2-CG1 3.95Å
389R98.3Very high97.3Very high128 Ų12854.5 Ų54.548%0.48329%0.291SS..Hα-helixtrans-60.1-41177.7-180173.958.283.7-6.5111.9S385 L386 V387 E392 E393S385-R389 WeakPolarHBondContact O-CB 3.36Å; S385-R389 PolarHBondContact O-N 3.48Å; L386-R389 PolarHBondContact O-N 3.18Å; V387-R389 VanDerWaalsContact C-N 3.32Å; V387-R389 PolarHBondContact O-N 3.32Å; R389-E392 PolarHBondContact O-N 2.97Å; R389-E393 HydrophobicContact CG-CG 4.41Å; R389-E393 WeakPolarHBondContact CG-OE1 3.08Å; R389-E393 IonicContact CZ-OE1 2.83Å; R389-E393 IonicContact NH1-OE1 2.6Å; R389-E393 PolarHBondContact NH1-OE1 3.01Å; R389-E393 IonicContact NH1-OE2 2.7Å; R389-E393 WeakPolarHBondContact O-CB 3.48Å; R389-E393 VanDerWaalsContact O-CG 3.31Å; R389-E393 WeakPolarHBondContact O-CG 3.38Å; R389-E393 PolarHBondContact O-N 3.1Å
390K98Very high97.5Very high60 Ų6054.1 Ų54.126%0.26128%0.277SS..Hα-helixtrans-71.2-32.2-179.7-153.671.7-162.2156.50112.9L374 L376 L386 V387 L388 E393 T394L374-K390 HydrophobicContact CB-CG 4.07Å; L374-K390 HydrophobicContact CD2-CG 4.46Å; L374-K390 WeakPolarHBondContact O-CG 3.38Å; L376-K390 HydrophobicContact CD1-CB 3.93Å; L376-K390 HydrophobicContact CD1-CG 4.31Å; L386-K390 WeakPolarHBondContact O-CB 3.15Å; L386-K390 PolarHBondContact O-N 3.24Å; V387-K390 PolarHBondContact O-N 3.3Å; V387-K390 VanDerWaalsContact O-N 3.08Å; L388-K390 VanDerWaalsContact C-N 3.3Å; L388-K390 PolarHBondContact O-N 2.96Å; K390-E393 WeakPolarHBondContact CD-OE2 3.46Å; K390-E393 IonicContact NZ-OE2 3.91Å; K390-E393 PolarHBondContact NZ-OE2 2.79Å; K390-T394 VanDerWaalsContact O-CB 3.29Å; K390-T394 WeakPolarHBondContact O-CB 3.43Å; K390-T394 PolarHBondContact O-N 2.81Å; K390-T394 PolarHBondContact O-OG1 2.84Å
391I97.9Very high97.7Very high1 Ų154.9 Ų54.91%0.00528%0.281CS..Hα-helixtrans-63.1-51.8170.5-62.6170.4000109.2M322 L374 V387 L388 E393 T394 C395 A432 V436M322-I391 HydrophobicContact CE-CB 3.81Å; M322-I391 HydrophobicContact CE-CD1 4.24Å; M322-I391 HydrophobicContact CE-CG2 3.79Å; M322-I391 HydrophobicContact CG-CG2 3.78Å; M322-I391 HydrophobicContact SD-CB 3.76Å; M322-I391 HydrophobicContact SD-CG2 3.53Å; M322-I391 VanDerWaalsContact SD-CG2 3.53Å; L374-I391 HydrophobicContact CD1-CG1 3.73Å; V387-I391 HydrophobicContact CG1-CD1 3.86Å; V387-I391 HydrophobicContact CG1-CG1 4.36Å; V387-I391 VanDerWaalsContact O-CG1 3.3Å; V387-I391 WeakPolarHBondContact O-CG1 3.42Å; V387-I391 PolarHBondContact O-N 3.13Å; L388-I391 PolarHBondContact O-N 2.94Å; I391-E393 PolarHBondContact O-N 3.17Å; I391-T394 PolarHBondContact O-N 2.97Å; I391-C395 VanDerWaalsContact O-CB 3.28Å; I391-C395 WeakPolarHBondContact O-CB 3.33Å; I391-C395 PolarHBondContact O-N 3.49Å; I391-C395 PolarHBondContact O-SG 2.95Å; I391-A432 HydrophobicContact CD1-CB 3.64Å; I391-A432 HydrophobicContact CG1-CB 3.57Å; I391-A432 HydrophobicContact CG2-CB 4.39Å; I391-V436 HydrophobicContact CD1-CG2 3.7Å
392E97.8Very high97.8Very high87 Ų8750.3 Ų50.341%0.40726%0.259SS..Hα-helixtrans-56-54.6178.6-172.568.1-153.600110.8M322 L388 R389 T394 C395 S396M322-E392 WeakPolarHBondContact CB-OE2 3.45Å; M322-E392 HydrophobicContact SD-CB 3.82Å; M322-E392 PolarHBondContact SD-N 3.24Å; M322-E392 VanDerWaalsContact SD-N 3.41Å; M322-E392 VanDerWaalsContact SD-OE2 3.34Å; L388-E392 PolarHBondContact O-N 3.24Å; R389-E392 PolarHBondContact O-N 2.97Å; E392-T394 VanDerWaalsContact C-N 3.26Å; E392-T394 PolarHBondContact O-N 3.06Å; E392-C395 PolarHBondContact O-N 3.4Å; E392-C395 VanDerWaalsContact O-N 3.11Å; E392-S396 WeakPolarHBondContact O-CB 3.49Å; E392-S396 PolarHBondContact O-N 2.75Å; E392-S396 PolarHBondContact O-OG 3.25Å; E392-S396 PolarHBondContact OE1-OG 3.39Å
393E97.5Very high97.7Very high78 Ų7852.2 Ų52.236%0.36427%0.27SS..Hα-helixtrans-53-43.3178-75.5172.3-165.300112.6R389 K390 I391 T397R389-E393 HydrophobicContact CG-CG 4.41Å; R389-E393 WeakPolarHBondContact CG-OE1 3.08Å; R389-E393 IonicContact CZ-OE1 2.83Å; R389-E393 IonicContact NH1-OE1 2.6Å; R389-E393 PolarHBondContact NH1-OE1 3.01Å; R389-E393 IonicContact NH1-OE2 2.7Å; R389-E393 WeakPolarHBondContact O-CB 3.48Å; R389-E393 VanDerWaalsContact O-CG 3.31Å; R389-E393 WeakPolarHBondContact O-CG 3.38Å; R389-E393 PolarHBondContact O-N 3.1Å; K390-E393 WeakPolarHBondContact CD-OE2 3.46Å; K390-E393 IonicContact NZ-OE2 3.91Å; K390-E393 PolarHBondContact NZ-OE2 2.79Å; I391-E393 PolarHBondContact O-N 3.17Å; E393-T397 PolarHBondContact O-OG1 2.77Å
394T97.3Very high97.6Very high19 Ų1952.3 Ų52.312%0.11727%0.274CS..Hα-helixtrans-69.9-45.7179.8-56.60000110.6L286 L374 K390 I391 E392 T397 Y402 I428L286-T394 WeakPolarHBondContact CD2-O 3.37Å; L374-T394 HydrophobicContact CD2-CG2 4.42Å; K390-T394 VanDerWaalsContact O-CB 3.29Å; K390-T394 WeakPolarHBondContact O-CB 3.43Å; K390-T394 PolarHBondContact O-N 2.81Å; K390-T394 PolarHBondContact O-OG1 2.84Å; I391-T394 PolarHBondContact O-N 2.97Å; E392-T394 VanDerWaalsContact C-N 3.26Å; E392-T394 PolarHBondContact O-N 3.06Å; T394-T397 WeakPolarHBondContact O-CB 3.35Å; T394-T397 PolarHBondContact O-N 3.45Å; T394-Y402 HydrophobicContact CG2-CD2 4.4Å; T394-Y402 HydrophobicContact CG2-CE2 3.98Å; T394-I428 HydrophobicContact CG2-CG2 3.95Å
395C97.6Very high97.5Very high2 Ų252.8 Ų52.81%0.01428%0.282CS..Hα-helixtrans-77.3-26-172.4-65.30000114.4G320 I391 E392 T397 C429G320-C395 WeakPolarHBondContact CA-O 3.26Å; G320-C395 CarbonylContact O-C 3.6Å; I391-C395 VanDerWaalsContact O-CB 3.28Å; I391-C395 WeakPolarHBondContact O-CB 3.33Å; I391-C395 PolarHBondContact O-N 3.49Å; I391-C395 PolarHBondContact O-SG 2.95Å; E392-C395 PolarHBondContact O-N 3.4Å; E392-C395 VanDerWaalsContact O-N 3.11Å; C395-T397 PolarHBondContact O-N 3.21Å; C395-C429 WeakPolarHBondContact CA-SG 3.36Å; C395-C429 HydrophobicContact CB-CB 4.11Å; C395-C429 WeakPolarHBondContact CB-SG 3.37Å; C395-C429 WeakPolarHBondContact SG-CA 3.4Å; C395-C429 WeakPolarHBondContact SG-CB 3.5Å; C395-C429 CovalentContact SG-SG 2.04Å; C395-C429 PolarHBondContact SG-SG 2.81Å
396S96.7Very high97.4Very high65 Ų6549.4 Ų49.446%0.45526%0.258SS..THydrogen-bonded Turntrans-74.5-4.3169.7-47.50000113.3E392E392-S396 WeakPolarHBondContact O-CB 3.49Å; E392-S396 PolarHBondContact O-N 2.75Å; E392-S396 PolarHBondContact O-OG 3.25Å; E392-S396 PolarHBondContact OE1-OG 3.39Å
397T96.9Very high97.2Very high40 Ų4051.1 Ų51.125%0.24526%0.261CS..SBendtrans-86.5126.7177.5-59.20000110.3L286 E393 T394 C395 T401L286-T397 WeakPolarHBondContact CD2-O 3.3Å; E393-T397 PolarHBondContact O-OG1 2.77Å; T394-T397 WeakPolarHBondContact O-CB 3.35Å; T394-T397 PolarHBondContact O-N 3.45Å; C395-T397 PolarHBondContact O-N 3.21Å; T397-T401 HydrophobicContact CG2-CG2 3.82Å
398P98.1Very high97.1Very high52 Ų5256.8 Ų56.834%0.33829%0.291SS..  trans-58.8146.1174.7-2635.1000112.6E400 T401 Y402P398-E400 VanDerWaalsContact C-N 3.32Å; P398-E400 PolarHBondContact O-N 2.99Å; P398-T401 WeakPolarHBondContact O-CB 3.29Å; P398-T401 PolarHBondContact O-N 2.65Å; P398-Y402 PolarHBondContact O-N 3.03Å
399W98Very high96.9Very high23 Ų2359.6 Ų59.69%0.08730%0.303CS..Hα-helixtrans-51.9-46.1-175.5173-112.2000113.8L286 E287 F289 T401 Y402 L403 V422 K426L286-W399 HydrophobicContact CB-CB 4.35Å; L286-W399 HydrophobicContact CB-CE3 4.3Å; L286-W399 HydrophobicContact CD1-CE3 3.61Å; L286-W399 HydrophobicContact CD1-CZ3 3.91Å; E287-W399 WeakPolarHBondContact O-CB 3.2Å; E287-W399 PolarHBondContact O-N 3.16Å; F289-W399 HydrophobicContact CB-CB 3.83Å; F289-W399 HydrophobicContact CB-CD2 3.91Å; F289-W399 HydrophobicContact CB-CE3 4.16Å; F289-W399 HydrophobicContact CB-CG 3.74Å; F289-W399 AromaticContact CD2-CD1 3.89Å; F289-W399 AromaticContact CD2-CD2 3.44Å; F289-W399 HydrophobicContact CD2-CD2 3.44Å; F289-W399 VanDerWaalsContact CD2-CD2 3.44Å; F289-W399 AromaticContact CD2-CE2 3.37Å; F289-W399 AromaticContact CD2-CE3 3.94Å; F289-W399 HydrophobicContact CD2-CE3 3.94Å; F289-W399 AromaticContact CD2-CG 3.78Å; F289-W399 HydrophobicContact CD2-CG 3.78Å; F289-W399 HydrophobicContact CD2-CH2 4.26Å; F289-W399 AromaticContact CD2-CZ2 3.81Å; F289-W399 HydrophobicContact CD2-CZ2 3.81Å; F289-W399 HydrophobicContact CD2-CZ3 4.33Å; F289-W399 AromaticContact CD2-NE1 3.64Å; F289-W399 HydrophobicContact CE2-CD2 4.23Å; F289-W399 AromaticContact CE2-CE2 3.78Å; F289-W399 HydrophobicContact CE2-CH2 4.14Å; F289-W399 AromaticContact CE2-CZ2 3.74Å; F289-W399 HydrophobicContact CE2-CZ2 3.74Å; F289-W399 AromaticContact CG-CD2 3.83Å; F289-W399 HydrophobicContact CG-CD2 3.83Å; F289-W399 AromaticContact CG-CE3 3.99Å; F289-W399 HydrophobicContact CG-CE3 3.99Å; F289-W399 HydrophobicContact CG-CG 4.11Å; F289-W399 HydrophobicContact CG-CZ3 4.5Å; W399-T401 VanDerWaalsContact C-N 3.32Å; W399-T401 PolarHBondContact O-N 2.99Å; W399-Y402 HydrophobicContact CE3-CD1 4.06Å; W399-Y402 AromaticContact CZ3-CD1 3.76Å; W399-Y402 HydrophobicContact CZ3-CD1 3.76Å; W399-Y402 HydrophobicContact CZ3-CE1 4.19Å; W399-Y402 PolarHBondContact O-N 3.26Å; W399-L403 HydrophobicContact CZ2-CD1 4.2Å; W399-L403 HydrophobicContact CZ2-CD2 4.37Å; W399-L403 WeakPolarHBondContact O-CB 3.38Å; W399-L403 PolarHBondContact O-N 3.08Å; W399-V422 HydrophobicContact CH2-CG1 3.67Å; W399-V422 HydrophobicContact CZ2-CG1 4.05Å; W399-K426 HydrophobicContact CH2-CB 3.76Å; W399-K426 HydrophobicContact CZ3-CB 4.05Å
400E97.5Very high96.7Very high130 Ų13055.1 Ų55.161%0.60729%0.289SS*.Hα-helixtrans-63.9-37.1-179.4-64-57.2143.700112.2P398 S404P398-E400 VanDerWaalsContact C-N 3.32Å; P398-E400 PolarHBondContact O-N 2.99Å; E400-S404 WeakPolarHBondContact O-CB 3.46Å; E400-S404 PolarHBondContact O-N 3.41Å; E400-S404 PolarHBondContact O-OG 2.88Å
401T98.1Very high96.4Very high71 Ų7158 Ų5844%0.43631%0.312SS..Hα-helixtrans-69.1-41.3174.7-54.90000111.1T397 P398 W399 S404 T405T397-T401 HydrophobicContact CG2-CG2 3.82Å; P398-T401 WeakPolarHBondContact O-CB 3.29Å; P398-T401 PolarHBondContact O-N 2.65Å; W399-T401 VanDerWaalsContact C-N 3.32Å; W399-T401 PolarHBondContact O-N 2.99Å; T401-S404 WeakPolarHBondContact CA-OG 3.38Å; T401-S404 PolarHBondContact O-OG 3.47Å; T401-T405 WeakPolarHBondContact O-CB 3.35Å; T401-T405 PolarHBondContact O-N 2.82Å; T401-T405 PolarHBondContact O-OG1 3.11Å
402Y97.1Very high96.3Very high23 Ų2364.4 Ų64.49%0.0935%0.346CS..Hα-helixtrans-63-46.3175.3-179.1-106.4000111.4L286 T394 P398 W399 T405 L406L286-Y402 HydrophobicContact CD1-CD1 3.49Å; L286-Y402 VanDerWaalsContact CD1-CD1 3.49Å; L286-Y402 HydrophobicContact CD1-CD2 4.48Å; L286-Y402 HydrophobicContact CD1-CE1 3.93Å; L286-Y402 HydrophobicContact CD1-CG 3.8Å; T394-Y402 HydrophobicContact CG2-CD2 4.4Å; T394-Y402 HydrophobicContact CG2-CE2 3.98Å; P398-Y402 PolarHBondContact O-N 3.03Å; W399-Y402 HydrophobicContact CE3-CD1 4.06Å; W399-Y402 AromaticContact CZ3-CD1 3.76Å; W399-Y402 HydrophobicContact CZ3-CD1 3.76Å; W399-Y402 HydrophobicContact CZ3-CE1 4.19Å; W399-Y402 PolarHBondContact O-N 3.26Å; Y402-T405 WeakPolarHBondContact O-CB 3.48Å; Y402-T405 PolarHBondContact O-N 3.17Å; Y402-L406 HydrophobicContact CD1-CD1 3.98Å; Y402-L406 HydrophobicContact CD1-CG 4.4Å; Y402-L406 HydrophobicContact CE1-CD1 3.41Å; Y402-L406 VanDerWaalsContact CE1-CD1 3.41Å; Y402-L406 HydrophobicContact CE1-CG 4.05Å; Y402-L406 HydrophobicContact CE2-CD2 4.49Å; Y402-L406 HydrophobicContact CE2-CG 4.46Å; Y402-L406 WeakPolarHBondContact O-CG 3.16Å; Y402-L406 PolarHBondContact O-N 2.94Å
403L96.4Very high96Very high44 Ų4462.6 Ų62.623%0.2334%0.339CS..Hα-helixtrans-63.5-44.7179.6-176.463.1000112.2W399 T405 L406 R407 F418 V422W399-L403 HydrophobicContact CZ2-CD1 4.2Å; W399-L403 HydrophobicContact CZ2-CD2 4.37Å; W399-L403 WeakPolarHBondContact O-CB 3.38Å; W399-L403 PolarHBondContact O-N 3.08Å; L403-T405 VanDerWaalsContact C-N 3.33Å; L403-L406 PolarHBondContact O-N 3.34Å; L403-R407 PolarHBondContact O-N 3.19Å; L403-F418 HydrophobicContact CD1-CE1 3.86Å; L403-F418 HydrophobicContact CD1-CZ 4.04Å; L403-V422 HydrophobicContact CD1-CG1 3.96Å; L403-V422 HydrophobicContact CD1-CG2 3.75Å
404S96.7Very high95.9Very high55 Ų5561.7 Ų61.739%0.38534%0.341SS..Hα-helixtrans-64.1-38.6175.855.50000112E400 T401 R407 N408E400-S404 WeakPolarHBondContact O-CB 3.46Å; E400-S404 PolarHBondContact O-N 3.41Å; E400-S404 PolarHBondContact O-OG 2.88Å; T401-S404 WeakPolarHBondContact CA-OG 3.38Å; T401-S404 PolarHBondContact O-OG 3.47Å; S404-R407 PolarHBondContact O-N 3.32Å; S404-N408 WeakPolarHBondContact O-CB 3.46Å; S404-N408 PolarHBondContact O-N 3.35Å; S404-N408 PolarHBondContact O-ND2 3.37Å
405T95.6Very high95.7Very high59 Ų5965.7 Ų65.736%0.36236%0.358SS..Hα-helixtrans-61.4-49.1173.4-57.80000111.2T401 Y402 L403 R407 N408 E409T401-T405 WeakPolarHBondContact O-CB 3.35Å; T401-T405 PolarHBondContact O-N 2.82Å; T401-T405 PolarHBondContact O-OG1 3.11Å; Y402-T405 WeakPolarHBondContact O-CB 3.48Å; Y402-T405 PolarHBondContact O-N 3.17Å; L403-T405 VanDerWaalsContact C-N 3.33Å; T405-R407 VanDerWaalsContact C-N 3.28Å; T405-R407 PolarHBondContact O-N 2.69Å; T405-N408 PolarHBondContact O-N 3.07Å; T405-E409 HydrophobicContact CG2-CG 4.47Å; T405-E409 WeakPolarHBondContact O-CG 3.3Å; T405-E409 PolarHBondContact O-N 3.38Å
406L95.1Very high95.4Very high10 Ų1073.3 Ų73.35%0.05239%0.394CS..Hα-helixtrans-57.9-40.7176.3-72-176.5000112.1Y402 L403 E409 N410 F418 F421 V422 K425Y402-L406 HydrophobicContact CD1-CD1 3.98Å; Y402-L406 HydrophobicContact CD1-CG 4.4Å; Y402-L406 HydrophobicContact CE1-CD1 3.41Å; Y402-L406 VanDerWaalsContact CE1-CD1 3.41Å; Y402-L406 HydrophobicContact CE1-CG 4.05Å; Y402-L406 HydrophobicContact CE2-CD2 4.49Å; Y402-L406 HydrophobicContact CE2-CG 4.46Å; Y402-L406 WeakPolarHBondContact O-CG 3.16Å; Y402-L406 PolarHBondContact O-N 2.94Å; L403-L406 PolarHBondContact O-N 3.34Å; L406-E409 PolarHBondContact O-N 3.16Å; L406-N410 WeakPolarHBondContact O-CB 3.39Å; L406-N410 PolarHBondContact O-N 3.16Å; L406-N410 PolarHBondContact O-ND2 3.13Å; L406-F418 HydrophobicContact CB-CE2 4.22Å; L406-F418 HydrophobicContact CB-CZ 4.19Å; L406-F421 HydrophobicContact CB-CE1 4.41Å; L406-F421 HydrophobicContact CD1-CE1 4.42Å; L406-F421 HydrophobicContact CD2-CE1 4.08Å; L406-F421 HydrophobicContact CD2-CZ 4.48Å; L406-V422 HydrophobicContact CD1-CG2 4.34Å; L406-K425 HydrophobicContact CD1-CB 4.41Å; L406-K425 HydrophobicContact CD1-CD 4.38Å; L406-K425 HydrophobicContact CD2-CD 4.19Å
