A0A087YKU0_POEFO Loading...

Scavenger receptor class B member 1

AlphaFold DB , UniProt , Accession A0A087YKU0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 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
1M41.5Very low71.2Confident240 Ų24093.3 Ų93.3100%1.18254%0.535SS*.  01180-78.5176-163.100108.8V3M1-V3 PolarHBondContact O-N 3.35Å
2A50.8Low72.7Confident106 Ų10695.6 Ų95.688%0.87653%0.534SS*.  trans-73.8112174.300000109N4A2-N4 PolarHBondContact O-N 3.03Å
3V61.2Low74Confident105 Ų10591.8 Ų91.864%0.63651%0.511SS*.  trans-64.9117.5175.6176.90000108.4M1 K5 V8M1-V3 PolarHBondContact O-N 3.35Å; V3-K5 PolarHBondContact O-N 2.94Å; V3-V8 HydrophobicContact CG1-CG2 3.44Å; V3-V8 VanDerWaalsContact CG1-CG2 3.44Å
4N75.8Confident75.2Confident80 Ų8091.4 Ų91.443%0.42851%0.512SS..  trans-72.598.2178.3-172.8-20.4000109.5A2 S6 K7 V8A2-N4 PolarHBondContact O-N 3.03Å; N4-S6 PolarHBondContact O-N 3.36Å; N4-S6 VanDerWaalsContact O-N 3.12Å; N4-S6 PolarHBondContact OD1-N 3.31Å; N4-S6 PolarHBondContact OD1-OG 3.49Å; N4-K7 HydrophobicContact CB-CB 4.2Å; N4-K7 HydrophobicContact CB-CD 4.21Å; N4-K7 HydrophobicContact CB-CG 4.16Å; N4-K7 PolarHBondContact O-N 3.01Å; N4-V8 PolarHBondContact O-N 3.18Å
5K73.9Confident76.4Confident152 Ų15290.7 Ų90.766%0.66151%0.511SS*.Hα-helixtrans-55.9-28.5-176.1-64.6-177.3178.6-177.90113.4V3 S9 V465V3-K5 PolarHBondContact O-N 2.94Å; K5-S9 WeakPolarHBondContact O-CB 3.39Å; K5-S9 PolarHBondContact O-N 3.25Å; K5-S9 PolarHBondContact O-OG 3.5Å; K5-V465 HydrophobicContact CB-CG1 4.42Å; K5-V465 HydrophobicContact CB-CG2 4.39Å
6S72.3Confident77.4Confident38 Ų3885.1 Ų85.127%0.26648%0.479SS..Hα-helixtrans-75.2-38.7176.671.20000112.5N4 S9 A10N4-S6 PolarHBondContact O-N 3.36Å; N4-S6 VanDerWaalsContact O-N 3.12Å; N4-S6 PolarHBondContact OD1-N 3.31Å; N4-S6 PolarHBondContact OD1-OG 3.49Å; S6-S9 PolarHBondContact O-N 2.78Å; S6-A10 WeakPolarHBondContact O-CB 3.41Å; S6-A10 PolarHBondContact O-N 2.85Å
7K78.5Confident78.3Confident157 Ų15784.5 Ų84.568%0.68348%0.478SS*.Hα-helixtrans-66.3-39.9173.9-69.5-172.6177.5-173.80111.8N4 A10 G11N4-K7 HydrophobicContact CB-CB 4.2Å; N4-K7 HydrophobicContact CB-CD 4.21Å; N4-K7 HydrophobicContact CB-CG 4.16Å; N4-K7 PolarHBondContact O-N 3.01Å; K7-A10 PolarHBondContact O-N 2.8Å; K7-G11 PolarHBondContact O-N 3.44Å