407R95.4Very high95.2Very high81 Ų8176.7 Ų76.731%0.30640%0.401SS..Hα-helixtrans-63.4-44.8177.3-175.968.772167.19.8111.7L403 S404 T405 E409 N410 T411 E415 F418L403-R407 PolarHBondContact O-N 3.19Å; S404-R407 PolarHBondContact O-N 3.32Å; T405-R407 VanDerWaalsContact C-N 3.28Å; T405-R407 PolarHBondContact O-N 2.69Å; R407-E409 VanDerWaalsContact C-N 3.34Å; R407-N410 CarbonylContact O-C 3.31Å; R407-N410 PolarHBondContact O-N 2.65Å; R407-T411 PolarHBondContact O-N 3.41Å; R407-E415 IonicContact CZ-OE1 2.97Å; R407-E415 IonicContact CZ-OE2 2.81Å; R407-E415 VanDerWaalsContact CZ-OE2 3.26Å; R407-E415 IonicContact NH1-OE1 3.96Å; R407-E415 IonicContact NH1-OE2 3.86Å; R407-E415 PolarHBondContact NH1-OE2 2.58Å; R407-E415 VanDerWaalsContact NH2-CD 3.33Å; R407-E415 IonicContact NH2-OE1 3.41Å; R407-E415 PolarHBondContact NH2-OE1 3.19Å; R407-E415 IonicContact NH2-OE2 2.77Å; R407-E415 PolarHBondContact NH2-OE2 3.28Å; R407-F418 VanDerWaalsContact CA-CE2 3.47Å; R407-F418 HydrophobicContact CB-CE2 4.06Å; R407-F418 HydrophobicContact CB-CZ 3.77Å; R407-F418 HydrophobicContact CG-CZ 4.5Å; R407-F418 VanDerWaalsContact CZ-CG 3.48Å; R407-F418 VanDerWaalsContact NE-CE1 3.3Å; R407-F418 VanDerWaalsContact NH1-CD1 3.26Å; R407-F418 VanDerWaalsContact NH2-CE1 3.34Å
408N95.7Very high95.2Very high120 Ų12074.9 Ų74.964%0.64239%0.389SS*.Hα-helixtrans-67.6-34-179.8-69.3-18.5000112.4S404 T405 N410 T411S404-N408 WeakPolarHBondContact O-CB 3.46Å; S404-N408 PolarHBondContact O-N 3.35Å; S404-N408 PolarHBondContact O-ND2 3.37Å; T405-N408 PolarHBondContact O-N 3.07Å; N408-N410 VanDerWaalsContact C-N 3.31Å; N408-T411 WeakPolarHBondContact O-CG2 3.42Å
409E93.6Very high95Very high103 Ų10376.7 Ų76.748%0.48140%0.396SS..Hα-helixtrans-75.1-18.7175.9-69.4-173.3167.500113.1K375 T405 L406 R407K375-E409 VanDerWaalsContact NZ-CD 3.25Å; K375-E409 IonicContact NZ-OE1 3.05Å; K375-E409 PolarHBondContact NZ-OE1 3.34Å; K375-E409 IonicContact NZ-OE2 2.74Å; K375-E409 PolarHBondContact NZ-OE2 3.1Å; T405-E409 HydrophobicContact CG2-CG 4.47Å; T405-E409 WeakPolarHBondContact O-CG 3.3Å; T405-E409 PolarHBondContact O-N 3.38Å; L406-E409 PolarHBondContact O-N 3.16Å; R407-E409 VanDerWaalsContact C-N 3.34Å
410N93.6Very high94.6Very high35 Ų3578.9 Ų78.919%0.18742%0.415CS..THydrogen-bonded Turntrans-130.648-171.6-61.2-88.6000112.6L406 R407 N408 N412 L413L406-N410 WeakPolarHBondContact O-CB 3.39Å; L406-N410 PolarHBondContact O-N 3.16Å; L406-N410 PolarHBondContact O-ND2 3.13Å; R407-N410 CarbonylContact O-C 3.31Å; R407-N410 PolarHBondContact O-N 2.65Å; N408-N410 VanDerWaalsContact C-N 3.31Å; N410-N412 PolarHBondContact O-N 3.49Å; N410-N412 VanDerWaalsContact O-N 3.14Å; N410-L413 HydrophobicContact CB-CD1 3.78Å; N410-L413 HydrophobicContact CB-CG 4.07Å; N410-L413 PolarHBondContact O-N 3.39Å
411T92.6Very high94.3Very high121 Ų12175 Ų7574%0.74240%0.396SS*.THydrogen-bonded Turntrans-64.4-17.4-175.158.70000114.7R407 N408R407-T411 PolarHBondContact O-N 3.41Å; N408-T411 WeakPolarHBondContact O-CG2 3.42Å
412N94.3Very high94.1Very high135 Ų13572.3 Ų72.372%0.72238%0.379SS*.THydrogen-bonded Turntrans-84-9.4179.764.6-25.9000114.1N410N410-N412 PolarHBondContact O-N 3.49Å; N410-N412 VanDerWaalsContact O-N 3.14Å
413L92.9Very high93.8Very high48 Ų4872.9 Ų72.925%0.25139%0.393SS..SBendtrans-78.4134.4178.8-63.9-176.7000111N410 K417 F418 F421N410-L413 HydrophobicContact CB-CD1 3.78Å; N410-L413 HydrophobicContact CB-CG 4.07Å; N410-L413 PolarHBondContact O-N 3.39Å; L413-K417 HydrophobicContact CB-CB 4.35Å; L413-K417 HydrophobicContact CD2-CB 4.28Å; L413-F418 HydrophobicContact CB-CB 4.16Å; L413-F418 HydrophobicContact CD1-CD2 4.31Å; L413-F421 HydrophobicContact CD1-CB 4.21Å; L413-F421 HydrophobicContact CD1-CD1 4.34Å; L413-F421 HydrophobicContact CD1-CG 4.17Å
414S94Very high93.3Very high60 Ų6077.2 Ų77.242%0.4241%0.41SS..  trans-63.2158.8165.465.70000110.4E416 K417 F418S414-E416 VanDerWaalsContact C-N 3.27Å; S414-E416 PolarHBondContact O-N 3.45Å; S414-K417 PolarHBondContact O-N 2.6Å; S414-K417 VanDerWaalsContact O-N 3.08Å; S414-K417 WeakPolarHBondContact OG-CG 3.27Å; S414-K417 PolarHBondContact OG-N 3.12Å; S414-F418 WeakPolarHBondContact O-CB 3.46Å; S414-F418 PolarHBondContact O-N 3.38Å
415E93.3Very high93.2Very high102 Ų10275.4 Ų75.448%0.47740%0.395SS..Hα-helixtrans-56.4-41.4-178.2-167.456.5-150.900112.8R407 F418 N419R407-E415 IonicContact CZ-OE1 2.97Å; R407-E415 IonicContact CZ-OE2 2.81Å; R407-E415 VanDerWaalsContact CZ-OE2 3.26Å; R407-E415 IonicContact NH1-OE1 3.96Å; R407-E415 IonicContact NH1-OE2 3.86Å; R407-E415 PolarHBondContact NH1-OE2 2.58Å; R407-E415 VanDerWaalsContact NH2-CD 3.33Å; R407-E415 IonicContact NH2-OE1 3.41Å; R407-E415 PolarHBondContact NH2-OE1 3.19Å; R407-E415 IonicContact NH2-OE2 2.77Å; R407-E415 PolarHBondContact NH2-OE2 3.28Å; E415-F418 PolarHBondContact O-N 3.37Å; E415-N419 WeakPolarHBondContact O-CB 3.43Å; E415-N419 VanDerWaalsContact O-CG 3.29Å; E415-N419 PolarHBondContact O-N 3.13Å; E415-N419 PolarHBondContact O-ND2 2.99Å; E415-N419 VanDerWaalsContact O-ND2 3.12Å; E415-N419 PolarHBondContact OE1-ND2 3.09Å
416E91.9Very high93.2Very high162 Ų16276.1 Ų76.176%0.75739%0.393SS*.Hα-helixtrans-61.3-47.4175.6-173.5-172.8169.800112.3S414 F418 N419 S420S414-E416 VanDerWaalsContact C-N 3.27Å; S414-E416 PolarHBondContact O-N 3.45Å; E416-F418 VanDerWaalsContact C-N 3.34Å; E416-N419 PolarHBondContact O-N 3.04Å; E416-S420 PolarHBondContact O-N 2.88Å
417K93.2Very high93.3Very high137 Ų13776.8 Ų76.860%0.59640%0.397SS*.Hα-helixtrans-66.5-38.7179.1-73.8-178.3177.9-179.40111.5L413 S414 S420 F421L413-K417 HydrophobicContact CB-CB 4.35Å; L413-K417 HydrophobicContact CD2-CB 4.28Å; S414-K417 PolarHBondContact O-N 2.6Å; S414-K417 VanDerWaalsContact O-N 3.08Å; S414-K417 WeakPolarHBondContact OG-CG 3.27Å; S414-K417 PolarHBondContact OG-N 3.12Å; K417-S420 PolarHBondContact O-N 2.97Å; K417-F421 VanDerWaalsContact O-CB 3.26Å; K417-F421 WeakPolarHBondContact O-CB 3.28Å; K417-F421 PolarHBondContact O-N 3.19Å
418F95.2Very high93.4Very high1 Ų173 Ų730%0.00438%0.382CS..Hα-helixtrans-64.2-44.7176.4-175.2-96.7000111.4L403 L406 R407 L413 S414 E415 E416 S420 F421 V422L403-F418 HydrophobicContact CD1-CE1 3.86Å; L403-F418 HydrophobicContact CD1-CZ 4.04Å; L406-F418 HydrophobicContact CB-CE2 4.22Å; L406-F418 HydrophobicContact CB-CZ 4.19Å; R407-F418 VanDerWaalsContact CA-CE2 3.47Å; R407-F418 HydrophobicContact CB-CE2 4.06Å; R407-F418 HydrophobicContact CB-CZ 3.77Å; R407-F418 HydrophobicContact CG-CZ 4.5Å; R407-F418 VanDerWaalsContact CZ-CG 3.48Å; R407-F418 VanDerWaalsContact NE-CE1 3.3Å; R407-F418 VanDerWaalsContact NH1-CD1 3.26Å; R407-F418 VanDerWaalsContact NH2-CE1 3.34Å; L413-F418 HydrophobicContact CB-CB 4.16Å; L413-F418 HydrophobicContact CD1-CD2 4.31Å; S414-F418 WeakPolarHBondContact O-CB 3.46Å; S414-F418 PolarHBondContact O-N 3.38Å; E415-F418 PolarHBondContact O-N 3.37Å; E416-F418 VanDerWaalsContact C-N 3.34Å; F418-S420 VanDerWaalsContact C-N 3.33Å; F418-S420 PolarHBondContact O-N 3.14Å; F418-F421 HydrophobicContact CD2-CD1 4.43Å; F418-F421 HydrophobicContact CE2-CD1 4.45Å; F418-F421 WeakPolarHBondContact O-CB 3.4Å; F418-F421 PolarHBondContact O-N 3.39Å; F418-V422 HydrophobicContact CD1-CG2 3.81Å; F418-V422 HydrophobicContact CE1-CG2 3.37Å; F418-V422 HydrophobicContact CE2-CG2 4.11Å; F418-V422 HydrophobicContact CG-CG2 4.39Å; F418-V422 HydrophobicContact CZ-CG2 3.54Å; F418-V422 WeakPolarHBondContact O-CG2 3.26Å; F418-V422 PolarHBondContact O-N 3.21Å
419N93.8Very high93.5Very high91 Ų9167.4 Ų67.449%0.48735%0.353SS..Hα-helixtrans-62.9-39.6177-74.5-33.4000112.3E415 E416 G423E415-N419 WeakPolarHBondContact O-CB 3.43Å; E415-N419 VanDerWaalsContact O-CG 3.29Å; E415-N419 PolarHBondContact O-N 3.13Å; E415-N419 PolarHBondContact O-ND2 2.99Å; E415-N419 VanDerWaalsContact O-ND2 3.12Å; E415-N419 PolarHBondContact OE1-ND2 3.09Å; E416-N419 PolarHBondContact O-N 3.04Å; N419-G423 PolarHBondContact O-N 3.26Å
420S89.9Confident93.8Very high68 Ų6862.5 Ų62.548%0.47633%0.33SS..Hα-helixtrans-62-47172.1-173.70000111.6E416 K417 F418 G423 F424E416-S420 PolarHBondContact O-N 2.88Å; K417-S420 PolarHBondContact O-N 2.97Å; F418-S420 VanDerWaalsContact C-N 3.33Å; F418-S420 PolarHBondContact O-N 3.14Å; S420-G423 WeakPolarHBondContact O-CA 3.2Å; S420-G423 PolarHBondContact O-N 3.23Å; S420-G423 VanDerWaalsContact O-N 3.11Å; S420-F424 WeakPolarHBondContact O-CD2 3.49Å; S420-F424 PolarHBondContact O-N 2.71Å
421F91.7Very high94Very high49 Ų4961.6 Ų61.622%0.21532%0.324CS..Hα-helixtrans-58.5-48.5177.6172.7-101.4000112.7L406 L413 K417 F418 G423 F424 K425L406-F421 HydrophobicContact CB-CE1 4.41Å; L406-F421 HydrophobicContact CD1-CE1 4.42Å; L406-F421 HydrophobicContact CD2-CE1 4.08Å; L406-F421 HydrophobicContact CD2-CZ 4.48Å; L413-F421 HydrophobicContact CD1-CB 4.21Å; L413-F421 HydrophobicContact CD1-CD1 4.34Å; L413-F421 HydrophobicContact CD1-CG 4.17Å; K417-F421 VanDerWaalsContact O-CB 3.26Å; K417-F421 WeakPolarHBondContact O-CB 3.28Å; K417-F421 PolarHBondContact O-N 3.19Å; F418-F421 HydrophobicContact CD2-CD1 4.43Å; F418-F421 HydrophobicContact CE2-CD1 4.45Å; F418-F421 WeakPolarHBondContact O-CB 3.4Å; F418-F421 PolarHBondContact O-N 3.39Å; F421-G423 VanDerWaalsContact C-N 3.27Å; F421-G423 PolarHBondContact O-N 2.78Å; F421-F424 PolarHBondContact O-N 2.82Å; F421-K425 HydrophobicContact CD1-CD 4.48Å; F421-K425 HydrophobicContact CE1-CD 3.91Å; F421-K425 HydrophobicContact CE2-CD 3.97Å; F421-K425 HydrophobicContact CZ-CD 3.65Å; F421-K425 PolarHBondContact O-N 3.14Å
422V94.4Very high94.3Very high14 Ų1456 Ų569%0.08529%0.29CS..Hα-helixtrans-61-38.1174172.60000110.9W399 L403 L406 F418 F424 K425 K426W399-V422 HydrophobicContact CH2-CG1 3.67Å; W399-V422 HydrophobicContact CZ2-CG1 4.05Å; L403-V422 HydrophobicContact CD1-CG1 3.96Å; L403-V422 HydrophobicContact CD1-CG2 3.75Å; L406-V422 HydrophobicContact CD1-CG2 4.34Å; F418-V422 HydrophobicContact CD1-CG2 3.81Å; F418-V422 HydrophobicContact CE1-CG2 3.37Å; F418-V422 HydrophobicContact CE2-CG2 4.11Å; F418-V422 HydrophobicContact CG-CG2 4.39Å; F418-V422 HydrophobicContact CZ-CG2 3.54Å; F418-V422 WeakPolarHBondContact O-CG2 3.26Å; F418-V422 PolarHBondContact O-N 3.21Å; V422-F424 PolarHBondContact O-N 2.79Å; V422-K425 PolarHBondContact O-N 2.78Å; V422-K426 WeakPolarHBondContact O-CB 3.39Å; V422-K426 PolarHBondContact O-N 2.93Å
423G90.9Very high94.5Very high36 Ų3649.5 Ų49.537%0.37126%0.255SS..Hα-helixtrans-50.9-39175.100000113.9N419 S420 F421N419-G423 PolarHBondContact O-N 3.26Å; S420-G423 WeakPolarHBondContact O-CA 3.2Å; S420-G423 PolarHBondContact O-N 3.23Å; S420-G423 VanDerWaalsContact O-N 3.11Å; F421-G423 VanDerWaalsContact C-N 3.27Å; F421-G423 PolarHBondContact O-N 2.78Å
424F86.3Confident94.7Very high135 Ų13547.2 Ų47.259%0.59224%0.243SC*.Hα-helixtrans-78.1-27.7178-68.9-74.1000113.9S420 F421 V422 K431S420-F424 WeakPolarHBondContact O-CD2 3.49Å; S420-F424 PolarHBondContact O-N 2.71Å; F421-F424 PolarHBondContact O-N 2.82Å; V422-F424 PolarHBondContact O-N 2.79Å; F424-K431 PolarHBondContact O-NZ 3.49Å
425K94.4Very high94.9Very high16 Ų1644.4 Ų44.47%0.0722%0.224CC..Hα-helixtrans-98.2-19-172.9-65.9-174.4-178.9-72.90114.2E372 T373 L406 F421 V422 L427 I428E372-K425 IonicContact OE1-NZ 2.98Å; E372-K425 IonicContact OE2-NZ 3.55Å; E372-K425 PolarHBondContact OE2-NZ 2.99Å; T373-K425 HydrophobicContact CG2-CB 4.27Å; T373-K425 HydrophobicContact CG2-CD 3.96Å; T373-K425 HydrophobicContact CG2-CG 3.87Å; T373-K425 PolarHBondContact OG1-NZ 3.29Å; L406-K425 HydrophobicContact CD1-CB 4.41Å; L406-K425 HydrophobicContact CD1-CD 4.38Å; L406-K425 HydrophobicContact CD2-CD 4.19Å; F421-K425 HydrophobicContact CD1-CD 4.48Å; F421-K425 HydrophobicContact CE1-CD 3.91Å; F421-K425 HydrophobicContact CE2-CD 3.97Å; F421-K425 HydrophobicContact CZ-CD 3.65Å; F421-K425 PolarHBondContact O-N 3.14Å; V422-K425 PolarHBondContact O-N 2.78Å; K425-L427 PolarHBondContact O-N 3.2Å; K425-I428 VanDerWaalsContact O-CB 3.26Å; K425-I428 WeakPolarHBondContact O-CB 3.35Å; K425-I428 WeakPolarHBondContact O-CG2 3.29Å; K425-I428 PolarHBondContact O-N 3.32Å
426K94.9Very high95.2Very high74 Ų7439.7 Ų39.732%0.32220%0.201SC..THydrogen-bonded Turntrans-59-23.2-176.375.8-169.4-168.61660115.4F289 W399 V422F289-K426 HydrophobicContact CE1-CB 3.86Å; F289-K426 HydrophobicContact CE1-CD 4.28Å; F289-K426 HydrophobicContact CE1-CG 4.03Å; F289-K426 HydrophobicContact CZ-CB 3.81Å; F289-K426 HydrophobicContact CZ-CD 3.82Å; F289-K426 HydrophobicContact CZ-CG 4.02Å; W399-K426 HydrophobicContact CH2-CB 3.76Å; W399-K426 HydrophobicContact CZ3-CB 4.05Å; V422-K426 WeakPolarHBondContact O-CB 3.39Å; V422-K426 PolarHBondContact O-N 2.93Å
427L96.8Very high95.5Very high25 Ų2532 Ų3213%0.13117%0.165CC..THydrogen-bonded Turntrans-100.716.4178.7-57.3-175.6000112.8R256 L285 K425 C429 F430 K431R256-L427 HydrophobicContact CG-CD1 4.29Å; L285-L427 HydrophobicContact CD2-CD2 3.44Å; L285-L427 VanDerWaalsContact CD2-CD2 3.44Å; K425-L427 PolarHBondContact O-N 3.2Å; L427-C429 VanDerWaalsContact C-N 3.26Å; L427-C429 PolarHBondContact O-N 2.72Å; L427-C429 VanDerWaalsContact O-N 3.17Å; L427-F430 WeakPolarHBondContact O-CB 3.28Å; L427-F430 PolarHBondContact O-N 3.35Å; L427-F430 VanDerWaalsContact O-N 3.17Å; L427-K431 HydrophobicContact CB-CG 4.27Å; L427-K431 WeakPolarHBondContact O-CG 3.45Å; L427-K431 PolarHBondContact O-N 3.28Å
428I97.7Very high95.7Very high1 Ų125.4 Ų25.41%0.00514%0.137CC..Hα-helixtrans-54.1-39.6-170.7-175.556.8000113.5L286 T370 T373 L374 T394 K425 K431 A432L286-I428 HydrophobicContact CD1-CG2 4.33Å; T370-I428 HydrophobicContact CG2-CD1 4.03Å; T373-I428 HydrophobicContact CG2-CB 4.18Å; T373-I428 HydrophobicContact CG2-CD1 3.55Å; T373-I428 HydrophobicContact CG2-CG1 3.67Å; L374-I428 HydrophobicContact CD2-CD1 4.19Å; L374-I428 HydrophobicContact CD2-CG1 3.94Å; L374-I428 HydrophobicContact CG-CD1 4.26Å; T394-I428 HydrophobicContact CG2-CG2 3.95Å; K425-I428 VanDerWaalsContact O-CB 3.26Å; K425-I428 WeakPolarHBondContact O-CB 3.35Å; K425-I428 WeakPolarHBondContact O-CG2 3.29Å; K425-I428 PolarHBondContact O-N 3.32Å; I428-K431 PolarHBondContact O-N 3.46Å; I428-A432 HydrophobicContact CD1-CB 4.43Å; I428-A432 VanDerWaalsContact O-CB 3.31Å; I428-A432 WeakPolarHBondContact O-CB 3.22Å; I428-A432 PolarHBondContact O-N 3.14Å
429C98.3Very high95.8Very high2 Ų225.4 Ų25.41%0.01414%0.137CC..Hα-helixtrans-61.1-48.6179.3-70.70000112.9C284 C395 L427 S433C284-C429 CarbonylContact O-C 3.58Å; C284-C429 WeakPolarHBondContact O-CB 3.45Å; C395-C429 WeakPolarHBondContact CA-SG 3.36Å; C395-C429 HydrophobicContact CB-CB 4.11Å; C395-C429 WeakPolarHBondContact CB-SG 3.37Å; C395-C429 WeakPolarHBondContact SG-CA 3.4Å; C395-C429 WeakPolarHBondContact SG-CB 3.5Å; C395-C429 CovalentContact SG-SG 2.04Å; C395-C429 PolarHBondContact SG-SG 2.81Å; L427-C429 VanDerWaalsContact C-N 3.26Å; L427-C429 PolarHBondContact O-N 2.72Å; L427-C429 VanDerWaalsContact O-N 3.17Å; C429-S433 WeakPolarHBondContact O-CB 3.41Å; C429-S433 PolarHBondContact O-N 3.49Å; C429-S433 PolarHBondContact O-OG 2.94Å
430F98.5Very high96Very high1 Ų121.7 Ų21.70%0.00412%0.117CC..Hα-helixtrans-58.5-51.8170.2176.6-96.9000111.9M252 F255 R256 Y259 C284 V329 L427 A432 S433 Y434M252-F430 HydrophobicContact SD-CD1 4.12Å; M252-F430 HydrophobicContact SD-CE1 3.85Å; F255-F430 HydrophobicContact CD1-CE2 4.44Å; F255-F430 AromaticContact CD1-CZ 3.82Å; F255-F430 HydrophobicContact CD1-CZ 3.82Å; R256-F430 HydrophobicContact CB-CD1 4.15Å; R256-F430 HydrophobicContact CB-CE1 3.49Å; R256-F430 VanDerWaalsContact CB-CE1 3.49Å; R256-F430 HydrophobicContact CB-CZ 3.81Å; R256-F430 HydrophobicContact CG-CD1 4.41Å; R256-F430 HydrophobicContact CG-CE1 4.2Å; Y259-F430 AromaticContact CD1-CD2 3.92Å; Y259-F430 HydrophobicContact CD1-CD2 3.92Å; Y259-F430 AromaticContact CD1-CE2 3.78Å; Y259-F430 HydrophobicContact CD1-CE2 3.78Å; Y259-F430 HydrophobicContact CD2-CD2 4.44Å; Y259-F430 AromaticContact CD2-CE2 3.96Å; Y259-F430 HydrophobicContact CD2-CE2 3.96Å; Y259-F430 HydrophobicContact CE1-CD2 4.24Å; Y259-F430 HydrophobicContact CE1-CE2 4.49Å; Y259-F430 HydrophobicContact CG-CD2 4.04Å; Y259-F430 AromaticContact CG-CE2 3.48Å; Y259-F430 HydrophobicContact CG-CE2 3.48Å; Y259-F430 VanDerWaalsContact CG-CE2 3.48Å; Y259-F430 HydrophobicContact CG-CZ 4.46Å; C284-F430 HydrophobicContact CB-CB 3.76Å; C284-F430 HydrophobicContact CB-CD2 3.94Å; C284-F430 HydrophobicContact CB-CG 4.38Å; C284-F430 PolarHBondContact O-N 2.95Å; V329-F430 HydrophobicContact CG2-CE2 4.29Å; L427-F430 WeakPolarHBondContact O-CB 3.28Å; L427-F430 PolarHBondContact O-N 3.35Å; L427-F430 VanDerWaalsContact O-N 3.17Å; F430-A432 PolarHBondContact O-N 2.96Å; F430-S433 PolarHBondContact O-N 2.77Å; F430-Y434 VanDerWaalsContact O-CB 3.28Å; F430-Y434 WeakPolarHBondContact O-CB 3.38Å; F430-Y434 PolarHBondContact O-N 2.87Å
431K98.4Very high96.3Very high16 Ų1622.4 Ų22.47%0.0711%0.111CC..Hα-helixtrans-58.2-47.4-174.7-69.1-169.7165.8-1560111.9M252 E366 T370 F424 L427 I428 L435M252-K431 HydrophobicContact CE-CB 3.68Å; M252-K431 HydrophobicContact CE-CD 4.48Å; M252-K431 HydrophobicContact CE-CG 3.9Å; M252-K431 HydrophobicContact CG-CD 4.35Å; M252-K431 HydrophobicContact CG-CG 4Å; M252-K431 HydrophobicContact SD-CB 3.93Å; M252-K431 HydrophobicContact SD-CG 3.63Å; E366-K431 IonicContact OE1-NZ 3.36Å; E366-K431 PolarHBondContact OE1-NZ 3.3Å; E366-K431 VanDerWaalsContact OE1-NZ 3.16Å; E366-K431 WeakPolarHBondContact OE2-CD 3.37Å; E366-K431 WeakPolarHBondContact OE2-CE 3.31Å; E366-K431 IonicContact OE2-NZ 3.26Å; E366-K431 PolarHBondContact OE2-NZ 3Å; T370-K431 HydrophobicContact CG2-CB 3.99Å; F424-K431 PolarHBondContact O-NZ 3.49Å; L427-K431 HydrophobicContact CB-CG 4.27Å; L427-K431 WeakPolarHBondContact O-CG 3.45Å; L427-K431 PolarHBondContact O-N 3.28Å; I428-K431 PolarHBondContact O-N 3.46Å; K431-L435 VanDerWaalsContact O-CB 3.25Å; K431-L435 WeakPolarHBondContact O-CB 3.48Å; K431-L435 PolarHBondContact O-N 3.12Å
432A98.5Very high96.5Very high2 Ų220.1 Ų20.12%0.01710%0.101CC..Hα-helixtrans-72.2-41.4-177.900000112.5T370 L374 I391 I428 F430 Y434 L435 V436T370-A432 VanDerWaalsContact CG2-CA 3.45Å; T370-A432 HydrophobicContact CG2-CB 3.72Å; L374-A432 HydrophobicContact CD1-CB 3.88Å; I391-A432 HydrophobicContact CD1-CB 3.64Å; I391-A432 HydrophobicContact CG1-CB 3.57Å; I391-A432 HydrophobicContact CG2-CB 4.39Å; I428-A432 HydrophobicContact CD1-CB 4.43Å; I428-A432 VanDerWaalsContact O-CB 3.31Å; I428-A432 WeakPolarHBondContact O-CB 3.22Å; I428-A432 PolarHBondContact O-N 3.14Å; F430-A432 PolarHBondContact O-N 2.96Å; A432-Y434 VanDerWaalsContact C-N 3.32Å; A432-Y434 PolarHBondContact O-N 2.98Å; A432-L435 PolarHBondContact O-N 3.05Å; A432-V436 WeakPolarHBondContact O-CG2 3.25Å; A432-V436 PolarHBondContact O-N 3Å
433S98.4Very high96.6Very high0 Ų019.4 Ų19.40%010%0.097CC..Hα-helixtrans-63-41.9175.8-58.70000111.4C325 M326 C429 F430 S437C325-S433 WeakPolarHBondContact SG-CB 3.19Å; C325-S433 PolarHBondContact SG-OG 2.78Å; M326-S433 WeakPolarHBondContact SD-CA 3.47Å; M326-S433 WeakPolarHBondContact SD-CB 3.49Å; C429-S433 WeakPolarHBondContact O-CB 3.41Å; C429-S433 PolarHBondContact O-N 3.49Å; C429-S433 PolarHBondContact O-OG 2.94Å; F430-S433 PolarHBondContact O-N 2.77Å; S433-S437 VanDerWaalsContact O-CB 3.29Å; S433-S437 WeakPolarHBondContact O-CB 3.27Å; S433-S437 PolarHBondContact O-N 2.87Å; S433-S437 PolarHBondContact O-OG 2.97Å
434Y98.5Very high96.8Very high0 Ų021.4 Ų21.40%010%0.096CC..Hα-helixtrans-64.9-48.5173.8175.7-129.6000112.5M202 Y250 M252 F255 V329 L333 F430 A432 V436 S437 A438M202-Y434 HydrophobicContact CE-CD1 4.38Å; M202-Y434 HydrophobicContact CE-CE1 3.85Å; M202-Y434 HydrophobicContact SD-CD1 4.09Å; M202-Y434 HydrophobicContact SD-CE1 3.71Å; Y250-Y434 WeakPolarHBondContact CB-OH 3.37Å; Y250-Y434 PolarHBondContact O-OH 2.77Å; M252-Y434 HydrophobicContact CE-CD1 4.01Å; M252-Y434 HydrophobicContact SD-CD1 3.74Å; M252-Y434 HydrophobicContact SD-CE1 4.49Å; F255-Y434 HydrophobicContact CB-CD1 4.22Å; F255-Y434 HydrophobicContact CB-CE1 3.7Å; F255-Y434 HydrophobicContact CB-CE2 4.34Å; F255-Y434 AromaticContact CD1-CD1 3.91Å; F255-Y434 HydrophobicContact CD1-CD1 3.91Å; F255-Y434 AromaticContact CD1-CD2 3.28Å; F255-Y434 HydrophobicContact CD1-CD2 3.28Å; F255-Y434 AromaticContact CD1-CE1 3.95Å; F255-Y434 HydrophobicContact CD1-CE1 3.95Å; F255-Y434 AromaticContact CD1-CE2 3.34Å; F255-Y434 HydrophobicContact CD1-CE2 3.34Å; F255-Y434 AromaticContact CD1-CG 3.58Å; F255-Y434 HydrophobicContact CD1-CG 3.58Å; F255-Y434 AromaticContact CD1-CZ 3.68Å; F255-Y434 HydrophobicContact CD2-CD2 4.37Å; F255-Y434 HydrophobicContact CD2-CE1 4.38Å; F255-Y434 AromaticContact CD2-CE2 3.58Å; F255-Y434 HydrophobicContact CD2-CE2 3.58Å; F255-Y434 AromaticContact CD2-CZ 3.59Å; F255-Y434 AromaticContact CE1-CD2 3.19Å; F255-Y434 HydrophobicContact CE1-CD2 3.19Å; F255-Y434 AromaticContact CE1-CE2 3.35Å; F255-Y434 HydrophobicContact CE1-CE2 3.35Å; F255-Y434 AromaticContact CE1-CG 3.9Å; F255-Y434 HydrophobicContact CE1-CG 3.9Å; F255-Y434 HydrophobicContact CE2-CD2 4.27Å; F255-Y434 AromaticContact CE2-CE2 3.55Å; F255-Y434 HydrophobicContact CE2-CE2 3.55Å; F255-Y434 HydrophobicContact CG-CD1 4.18Å; F255-Y434 AromaticContact CG-CD2 3.91Å; F255-Y434 HydrophobicContact CG-CD2 3.91Å; F255-Y434 AromaticContact CG-CE1 3.75Å; F255-Y434 HydrophobicContact CG-CE1 3.75Å; F255-Y434 AromaticContact CG-CE2 3.47Å; F255-Y434 HydrophobicContact CG-CE2 3.47Å; F255-Y434 VanDerWaalsContact CG-CE2 3.47Å; F255-Y434 HydrophobicContact CG-CG 4.25Å; F255-Y434 AromaticContact CG-CZ 3.38Å; F255-Y434 AromaticContact CZ-CD2 3.7Å; F255-Y434 HydrophobicContact CZ-CD2 3.7Å; F255-Y434 AromaticContact CZ-CE2 3.42Å; F255-Y434 HydrophobicContact CZ-CE2 3.42Å; F255-Y434 VanDerWaalsContact CZ-CE2 3.42Å; V329-Y434 HydrophobicContact CG1-CD2 4.03Å; L333-Y434 HydrophobicContact CD2-CE2 3.9Å; F430-Y434 VanDerWaalsContact O-CB 3.28Å; F430-Y434 WeakPolarHBondContact O-CB 3.38Å; F430-Y434 PolarHBondContact O-N 2.87Å; A432-Y434 VanDerWaalsContact C-N 3.32Å; A432-Y434 PolarHBondContact O-N 2.98Å; Y434-V436 PolarHBondContact O-N 2.99Å; Y434-S437 PolarHBondContact O-N 3.19Å; Y434-A438 HydrophobicContact CD2-CB 4.19Å; Y434-A438 HydrophobicContact CE2-CB 3.74Å; Y434-A438 VanDerWaalsContact O-CB 3.25Å; Y434-A438 WeakPolarHBondContact O-CB 3.18Å; Y434-A438 PolarHBondContact O-N 2.93Å
435L98.5Very high97.3Very high1 Ų115 Ų151%0.0057%0.069CC..Hα-helixtrans-54.4-51.4178.9-179.3164.6000111.1F367 T370 L371 K431 A432 S437 A438 F439F367-L435 HydrophobicContact CD1-CD1 4.2Å; F367-L435 HydrophobicContact CD1-CD2 4.31Å; F367-L435 HydrophobicContact CD1-CG 4.07Å; F367-L435 HydrophobicContact CE1-CD2 4.48Å; F367-L435 HydrophobicContact CE1-CG 4.29Å; T370-L435 HydrophobicContact CG2-CB 4.4Å; T370-L435 HydrophobicContact CG2-CD1 3.77Å; L371-L435 HydrophobicContact CG-CD1 4.23Å; K431-L435 VanDerWaalsContact O-CB 3.25Å; K431-L435 WeakPolarHBondContact O-CB 3.48Å; K431-L435 PolarHBondContact O-N 3.12Å; A432-L435 PolarHBondContact O-N 3.05Å; L435-S437 PolarHBondContact O-N 3.29Å; L435-A438 PolarHBondContact O-N 2.9Å; L435-F439 VanDerWaalsContact O-CB 3.22Å; L435-F439 WeakPolarHBondContact O-CB 3.28Å; L435-F439 PolarHBondContact O-N 3.26Å
436V98.1Very high97.5Very high2 Ų216.2 Ų16.21%0.0128%0.078CC..Hα-helixtrans-64.3-42-178.7173.80000111.4M326 Y384 V387 L388 I391 A432 Y434 F439 H440M326-V436 HydrophobicContact CE-CB 4.48Å; M326-V436 HydrophobicContact CE-CG1 4.17Å; Y384-V436 HydrophobicContact CD2-CG1 4.12Å; Y384-V436 HydrophobicContact CE2-CG1 3.6Å; V387-V436 HydrophobicContact CG1-CG2 3.48Å; V387-V436 VanDerWaalsContact CG1-CG2 3.48Å; L388-V436 HydrophobicContact CD2-CG1 3.95Å; I391-V436 HydrophobicContact CD1-CG2 3.7Å; A432-V436 WeakPolarHBondContact O-CG2 3.25Å; A432-V436 PolarHBondContact O-N 3Å; Y434-V436 PolarHBondContact O-N 2.99Å; V436-F439 PolarHBondContact O-N 3.09Å; V436-H440 PolarHBondContact O-N 3.47Å
437S98.1Very high97.6Very high0 Ų016.6 Ų16.60%09%0.086CC..Iπ-helixtrans-64.4-47.3177-60.10000111.6M326 L333 S433 Y434 L435 F439 K441 G442M326-S437 WeakPolarHBondContact CE-OG 3.42Å; M326-S437 PolarHBondContact SD-OG 3.45Å; M326-S437 VanDerWaalsContact SD-OG 3.33Å; L333-S437 WeakPolarHBondContact CD1-O 3.25Å; S433-S437 VanDerWaalsContact O-CB 3.29Å; S433-S437 WeakPolarHBondContact O-CB 3.27Å; S433-S437 PolarHBondContact O-N 2.87Å; S433-S437 PolarHBondContact O-OG 2.97Å; Y434-S437 PolarHBondContact O-N 3.19Å; L435-S437 PolarHBondContact O-N 3.29Å; S437-F439 VanDerWaalsContact C-N 3.34Å; S437-F439 PolarHBondContact O-N 3.28Å; S437-K441 CarbonylContact O-C 3.54Å; S437-K441 WeakPolarHBondContact O-CA 3.3Å; S437-K441 VanDerWaalsContact O-CB 3.31Å; S437-K441 WeakPolarHBondContact O-CB 3.4Å; S437-K441 PolarHBondContact O-N 3.37Å; S437-G442 PolarHBondContact O-N 3.15Å
438A98.1Very high97.6Very high0 Ų021.6 Ų21.60%011%0.113CC..Iπ-helixtrans-62.4-41.7178.300000111.5M202 M207 L333 I346 Y434 L435 G442 L443M202-A438 HydrophobicContact CE-CB 4.14Å; M207-A438 HydrophobicContact SD-CB 4.39Å; L333-A438 HydrophobicContact CD2-CB 4.35Å; I346-A438 HydrophobicContact CD1-CB 4.39Å; Y434-A438 HydrophobicContact CD2-CB 4.19Å; Y434-A438 HydrophobicContact CE2-CB 3.74Å; Y434-A438 VanDerWaalsContact O-CB 3.25Å; Y434-A438 WeakPolarHBondContact O-CB 3.18Å; Y434-A438 PolarHBondContact O-N 2.93Å; L435-A438 PolarHBondContact O-N 2.9Å; A438-G442 CarbonylContact O-C 3.37Å; A438-G442 WeakPolarHBondContact O-CA 3.26Å; A438-G442 PolarHBondContact O-N 2.82Å; A438-L443 WeakPolarHBondContact O-CG 3.36Å; A438-L443 PolarHBondContact O-N 3.16Å
439F98.2Very high97.6Very high0 Ų022 Ų220%012%0.115CC..Iπ-helixtrans-72.2-54-177.3-175.7-125.2000112.8L200 F367 Y382 L435 V436 S437 L443 F445 Y449 L452L200-F439 HydrophobicContact CD1-CD2 3.89Å; L200-F439 HydrophobicContact CD1-CE2 3.56Å; F367-F439 HydrophobicContact CE1-CB 4.33Å; F367-F439 HydrophobicContact CE1-CD2 4.18Å; F367-F439 HydrophobicContact CE1-CG 4.4Å; Y382-F439 HydrophobicContact CE1-CD1 4.33Å; Y382-F439 AromaticContact CE1-CE1 3.84Å; Y382-F439 HydrophobicContact CE1-CE1 3.84Å; Y382-F439 AromaticContact CZ-CE1 3.97Å; L435-F439 VanDerWaalsContact O-CB 3.22Å; L435-F439 WeakPolarHBondContact O-CB 3.28Å; L435-F439 PolarHBondContact O-N 3.26Å; V436-F439 PolarHBondContact O-N 3.09Å; S437-F439 VanDerWaalsContact C-N 3.34Å; S437-F439 PolarHBondContact O-N 3.28Å; F439-L443 WeakPolarHBondContact O-CB 3.34Å; F439-F445 HydrophobicContact CD1-CB 4.33Å; F439-F445 HydrophobicContact CD2-CB 4.17Å; F439-F445 HydrophobicContact CD2-CD1 4.43Å; F439-F445 AromaticContact CD2-CD2 3.78Å; F439-F445 HydrophobicContact CD2-CD2 3.78Å; F439-F445 HydrophobicContact CD2-CE2 4.28Å; F439-F445 AromaticContact CD2-CG 3.85Å; F439-F445 HydrophobicContact CD2-CG 3.85Å; F439-F445 HydrophobicContact CE1-CB 3.98Å; F439-F445 HydrophobicContact CE1-CD1 4.4Å; F439-F445 HydrophobicContact CE1-CG 4.25Å; F439-F445 HydrophobicContact CE2-CB 3.8Å; F439-F445 AromaticContact CE2-CD1 3.39Å; F439-F445 HydrophobicContact CE2-CD1 3.39Å; F439-F445 AromaticContact CE2-CD2 3.47Å; F439-F445 HydrophobicContact CE2-CD2 3.47Å; F439-F445 VanDerWaalsContact CE2-CD2 3.47Å; F439-F445 AromaticContact CE2-CE1 3.74Å; F439-F445 HydrophobicContact CE2-CE1 3.74Å; F439-F445 AromaticContact CE2-CE2 3.83Å; F439-F445 HydrophobicContact CE2-CE2 3.83Å; F439-F445 AromaticContact CE2-CG 3.23Å; F439-F445 HydrophobicContact CE2-CG 3.23Å; F439-F445 AromaticContact CE2-CZ 3.95Å; F439-F445 HydrophobicContact CE2-CZ 3.95Å; F439-F445 HydrophobicContact CG-CB 4.42Å; F439-F445 HydrophobicContact CZ-CB 3.69Å; F439-F445 AromaticContact CZ-CD1 3.37Å; F439-F445 HydrophobicContact CZ-CD1 3.37Å; F439-F445 HydrophobicContact CZ-CD2 4.19Å; F439-F445 HydrophobicContact CZ-CE1 4.01Å; F439-F445 AromaticContact CZ-CG 3.47Å; F439-F445 HydrophobicContact CZ-CG 3.47Å; F439-F445 VanDerWaalsContact CZ-CG 3.47Å; F439-F445 PolarHBondContact O-N 2.74Å; F439-Y449 HydrophobicContact CE1-CD1 4.29Å; F439-Y449 AromaticContact CZ-CD1 3.77Å; F439-Y449 HydrophobicContact CZ-CD1 3.77Å; F439-Y449 AromaticContact CZ-CE1 3.95Å; F439-Y449 HydrophobicContact CZ-CE1 3.95Å; F439-L452 HydrophobicContact CD1-CD2 4.13Å; F439-L452 HydrophobicContact CE1-CB 4.2Å; F439-L452 HydrophobicContact CE1-CD2 3.79Å; F439-L452 HydrophobicContact CE2-CD1 4.34Å; F439-L452 HydrophobicContact CE2-CD2 4.41Å; F439-L452 HydrophobicContact CZ-CB 3.92Å; F439-L452 HydrophobicContact CZ-CD1 4.28Å; F439-L452 HydrophobicContact CZ-CD2 3.94Å; F439-L452 HydrophobicContact CZ-CG 4.27Å