8V80Confident79.2Confident62 Ų6285.8 Ų85.838%0.37648%0.483SS..Hα-helixtrans-65.2-43.6175.51740000111.3V3 N4 A10 G11 F12V3-V8 HydrophobicContact CG1-CG2 3.44Å; V3-V8 VanDerWaalsContact CG1-CG2 3.44Å; N4-V8 PolarHBondContact O-N 3.18Å; V8-A10 PolarHBondContact O-N 2.88Å; V8-G11 PolarHBondContact O-N 3.46Å; V8-F12 HydrophobicContact CG1-CD2 3.82Å; V8-F12 HydrophobicContact CG1-CE2 3.52Å; V8-F12 VanDerWaalsContact O-CD2 3.24Å; V8-F12 WeakPolarHBondContact O-CD2 3.43Å; V8-F12 PolarHBondContact O-N 3.07Å
9S80.6Confident79.9Confident9 Ų983.5 Ų83.56%0.06347%0.471CS..Hα-helixtrans-64.4-39176.9-54.60000112.1K5 S6 G11 F12 I13 V461K5-S9 WeakPolarHBondContact O-CB 3.39Å; K5-S9 PolarHBondContact O-N 3.25Å; K5-S9 PolarHBondContact O-OG 3.5Å; S6-S9 PolarHBondContact O-N 2.78Å; S9-G11 VanDerWaalsContact C-N 3.34Å; S9-G11 PolarHBondContact O-N 3.12Å; S9-F12 PolarHBondContact O-N 3.25Å; S9-I13 WeakPolarHBondContact O-CG1 3.37Å; S9-I13 PolarHBondContact O-N 3.47Å; S9-V461 WeakPolarHBondContact OG-CG1 3.37Å
10A82.9Confident80.6Confident41 Ų4179.8 Ų79.834%0.33945%0.451SS..Hα-helixtrans-62.7-39.2172.800000112.2S6 K7 V8 I13 V14S6-A10 WeakPolarHBondContact O-CB 3.41Å; S6-A10 PolarHBondContact O-N 2.85Å; K7-A10 PolarHBondContact O-N 2.8Å; V8-A10 PolarHBondContact O-N 2.88Å; A10-I13 PolarHBondContact O-N 3.24Å; A10-V14 WeakPolarHBondContact O-CG2 3.4Å; A10-V14 PolarHBondContact O-N 3.31Å; A10-V14 VanDerWaalsContact O-N 3.09Å
11G85.4Confident81.3Confident36 Ų3682 Ų8237%0.37146%0.456SS..Hα-helixtrans-59.2-44.8172.500000112.9K7 V8 S9 I13 V14 V15K7-G11 PolarHBondContact O-N 3.44Å; V8-G11 PolarHBondContact O-N 3.46Å; S9-G11 VanDerWaalsContact C-N 3.34Å; S9-G11 PolarHBondContact O-N 3.12Å; G11-I13 PolarHBondContact O-N 2.99Å; G11-V14 PolarHBondContact O-N 3.47Å; G11-V15 WeakPolarHBondContact O-CG2 3.18Å; G11-V15 PolarHBondContact O-N 3.33Å
12F89.4Confident83.7Confident121 Ų12175.5 Ų75.553%0.53142%0.422SS..Hα-helixtrans-66.8-33.3176.7-78.3-67.4000113.7V8 S9 V15 G16 A458V8-F12 HydrophobicContact CG1-CD2 3.82Å; V8-F12 HydrophobicContact CG1-CE2 3.52Å; V8-F12 VanDerWaalsContact O-CD2 3.24Å; V8-F12 WeakPolarHBondContact O-CD2 3.43Å; V8-F12 PolarHBondContact O-N 3.07Å; S9-F12 PolarHBondContact O-N 3.25Å; F12-V15 PolarHBondContact O-N 2.77Å; F12-G16 PolarHBondContact O-N 3.25Å; F12-A458 HydrophobicContact CB-CB 3.7Å