440H97.5Very high97.5Very high14 Ų1425.9 Ų25.97%0.06513%0.133CC..Iπ-helixtrans-86.9-42-173.9-72.6-71.3000113.8Y382 Y384 V436 H444 F445 P446Y382-H440 AromaticContact CE1-NE2 3.51Å; Y382-H440 AromaticContact CZ-NE2 3.53Å; Y382-H440 PolarHBondContact OH-CD2 2.9Å; Y382-H440 PolarHBondContact OH-NE2 2.94Å; Y384-H440 AromaticContact CD2-CD2 3.34Å; Y384-H440 WeakPolarHBondContact CD2-CD2 3.39Å; Y384-H440 AromaticContact CD2-CG 3.96Å; Y384-H440 AromaticContact CD2-NE2 3.38Å; Y384-H440 WeakPolarHBondContact CD2-NE2 3.35Å; Y384-H440 HydrophobicContact CE2-CB 4.47Å; Y384-H440 AromaticContact CE2-CD2 3.69Å; V436-H440 PolarHBondContact O-N 3.47Å; H440-H444 WeakPolarHBondContact O-CA 3.28Å; H440-H444 PolarHBondContact O-N 3.21Å; H440-F445 WeakPolarHBondContact CA-O 3.45Å; H440-F445 PolarHBondContact ND1-O 3.26Å; H440-P446 PolarHBondContact CE1-O 3.36Å; H440-P446 VanDerWaalsContact CE1-O 3.24Å; H440-P446 PolarHBondContact ND1-O 3.23Å
441K95.6Very high97.4Very high83 Ų8326.5 Ų26.536%0.36114%0.14SC..Iπ-helixtrans-88.4-41.2179.8-62.8-176168.8-173.30111.6E330 L333 L335 S437 H444E330-K441 HydrophobicContact CG-CD 3.85Å; E330-K441 IonicContact OE1-NZ 2.58Å; E330-K441 PolarHBondContact OE1-NZ 3.19Å; E330-K441 IonicContact OE2-NZ 3.67Å; E330-K441 PolarHBondContact OE2-NZ 2.82Å; L333-K441 HydrophobicContact CD1-CB 4.3Å; L335-K441 HydrophobicContact CD1-CB 4.45Å; L335-K441 WeakPolarHBondContact CD1-O 3.42Å; S437-K441 CarbonylContact O-C 3.54Å; S437-K441 WeakPolarHBondContact O-CA 3.3Å; S437-K441 VanDerWaalsContact O-CB 3.31Å; S437-K441 WeakPolarHBondContact O-CB 3.4Å; S437-K441 PolarHBondContact O-N 3.37Å; K441-H444 PolarHBondContact O-NE2 3.49Å
442G96.4Very high97.4Very high0 Ų026 Ų260%014%0.137CC..Iπ-helixtrans-74.7-50.2-177.400000113.6A345 I346 S437 A438A345-G442 CarbonylContact C-O 3.24Å; A345-G442 WeakPolarHBondContact CA-O 3.42Å; A345-G442 WeakPolarHBondContact CB-O 3.42Å; I346-G442 VanDerWaalsContact CG1-CA 3.41Å; I346-G442 PolarHBondContact N-O 3.37Å; S437-G442 PolarHBondContact O-N 3.15Å; A438-G442 CarbonylContact O-C 3.37Å; A438-G442 WeakPolarHBondContact O-CA 3.26Å; A438-G442 PolarHBondContact O-N 2.82Å
443L97Very high97.4Very high0 Ų027.7 Ų27.70%015%0.146CC..SBendtrans-98.86.6-177.4-60.8174.6000112.7L200 M207 I209 Y247 A345 I346 Q351 A438 F439 F445L200-L443 HydrophobicContact CD2-CD1 3.62Å; M207-L443 HydrophobicContact CE-CD1 3.87Å; M207-L443 HydrophobicContact CE-CD2 4.02Å; M207-L443 HydrophobicContact CE-CG 4.06Å; M207-L443 HydrophobicContact SD-CD1 4.23Å; I209-L443 HydrophobicContact CD1-CD1 4.47Å; Y247-L443 HydrophobicContact CE2-CD2 3.71Å; A345-L443 HydrophobicContact CB-CD2 4.46Å; I346-L443 HydrophobicContact CD1-CD2 4.35Å; I346-L443 HydrophobicContact CD1-CG 4.47Å; Q351-L443 PolarHBondContact NE2-O 3.15Å; A438-L443 WeakPolarHBondContact O-CG 3.36Å; A438-L443 PolarHBondContact O-N 3.16Å; F439-L443 WeakPolarHBondContact O-CB 3.34Å; L443-F445 HydrophobicContact CB-CD2 3.79Å; L443-F445 HydrophobicContact CB-CE2 4Å; L443-F445 PolarHBondContact O-N 2.94Å; L443-F445 VanDerWaalsContact O-N 3.16Å
444H94.4Very high97.4Very high77 Ų7727.8 Ų27.836%0.35615%0.147SC..  trans58.324.3176.2-71-86.2000115.9C344 H440 K441 P446C344-H444 PolarHBondContact O-CD2 3.19Å; C344-H444 PolarHBondContact O-NE2 2.98Å; H440-H444 WeakPolarHBondContact O-CA 3.28Å; H440-H444 PolarHBondContact O-N 3.21Å; K441-H444 PolarHBondContact O-NE2 3.49Å; H444-P446 WeakPolarHBondContact O-CD 3.35Å
445F97.4Very high97.3Very high2 Ų228.8 Ų28.81%0.00915%0.153CC..  trans-65.3126.1170.4-80-104.4000109.7L200 I209 P354 F356 F361 F439 H440 L443 Y449L200-F445 HydrophobicContact CD1-CZ 4.36Å; I209-F445 HydrophobicContact CD1-CE2 3.97Å; I209-F445 HydrophobicContact CD1-CZ 4.31Å; P354-F445 HydrophobicContact CG-CZ 4.48Å; F356-F445 AromaticContact CD1-CD1 3.94Å; F356-F445 HydrophobicContact CD1-CD1 3.94Å; F356-F445 HydrophobicContact CD1-CE1 4.16Å; F356-F445 HydrophobicContact CE1-CB 4.39Å; F356-F445 AromaticContact CE1-CD1 3.53Å; F356-F445 HydrophobicContact CE1-CD1 3.53Å; F356-F445 HydrophobicContact CE1-CD2 4.37Å; F356-F445 AromaticContact CE1-CE1 3.79Å; F356-F445 HydrophobicContact CE1-CE1 3.79Å; F356-F445 AromaticContact CE1-CG 3.87Å; F356-F445 HydrophobicContact CE1-CG 3.87Å; F356-F445 HydrophobicContact CE1-CZ 4.3Å; F361-F445 HydrophobicContact CB-CE1 4.47Å; F361-F445 HydrophobicContact CD1-CE1 4.46Å; F361-F445 AromaticContact CD1-CZ 3.94Å; F361-F445 HydrophobicContact CD1-CZ 3.94Å; F361-F445 AromaticContact CD2-CE1 3.54Å; F361-F445 HydrophobicContact CD2-CE1 3.54Å; F361-F445 AromaticContact CD2-CZ 3.75Å; F361-F445 HydrophobicContact CD2-CZ 3.75Å; F361-F445 AromaticContact CE1-CZ 3.87Å; F361-F445 HydrophobicContact CE1-CZ 3.87Å; F361-F445 AromaticContact CE2-CE1 3.75Å; F361-F445 HydrophobicContact CE2-CE1 3.75Å; F361-F445 AromaticContact CE2-CZ 3.69Å; F361-F445 HydrophobicContact CE2-CZ 3.69Å; F361-F445 AromaticContact CG-CE1 3.9Å; F361-F445 HydrophobicContact CG-CE1 3.9Å; F361-F445 AromaticContact CG-CZ 3.85Å; F361-F445 HydrophobicContact CG-CZ 3.85Å; F361-F445 HydrophobicContact CZ-CE1 4.28Å; F361-F445 AromaticContact CZ-CZ 3.74Å; F361-F445 HydrophobicContact CZ-CZ 3.74Å; F439-F445 HydrophobicContact CD1-CB 4.33Å; F439-F445 HydrophobicContact CD2-CB 4.17Å; F439-F445 HydrophobicContact CD2-CD1 4.43Å; F439-F445 AromaticContact CD2-CD2 3.78Å; F439-F445 HydrophobicContact CD2-CD2 3.78Å; F439-F445 HydrophobicContact CD2-CE2 4.28Å; F439-F445 AromaticContact CD2-CG 3.85Å; F439-F445 HydrophobicContact CD2-CG 3.85Å; F439-F445 HydrophobicContact CE1-CB 3.98Å; F439-F445 HydrophobicContact CE1-CD1 4.4Å; F439-F445 HydrophobicContact CE1-CG 4.25Å; F439-F445 HydrophobicContact CE2-CB 3.8Å; F439-F445 AromaticContact CE2-CD1 3.39Å; F439-F445 HydrophobicContact CE2-CD1 3.39Å; F439-F445 AromaticContact CE2-CD2 3.47Å; F439-F445 HydrophobicContact CE2-CD2 3.47Å; F439-F445 VanDerWaalsContact CE2-CD2 3.47Å; F439-F445 AromaticContact CE2-CE1 3.74Å; F439-F445 HydrophobicContact CE2-CE1 3.74Å; F439-F445 AromaticContact CE2-CE2 3.83Å; F439-F445 HydrophobicContact CE2-CE2 3.83Å; F439-F445 AromaticContact CE2-CG 3.23Å; F439-F445 HydrophobicContact CE2-CG 3.23Å; F439-F445 AromaticContact CE2-CZ 3.95Å; F439-F445 HydrophobicContact CE2-CZ 3.95Å; F439-F445 HydrophobicContact CG-CB 4.42Å; F439-F445 HydrophobicContact CZ-CB 3.69Å; F439-F445 AromaticContact CZ-CD1 3.37Å; F439-F445 HydrophobicContact CZ-CD1 3.37Å; F439-F445 HydrophobicContact CZ-CD2 4.19Å; F439-F445 HydrophobicContact CZ-CE1 4.01Å; F439-F445 AromaticContact CZ-CG 3.47Å; F439-F445 HydrophobicContact CZ-CG 3.47Å; F439-F445 VanDerWaalsContact CZ-CG 3.47Å; F439-F445 PolarHBondContact O-N 2.74Å; H440-F445 WeakPolarHBondContact CA-O 3.45Å; H440-F445 PolarHBondContact ND1-O 3.26Å; L443-F445 HydrophobicContact CB-CD2 3.79Å; L443-F445 HydrophobicContact CB-CE2 4Å; L443-F445 PolarHBondContact O-N 2.94Å; L443-F445 VanDerWaalsContact O-N 3.16Å; F445-Y449 AromaticContact CD1-CD1 3.54Å; F445-Y449 HydrophobicContact CD1-CD1 3.54Å; F445-Y449 AromaticContact CD1-CE1 3.61Å; F445-Y449 HydrophobicContact CD1-CE1 3.61Å; F445-Y449 HydrophobicContact CD1-CG 4Å; F445-Y449 HydrophobicContact CE1-CD1 4.2Å; F445-Y449 AromaticContact CE1-CE1 3.78Å; F445-Y449 HydrophobicContact CE1-CE1 3.78Å
446P97.4Very high97.1Very high41 Ų4130.4 Ų30.427%0.26616%0.161SC..  trans-56.9149.1178.7-26.935.2000112.2F356 H440 H444 N448 Y449F356-P446 HydrophobicContact CD1-CG 4.43Å; F356-P446 HydrophobicContact CD2-CG 3.94Å; F356-P446 HydrophobicContact CE2-CG 4.05Å; F356-P446 HydrophobicContact CG-CG 4.13Å; F356-P446 HydrophobicContact CZ-CG 4.35Å; H440-P446 PolarHBondContact CE1-O 3.36Å; H440-P446 VanDerWaalsContact CE1-O 3.24Å; H440-P446 PolarHBondContact ND1-O 3.23Å; H444-P446 WeakPolarHBondContact O-CD 3.35Å; P446-N448 WeakPolarHBondContact CB-OD1 3.4Å; P446-N448 PolarHBondContact O-N 2.86Å; P446-Y449 WeakPolarHBondContact O-CB 3.22Å; P446-Y449 PolarHBondContact O-N 2.71Å
447T97.6Very high96.9Very high81 Ų8135.6 Ų35.650%0.49719%0.186SC..THydrogen-bonded Turntrans-69.3-18179.6510000113.3Y384Y384-T447 WeakPolarHBondContact CB-O 3.48Å; Y384-T447 HydrophobicContact CD1-CG2 3.76Å; Y384-T447 HydrophobicContact CD2-CG2 4.3Å; Y384-T447 HydrophobicContact CE1-CG2 3.62Å; Y384-T447 HydrophobicContact CE2-CG2 4.16Å; Y384-T447 HydrophobicContact CG-CG2 4.08Å
448N96.9Very high96.6Very high131 Ų13136.2 Ų36.270%0.70119%0.188SC*.THydrogen-bonded Turntrans-89.83.1170.967.2-36.2000113.4P446 E450P446-N448 WeakPolarHBondContact CB-OD1 3.4Å; P446-N448 PolarHBondContact O-N 2.86Å; N448-E450 PolarHBondContact O-N 3.04Å
449Y97.7Very high96.1Very high10 Ų1042.3 Ų42.34%0.03922%0.221CC..  trans-74.3117.2175.7-179.4-101.2000110.9F356 M359 K360 F361 F439 F445 P446 G451 L452F356-Y449 HydrophobicContact CB-CD2 3.98Å; F356-Y449 HydrophobicContact CB-CE2 4.34Å; F356-Y449 AromaticContact CD1-CD2 3.9Å; F356-Y449 HydrophobicContact CD1-CD2 3.9Å; F356-Y449 HydrophobicContact CD1-CE2 4.15Å; F356-Y449 HydrophobicContact CD1-CG 4.43Å; F356-Y449 HydrophobicContact CG-CD2 4.4Å; F356-Y449 WeakPolarHBondContact O-CD2 3.39Å; F356-Y449 VanDerWaalsContact O-CE2 3.28Å; F356-Y449 WeakPolarHBondContact O-CE2 2.88Å; M359-Y449 PolarHBondContact O-OH 2.72Å; K360-Y449 WeakPolarHBondContact CA-OH 3.36Å; F361-Y449 WeakPolarHBondContact CD2-OH 3.07Å; F361-Y449 PolarHBondContact N-OH 3.37Å; F361-Y449 VanDerWaalsContact N-OH 3.14Å; F439-Y449 HydrophobicContact CE1-CD1 4.29Å; F439-Y449 AromaticContact CZ-CD1 3.77Å; F439-Y449 HydrophobicContact CZ-CD1 3.77Å; F439-Y449 AromaticContact CZ-CE1 3.95Å; F439-Y449 HydrophobicContact CZ-CE1 3.95Å; F445-Y449 AromaticContact CD1-CD1 3.54Å; F445-Y449 HydrophobicContact CD1-CD1 3.54Å; F445-Y449 AromaticContact CD1-CE1 3.61Å; F445-Y449 HydrophobicContact CD1-CE1 3.61Å; F445-Y449 HydrophobicContact CD1-CG 4Å; F445-Y449 HydrophobicContact CE1-CD1 4.2Å; F445-Y449 AromaticContact CE1-CE1 3.78Å; F445-Y449 HydrophobicContact CE1-CE1 3.78Å; P446-Y449 WeakPolarHBondContact O-CB 3.22Å; P446-Y449 PolarHBondContact O-N 2.71Å; Y449-G451 VanDerWaalsContact CE1-C 3.41Å; Y449-G451 VanDerWaalsContact OH-C 3.28Å; Y449-G451 WeakPolarHBondContact OH-CA 3.46Å; Y449-G451 PolarHBondContact OH-O 2.93Å; Y449-L452 HydrophobicContact CE1-CB 4.23Å; Y449-L452 VanDerWaalsContact CE1-N 3.3Å
450E96.1Very high95.5Very high82 Ų8251.4 Ų51.438%0.38326%0.261SS..  trans-109.25.7-179.2-55.2-170.814500113Q381 Y382 N383 N448 L452Q381-E450 HydrophobicContact CG-CB 4.26Å; Q381-E450 VanDerWaalsContact NE2-CB 3.3Å; Q381-E450 PolarHBondContact NE2-OE2 2.86Å; Y382-E450 WeakPolarHBondContact O-CA 3.48Å; Y382-E450 WeakPolarHBondContact O-CB 3.05Å; N383-E450 PolarHBondContact ND2-OE1 2.53Å; N383-E450 VanDerWaalsContact ND2-OE1 3.15Å; N448-E450 PolarHBondContact O-N 3.04Å; E450-L452 VanDerWaalsContact C-N 3.31Å; E450-L452 PolarHBondContact O-N 2.87Å
451G97.2Very high95.1Very high15 Ų1553 Ų5316%0.15527%0.272CS..  trans-83.35.8-174.400000115.4K360 F361 Y449K360-G451 WeakPolarHBondContact CA-O 3.34Å; K360-G451 WeakPolarHBondContact CB-O 3.26Å; F361-G451 PolarHBondContact N-O 2.76Å; Y449-G451 VanDerWaalsContact CE1-C 3.41Å; Y449-G451 VanDerWaalsContact OH-C 3.28Å; Y449-G451 WeakPolarHBondContact OH-CA 3.46Å; Y449-G451 PolarHBondContact OH-O 2.93Å
452L98.4Very high94.8Very high4 Ų451.5 Ų51.52%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-76.4122.6175.4179.964.1000110.2L200 F361 F367 L371 Y382 F439 Y449 E450 P454L200-L452 HydrophobicContact CD1-CD1 4Å; F361-L452 HydrophobicContact CB-CD1 4.49Å; F361-L452 WeakPolarHBondContact O-CA 3.36Å; F367-L452 HydrophobicContact CD1-CD1 4.45Å; F367-L452 HydrophobicContact CD1-CD2 4.28Å; L371-L452 HydrophobicContact CD1-CD2 4.23Å; Y382-L452 WeakPolarHBondContact CB-O 3.44Å; Y382-L452 HydrophobicContact CD1-CB 4.08Å; Y382-L452 HydrophobicContact CD2-CB 4.34Å; Y382-L452 HydrophobicContact CD2-CD2 3.71Å; Y382-L452 HydrophobicContact CD2-CG 4.37Å; Y382-L452 HydrophobicContact CE2-CD2 3.7Å; Y382-L452 HydrophobicContact CG-CB 3.89Å; Y382-L452 HydrophobicContact CG-CD2 4.12Å; Y382-L452 HydrophobicContact CG-CG 4.41Å; F439-L452 HydrophobicContact CD1-CD2 4.13Å; F439-L452 HydrophobicContact CE1-CB 4.2Å; F439-L452 HydrophobicContact CE1-CD2 3.79Å; F439-L452 HydrophobicContact CE2-CD1 4.34Å; F439-L452 HydrophobicContact CE2-CD2 4.41Å; F439-L452 HydrophobicContact CZ-CB 3.92Å; F439-L452 HydrophobicContact CZ-CD1 4.28Å; F439-L452 HydrophobicContact CZ-CD2 3.94Å; F439-L452 HydrophobicContact CZ-CG 4.27Å; Y449-L452 HydrophobicContact CE1-CB 4.23Å; Y449-L452 VanDerWaalsContact CE1-N 3.3Å; E450-L452 VanDerWaalsContact C-N 3.31Å; E450-L452 PolarHBondContact O-N 2.87Å; L452-P454 WeakPolarHBondContact O-CD 3.49Å
453I98.1Very high94.5Very high38 Ų3851.7 Ų51.720%0.19527%0.267CS..EExtended strand (participates in β ladder)trans-115.795.4177.6-59174.7000108.4K360 F361 Y362 G363 P378 T455K360-I453 HydrophobicContact CB-CD1 4.23Å; K360-I453 HydrophobicContact CD-CD1 3.78Å; F361-I453 PolarHBondContact O-N 3.47Å; Y362-I453 CarbonylContact C-O 3.39Å; Y362-I453 WeakPolarHBondContact CA-O 3.49Å; Y362-I453 HydrophobicContact CD1-CB 4.35Å; Y362-I453 HydrophobicContact CD1-CG2 4.21Å; Y362-I453 HydrophobicContact CE1-CB 4.41Å; Y362-I453 HydrophobicContact CE1-CD1 4.23Å; Y362-I453 HydrophobicContact CE1-CG2 4.09Å; Y362-I453 HydrophobicContact CE2-CD1 4.03Å; G363-I453 PolarHBondContact N-O 3.35Å; P378-I453 HydrophobicContact CG-CG2 4.16Å; I453-T455 PolarHBondContact O-N 3.39Å
454P98.1Very high94.2Very high3 Ų353 Ų532%0.01927%0.273CS..EExtended strand (participates in β ladder)trans-68123171.426.3-31.5000110.2G363 Y368 L371 I377 L452G363-P454 WeakPolarHBondContact O-CA 3.16Å; Y368-P454 HydrophobicContact CD2-CB 4.5Å; L371-P454 HydrophobicContact CB-CB 4.34Å; L371-P454 HydrophobicContact CB-CG 4.26Å; L371-P454 HydrophobicContact CD1-CB 3.91Å; L371-P454 HydrophobicContact CD1-CG 3.76Å; I377-P454 HydrophobicContact CB-CG 4.44Å; I377-P454 HydrophobicContact CG2-CB 4.21Å; I377-P454 HydrophobicContact CG2-CG 3.93Å; L452-P454 WeakPolarHBondContact O-CD 3.49Å
455T97.1Very high94.2Very high20 Ų2049.7 Ų49.712%0.12326%0.257CS..  trans-154.5156.9177.3-166.90000112.8Y362 G363 L364 I453 E457 I458 L463Y362-T455 HydrophobicContact CD1-CG2 3.8Å; G363-T455 PolarHBondContact O-N 3Å; L364-T455 HydrophobicContact CD2-CG2 4.34Å; L364-T455 WeakPolarHBondContact CD2-O 3.36Å; I453-T455 PolarHBondContact O-N 3.39Å; T455-E457 PolarHBondContact OG1-N 3.4Å; T455-E457 VanDerWaalsContact OG1-N 3.08Å; T455-E457 PolarHBondContact OG1-O 2.88Å; T455-I458 HydrophobicContact CG2-CG1 4.31Å; T455-L463 HydrophobicContact CG2-CD2 4.33Å
456L93.7Very high94Very high35 Ų3549.6 Ų49.618%0.18326%0.257CS..SBendtrans-109.9-5.7165.2-63176.7000112.7Y368 Y369 E462 L463Y368-L456 HydrophobicContact CD1-CD1 3.38Å; Y368-L456 HydrophobicContact CD1-CD2 3.94Å; Y368-L456 HydrophobicContact CD1-CG 3.34Å; Y368-L456 HydrophobicContact CD2-CG 4.2Å; Y368-L456 HydrophobicContact CE1-CD1 3.33Å; Y368-L456 HydrophobicContact CE1-CG 3.67Å; Y368-L456 HydrophobicContact CE2-CG 4.45Å; Y368-L456 HydrophobicContact CG-CD1 4.19Å; Y368-L456 HydrophobicContact CG-CD2 4.1Å; Y368-L456 HydrophobicContact CG-CG 3.62Å; Y369-L456 HydrophobicContact CD1-CD1 4.5Å; Y369-L456 HydrophobicContact CE1-CD1 3.63Å; Y369-L456 HydrophobicContact CE2-CD2 4.23Å; Y369-L456 WeakPolarHBondContact OH-CD1 3.31Å; L456-E462 CarbonylContact O-C 3.59Å; L456-E462 WeakPolarHBondContact O-CA 3.34Å; L456-L463 PolarHBondContact O-N 3.48Å
457E93.4Very high93.9Very high112 Ų11247.8 Ų47.852%0.52325%0.245SC..EExtended strand (participates in β ladder)trans-146.7151.7-177.160174.2-145.300112.3T455 T461T455-E457 PolarHBondContact OG1-N 3.4Å; T455-E457 VanDerWaalsContact OG1-N 3.08Å; T455-E457 PolarHBondContact OG1-O 2.88Å; E457-T461 WeakPolarHBondContact CA-O 3.3Å; E457-T461 WeakPolarHBondContact CB-O 3.38Å
458I93Very high93.8Very high12 Ų1244 Ų446%0.06222%0.221CC..EExtended strand (participates in β ladder)trans-132.7128.2170.4-60.7179.1000106.4V175 L178 L179 Y362 T455 K460 T461 L463V175-I458 HydrophobicContact CG1-CD1 4.45Å; L178-I458 HydrophobicContact CB-CB 3.77Å; L178-I458 HydrophobicContact CB-CD1 4.32Å; L178-I458 HydrophobicContact CB-CG2 3.75Å; L178-I458 HydrophobicContact CD1-CB 4Å; L179-I458 HydrophobicContact CD2-CD1 4.19Å; L179-I458 HydrophobicContact CD2-CG2 3.79Å; L179-I458 HydrophobicContact CG-CD1 4.05Å; L179-I458 HydrophobicContact CG-CG2 4.31Å; Y362-I458 HydrophobicContact CD1-CD1 3.63Å; Y362-I458 HydrophobicContact CD1-CG1 4.22Å; Y362-I458 HydrophobicContact CE1-CD1 3.7Å; Y362-I458 HydrophobicContact CE1-CG1 4.15Å; Y362-I458 HydrophobicContact CG-CD1 4.43Å; T455-I458 HydrophobicContact CG2-CG1 4.31Å; I458-K460 VanDerWaalsContact C-N 3.27Å; I458-K460 PolarHBondContact O-N 3.28Å; I458-T461 PolarHBondContact N-O 2.79Å; I458-T461 WeakPolarHBondContact O-CB 3.47Å; I458-T461 PolarHBondContact O-N 2.82Å; I458-L463 HydrophobicContact CD1-CD2 3.76Å; I458-L463 HydrophobicContact CG1-CD2 4.1Å
459N87.6Confident93.7Very high129 Ų12937.7 Ų37.769%0.6919%0.188SC*.THydrogen-bonded Turntrans53.440.4-179.6-62.9-33000113.9L178 T461L178-N459 PolarHBondContact O-ND2 3.5Å; N459-T461 PolarHBondContact O-N 3.46Å
460K85.3Confident93.5Very high191 Ų19137.2 Ų37.283%0.8319%0.186SC*.THydrogen-bonded Turntrans65.514.1-177.1-51177.8178.8178.90115.1I458I458-K460 VanDerWaalsContact C-N 3.27Å; I458-K460 PolarHBondContact O-N 3.28Å
461T88.1Confident93.4Very high48 Ų4833.4 Ų33.429%0.29417%0.168SC..EExtended strand (participates in β ladder)trans-105.3124.6173.1-57.70000109.1L178 E457 I458 N459 L463L178-T461 HydrophobicContact CD1-CG2 4.16Å; L178-T461 HydrophobicContact CD2-CG2 3.77Å; E457-T461 WeakPolarHBondContact CA-O 3.3Å; E457-T461 WeakPolarHBondContact CB-O 3.38Å; I458-T461 PolarHBondContact N-O 2.79Å; I458-T461 WeakPolarHBondContact O-CB 3.47Å; I458-T461 PolarHBondContact O-N 2.82Å; N459-T461 PolarHBondContact O-N 3.46Å; T461-L463 PolarHBondContact O-N 3.04Å
462E89.8Confident93.1Very high51 Ų5137.3 Ų37.324%0.23818%0.179CC..EExtended strand (participates in β ladder)trans-58123.6174.4-171.5175.2178.500109.1K79 L456 Q464K79-E462 IonicContact NZ-OE1 3.55Å; K79-E462 PolarHBondContact NZ-OE1 3.19Å; K79-E462 IonicContact NZ-OE2 2.68Å; L456-E462 CarbonylContact O-C 3.59Å; L456-E462 WeakPolarHBondContact O-CA 3.34Å; E462-Q464 HydrophobicContact CG-CG 4.17Å
463L91Very high92.7Very high3 Ų339.1 Ų39.12%0.01619%0.187CC..  trans-87116.2-177.917755.3000109.4A174 V175 L178 L364 T455 L456 I458 T461A174-L463 HydrophobicContact CB-CD1 3.54Å; V175-L463 HydrophobicContact CG2-CD1 4.09Å; V175-L463 HydrophobicContact CG2-CD2 3.68Å; V175-L463 HydrophobicContact CG2-CG 4.45Å; L178-L463 HydrophobicContact CD1-CB 4.32Å; L178-L463 HydrophobicContact CD1-CD1 3.98Å; L364-L463 HydrophobicContact CD1-CD2 4.02Å; L364-L463 HydrophobicContact CD1-CG 3.87Å; L364-L463 HydrophobicContact CD2-CD2 3.22Å; L364-L463 HydrophobicContact CD2-CG 3.79Å; L364-L463 HydrophobicContact CG-CD2 4.24Å; T455-L463 HydrophobicContact CG2-CD2 4.33Å; L456-L463 PolarHBondContact O-N 3.48Å; I458-L463 HydrophobicContact CD1-CD2 3.76Å; I458-L463 HydrophobicContact CG1-CD2 4.1Å; T461-L463 PolarHBondContact O-N 3.04Å
464Q89.7Confident92.1Very high27 Ų2738.2 Ų38.213%0.12618%0.182CC..  trans-140.1145.5179.9-62.4-79.2-79.300108.6F48 A174 E462 S466 L467F48-Q464 HydrophobicContact CE1-CG 4.17Å; F48-Q464 HydrophobicContact CE2-CG 4.37Å; F48-Q464 HydrophobicContact CZ-CG 3.69Å; A174-Q464 WeakPolarHBondContact CB-O 3.44Å; E462-Q464 HydrophobicContact CG-CG 4.17Å; Q464-S466 WeakPolarHBondContact CB-OG 3.22Å; Q464-S466 PolarHBondContact O-N 3.41Å; Q464-L467 WeakPolarHBondContact O-CB 3.32Å; Q464-L467 PolarHBondContact O-N 3.23Å
465W94.1Very high91.3Very high9 Ų938.7 Ų38.73%0.03418%0.184CC..Hα-helixtrans-60.2-26.5172.670.9-97.1000111.6D39 M122 T124 I162 E167 F170 L467 G468 A469D39-W465 HydrophobicContact CB-CZ2 3.9Å; D39-W465 VanDerWaalsContact OD1-CZ2 3.29Å; D39-W465 WeakPolarHBondContact OD1-CZ2 3.37Å; D39-W465 PolarHBondContact OD1-NE1 3.22Å; M122-W465 HydrophobicContact CB-CH2 3.57Å; M122-W465 HydrophobicContact CB-CZ3 4.33Å; M122-W465 HydrophobicContact CE-CH2 4.05Å; M122-W465 HydrophobicContact CE-CZ3 3.9Å; M122-W465 HydrophobicContact SD-CH2 4.35Å; M122-W465 HydrophobicContact SD-CZ3 4.19Å; T124-W465 HydrophobicContact CG2-CH2 4.4Å; T124-W465 HydrophobicContact CG2-CZ2 3.46Å; T124-W465 VanDerWaalsContact CG2-CZ2 3.46Å; I162-W465 HydrophobicContact CD1-CD2 4.27Å; I162-W465 HydrophobicContact CD1-CE3 3.91Å; I162-W465 HydrophobicContact CD1-CH2 3.58Å; I162-W465 HydrophobicContact CD1-CZ2 3.98Å; I162-W465 HydrophobicContact CD1-CZ3 3.56Å; I162-W465 HydrophobicContact CG1-CH2 4.31Å; E167-W465 HydrophobicContact CG-CD2 4.49Å; E167-W465 HydrophobicContact CG-CG 4.22Å; F170-W465 HydrophobicContact CB-CB 4.16Å; F170-W465 HydrophobicContact CB-CE3 4.09Å; F170-W465 WeakPolarHBondContact CB-O 3.36Å; F170-W465 AromaticContact CD2-CE3 3.72Å; F170-W465 HydrophobicContact CD2-CE3 3.72Å; F170-W465 AromaticContact CD2-CZ3 3.91Å; F170-W465 HydrophobicContact CD2-CZ3 3.91Å; F170-W465 HydrophobicContact CE2-CZ3 4.47Å; F170-W465 HydrophobicContact CG-CE3 4.38Å; W465-L467 PolarHBondContact O-N 2.84Å; W465-G468 WeakPolarHBondContact O-CA 2.92Å; W465-G468 PolarHBondContact O-N 2.91Å; W465-A469 HydrophobicContact CE3-CB 3.93Å; W465-A469 HydrophobicContact CZ3-CB 3.74Å; W465-A469 PolarHBondContact O-N 2.82Å
466S93.2Very high90.4Very high0 Ų039.8 Ų39.80%020%0.195CC..Hα-helixtrans-57.7-32.6177.361.50000113.2I37 Y50 Q464 A469 L470I37-S466 WeakPolarHBondContact CD1-O 3.27Å; Y50-S466 PolarHBondContact OH-OG 2.88Å; Q464-S466 WeakPolarHBondContact CB-OG 3.22Å; Q464-S466 PolarHBondContact O-N 3.41Å; S466-A469 PolarHBondContact O-N 2.94Å; S466-L470 PolarHBondContact O-N 3.17Å
467L94.7Very high89.4Confident3 Ų341.6 Ų41.62%0.01621%0.208CC..Hα-helixtrans-66-42.2172.3174.960.7000111.6Y50 V65 A174 Y177 L178 Q464 W465 A469 L470 L471Y50-L467 HydrophobicContact CE1-CD1 3.98Å; V65-L467 HydrophobicContact CG2-CD1 3.49Å; V65-L467 VanDerWaalsContact CG2-CD1 3.49Å; A174-L467 HydrophobicContact CB-CB 4.22Å; A174-L467 HydrophobicContact CB-CD2 4.46Å; A174-L467 HydrophobicContact CB-CG 4.44Å; Y177-L467 HydrophobicContact CD1-CD2 4.04Å; Y177-L467 HydrophobicContact CD1-CG 4.47Å; Y177-L467 HydrophobicContact CE1-CD1 4.44Å; Y177-L467 HydrophobicContact CE1-CD2 4.34Å; L178-L467 HydrophobicContact CD1-CD2 4.03Å; L178-L467 HydrophobicContact CD2-CD2 3.78Å; L178-L467 HydrophobicContact CG-CD2 3.87Å; Q464-L467 WeakPolarHBondContact O-CB 3.32Å; Q464-L467 PolarHBondContact O-N 3.23Å; W465-L467 PolarHBondContact O-N 2.84Å; L467-A469 VanDerWaalsContact C-N 3.33Å; L467-L470 HydrophobicContact CD1-CD2 4.5Å; L467-L470 WeakPolarHBondContact O-CB 3.3Å; L467-L470 PolarHBondContact O-N 3.22Å; L467-L471 HydrophobicContact CD1-CD1 4.2Å; L467-L471 HydrophobicContact CD1-CG 4.36Å; L467-L471 HydrophobicContact CG-CD1 4.13Å; L467-L471 VanDerWaalsContact O-CG 3.27Å; L467-L471 WeakPolarHBondContact O-CG 3.05Å; L467-L471 PolarHBondContact O-N 3.17Å
468G96.1Very high88.3Confident0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-67.5-36.4175.800000112.5F170 W465 L470 L471 Y472F170-G468 WeakPolarHBondContact O-CA 3.46Å; W465-G468 WeakPolarHBondContact O-CA 2.92Å; W465-G468 PolarHBondContact O-N 2.91Å; G468-L470 VanDerWaalsContact C-N 3.33Å; G468-L471 PolarHBondContact O-N 2.79Å; G468-Y472 VanDerWaalsContact O-CB 3.27Å; G468-Y472 WeakPolarHBondContact O-CB 3.31Å; G468-Y472 PolarHBondContact O-N 2.76Å
469A95.4Very high87.1Confident0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-63.5-40.7173.700000111.4M122 F170 W465 S466 L467 K473M122-A469 HydrophobicContact CE-CB 3.8Å; M122-A469 HydrophobicContact SD-CB 4.35Å; F170-A469 HydrophobicContact CB-CB 4.28Å; F170-A469 HydrophobicContact CD1-CB 4.29Å; F170-A469 HydrophobicContact CD2-CB 3.52Å; F170-A469 HydrophobicContact CE2-CB 3.8Å; F170-A469 HydrophobicContact CG-CB 3.78Å; F170-A469 HydrophobicContact CZ-CB 4.33Å; W465-A469 HydrophobicContact CE3-CB 3.93Å; W465-A469 HydrophobicContact CZ3-CB 3.74Å; W465-A469 PolarHBondContact O-N 2.82Å; S466-A469 PolarHBondContact O-N 2.94Å; L467-A469 VanDerWaalsContact C-N 3.33Å; A469-K473 WeakPolarHBondContact O-CB 2.98Å; A469-K473 VanDerWaalsContact O-CG 3.29Å; A469-K473 WeakPolarHBondContact O-CG 3.28Å; A469-K473 PolarHBondContact O-N 3.38Å
470L93.8Very high86.2Confident0 Ų039.3 Ų39.30%020%0.2CC..Hα-helixtrans-56.2-56.4172.9175.356.2000111.1I35 I37 Y50 V65 S466 L467 G468 Y472 K473 L474I35-L470 HydrophobicContact CB-CD1 4.31Å; I35-L470 HydrophobicContact CD1-CD1 3.39Å; I35-L470 HydrophobicContact CG1-CD1 4.04Å; I35-L470 HydrophobicContact CG2-CD1 3.49Å; I35-L470 VanDerWaalsContact CG2-CD1 3.49Å; I35-L470 HydrophobicContact CG2-CD2 4.06Å; I35-L470 HydrophobicContact CG2-CG 4.45Å; I37-L470 HydrophobicContact CD1-CB 3.5Å; I37-L470 HydrophobicContact CD1-CD1 4.04Å; I37-L470 HydrophobicContact CD1-CG 4.25Å; Y50-L470 HydrophobicContact CD1-CD2 3.96Å; Y50-L470 HydrophobicContact CD2-CD2 3.7Å; Y50-L470 HydrophobicContact CE2-CD2 4.31Å; Y50-L470 HydrophobicContact CG-CD2 3.49Å; Y50-L470 VanDerWaalsContact CG-CD2 3.49Å; V65-L470 HydrophobicContact CB-CD2 4.06Å; V65-L470 HydrophobicContact CG1-CD2 4.01Å; V65-L470 HydrophobicContact CG2-CD2 3.91Å; S466-L470 PolarHBondContact O-N 3.17Å; L467-L470 HydrophobicContact CD1-CD2 4.5Å; L467-L470 WeakPolarHBondContact O-CB 3.3Å; L467-L470 PolarHBondContact O-N 3.22Å; G468-L470 VanDerWaalsContact C-N 3.33Å; L470-Y472 VanDerWaalsContact C-N 3.28Å; L470-Y472 PolarHBondContact O-N 3.36Å; L470-K473 PolarHBondContact O-N 2.87Å; L470-K473 VanDerWaalsContact O-N 3.16Å; L470-L474 HydrophobicContact CD1-CD1 3.66Å; L470-L474 HydrophobicContact CD1-CD2 4.36Å; L470-L474 HydrophobicContact CD1-CG 3.72Å; L470-L474 HydrophobicContact CG-CD1 3.9Å; L470-L474 HydrophobicContact CG-CG 4.31Å; L470-L474 WeakPolarHBondContact O-CB 3.43Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 2.85Å
471L92.7Very high85.5Confident1 Ų136.2 Ų36.21%0.00519%0.188CC..Hα-helixtrans-61.3-39.8-176.5-67164.6000111.5L62 V65 I173 Y177 L467 G468 K475L62-L471 HydrophobicContact CB-CD2 4.25Å; V65-L471 HydrophobicContact CG2-CD2 4.02Å; I173-L471 HydrophobicContact CG2-CB 4.16Å; I173-L471 HydrophobicContact CG2-CD1 4.11Å; Y177-L471 HydrophobicContact CD1-CD1 3.64Å; Y177-L471 HydrophobicContact CD2-CD1 3.52Å; Y177-L471 HydrophobicContact CD2-CD2 3.98Å; Y177-L471 HydrophobicContact CD2-CG 4.41Å; Y177-L471 HydrophobicContact CE1-CD1 4.15Å; Y177-L471 HydrophobicContact CE2-CD1 4.03Å; Y177-L471 HydrophobicContact CE2-CD2 3.72Å; Y177-L471 HydrophobicContact CG-CD1 3.3Å; L467-L471 HydrophobicContact CD1-CD1 4.2Å; L467-L471 HydrophobicContact CD1-CG 4.36Å; L467-L471 HydrophobicContact CG-CD1 4.13Å; L467-L471 VanDerWaalsContact O-CG 3.27Å; L467-L471 WeakPolarHBondContact O-CG 3.05Å; L467-L471 PolarHBondContact O-N 3.17Å; G468-L471 PolarHBondContact O-N 2.79Å; L471-K475 WeakPolarHBondContact O-CB 3.1Å; L471-K475 PolarHBondContact O-N 3.05Å
472Y92.5Very high84.6Confident97 Ų9737.2 Ų37.238%0.3819%0.19SC..Hα-helixtrans-61.6-47175.3-173.7-87.5000111.7L169 F170 I173 F227 G468 L470 K475 A476L169-Y472 HydrophobicContact CD2-CD2 4.45Å; L169-Y472 HydrophobicContact CD2-CE2 4.14Å; F170-Y472 HydrophobicContact CD1-CG 4.34Å; F170-Y472 AromaticContact CE1-CD1 3.84Å; F170-Y472 HydrophobicContact CE1-CD1 3.84Å; F170-Y472 HydrophobicContact CE1-CD2 4.08Å; F170-Y472 HydrophobicContact CE1-CE1 4.48Å; F170-Y472 AromaticContact CE1-CG 3.62Å; F170-Y472 HydrophobicContact CE1-CG 3.62Å; F170-Y472 HydrophobicContact CZ-CD1 4.33Å; I173-Y472 HydrophobicContact CD1-CD2 3.93Å; F227-Y472 AromaticContact CD2-CD2 3.83Å; F227-Y472 HydrophobicContact CD2-CD2 3.83Å; F227-Y472 HydrophobicContact CD2-CE2 4.19Å; F227-Y472 AromaticContact CE2-CD2 3.93Å; F227-Y472 HydrophobicContact CE2-CD2 3.93Å; G468-Y472 VanDerWaalsContact O-CB 3.27Å; G468-Y472 WeakPolarHBondContact O-CB 3.31Å; G468-Y472 PolarHBondContact O-N 2.76Å; L470-Y472 VanDerWaalsContact C-N 3.28Å; L470-Y472 PolarHBondContact O-N 3.36Å; Y472-K475 PolarHBondContact O-N 3.2Å; Y472-A476 PolarHBondContact O-N 3.38Å; Y472-A476 VanDerWaalsContact O-N 3.13Å
473K88.4Confident83.6Confident42 Ų4240.3 Ų40.318%0.18320%0.204CC..Hα-helixtrans-69.3-45.2-179.7-71.6-179.1-172.5-66.80112.3F120 M122 Y160 A469 L470 K475 A476 T477F120-K473 HydrophobicContact CD1-CD 3.78Å; F120-K473 HydrophobicContact CD2-CD 4.39Å; F120-K473 HydrophobicContact CE1-CD 3.57Å; F120-K473 HydrophobicContact CE2-CD 4.2Å; F120-K473 HydrophobicContact CG-CD 4.19Å; F120-K473 HydrophobicContact CZ-CD 3.8Å; M122-K473 VanDerWaalsContact SD-CE 3.52Å; Y160-K473 PolarHBondContact OH-NZ 2.94Å; Y160-K473 VanDerWaalsContact OH-NZ 3.15Å; A469-K473 WeakPolarHBondContact O-CB 2.98Å; A469-K473 VanDerWaalsContact O-CG 3.29Å; A469-K473 WeakPolarHBondContact O-CG 3.28Å; A469-K473 PolarHBondContact O-N 3.38Å; L470-K473 PolarHBondContact O-N 2.87Å; L470-K473 VanDerWaalsContact O-N 3.16Å; K473-K475 VanDerWaalsContact C-N 3.28Å; K473-K475 PolarHBondContact O-N 2.95Å; K473-A476 PolarHBondContact O-N 3.11Å; K473-T477 PolarHBondContact O-N 2.88Å; K473-T477 PolarHBondContact O-OG1 3.25Å