13I89.8Confident85.6Confident46 Ų4670.5 Ų70.524%0.23638%0.38CS..Hα-helixtrans-62.1-47.2171.9-67.8168000109.9S9 A10 G11 V15 G16 V17 T455 A458 A459 Y462S9-I13 WeakPolarHBondContact O-CG1 3.37Å; S9-I13 PolarHBondContact O-N 3.47Å; A10-I13 PolarHBondContact O-N 3.24Å; G11-I13 PolarHBondContact O-N 2.99Å; I13-V15 PolarHBondContact O-N 3.38Å; I13-G16 PolarHBondContact O-N 3.21Å; I13-V17 HydrophobicContact CG2-CG2 4.38Å; I13-V17 WeakPolarHBondContact O-CB 3.4Å; I13-V17 VanDerWaalsContact O-CG2 3.28Å; I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 2.89Å; I13-T455 HydrophobicContact CG2-CG2 4.42Å; I13-A458 HydrophobicContact CG1-CB 3.61Å; I13-A459 HydrophobicContact CD1-CB 4.45Å; I13-Y462 HydrophobicContact CD1-CG 4.48Å
14V91.3Very high87.1Confident86 Ų8669.3 Ų69.352%0.52137%0.369SS..Hα-helixtrans-61.4-45.5178.5173.90000110.8A10 G11 V17 L18A10-V14 WeakPolarHBondContact O-CG2 3.4Å; A10-V14 PolarHBondContact O-N 3.31Å; A10-V14 VanDerWaalsContact O-N 3.09Å; G11-V14 PolarHBondContact O-N 3.47Å; V14-V17 PolarHBondContact O-N 3.11Å; V14-L18 HydrophobicContact CG1-CD1 3.92Å; V14-L18 HydrophobicContact CG1-CG 4.39Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 3.47Å
15V92.6Very high87.9Confident82 Ų8267.9 Ų67.950%0.49736%0.363SS..Hα-helixtrans-60.3-47.9176.6172.60000111G11 F12 I13 V17 L18 T19G11-V15 WeakPolarHBondContact O-CG2 3.18Å; G11-V15 PolarHBondContact O-N 3.33Å; F12-V15 PolarHBondContact O-N 2.77Å; I13-V15 PolarHBondContact O-N 3.38Å; V15-V17 PolarHBondContact O-N 2.95Å; V15-L18 PolarHBondContact O-N 3.18Å; V15-T19 PolarHBondContact O-N 3.4Å; V15-T19 PolarHBondContact O-OG1 3.18Å
16G92.5Very high88.6Confident0 Ų062.6 Ų62.60%034%0.342CS..Hα-helixtrans-61-42.3179.400000113.2F12 I13 T19 A20 G451 T454 T455F12-G16 PolarHBondContact O-N 3.25Å; I13-G16 PolarHBondContact O-N 3.21Å; G16-T19 PolarHBondContact O-N 3.25Å; G16-A20 WeakPolarHBondContact O-CB 3.25Å; G16-A20 PolarHBondContact O-N 3.05Å; G16-G451 CarbonylContact C-O 3.41Å; G16-G451 CarbonylContact O-C 3.54Å; G16-G451 VanDerWaalsContact O-CA 3.27Å; G16-G451 WeakPolarHBondContact O-CA 3.41Å; G16-T454 VanDerWaalsContact CA-OG1 3.23Å; G16-T454 WeakPolarHBondContact CA-OG1 3.38Å; G16-T455 WeakPolarHBondContact CA-OG1 3.44Å
17V93.2Very high89.5Confident76 Ų7663.1 Ų63.146%0.46134%0.343SS..Hα-helixtrans-64-43.8175.3171.10000111.2I13 V14 V15 A20 F21 T455I13-V17 HydrophobicContact CG2-CG2 4.38Å; I13-V17 WeakPolarHBondContact O-CB 3.4Å; I13-V17 VanDerWaalsContact O-CG2 3.28Å; I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 2.89Å; V14-V17 PolarHBondContact O-N 3.11Å; V15-V17 PolarHBondContact O-N 2.95Å; V17-A20 PolarHBondContact O-N 3.49Å; V17-F21 VanDerWaalsContact O-CB 3.25Å; V17-F21 WeakPolarHBondContact O-CB 3.44Å; V17-F21 PolarHBondContact O-N 3.46Å; V17-T455 HydrophobicContact CG2-CG2 4.04Å; V17-T455 PolarHBondContact N-OG1 2.95Å
18L94.4Very high90Very high107 Ų10763 Ų6356%0.5634%0.343SS*.Hα-helixtrans-64.9-39.5177.1-71.8173.5000112.1V14 V15 F21 F22V14-L18 HydrophobicContact CG1-CD1 3.92Å; V14-L18 HydrophobicContact CG1-CG 4.39Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 3.47Å; V15-L18 PolarHBondContact O-N 3.18Å; L18-F21 PolarHBondContact O-N 2.95Å; L18-F22 WeakPolarHBondContact O-CB 3.43Å; L18-F22 PolarHBondContact O-N 3.36Å
19T93.2Very high90.4Very high42 Ų4263.1 Ų63.126%0.25834%0.344SS..Hα-helixtrans-66.5-43.5176.1-55.60000111.6V15 G16 F22 G23 F447V15-T19 PolarHBondContact O-N 3.4Å; V15-T19 PolarHBondContact O-OG1 3.18Å; G16-T19 PolarHBondContact O-N 3.25Å; T19-F22 PolarHBondContact O-N 3.06Å; T19-G23 PolarHBondContact O-N 2.76Å; T19-F447 HydrophobicContact CG2-CB 4.4Å; T19-F447 HydrophobicContact CG2-CD1 4.13Å
20A93.4Very high90.7Very high10 Ų1062.7 Ų62.78%0.08334%0.341CS..Hα-helixtrans-63.7-43.6175.300000111.3G16 V17 F22 G23 I24G16-A20 WeakPolarHBondContact O-CB 3.25Å; G16-A20 PolarHBondContact O-N 3.05Å; V17-A20 PolarHBondContact O-N 3.49Å; A20-F22 PolarHBondContact O-N 2.92Å; A20-G23 PolarHBondContact O-N 3.23Å; A20-I24 WeakPolarHBondContact O-CG1 3.3Å; A20-I24 PolarHBondContact O-N 3.19Å
21F93.9Very high91Very high127 Ų12764 Ų6456%0.55735%0.346SS*.Hα-helixtrans-60.1-44.9175.3178.4-103.2000111.7V17 L18 G23 I24 V25V17-F21 VanDerWaalsContact O-CB 3.25Å; V17-F21 WeakPolarHBondContact O-CB 3.44Å; V17-F21 PolarHBondContact O-N 3.46Å; L18-F21 PolarHBondContact O-N 2.95Å; F21-G23 PolarHBondContact O-N 2.69Å; F21-I24 PolarHBondContact O-N 3.29Å; F21-V25 HydrophobicContact CD1-CG2 4.14Å; F21-V25 HydrophobicContact CE1-CG2 3.7Å; F21-V25 HydrophobicContact CE2-CG2 4.13Å; F21-V25 HydrophobicContact CZ-CG2 3.7Å; F21-V25 WeakPolarHBondContact O-CG2 3.31Å; F21-V25 PolarHBondContact O-N 3.44Å
22F92.3Very high91.2Very high103 Ų10366.9 Ų66.945%0.45236%0.357SS..Hα-helixtrans-59.9-44.5175.7-179.9-106.4000112.2L18 T19 A20 I24 V25 L26 F447L18-F22 WeakPolarHBondContact O-CB 3.43Å; L18-F22 PolarHBondContact O-N 3.36Å; T19-F22 PolarHBondContact O-N 3.06Å; A20-F22 PolarHBondContact O-N 2.92Å; F22-I24 VanDerWaalsContact C-N 3.34Å; F22-I24 PolarHBondContact O-N 3.03Å; F22-V25 PolarHBondContact O-N 2.81Å; F22-L26 HydrophobicContact CD1-CD1 3.91Å; F22-L26 HydrophobicContact CD1-CG 4.41Å; F22-L26 HydrophobicContact CE1-CD1 3.39Å; F22-L26 HydrophobicContact CE1-CG 4.04Å; F22-L26 