474L85.5Confident82.7Confident20 Ų2047 Ų4711%0.10523%0.233CC..Hα-helixtrans-58.4-43.2175.3-72.2-179.7000110.8W52 E63 V65 L470 A476 T477 T478W52-L474 HydrophobicContact CH2-CD1 4.48Å; W52-L474 HydrophobicContact CH2-CD2 3.76Å; W52-L474 HydrophobicContact CZ2-CD1 4.33Å; W52-L474 HydrophobicContact CZ2-CD2 3.64Å; E63-L474 HydrophobicContact CB-CD1 4.02Å; E63-L474 HydrophobicContact CG-CD1 4.2Å; V65-L474 HydrophobicContact CG1-CD1 3.79Å; L470-L474 HydrophobicContact CD1-CD1 3.66Å; L470-L474 HydrophobicContact CD1-CD2 4.36Å; L470-L474 HydrophobicContact CD1-CG 3.72Å; L470-L474 HydrophobicContact CG-CD1 3.9Å; L470-L474 HydrophobicContact CG-CG 4.31Å; L470-L474 WeakPolarHBondContact O-CB 3.43Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 2.85Å; L474-A476 PolarHBondContact O-N 3.47Å; L474-T477 PolarHBondContact O-N 2.91Å; L474-T478 WeakPolarHBondContact O-CG2 3.39Å; L474-T478 PolarHBondContact O-N 2.77Å; L474-T478 PolarHBondContact O-OG1 2.89Å
475K82.6Confident81.7Confident12 Ų1251.3 Ų51.35%0.05225%0.248CC..Hα-helixtrans-62.9-42.2178.5-17366.2-160.5166.20112L62 T230 L471 Y472 K473 T477 T478 I479L62-K475 HydrophobicContact CD2-CB 4.05Å; L62-K475 HydrophobicContact CD2-CD 4.16Å; L62-K475 HydrophobicContact CD2-CG 4.23Å; T230-K475 PolarHBondContact O-NZ 3.45Å; L471-K475 WeakPolarHBondContact O-CB 3.1Å; L471-K475 PolarHBondContact O-N 3.05Å; Y472-K475 PolarHBondContact O-N 3.2Å; K473-K475 VanDerWaalsContact C-N 3.28Å; K473-K475 PolarHBondContact O-N 2.95Å; K475-T477 VanDerWaalsContact C-N 3.34Å; K475-T477 PolarHBondContact O-N 3.24Å; K475-T478 WeakPolarHBondContact CA-OG1 3.31Å; K475-T478 PolarHBondContact O-N 3.49Å; K475-T478 PolarHBondContact O-OG1 2.61Å; K475-I479 HydrophobicContact CD-CD1 4.49Å; K475-I479 HydrophobicContact CG-CD1 4.02Å; K475-I479 HydrophobicContact CG-CG1 4.49Å; K475-I479 WeakPolarHBondContact O-CG1 3.45Å; K475-I479 PolarHBondContact O-N 2.89Å
476A76.8Confident80.6Confident44 Ų4456 Ų5636%0.36427%0.27SS..Hα-helixtrans-58.3-46.2175.500000111.6Y472 K473 L474 T478 I479 D480Y472-A476 PolarHBondContact O-N 3.38Å; Y472-A476 VanDerWaalsContact O-N 3.13Å; K473-A476 PolarHBondContact O-N 3.11Å; L474-A476 PolarHBondContact O-N 3.47Å; A476-T478 PolarHBondContact O-N 3.11Å; A476-I479 PolarHBondContact O-N 2.85Å; A476-D480 PolarHBondContact O-N 3.08Å; A476-D480 VanDerWaalsContact O-N 3.11Å
477T73.2Confident79.8Confident73 Ų7360.2 Ų60.245%0.44830%0.296SS..Hα-helixtrans-61.7-44.2176-50.10000112.2K473 L474 K475 I479 D480 E481K473-T477 PolarHBondContact O-N 2.88Å; K473-T477 PolarHBondContact O-OG1 3.25Å; L474-T477 PolarHBondContact O-N 2.91Å; K475-T477 VanDerWaalsContact C-N 3.34Å; K475-T477 PolarHBondContact O-N 3.24Å; T477-I479 VanDerWaalsContact C-N 3.3Å; T477-I479 PolarHBondContact O-N 3.41Å; T477-D480 PolarHBondContact O-N 3.19Å; T477-E481 WeakPolarHBondContact O-CG 3.14Å; T477-E481 PolarHBondContact O-N 2.7Å
478T70.6Confident79Confident29 Ų2963.3 Ų63.318%0.17831%0.312CS..Hα-helixtrans-62.8-3617858.60000112.5L474 K475 A476 E481 E482L474-T478 WeakPolarHBondContact O-CG2 3.39Å; L474-T478 PolarHBondContact O-N 2.77Å; L474-T478 PolarHBondContact O-OG1 2.89Å; K475-T478 WeakPolarHBondContact CA-OG1 3.31Å; K475-T478 PolarHBondContact O-N 3.49Å; K475-T478 PolarHBondContact O-OG1 2.61Å; A476-T478 PolarHBondContact O-N 3.11Å; T478-E481 PolarHBondContact O-N 3.05Å; T478-E482 WeakPolarHBondContact O-CB 3.29Å; T478-E482 VanDerWaalsContact O-CG 3.25Å; T478-E482 WeakPolarHBondContact O-CG 3.43Å; T478-E482 PolarHBondContact O-N 3.44Å
479I68.4Low78.2Confident68 Ų6868.3 Ų68.335%0.34934%0.338SS..Hα-helixtrans-66.7-44.3177-69.6166.9000110.4K475 A476 T477 E481 E482 Q483K475-I479 HydrophobicContact CD-CD1 4.49Å; K475-I479 HydrophobicContact CG-CD1 4.02Å; K475-I479 HydrophobicContact CG-CG1 4.49Å; K475-I479 WeakPolarHBondContact O-CG1 3.45Å; K475-I479 PolarHBondContact O-N 2.89Å; A476-I479 PolarHBondContact O-N 2.85Å; T477-I479 VanDerWaalsContact C-N 3.3Å; T477-I479 PolarHBondContact O-N 3.41Å; I479-E481 VanDerWaalsContact C-N 3.3Å; I479-E481 PolarHBondContact O-N 3.01Å; I479-E482 PolarHBondContact O-N 3.48Å; I479-Q483 WeakPolarHBondContact O-CB 3.44Å; I479-Q483 PolarHBondContact O-N 3.27Å
480D68.4Low77.6Confident107 Ų10773.6 Ų73.657%0.57237%0.366SS*.Hα-helixtrans-61.8-39.7177.2-70.1-20.9000111.4A476 T477 K484A476-D480 PolarHBondContact O-N 3.08Å; A476-D480 VanDerWaalsContact O-N 3.11Å; T477-D480 PolarHBondContact O-N 3.19Å; D480-K484 VanDerWaalsContact O-CB 3.27Å; D480-K484 WeakPolarHBondContact O-CB 3.23Å; D480-K484 PolarHBondContact O-N 3.24Å
481E70.3Confident77Confident126 Ų12677.1 Ų77.159%0.58939%0.39SS*.Hα-helixtrans-68.3-43.4175.3-72.3-175.4171.400112.7T477 T478 I479 K484 R485T477-E481 WeakPolarHBondContact O-CG 3.14Å; T477-E481 PolarHBondContact O-N 2.7Å; T478-E481 PolarHBondContact O-N 3.05Å; I479-E481 VanDerWaalsContact C-N 3.3Å; I479-E481 PolarHBondContact O-N 3.01Å; E481-K484 PolarHBondContact O-N 3.22Å; E481-R485 VanDerWaalsContact O-CB 3.3Å; E481-R485 WeakPolarHBondContact O-CB 3.18Å; E481-R485 PolarHBondContact O-N 3.01Å
482E69.1Low76.6Confident70 Ų7079.1 Ų79.133%0.32740%0.403SS..Hα-helixtrans-59.7-48.9174.9-79173.9179.800110.8T478 I479 K484 R485 E486T478-E482 WeakPolarHBondContact O-CB 3.29Å; T478-E482 VanDerWaalsContact O-CG 3.25Å; T478-E482 WeakPolarHBondContact O-CG 3.43Å; T478-E482 PolarHBondContact O-N 3.44Å; I479-E482 PolarHBondContact O-N 3.48Å; E482-K484 VanDerWaalsContact C-N 3.34Å; E482-K484 PolarHBondContact O-N 3.06Å; E482-R485 CarbonylContact O-C 3.53Å; E482-R485 WeakPolarHBondContact O-CA 3.23Å; E482-R485 WeakPolarHBondContact O-CB 3.34Å; E482-R485 PolarHBondContact O-N 2.94Å; E482-R485 VanDerWaalsContact O-N 3.13Å; E482-E486 WeakPolarHBondContact O-CG 3.34Å; E482-E486 PolarHBondContact O-N 3.01Å
483Q69Low76.3Confident115 Ų11577.7 Ų77.754%0.53740%0.404SS..Hα-helixtrans-65-36.8179.3-171.7177.3-11.200112.2I479 E486 T487I479-Q483 WeakPolarHBondContact O-CB 3.44Å; I479-Q483 PolarHBondContact O-N 3.27Å; Q483-E486 PolarHBondContact O-N 2.92Å; Q483-T487 PolarHBondContact O-N 2.99Å; Q483-T487 PolarHBondContact O-OG1 3.27Å
484K71.7Confident76.3Confident144 Ų14480 Ų8063%0.62642%0.418SS*.Hα-helixtrans-65.9-41.9172.6-172.5178179.7-176.60111.2D480 E481 E482 T487 I488D480-K484 VanDerWaalsContact O-CB 3.27Å; D480-K484 WeakPolarHBondContact O-CB 3.23Å; D480-K484 PolarHBondContact O-N 3.24Å; E481-K484 PolarHBondContact O-N 3.22Å; E482-K484 VanDerWaalsContact C-N 3.34Å; E482-K484 PolarHBondContact O-N 3.06Å; K484-T487 PolarHBondContact O-N 3.41Å; K484-I488 HydrophobicContact CG-CD1 4.15Å; K484-I488 VanDerWaalsContact O-CG1 3.3Å; K484-I488 WeakPolarHBondContact O-CG1 3.21Å; K484-I488 PolarHBondContact O-N 2.94Å
485R69.4Low76.5Confident118 Ų11885 Ų8545%0.44544%0.439SS..Hα-helixtrans-60.6-42.2174.2156.5169.7-54.6-124.53.8111.5F25 E481 E482 I488 L489F25-R485 VanDerWaalsContact CD1-NH1 3.29Å; F25-R485 HydrophobicContact CE1-CG 3.79Å; F25-R485 HydrophobicContact CZ-CB 3.79Å; F25-R485 HydrophobicContact CZ-CG 3.45Å; F25-R485 VanDerWaalsContact CZ-CG 3.45Å; F25-R485 PolarHBondContact O-NH2 3.12Å; E481-R485 VanDerWaalsContact O-CB 3.3Å; E481-R485 WeakPolarHBondContact O-CB 3.18Å; E481-R485 PolarHBondContact O-N 3.01Å; E482-R485 CarbonylContact O-C 3.53Å; E482-R485 WeakPolarHBondContact O-CA 3.23Å; E482-R485 WeakPolarHBondContact O-CB 3.34Å; E482-R485 PolarHBondContact O-N 2.94Å; E482-R485 VanDerWaalsContact O-N 3.13Å; R485-I488 PolarHBondContact O-N 3.49Å; R485-L489 WeakPolarHBondContact O-CB 3.2Å; R485-L489 PolarHBondContact O-N 2.79Å
486E71.3Confident76.6Confident106 Ų10686.4 Ų86.450%0.49545%0.449SS..Hα-helixtrans-61.9-45.5173.5-73.2-177.2168.900112.3E482 Q483 I488 L489 L490E482-E486 WeakPolarHBondContact O-CG 3.34Å; E482-E486 PolarHBondContact O-N 3.01Å; Q483-E486 PolarHBondContact O-N 2.92Å; E486-I488 VanDerWaalsContact C-N 3.31Å; E486-I488 PolarHBondContact O-N 3.37Å; E486-L489 PolarHBondContact O-N 3.49Å; E486-L490 VanDerWaalsContact O-CB 3.27Å; E486-L490 WeakPolarHBondContact O-CB 3.17Å; E486-L490 PolarHBondContact O-N 3.16Å
487T76.2Confident77.3Confident89 Ų8988.8 Ų88.855%0.54646%0.455SS..Hα-helixtrans-62.3-40.7179.7-55.50000111.3Q483 K484 S491Q483-T487 PolarHBondContact O-N 2.99Å; Q483-T487 PolarHBondContact O-OG1 3.27Å; K484-T487 PolarHBondContact O-N 3.41Å; T487-S491 VanDerWaalsContact O-CB 3.31Å; T487-S491 WeakPolarHBondContact O-CB 3.39Å; T487-S491 PolarHBondContact O-N 3.36Å
488I78.2Confident78.1Confident68 Ų6888.6 Ų88.635%0.34945%0.453SS..Hα-helixtrans-67-48.7175.7-67.2166.1000110.6K484 R485 E486 L490 S491 V492K484-I488 HydrophobicContact CG-CD1 4.15Å; K484-I488 VanDerWaalsContact O-CG1 3.3Å; K484-I488 WeakPolarHBondContact O-CG1 3.21Å; K484-I488 PolarHBondContact O-N 2.94Å; R485-I488 PolarHBondContact O-N 3.49Å; E486-I488 VanDerWaalsContact C-N 3.31Å; E486-I488 PolarHBondContact O-N 3.37Å; I488-L490 VanDerWaalsContact C-N 3.34Å; I488-L490 PolarHBondContact O-N 3.38Å; I488-S491 WeakPolarHBondContact O-CB 3.35Å; I488-S491 PolarHBondContact O-N 3.08Å; I488-V492 HydrophobicContact CG2-CG2 4.35Å; I488-V492 VanDerWaalsContact O-CG2 3.3Å; I488-V492 WeakPolarHBondContact O-CG2 3.38Å; I488-V492 PolarHBondContact O-N 3.34Å
489L79.4Confident78.9Confident106 Ų10689.1 Ų89.156%0.55546%0.455SS*.Hα-helixtrans-60-44.6179.9-176.566.3000111.5R485 E486 S491 V492 V493R485-L489 WeakPolarHBondContact O-CB 3.2Å; R485-L489 PolarHBondContact O-N 2.79Å; E486-L489 PolarHBondContact O-N 3.49Å; L489-S491 PolarHBondContact O-N 3.22Å; L489-V492 PolarHBondContact O-N 2.86Å; L489-V493 VanDerWaalsContact O-CG2 3.31Å; L489-V493 WeakPolarHBondContact O-CG2 3.31Å; L489-V493 PolarHBondContact O-N 3.21Å
490L83Confident80Confident110 Ų11089.7 Ų89.758%0.57646%0.461SS*.Hα-helixtrans-61.8-43.8176.4-176.963.4000111.3E486 I488 V492 V493 I494E486-L490 VanDerWaalsContact O-CB 3.27Å; E486-L490 WeakPolarHBondContact O-CB 3.17Å; E486-L490 PolarHBondContact O-N 3.16Å; I488-L490 VanDerWaalsContact C-N 3.34Å; I488-L490 PolarHBondContact O-N 3.38Å; L490-V492 VanDerWaalsContact C-N 3.34Å; L490-V492 PolarHBondContact O-N 3.11Å; L490-V493 PolarHBondContact O-N 2.91Å; L490-I494 HydrophobicContact CD1-CD1 4.23Å; L490-I494 HydrophobicContact CD1-CG1 4.48Å; L490-I494 HydrophobicContact CG-CD1 3.94Å; L490-I494 WeakPolarHBondContact O-CB 3.36Å; L490-I494 VanDerWaalsContact O-CG1 3.24Å; L490-I494 WeakPolarHBondContact O-CG1 3Å; L490-I494 PolarHBondContact O-N 3.32Å
491S81.2Confident81.1Confident74 Ų7489.6 Ų89.652%0.51746%0.46SS..Hα-helixtrans-58.9-44.9175.1-177.40000111.9T487 I488 L489 I494 F495T487-S491 VanDerWaalsContact O-CB 3.31Å; T487-S491 WeakPolarHBondContact O-CB 3.39Å; T487-S491 PolarHBondContact O-N 3.36Å; I488-S491 WeakPolarHBondContact O-CB 3.35Å; I488-S491 PolarHBondContact O-N 3.08Å; L489-S491 PolarHBondContact O-N 3.22Å; S491-I494 PolarHBondContact O-N 3.22Å; S491-F495 WeakPolarHBondContact O-CB 3.43Å; S491-F495 PolarHBondContact O-N 3.06Å
492V84.4Confident82.1Confident43 Ų4387.9 Ų87.926%0.26145%0.454SS..Hα-helixtrans-64.2-43.2177.7169.80000111.6F18 I488 L489 L490 F495 C496F18-V492 HydrophobicContact CD1-CG1 4.3Å; F18-V492 HydrophobicContact CE1-CG1 3.3Å; F18-V492 HydrophobicContact CZ-CG1 3.86Å; I488-V492 HydrophobicContact CG2-CG2 4.35Å; I488-V492 VanDerWaalsContact O-CG2 3.3Å; I488-V492 WeakPolarHBondContact O-CG2 3.38Å; I488-V492 PolarHBondContact O-N 3.34Å; L489-V492 PolarHBondContact O-N 2.86Å; L490-V492 VanDerWaalsContact C-N 3.34Å; L490-V492 PolarHBondContact O-N 3.11Å; V492-F495 PolarHBondContact O-N 2.81Å; V492-C496 PolarHBondContact O-N 3.2Å; V492-C496 PolarHBondContact O-SG 2.98Å
493V85.7Confident83.1Confident68 Ų6886.9 Ų86.941%0.41245%0.451SS..Hα-helixtrans-63.8-44.3176.4170.20000111L489 L490 F495 C496 I497L489-V493 VanDerWaalsContact O-CG2 3.31Å; L489-V493 WeakPolarHBondContact O-CG2 3.31Å; L489-V493 PolarHBondContact O-N 3.21Å; L490-V493 PolarHBondContact O-N 2.91Å; V493-F495 VanDerWaalsContact C-N 3.32Å; V493-F495 PolarHBondContact O-N 3.39Å; V493-C496 WeakPolarHBondContact O-CB 3.05Å; V493-C496 PolarHBondContact O-N 2.78Å; V493-I497 HydrophobicContact CG1-CD1 3.97Å; V493-I497 WeakPolarHBondContact O-CG1 2.97Å; V493-I497 PolarHBondContact O-N 2.87Å
494I88.4Confident84.1Confident91 Ų9185.6 Ų85.647%0.46745%0.447SS..Hα-helixtrans-60.4-44.7175.5-69.5166.7000110.2L490 S491 C496 I497 V498L490-I494 HydrophobicContact CD1-CD1 4.23Å; L490-I494 HydrophobicContact CD1-CG1 4.48Å; L490-I494 HydrophobicContact CG-CD1 3.94Å; L490-I494 WeakPolarHBondContact O-CB 3.36Å; L490-I494 VanDerWaalsContact O-CG1 3.24Å; L490-I494 WeakPolarHBondContact O-CG1 3Å; L490-I494 PolarHBondContact O-N 3.32Å; S491-I494 PolarHBondContact O-N 3.22Å; I494-C496 VanDerWaalsContact C-N 3.34Å; I494-C496 PolarHBondContact O-N 3.05Å; I494-I497 PolarHBondContact O-N 2.98Å; I494-V498 HydrophobicContact CG2-CG2 4.46Å; I494-V498 WeakPolarHBondContact O-CG2 3.31Å; I494-V498 PolarHBondContact O-N 2.04Å
495F88.1Confident85Confident124 Ų12481.3 Ų81.354%0.54444%0.438SS..Hα-helixtrans-60.7-41.5176.9-173.5-105.2000112.2S491 V492 V493 V498 I499S491-F495 WeakPolarHBondContact O-CB 3.43Å; S491-F495 PolarHBondContact O-N 3.06Å; V492-F495 PolarHBondContact O-N 2.81Å; V493-F495 VanDerWaalsContact C-N 3.32Å; V493-F495 PolarHBondContact O-N 3.39Å; F495-V498 PolarHBondContact O-N 3.33Å; F495-I499 HydrophobicContact CD1-CD1 3.74Å; F495-I499 HydrophobicContact CE1-CD1 3.32Å; F495-I499 HydrophobicContact CE1-CG1 4.3Å; F495-I499 HydrophobicContact CZ-CD1 3.79Å; F495-I499 HydrophobicContact CZ-CG1 4.44Å; F495-I499 WeakPolarHBondContact O-CG1 3.33Å; F495-I499 PolarHBondContact O-N 3.15Å
496C86.6Confident86Confident41 Ų4178.6 Ų78.628%0.27743%0.432SS..Hα-helixtrans-57.6-49.3172.3-65.90000112F18 V492 V493 I494 V498 I499 V500F18-C496 WeakPolarHBondContact CZ-SG 3.48Å; V492-C496 PolarHBondContact O-N 3.2Å; V492-C496 PolarHBondContact O-SG 2.98Å; V493-C496 WeakPolarHBondContact O-CB 3.05Å; V493-C496 PolarHBondContact O-N 2.78Å; I494-C496 VanDerWaalsContact C-N 3.34Å; I494-C496 PolarHBondContact O-N 3.05Å; C496-V498 VanDerWaalsContact C-N 3.31Å; C496-V498 PolarHBondContact O-N 3.25Å; C496-I499 PolarHBondContact O-N 2.88Å; C496-V500 WeakPolarHBondContact O-CG2 3.31Å; C496-V500 PolarHBondContact O-N 2.96Å