HydrophobicContact CE2-CD2 4.48Å; F22-L26 HydrophobicContact CE2-CG 4.37Å; F22-L26 HydrophobicContact CZ-CD1 3.76Å; F22-L26 HydrophobicContact CZ-CD2 4.14Å; F22-L26 HydrophobicContact CZ-CG 4.01Å; F22-L26 WeakPolarHBondContact O-CG 3.48Å; F22-L26 PolarHBondContact O-N 2.91Å; F22-F447 HydrophobicContact CD1-CD2 4.29Å; F22-F447 HydrophobicContact CE1-CD2 4.23Å; F22-F447 HydrophobicContact CE1-CE2 4.07Å
23G91.9Very high91.2Very high0 Ų064.5 Ų64.50%035%0.349CS..Hα-helixtrans-58.7-43.7174.200000112.6T19 A20 F21 L26 V27T19-G23 PolarHBondContact O-N 2.76Å; A20-G23 PolarHBondContact O-N 3.23Å; F21-G23 PolarHBondContact O-N 2.69Å; G23-L26 PolarHBondContact O-N 3.16Å; G23-V27 WeakPolarHBondContact O-CG2 3.46Å; G23-V27 PolarHBondContact O-N 3.38Å; G23-V27 VanDerWaalsContact O-N 3.16Å
24I92.1Very high91.1Very high80 Ų8064.4 Ų64.441%0.4135%0.348SS..Hα-helixtrans-62.9-44.8175.5-67165.8000111.2A20 F21 F22 L26 V27 F28 I448A20-I24 WeakPolarHBondContact O-CG1 3.3Å; A20-I24 PolarHBondContact O-N 3.19Å; F21-I24 PolarHBondContact O-N 3.29Å; F22-I24 VanDerWaalsContact C-N 3.34Å; F22-I24 PolarHBondContact O-N 3.03Å; I24-L26 VanDerWaalsContact C-N 3.28Å; I24-L26 PolarHBondContact O-N 2.93Å; I24-V27 WeakPolarHBondContact O-CB 3.33Å; I24-V27 PolarHBondContact O-N 2.84Å; I24-V27 VanDerWaalsContact O-N 3.12Å; I24-F28 HydrophobicContact CG2-CD2 4.24Å; I24-F28 HydrophobicContact CG2-CE2 3.89Å; I24-F28 VanDerWaalsContact O-CD2 3.27Å; I24-F28 WeakPolarHBondContact O-CD2 3.44Å; I24-F28 PolarHBondContact O-N 3.43Å; I24-I448 HydrophobicContact CG1-CD1 4.22Å; I24-I448 HydrophobicContact CG1-CG1 4.29Å
25V92.2Very high91.1Very high51 Ų5163.6 Ų63.631%0.30934%0.341SS..Hα-helixtrans-58.7-42.8176.5170.10000110.6F21 F22 V27 F28 V29F21-V25 HydrophobicContact CD1-CG2 4.14Å; F21-V25 HydrophobicContact CE1-CG2 3.7Å; F21-V25 HydrophobicContact CE2-CG2 4.13Å; F21-V25 HydrophobicContact CZ-CG2 3.7Å; F21-V25 WeakPolarHBondContact O-CG2 3.31Å; F21-V25 PolarHBondContact O-N 3.44Å; F22-V25 PolarHBondContact O-N 2.81Å; V25-V27 VanDerWaalsContact C-N 3.28Å; V25-V27 PolarHBondContact O-N 2.66Å; V25-F28 PolarHBondContact O-N 3.15Å; V25-F28 VanDerWaalsContact O-N 3.15Å; V25-V29 HydrophobicContact CG1-CG2 3.82Å; V25-V29 WeakPolarHBondContact O-CB 3.04Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.23Å