497I89.9Confident86.8Confident95 Ų9579.2 Ų79.249%0.48744%0.436SS..Hα-helixtrans-60.7-43.7-178.6-68.1166.5000110V493 I494 I499 V500 L501V493-I497 HydrophobicContact CG1-CD1 3.97Å; V493-I497 WeakPolarHBondContact O-CG1 2.97Å; V493-I497 PolarHBondContact O-N 2.87Å; I494-I497 PolarHBondContact O-N 2.98Å; I497-I499 PolarHBondContact O-N 3.49Å; I497-V500 PolarHBondContact O-N 3.36Å; I497-L501 HydrophobicContact CG2-CD1 4.02Å; I497-L501 HydrophobicContact CG2-CG 4.38Å; I497-L501 VanDerWaalsContact O-CG 3.3Å; I497-L501 WeakPolarHBondContact O-CG 2.95Å; I497-L501 PolarHBondContact O-N 3.42Å
498V90.3Very high87.5Confident68 Ų6879.8 Ų79.841%0.41244%0.435SS..Hα-helixtrans-61.5-43.8176.9172.10000111.4I494 F495 C496 V500 L501 I502I494-V498 HydrophobicContact CG2-CG2 4.46Å; I494-V498 WeakPolarHBondContact O-CG2 3.31Å; I494-V498 PolarHBondContact O-N 2.04Å; F495-V498 PolarHBondContact O-N 3.33Å; C496-V498 VanDerWaalsContact C-N 3.31Å; C496-V498 PolarHBondContact O-N 3.25Å; V498-V500 PolarHBondContact O-N 3.39Å; V498-L501 PolarHBondContact O-N 2.89Å; V498-I502 HydrophobicContact CG1-CD1 3.83Å; V498-I502 HydrophobicContact CG1-CG1 4.44Å; V498-I502 VanDerWaalsContact O-CG1 3.29Å; V498-I502 WeakPolarHBondContact O-CG1 3.36Å; V498-I502 PolarHBondContact O-N 2.77Å
499I88.6Confident88Confident40 Ų4083.3 Ų83.321%0.20545%0.445CS..Hα-helixtrans-59.7-46.4175.3-72.2173.6000110.8I14 F495 C496 I497 L501 I502 L503I14-I499 HydrophobicContact CD1-CD1 4.46Å; I14-I499 HydrophobicContact CD1-CG2 4.49Å; F495-I499 HydrophobicContact CD1-CD1 3.74Å; F495-I499 HydrophobicContact CE1-CD1 3.32Å; F495-I499 HydrophobicContact CE1-CG1 4.3Å; F495-I499 HydrophobicContact CZ-CD1 3.79Å; F495-I499 HydrophobicContact CZ-CG1 4.44Å; F495-I499 WeakPolarHBondContact O-CG1 3.33Å; F495-I499 PolarHBondContact O-N 3.15Å; C496-I499 PolarHBondContact O-N 2.88Å; I497-I499 PolarHBondContact O-N 3.49Å; I499-L501 VanDerWaalsContact C-N 3.33Å; I499-L501 PolarHBondContact O-N 2.73Å; I499-I502 PolarHBondContact O-N 2.78Å; I499-L503 HydrophobicContact CG2-CD1 3.99Å; I499-L503 HydrophobicContact CG2-CG 4.39Å; I499-L503 VanDerWaalsContact O-CG 3.32Å; I499-L503 WeakPolarHBondContact O-CG 3.32Å; I499-L503 PolarHBondContact O-N 2.84Å
500V89.7Confident88.4Confident80 Ų8082.9 Ų82.949%0.48544%0.439SS..Hα-helixtrans-61.1-42.8178.7172.30000111.1C496 I497 V498 L503 I504C496-V500 WeakPolarHBondContact O-CG2 3.31Å; C496-V500 PolarHBondContact O-N 2.96Å; I497-V500 PolarHBondContact O-N 3.36Å; V498-V500 PolarHBondContact O-N 3.39Å; V500-L503 PolarHBondContact O-N 2.89Å; V500-I504 HydrophobicContact CG1-CD1 3.92Å; V500-I504 VanDerWaalsContact O-CG1 3.3Å; V500-I504 WeakPolarHBondContact O-CG1 3.42Å; V500-I504 PolarHBondContact O-N 2.87Å
501L92.2Very high88.5Confident106 Ų10681.3 Ų81.356%0.55543%0.434SS*.Hα-helixtrans-64.2-40.3176.7-69.9173.8000112.5I497 V498 I499 I504 A505I497-L501 HydrophobicContact CG2-CD1 4.02Å; I497-L501 HydrophobicContact CG2-CG 4.38Å; I497-L501 VanDerWaalsContact O-CG 3.3Å; I497-L501 WeakPolarHBondContact O-CG 2.95Å; I497-L501 PolarHBondContact O-N 3.42Å; V498-L501 PolarHBondContact O-N 2.89Å; I499-L501 VanDerWaalsContact C-N 3.33Å; I499-L501 PolarHBondContact O-N 2.73Å; L501-I504 PolarHBondContact O-N 3.34Å; L501-A505 WeakPolarHBondContact O-CB 3.25Å; L501-A505 PolarHBondContact O-N 3.19Å
502I91.3Very high88.7Confident90 Ų9082.6 Ų82.646%0.46243%0.434SS..Hα-helixtrans-62.6-44.4174.5-69.9167.3000110.3V498 I499 I504 A505 I506V498-I502 HydrophobicContact CG1-CD1 3.83Å; V498-I502 HydrophobicContact CG1-CG1 4.44Å; V498-I502 VanDerWaalsContact O-CG1 3.29Å; V498-I502 WeakPolarHBondContact O-CG1 3.36Å; V498-I502 PolarHBondContact O-N 2.77Å; I499-I502 PolarHBondContact O-N 2.78Å; I502-I504 VanDerWaalsContact C-N 3.35Å; I502-I504 PolarHBondContact O-N 3.33Å; I502-A505 PolarHBondContact O-N 2.91Å; I502-I506 HydrophobicContact CG2-CD1 3.71Å; I502-I506 HydrophobicContact CG2-CG1 4.34Å; I502-I506 WeakPolarHBondContact O-CB 3.37Å; I502-I506 VanDerWaalsContact O-CG1 3.23Å; I502-I506 WeakPolarHBondContact O-CG1 3.42Å; I502-I506 PolarHBondContact O-N 3.49Å
503L89.8Confident88.7Confident49 Ų4983 Ų8326%0.25743%0.434SS..Hα-helixtrans-62.2-41.4177.4-69.5172.9000111.8F7 I499 V500 I506 M507F7-L503 HydrophobicContact CD1-CD2 4.33Å; F7-L503 HydrophobicContact CE1-CD2 3.75Å; I499-L503 HydrophobicContact CG2-CD1 3.99Å; I499-L503 HydrophobicContact CG2-CG 4.39Å; I499-L503 VanDerWaalsContact O-CG 3.32Å; I499-L503 WeakPolarHBondContact O-CG 3.32Å; I499-L503 PolarHBondContact O-N 2.84Å; V500-L503 PolarHBondContact O-N 2.89Å; L503-I506 PolarHBondContact O-N 3.31Å; L503-M507 VanDerWaalsContact O-CG 3.27Å; L503-M507 WeakPolarHBondContact O-CG 3.37Å; L503-M507 PolarHBondContact O-N 2.01Å
504I90.4Very high88.5Confident87 Ų8787 Ų8745%0.44645%0.447SS..Hα-helixtrans-62.4-46.1174.4-68.6166.2000110.7V500 L501 I502 I506 M507 L508V500-I504 HydrophobicContact CG1-CD1 3.92Å; V500-I504 VanDerWaalsContact O-CG1 3.3Å; V500-I504 WeakPolarHBondContact O-CG1 3.42Å; V500-I504 PolarHBondContact O-N 2.87Å; L501-I504 PolarHBondContact O-N 3.34Å; I502-I504 VanDerWaalsContact C-N 3.35Å; I502-I504 PolarHBondContact O-N 3.33Å; I504-I506 VanDerWaalsContact C-N 3.33Å; I504-I506 PolarHBondContact O-N 3.35Å; I504-M507 PolarHBondContact O-N 2.02Å; I504-L508 HydrophobicContact CG2-CD1 3.9Å; I504-L508 HydrophobicContact CG2-CG 4.37Å; I504-L508 WeakPolarHBondContact O-CG 3.4Å; I504-L508 PolarHBondContact O-N 3.02Å
505A90Very high88.1Confident55 Ų5586.3 Ų86.346%0.45545%0.449SS..Hα-helixtrans-61.7-40.6178.600000112.1L501 I502 L508 Y509L501-A505 WeakPolarHBondContact O-CB 3.25Å; L501-A505 PolarHBondContact O-N 3.19Å; I502-A505 PolarHBondContact O-N 2.91Å; A505-L508 PolarHBondContact O-N 3.36Å; A505-Y509 WeakPolarHBondContact O-CB 3.34Å; A505-Y509 PolarHBondContact O-N 2.81Å
506I90.1Very high87.7Confident60 Ų6085.2 Ų85.231%0.30845%0.448SS..Hα-helixtrans-62.6-46.2174.9-70.8169.1000110.6I502 L503 I504 L508 Y509 F510I502-I506 HydrophobicContact CG2-CD1 3.71Å; I502-I506 HydrophobicContact CG2-CG1 4.34Å; I502-I506 WeakPolarHBondContact O-CB 3.37Å; I502-I506 VanDerWaalsContact O-CG1 3.23Å; I502-I506 WeakPolarHBondContact O-CG1 3.42Å; I502-I506 PolarHBondContact O-N 3.49Å; L503-I506 PolarHBondContact O-N 3.31Å; I504-I506 VanDerWaalsContact C-N 3.33Å; I504-I506 PolarHBondContact O-N 3.35Å; I506-L508 PolarHBondContact O-N 3.04Å; I506-Y509 PolarHBondContact O-N 3.16Å; I506-F510 HydrophobicContact CG2-CD2 3.56Å; I506-F510 HydrophobicContact CG2-CE2 3.39Å; I506-F510 WeakPolarHBondContact O-CD2 3.3Å; I506-F510 PolarHBondContact O-N 2.84Å
507M89Confident87.2Confident119 Ų11991.9 Ų91.959%0.58647%0.468SS*.Hα-helixtrans-61.7-42.5177.4-72.8-64.9-68.100112L503 I504 F510 T511L503-M507 VanDerWaalsContact O-CG 3.27Å; L503-M507 WeakPolarHBondContact O-CG 3.37Å; L503-M507 PolarHBondContact O-N 2.01Å; I504-M507 PolarHBondContact O-N 2.02Å; M507-F510 PolarHBondContact O-N 3.28Å; M507-T511 WeakPolarHBondContact O-CB 3.41Å; M507-T511 PolarHBondContact O-N 3.11Å; M507-T511 PolarHBondContact O-OG1 2.83Å
508L90.2Very high86.5Confident101 Ų10190.3 Ų90.353%0.52946%0.462SS..Hα-helixtrans-63.8-45.5175.6-72.2170.5000111.5I504 A505 I506 F510 T511 I512I504-L508 HydrophobicContact CG2-CD1 3.9Å; I504-L508 HydrophobicContact CG2-CG 4.37Å; I504-L508 WeakPolarHBondContact O-CG 3.4Å; I504-L508 PolarHBondContact O-N 3.02Å; A505-L508 PolarHBondContact O-N 3.36Å; I506-L508 PolarHBondContact O-N 3.04Å; L508-F510 VanDerWaalsContact C-N 3.34Å; L508-F510 PolarHBondContact O-N 3.3Å; L508-T511 PolarHBondContact O-N 3.38Å; L508-I512 VanDerWaalsContact O-CG1 3.27Å; L508-I512 WeakPolarHBondContact O-CG1 3.42Å; L508-I512 PolarHBondContact O-N 2.83Å
509Y89.5Confident85.5Confident142 Ų14289.5 Ų89.556%0.55746%0.46SS*.Hα-helixtrans-58.5-44.4176.7177.5-105.7000112A505 I506 I512 L513A505-Y509 WeakPolarHBondContact O-CB 3.34Å; A505-Y509 PolarHBondContact O-N 2.81Å; I506-Y509 PolarHBondContact O-N 3.16Å; Y509-I512 PolarHBondContact O-N 3.33Å; Y509-L513 HydrophobicContact CD1-CD1 3.75Å; Y509-L513 HydrophobicContact CE1-CD1 3.22Å; Y509-L513 HydrophobicContact CE1-CG 4.1Å; Y509-L513 HydrophobicContact CE2-CD1 4.39Å; Y509-L513 HydrophobicContact CE2-CG 4.46Å; Y509-L513 PolarHBondContact O-N 3.14Å
510F87.6Confident84.6Confident98 Ų9894 Ų9443%0.4348%0.478SS..Hα-helixtrans-69.7-34.2176.6-76.4-59.9000113.3I506 M507 L508 I512 L513 K514I506-F510 HydrophobicContact CG2-CD2 3.56Å; I506-F510 HydrophobicContact CG2-CE2 3.39Å; I506-F510 WeakPolarHBondContact O-CD2 3.3Å; I506-F510 PolarHBondContact O-N 2.84Å; M507-F510 PolarHBondContact O-N 3.28Å; L508-F510 VanDerWaalsContact C-N 3.34Å; L508-F510 PolarHBondContact O-N 3.3Å; F510-I512 VanDerWaalsContact C-N 3.35Å; F510-L513 HydrophobicContact CD1-CD1 3.96Å; F510-L513 HydrophobicContact CE1-CD1 4.27Å; F510-L513 PolarHBondContact O-N 3.13Å; F510-K514 WeakPolarHBondContact O-CB 3.4Å; F510-K514 PolarHBondContact O-N 3.28Å
511T85.3Confident83.4Confident77 Ų7796.9 Ų96.947%0.47249%0.486SS..Hα-helixtrans-64-43.5173.8-540000110.3M507 L508 K514 C515M507-T511 WeakPolarHBondContact O-CB 3.41Å; M507-T511 PolarHBondContact O-N 3.11Å; M507-T511 PolarHBondContact O-OG1 2.83Å; L508-T511 PolarHBondContact O-N 3.38Å; T511-K514 PolarHBondContact O-N 3.32Å; T511-C515 PolarHBondContact O-N 3.42Å; T511-C515 PolarHBondContact O-SG 2.93Å; T511-C515 VanDerWaalsContact O-SG 3.36Å
512I86.1Confident82Confident101 Ų10198.8 Ų98.852%0.51849%0.492SS..Hα-helixtrans-62.3-46.7174.2-67.5165.5000110.8L508 Y509 F510 K514 C515 L516L508-I512 VanDerWaalsContact O-CG1 3.27Å; L508-I512 WeakPolarHBondContact O-CG1 3.42Å; L508-I512 PolarHBondContact O-N 2.83Å; Y509-I512 PolarHBondContact O-N 3.33Å; F510-I512 VanDerWaalsContact C-N 3.35Å; I512-K514 VanDerWaalsContact C-N 3.28Å; I512-K514 PolarHBondContact O-N 2.65Å; I512-C515 PolarHBondContact O-N 2.83Å; I512-L516 HydrophobicContact CG2-CD1 3.9Å; I512-L516 HydrophobicContact CG2-CG 4.33Å; I512-L516 WeakPolarHBondContact O-CB 3.27Å; I512-L516 WeakPolarHBondContact O-CG 3.42Å; I512-L516 PolarHBondContact O-N 3.49Å
513L83.6Confident80.4Confident50 Ų50100.8 Ų100.826%0.26250%0.499SS..Hα-helixtrans-59.6-39175.9-83.2171.9000112.5Y509 F510 L516 R517Y509-L513 HydrophobicContact CD1-CD1 3.75Å; Y509-L513 HydrophobicContact CE1-CD1 3.22Å; Y509-L513 HydrophobicContact CE1-CG 4.1Å; Y509-L513 HydrophobicContact CE2-CD1 4.39Å; Y509-L513 HydrophobicContact CE2-CG 4.46Å; Y509-L513 PolarHBondContact O-N 3.14Å; F510-L513 HydrophobicContact CD1-CD1 3.96Å; F510-L513 HydrophobicContact CE1-CD1 4.27Å; F510-L513 PolarHBondContact O-N 3.13Å; L513-L516 PolarHBondContact O-N 3.2Å; L513-R517 WeakPolarHBondContact O-CB 3.29Å; L513-R517 WeakPolarHBondContact O-CG 3.49Å; L513-R517 PolarHBondContact O-N 3.43Å
514K82.1Confident79Confident153 Ų153103 Ų10367%0.66551%0.511SS*.Hα-helixtrans-66.4-45.6176.8-164.7177.8179.7-175.60110.5F510 T511 I512 L516 R517 T518F510-K514 WeakPolarHBondContact O-CB 3.4Å; F510-K514 PolarHBondContact O-N 3.28Å; T511-K514 PolarHBondContact O-N 3.32Å; I512-K514 VanDerWaalsContact C-N 3.28Å; I512-K514 PolarHBondContact O-N 2.65Å; K514-L516 VanDerWaalsContact C-N 3.35Å; K514-L516 PolarHBondContact O-N 2.87Å; K514-R517 PolarHBondContact O-N 2.93Å; K514-T518 PolarHBondContact O-N 2.75Å; K514-T518 PolarHBondContact O-OG1 2.81Å
515C79.6Confident77.4Confident77 Ų77100.1 Ų100.152%0.5250%0.504SS..Hα-helixtrans-60.2-40.6174.3-71.70000112.8T511 I512 T518 S519T511-C515 PolarHBondContact O-N 3.42Å; T511-C515 PolarHBondContact O-SG 2.93Å; T511-C515 VanDerWaalsContact O-SG 3.36Å; I512-C515 PolarHBondContact O-N 2.83Å; C515-T518 WeakPolarHBondContact CA-OG1 3.42Å; C515-T518 PolarHBondContact O-N 2.79Å; C515-T518 PolarHBondContact O-OG1 3.01Å; C515-S519 WeakPolarHBondContact O-CB 3.38Å; C515-S519 PolarHBondContact O-N 2.86Å; C515-S519 PolarHBondContact O-OG 3.28Å
516L80Confident75.8Confident101 Ų101100.7 Ų100.753%0.52950%0.504SS..Hα-helixtrans-68.4-34176.3-72.2171000112.5I512 L513 K514 S519 K520I512-L516 HydrophobicContact CG2-CD1 3.9Å; I512-L516 HydrophobicContact CG2-CG 4.33Å; I512-L516 WeakPolarHBondContact O-CB 3.27Å; I512-L516 WeakPolarHBondContact O-CG 3.42Å; I512-L516 PolarHBondContact O-N 3.49Å; L513-L516 PolarHBondContact O-N 3.2Å; K514-L516 VanDerWaalsContact C-N 3.35Å; K514-L516 PolarHBondContact O-N 2.87Å; L516-S519 PolarHBondContact O-OG 3.4Å; L516-S519 VanDerWaalsContact O-OG 3.08Å; L516-K520 VanDerWaalsContact O-CB 3.31Å; L516-K520 WeakPolarHBondContact O-CB 3.35Å; L516-K520 PolarHBondContact O-N 2.82Å; L516-K520 VanDerWaalsContact O-N 3.12Å
517R76.2Confident74.3Confident180 Ų180102.8 Ų102.868%0.67952%0.515SS*.Hα-helixtrans-71.1-42.4174.8-79-177.4-177.3179.22.1111.8L513 K514 K520 Q521L513-R517 WeakPolarHBondContact O-CB 3.29Å; L513-R517 WeakPolarHBondContact O-CG 3.49Å; L513-R517 PolarHBondContact O-N 3.43Å; K514-R517 PolarHBondContact O-N 2.93Å; R517-K520 PolarHBondContact O-N 3.46Å; R517-Q521 WeakPolarHBondContact O-CB 3.5Å; R517-Q521 WeakPolarHBondContact O-CG 3.19Å; R517-Q521 PolarHBondContact O-N 3Å
518T74.2Confident72.8Confident62 Ų62100.6 Ų100.638%0.3851%0.509SS..Hα-helixtrans-64.9-42.9176.849.30000111K514 C515 K520 Q521 E522K514-T518 PolarHBondContact O-N 2.75Å; K514-T518 PolarHBondContact O-OG1 2.81Å; C515-T518 WeakPolarHBondContact CA-OG1 3.42Å; C515-T518 PolarHBondContact O-N 2.79Å; C515-T518 PolarHBondContact O-OG1 3.01Å; T518-K520 VanDerWaalsContact C-N 3.3Å; T518-K520 PolarHBondContact O-N 3.11Å; T518-Q521 PolarHBondContact O-N 3.33Å; T518-E522 WeakPolarHBondContact O-CG 3.35Å; T518-E522 PolarHBondContact O-N 3.27Å
519S70.5Confident71.3Confident51 Ų5199.4 Ų99.436%0.35751%0.505SS..Hα-helixtrans-63.6-36.6176.476.20000112.3C515 L516 E522 Q523C515-S519 WeakPolarHBondContact O-CB 3.38Å; C515-S519 PolarHBondContact O-N 2.86Å; C515-S519 PolarHBondContact O-OG 3.28Å; L516-S519 PolarHBondContact O-OG 3.4Å; L516-S519 VanDerWaalsContact O-OG 3.08Å; S519-E522 PolarHBondContact O-N 3.36Å; S519-Q523 PolarHBondContact O-N 3.07Å