26L89.7Confident91Very high40 Ų4062.9 Ų62.921%0.20933%0.334CS..Hα-helixtrans-64.1-29.5177.5-71.9176.8000113.3F22 G23 I24 F28 G30 Q444 F447F22-L26 HydrophobicContact CD1-CD1 3.91Å; F22-L26 HydrophobicContact CD1-CG 4.41Å; F22-L26 HydrophobicContact CE1-CD1 3.39Å; F22-L26 HydrophobicContact CE1-CG 4.04Å; F22-L26 HydrophobicContact CE2-CD2 4.48Å; F22-L26 HydrophobicContact CE2-CG 4.37Å; F22-L26 HydrophobicContact CZ-CD1 3.76Å; F22-L26 HydrophobicContact CZ-CD2 4.14Å; F22-L26 HydrophobicContact CZ-CG 4.01Å; F22-L26 WeakPolarHBondContact O-CG 3.48Å; F22-L26 PolarHBondContact O-N 2.91Å; G23-L26 PolarHBondContact O-N 3.16Å; I24-L26 VanDerWaalsContact C-N 3.28Å; I24-L26 PolarHBondContact O-N 2.93Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 2.98Å; L26-G30 VanDerWaalsContact O-CA 3.26Å; L26-G30 WeakPolarHBondContact O-CA 3.17Å; L26-G30 PolarHBondContact O-N 3.39Å; L26-Q444 HydrophobicContact CB-CG 3.61Å; L26-Q444 HydrophobicContact CD1-CG 4.47Å; L26-Q444 PolarHBondContact O-NE2 3.39Å; L26-F447 HydrophobicContact CD1-CD2 4.06Å; L26-F447 HydrophobicContact CD1-CE2 4.3Å
27V89.8Confident90.8Very high49 Ų4967.1 Ų67.130%0.29735%0.354SS..Hα-helixtrans-62.9-37.8173.8172.60000111.3G23 I24 V25 P31 Q444 I448G23-V27 WeakPolarHBondContact O-CG2 3.46Å; G23-V27 PolarHBondContact O-N 3.38Å; G23-V27 VanDerWaalsContact O-N 3.16Å; I24-V27 WeakPolarHBondContact O-CB 3.33Å; I24-V27 PolarHBondContact O-N 2.84Å; I24-V27 VanDerWaalsContact O-N 3.12Å; V25-V27 VanDerWaalsContact C-N 3.28Å; V25-V27 PolarHBondContact O-N 2.66Å; V27-P31 WeakPolarHBondContact O-CD 3.44Å; V27-Q444 HydrophobicContact CG2-CB 4Å; V27-Q444 HydrophobicContact CG2-CG 4.42Å; V27-I448 HydrophobicContact CG2-CD1 4.01Å
28F89.3Confident90.7Very high155 Ų15563.9 Ų63.968%0.6833%0.334SS*.Hα-helixtrans-83.6-37.8178.3-67.6-75.5000113I24 V25 L26I24-F28 HydrophobicContact CG2-CD2 4.24Å; I24-F28 HydrophobicContact CG2-CE2 3.89Å; I24-F28 VanDerWaalsContact O-CD2 3.27Å; I24-F28 WeakPolarHBondContact O-CD2 3.44Å; I24-F28 PolarHBondContact O-N 3.43Å; V25-F28 PolarHBondContact O-N 3.15Å; V25-F28 VanDerWaalsContact O-N 3.15Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 2.98Å
29V89.4Confident90.7Very high64 Ų6460.6 Ų60.639%0.38832%0.319SS..Hα-helixtrans-84-28.9-176177.30000112.1V25 V32 I33V25-V29 HydrophobicContact CG1-CG2 3.82Å; V25-V29 WeakPolarHBondContact O-CB 3.04Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.23Å; V29-V32 WeakPolarHBondContact O-CB 3.46Å; V29-V32 PolarHBondContact O-N 2.82Å; V29-I33 HydrophobicContact CG1-CD1 3.7Å; V29-I33 HydrophobicContact CG1-CG1 3.98Å; V29-I33 WeakPolarHBondContact O-CG1 3.49Å; V29-I33 PolarHBondContact O-N 2.88Å