520K68.8Low69.8Low136 Ų13696.9 Ų96.959%0.59150%0.502SS*.Hα-helixtrans-72.3-33.3176.3-160.8171.3-173175.30112.4L516 R517 T518 N524L516-K520 VanDerWaalsContact O-CB 3.31Å; L516-K520 WeakPolarHBondContact O-CB 3.35Å; L516-K520 PolarHBondContact O-N 2.82Å; L516-K520 VanDerWaalsContact O-N 3.12Å; R517-K520 PolarHBondContact O-N 3.46Å; T518-K520 VanDerWaalsContact C-N 3.3Å; T518-K520 PolarHBondContact O-N 3.11Å; K520-N524 VanDerWaalsContact O-CB 3.32Å; K520-N524 WeakPolarHBondContact O-CB 3.42Å; K520-N524 VanDerWaalsContact O-CG 3.3Å; K520-N524 PolarHBondContact O-N 3.46Å
521Q64.4Low68.4Low139 Ų13998.2 Ų98.265%0.6551%0.511SS*.Hα-helixtrans-69.7-39.4171.8-80.4-178.2-43.200112R517 T518 N524 G525R517-Q521 WeakPolarHBondContact O-CB 3.5Å; R517-Q521 WeakPolarHBondContact O-CG 3.19Å; R517-Q521 PolarHBondContact O-N 3Å; T518-Q521 PolarHBondContact O-N 3.33Å; Q521-N524 PolarHBondContact O-N 3.17Å; Q521-G525 WeakPolarHBondContact O-CA 3.48Å; Q521-G525 PolarHBondContact O-N 3.32Å
522E62.5Low67.3Low147 Ų14799.2 Ų99.269%0.68751%0.513SS*.Hα-helixtrans-64.2-42.8173.4-76.1175.2175.900111.4T518 S519 G525 S526T518-E522 WeakPolarHBondContact O-CG 3.35Å; T518-E522 PolarHBondContact O-N 3.27Å; S519-E522 PolarHBondContact O-N 3.36Å; E522-G525 PolarHBondContact O-N 3.19Å; E522-S526 WeakPolarHBondContact O-CB 3.47Å; E522-S526 PolarHBondContact O-N 3.38Å
523Q58.4Low66.2Low131 Ų13198.4 Ų98.461%0.61251%0.51SS*.Hα-helixtrans-63.1-47.2172.9-82.3-176.9-20.500112.4S519 G525 S526 I527S519-Q523 PolarHBondContact O-N 3.07Å; Q523-G525 VanDerWaalsContact C-N 3.32Å; Q523-G525 PolarHBondContact O-N 2.6Å; Q523-S526 PolarHBondContact O-N 3.46Å; Q523-I527 VanDerWaalsContact O-CG1 3.25Å; Q523-I527 WeakPolarHBondContact O-CG1 3.35Å; Q523-I527 PolarHBondContact O-N 3.1Å
524N59.6Low65.2Low95 Ų95101.1 Ų101.151%0.50852%0.524SS..Hα-helixtrans-65-37.3177.9-78.4-1.2000112.1K520 Q521 I527 T528K520-N524 VanDerWaalsContact O-CB 3.32Å; K520-N524 WeakPolarHBondContact O-CB 3.42Å; K520-N524 VanDerWaalsContact O-CG 3.3Å; K520-N524 PolarHBondContact O-N 3.46Å; Q521-N524 PolarHBondContact O-N 3.17Å; N524-I527 PolarHBondContact O-N 2.91Å; N524-T528 PolarHBondContact O-N 3.4Å; N524-T528 PolarHBondContact O-OG1 3.01Å
525G57.2Low64.4Low28 Ų28100.2 Ų100.229%0.28952%0.522SS..Hα-helixtrans-64.4-45.4174.700000111.7Q521 E522 Q523 I527 T528 T529Q521-G525 WeakPolarHBondContact O-CA 3.48Å; Q521-G525 PolarHBondContact O-N 3.32Å; E522-G525 PolarHBondContact O-N 3.19Å; Q523-G525 VanDerWaalsContact C-N 3.32Å; Q523-G525 PolarHBondContact O-N 2.6Å; G525-I527 PolarHBondContact O-N 2.7Å; G525-T528 WeakPolarHBondContact CA-OG1 2.99Å; G525-T528 PolarHBondContact O-N 3.21Å; G525-T528 PolarHBondContact O-OG1 3.36Å; G525-T528 VanDerWaalsContact O-OG1 3.12Å; G525-T529 WeakPolarHBondContact O-CB 3.33Å; G525-T529 PolarHBondContact O-N 2.91Å; G525-T529 PolarHBondContact O-OG1 3.14Å
526S57.7Low63.6Low66 Ų6699.4 Ų99.446%0.46252%0.517SS..Hα-helixtrans-59.7-46.5174-168.10000111.2E522 Q523 T528 T529 D530E522-S526 WeakPolarHBondContact O-CB 3.47Å; E522-S526 PolarHBondContact O-N 3.38Å; Q523-S526 PolarHBondContact O-N 3.46Å; S526-T528 PolarHBondContact O-N 3.06Å; S526-T529 PolarHBondContact O-N 3.17Å; S526-D530 WeakPolarHBondContact O-CB 3.39Å; S526-D530 PolarHBondContact O-N 3.11Å
527I57.5Low62.8Low104 Ų10499.2 Ų99.253%0.53352%0.517SS..Hα-helixtrans-61.2-43.2177.7-67.6165.1000111.1Q523 N524 G525 D530 M531Q523-I527 VanDerWaalsContact O-CG1 3.25Å; Q523-I527 WeakPolarHBondContact O-CG1 3.35Å; Q523-I527 PolarHBondContact O-N 3.1Å; N524-I527 PolarHBondContact O-N 2.91Å; G525-I527 PolarHBondContact O-N 2.7Å; I527-D530 PolarHBondContact O-N 3.01Å; I527-M531 WeakPolarHBondContact O-CB 3.42Å; I527-M531 PolarHBondContact O-N 3.25Å
528T57.3Low62.3Low74 Ų7494.6 Ų94.645%0.45451%0.508SS..Hα-helixtrans-68.1-35176.924.30000112.5N524 G525 S526 M531 N532N524-T528 PolarHBondContact O-N 3.4Å; N524-T528 PolarHBondContact O-OG1 3.01Å; G525-T528 WeakPolarHBondContact CA-OG1 2.99Å; G525-T528 PolarHBondContact O-N 3.21Å; G525-T528 PolarHBondContact O-OG1 3.36Å; G525-T528 VanDerWaalsContact O-OG1 3.12Å; S526-T528 PolarHBondContact O-N 3.06Å; T528-M531 PolarHBondContact O-N 3.45Å; T528-N532 WeakPolarHBondContact O-CB 3.46Å; T528-N532 VanDerWaalsContact O-CG 3.24Å; T528-N532 PolarHBondContact O-N 2.96Å; T528-N532 PolarHBondContact O-ND2 3.23Å
529T58.5Low61.8Low75 Ų7599 Ų9946%0.4652%0.522SS..Hα-helixtrans-68.7-42.4176.9-44.60000110.8G525 S526 M531 N532 N533G525-T529 WeakPolarHBondContact O-CB 3.33Å; G525-T529 PolarHBondContact O-N 2.91Å; G525-T529 PolarHBondContact O-OG1 3.14Å; S526-T529 PolarHBondContact O-N 3.17Å; T529-M531 VanDerWaalsContact C-N 3.34Å; T529-N532 PolarHBondContact O-N 3Å; T529-N533 WeakPolarHBondContact O-CB 3.47Å; T529-N533 VanDerWaalsContact O-CG 3.32Å; T529-N533 PolarHBondContact O-N 3.01Å; T529-N533 PolarHBondContact O-ND2 3.28Å
530D58.8Low61.4Low90 Ų9099.4 Ų99.448%0.48153%0.525SS..Hα-helixtrans-62.8-41.2173.6-75-27.6000111.4S526 I527 N533 I534S526-D530 WeakPolarHBondContact O-CB 3.39Å; S526-D530 PolarHBondContact O-N 3.11Å; I527-D530 PolarHBondContact O-N 3.01Å; D530-N533 PolarHBondContact O-N 3.17Å; D530-I534 WeakPolarHBondContact O-CD1 3.31Å; D530-I534 VanDerWaalsContact O-CG1 3.23Å; D530-I534 WeakPolarHBondContact O-CG1 3.29Å; D530-I534 PolarHBondContact O-N 3.15Å
531M57.7Low61Low125 Ų12598 Ų9862%0.61652%0.523SS*.Hα-helixtrans-64.4-43.5176.4-131.1172.9173.400112.3I527 T528 T529 I534 E535I527-M531 WeakPolarHBondContact O-CB 3.42Å; I527-M531 PolarHBondContact O-N 3.25Å; T528-M531 PolarHBondContact O-N 3.45Å; T529-M531 VanDerWaalsContact C-N 3.34Å; M531-I534 PolarHBondContact O-N 3.13Å; M531-E535 PolarHBondContact O-N 3.22Å
532N62.5Low60.6Low98 Ų9895.7 Ų95.752%0.52452%0.516SS..Hα-helixtrans-65.6-38.4176.8-74.1-13.8000112T528 T529 I534 E535 S536T528-N532 WeakPolarHBondContact O-CB 3.46Å; T528-N532 VanDerWaalsContact O-CG 3.24Å; T528-N532 PolarHBondContact O-N 2.96Å; T528-N532 PolarHBondContact O-ND2 3.23Å; T529-N532 PolarHBondContact O-N 3Å; N532-I534 VanDerWaalsContact C-N 3.32Å; N532-E535 PolarHBondContact O-N 2.87Å; N532-S536 PolarHBondContact O-N 3.13Å; N532-S536 PolarHBondContact O-OG 2.82Å
533N62.3Low60.5Low84 Ų8493.3 Ų93.345%0.44951%0.508SS..Hα-helixtrans-65.8-35.7174.9-77.8-21.5000111.9T529 D530 S536 N537T529-N533 WeakPolarHBondContact O-CB 3.47Å; T529-N533 VanDerWaalsContact O-CG 3.32Å; T529-N533 PolarHBondContact O-N 3.01Å; T529-N533 PolarHBondContact O-ND2 3.28Å; D530-N533 PolarHBondContact O-N 3.17Å; N533-S536 WeakPolarHBondContact CA-OG 3.48Å; N533-S536 PolarHBondContact O-OG 3.41Å; N533-N537 WeakPolarHBondContact O-CB 3.38Å; N533-N537 PolarHBondContact O-N 3.45Å; N533-N537 PolarHBondContact O-ND2 3.31Å
534I63.7Low60.6Low107 Ų10790.3 Ų90.355%0.54950%0.499SS..Hα-helixtrans-66.6-46.8173.4-68.6164.7000110D530 M531 N532 S536 N537 V538D530-I534 WeakPolarHBondContact O-CD1 3.31Å; D530-I534 VanDerWaalsContact O-CG1 3.23Å; D530-I534 WeakPolarHBondContact O-CG1 3.29Å; D530-I534 PolarHBondContact O-N 3.15Å; M531-I534 PolarHBondContact O-N 3.13Å; N532-I534 VanDerWaalsContact C-N 3.32Å; I534-S536 PolarHBondContact O-N 3.46Å; I534-N537 PolarHBondContact O-N 3.01Å; I534-V538 HydrophobicContact CG2-CG2 4.45Å; I534-V538 VanDerWaalsContact O-CG2 3.3Å; I534-V538 WeakPolarHBondContact O-CG2 3.37Å; I534-V538 PolarHBondContact O-N 3.25Å
535E64.4Low60.4Low135 Ų13590.7 Ų90.763%0.63150%0.5SS*.Hα-helixtrans-61.3-41.9176.7-81.3-168.8165.600112.7M531 N532 V538 K539M531-E535 PolarHBondContact O-N 3.22Å; N532-E535 PolarHBondContact O-N 2.87Å; E535-V538 PolarHBondContact O-N 3.39Å; E535-K539 PolarHBondContact O-N 2.88Å
536S64Low60.4Low59 Ų5993.9 Ų93.941%0.41351%0.511SS..Hα-helixtrans-65.7-38.8177.265.70000112.1N532 N533 I534 K539 S540N532-S536 PolarHBondContact O-N 3.13Å; N532-S536 PolarHBondContact O-OG 2.82Å; N533-S536 WeakPolarHBondContact CA-OG 3.48Å; N533-S536 PolarHBondContact O-OG 3.41Å; I534-S536 PolarHBondContact O-N 3.46Å; S536-K539 PolarHBondContact O-N 3.28Å; S536-S540 VanDerWaalsContact O-CB 3.3Å; S536-S540 WeakPolarHBondContact O-CB 3.24Å; S536-S540 PolarHBondContact O-N 3.01Å
537N63.4Low60.4Low98 Ų9897.7 Ų97.752%0.52452%0.521SS..Hα-helixtrans-67.8-36.7175.7-81.4-20.6000112.1N533 I534 N541N533-N537 WeakPolarHBondContact O-CB 3.38Å; N533-N537 PolarHBondContact O-N 3.45Å; N533-N537 PolarHBondContact O-ND2 3.31Å; I534-N537 PolarHBondContact O-N 3.01Å; N537-N541 VanDerWaalsContact O-CB 3.3Å; N537-N541 WeakPolarHBondContact O-CB 3.36Å; N537-N541 VanDerWaalsContact O-CG 3.29Å; N537-N541 PolarHBondContact O-N 3.34Å
538V65.5Low60.3Low82 Ų8298 Ų9850%0.49752%0.523SS..Hα-helixtrans-65.9-42173.7172.40000110.8I534 E535 N541 N542I534-V538 HydrophobicContact CG2-CG2 4.45Å; I534-V538 VanDerWaalsContact O-CG2 3.3Å; I534-V538 WeakPolarHBondContact O-CG2 3.37Å; I534-V538 PolarHBondContact O-N 3.25Å; E535-V538 PolarHBondContact O-N 3.39Å; V538-N541 PolarHBondContact O-N 2.85Å; V538-N542 WeakPolarHBondContact O-CB 3.37Å; V538-N542 PolarHBondContact O-N 2.94Å
539K63.2Low60.2Low155 Ų155100 Ų10067%0.67453%0.531SS*.Hα-helixtrans-63-47.9174.7-114.7176.1179.3173.90112.2E535 S536 N541 N542 D543E535-K539 PolarHBondContact O-N 2.88Å; S536-K539 PolarHBondContact O-N 3.28Å; K539-N541 VanDerWaalsContact C-N 3.33Å; K539-N541 PolarHBondContact O-N 3.46Å; K539-N542 PolarHBondContact O-N 3.03Å; K539-D543 PolarHBondContact O-N 3.38Å
540S61.8Low60.1Low59 Ų59103.5 Ų103.541%0.41355%0.547SS..Hα-helixtrans-56.4-46.6174.9169.60000111.7S536 N542 D543 T544S536-S540 VanDerWaalsContact O-CB 3.3Å; S536-S540 WeakPolarHBondContact O-CB 3.24Å; S536-S540 PolarHBondContact O-N 3.01Å; S540-N542 VanDerWaalsContact C-N 3.35Å; S540-N542 PolarHBondContact O-N 3.19Å; S540-D543 PolarHBondContact O-N 3.03Å; S540-T544 WeakPolarHBondContact O-CB 3.26Å; S540-T544 PolarHBondContact O-N 3.41Å; S540-T544 PolarHBondContact O-OG1 3.43Å
541N59.7Low59.5Low106 Ų106107.8 Ų107.857%0.56756%0.561SS**Hα-helixtrans-66.4-36.7178.7-77.9-13.5000112N537 V538 K539 T544 L545N537-N541 VanDerWaalsContact O-CB 3.3Å; N537-N541 WeakPolarHBondContact O-CB 3.36Å; N537-N541 VanDerWaalsContact O-CG 3.29Å; N537-N541 PolarHBondContact O-N 3.34Å; V538-N541 PolarHBondContact O-N 2.85Å; K539-N541 VanDerWaalsContact C-N 3.33Å; K539-N541 PolarHBondContact O-N 3.46Å; N541-T544 PolarHBondContact O-N 3.04Å; N541-L545 VanDerWaalsContact O-CB 3.31Å; N541-L545 WeakPolarHBondContact O-CB 3.36Å; N541-L545 PolarHBondContact O-N 3.46Å
542N57.3Low58.6Low92 Ų92109.6 Ų109.649%0.49257%0.57SS.*Hα-helixtrans-66.9-41.2173.5-98.65.1000112.6V538 K539 S540 T544 L545 N546V538-N542 WeakPolarHBondContact O-CB 3.37Å; V538-N542 PolarHBondContact O-N 2.94Å; K539-N542 PolarHBondContact O-N 3.03Å; S540-N542 VanDerWaalsContact C-N 3.35Å; S540-N542 PolarHBondContact O-N 3.19Å; N542-T544 VanDerWaalsContact C-N 3.3Å; N542-T544 PolarHBondContact O-N 2.89Å; N542-L545 PolarHBondContact O-N 3.18Å; N542-N546 WeakPolarHBondContact O-CB 3.02Å; N542-N546 PolarHBondContact O-N 2.97Å; N542-N546 PolarHBondContact O-ND2 3.48Å
543D60.1Low57.9Low96 Ų96114.3 Ų114.351%0.51361%0.606SS.*Hα-helixtrans-65.8-37.4176.4-72.2-21.6000111.1K539 S540 N546 Q547K539-D543 PolarHBondContact O-N 3.38Å; S540-D543 PolarHBondContact O-N 3.03Å; D543-N546 PolarHBondContact O-N 3.18Å; D543-Q547 WeakPolarHBondContact O-CG 3.27Å; D543-Q547 PolarHBondContact O-N 3.3Å
544T59.7Low57.6Low69 Ų69115.9 Ų115.942%0.42361%0.614SS.*Hα-helixtrans-68.6-38.9175.2-44.60000111.4S540 N541 N542 Q547 L548S540-T544 WeakPolarHBondContact O-CB 3.26Å; S540-T544 PolarHBondContact O-N 3.41Å; S540-T544 PolarHBondContact O-OG1 3.43Å; N541-T544 PolarHBondContact O-N 3.04Å; N542-T544 VanDerWaalsContact C-N 3.3Å; N542-T544 PolarHBondContact O-N 2.89Å; T544-Q547 PolarHBondContact O-N 3Å; T544-L548 HydrophobicContact CG2-CD1 4.41Å; T544-L548 PolarHBondContact O-N 3.01Å; T544-L548 VanDerWaalsContact O-N 3.07Å
545L55.9Low57.3Low102 Ų102116.3 Ų116.353%0.53462%0.618SS.*Hα-helixtrans-67.5-39.2176.8-158.478.9000111.7N541 N542 L548 N549N541-L545 VanDerWaalsContact O-CB 3.31Å; N541-L545 WeakPolarHBondContact O-CB 3.36Å; N541-L545 PolarHBondContact O-N 3.46Å; N542-L545 PolarHBondContact O-N 3.18Å; L545-L548 PolarHBondContact O-N 2.87Å; L545-N549 PolarHBondContact O-N 2.94Å; L545-N549 VanDerWaalsContact O-N 3.15Å
546N57.1Low56.9Low96 Ų96115.3 Ų115.351%0.51362%0.617SS.*Hα-helixtrans-65.5-39.3174.4-75-22.6000111.7N542 D543 L548 N549 D550N542-N546 WeakPolarHBondContact O-CB 3.02Å; N542-N546 PolarHBondContact O-N 2.97Å; N542-N546 PolarHBondContact O-ND2 3.48Å; D543-N546 PolarHBondContact O-N 3.18Å; N546-L548 VanDerWaalsContact C-N 3.28Å; N546-L548 PolarHBondContact O-N 2.83Å; N546-N549 PolarHBondContact O-N 3.26Å; N546-D550 PolarHBondContact O-N 3.5Å
547Q57.9Low56.5Low145 Ų145118.6 Ų118.668%0.67863%0.629SS**Hα-helixtrans-68.1-25.1174.4-76-173.211.600114D543 T544D543-Q547 WeakPolarHBondContact O-CG 3.27Å; D543-Q547 PolarHBondContact O-N 3.3Å; T544-Q547 PolarHBondContact O-N 3Å
548L56.3Low56.1Low111 Ų111119.9 Ų119.958%0.58164%0.636SS**Hα-helixtrans-78.2-32.5175.5-96.9146.7000112.7T544 L545 N546 K551T544-L548 HydrophobicContact CG2-CD1 4.41Å; T544-L548 PolarHBondContact O-N 3.01Å; T544-L548 VanDerWaalsContact O-N 3.07Å; L545-L548 PolarHBondContact O-N 2.87Å; N546-L548 VanDerWaalsContact C-N 3.28Å; N546-L548 PolarHBondContact O-N 2.83Å; L548-K551 PolarHBondContact O-N 3.47Å
549N55.4Low55.4Low117 Ų117122.4 Ų122.463%0.62665%0.645SS**Hα-helixtrans-71.2-28.2175.9-85.8-9.8000113.3L545 N546 K551L545-N549 PolarHBondContact O-N 2.94Å; L545-N549 VanDerWaalsContact O-N 3.15Å; N546-N549 PolarHBondContact O-N 3.26Å; N549-K551 PolarHBondContact O-N 3.13Å
550D55.1Low54.9Low148 Ų148120.1 Ų120.179%0.79164%0.643SS**THydrogen-bonded Turntrans-77.20.7175.5-80.3-15.9000113.8N546N546-D550 PolarHBondContact O-N 3.5Å
551K47Very low54.4Low179 Ų179124.8 Ų124.878%0.77866%0.66SS**THydrogen-bonded Turntrans-125.116.7-178.6-82-169.7177.51790115.5L548 N549 P553L548-K551 PolarHBondContact O-N 3.47Å; N549-K551 PolarHBondContact O-N 3.13Å; K551-P553 WeakPolarHBondContact O-CD 3.5Å
552M38.8Very low53.9Low163 Ų163126.3 Ų126.380%0.80367%0.668SS**  trans-94114.6164.4-88.4-174149.300110
553P46.5Very low53.6Low198 Ų198129.5 Ų129.5100%1.28668%0.684SS**  trans-70.90-17930.2-34.2000113.6K551K551-P553 WeakPolarHBondContact O-CD 3.5Å

Retrieved 553 of 553 residues in 202.1 ms (Link to these results)

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