30G86.8Confident90.5Very high1 Ų163.8 Ų63.81%0.0133%0.329CS..Hα-helixtrans-55.2-53.7-178.200000113.5L26 V32 I33 I34L26-G30 VanDerWaalsContact O-CA 3.26Å; L26-G30 WeakPolarHBondContact O-CA 3.17Å; L26-G30 PolarHBondContact O-N 3.39Å; G30-V32 VanDerWaalsContact C-N 3.29Å; G30-V32 PolarHBondContact O-N 2.86Å; G30-I33 PolarHBondContact O-N 2.84Å; G30-I33 VanDerWaalsContact O-N 3.15Å; G30-I34 WeakPolarHBondContact O-CG1 3.39Å; G30-I34 PolarHBondContact O-N 3.45Å
31P87.9Confident90.3Very high67 Ų6767.2 Ų67.244%0.43535%0.346SS..Hα-helixtrans-56.8-40.7175.6-26.935.7000113V27 I33 I34 D35V27-P31 WeakPolarHBondContact O-CD 3.44Å; P31-I33 VanDerWaalsContact C-N 3.34Å; P31-I33 PolarHBondContact O-N 3.48Å; P31-I34 PolarHBondContact O-N 3.43Å; P31-D35 PolarHBondContact O-N 3.24Å
32V90.3Very high90.2Very high98 Ų9862 Ų6259%0.59433%0.325SS*.Hα-helixtrans-63.8-39.3178.1-179.30000111.6V29 G30 D36V29-V32 WeakPolarHBondContact O-CB 3.46Å; V29-V32 PolarHBondContact O-N 2.82Å; G30-V32 VanDerWaalsContact C-N 3.29Å; G30-V32 PolarHBondContact O-N 2.86Å; V32-D36 WeakPolarHBondContact O-CB 3.49Å; V32-D36 PolarHBondContact O-N 2.92Å
33I88.9Confident90.3Very high71 Ų7158.6 Ų58.636%0.36431%0.311SS..Hα-helixtrans-64.8-42.5174.7-68.3170.7000110.4V29 G30 P31 D36 Q37V29-I33 HydrophobicContact CG1-CD1 3.7Å; V29-I33 HydrophobicContact CG1-CG1 3.98Å; V29-I33 WeakPolarHBondContact O-CG1 3.49Å; V29-I33 PolarHBondContact O-N 2.88Å; G30-I33 PolarHBondContact O-N 2.84Å; G30-I33 VanDerWaalsContact O-N 3.15Å; P31-I33 VanDerWaalsContact C-N 3.34Å; P31-I33 PolarHBondContact O-N 3.48Å; I33-D36 PolarHBondContact O-N 3.39Å; I33-Q37 HydrophobicContact CG2-CG 4.38Å; I33-Q37 VanDerWaalsContact O-CG 3.29Å; I33-Q37 WeakPolarHBondContact O-CG 3.18Å; I33-Q37 PolarHBondContact O-N 3.14Å
34I88Confident90.4Very high43 Ų4358.8 Ų58.822%0.22131%0.312CS..Hα-helixtrans-61.8-48.7178.5-67.5167.4000110G30 P31 D36 Q37 V38 L376 P437G30-I34 WeakPolarHBondContact O-CG1 3.39Å; G30-I34 PolarHBondContact O-N 3.45Å; P31-I34 PolarHBondContact O-N 3.43Å; I34-D36 VanDerWaalsContact C-N 3.33Å; I34-D36 PolarHBondContact O-N 3.29Å; I34-Q37 PolarHBondContact O-N 3.04Å; I34-Q37 VanDerWaalsContact O-N 3.15Å; I34-V38 HydrophobicContact CG2-CG2 4.38Å; I34-V38 VanDerWaalsContact O-CG2 3.3Å; I34-V38 WeakPolarHBondContact O-CG2 3.31Å; I34-V38 PolarHBondContact O-N 2.67Å; I34-L376 HydrophobicContact CG2-CD2 4.06Å; I34-P437 HydrophobicContact CD1-CB 4.07Å
35D91Very high90.5Very high70 Ų7056.6 Ų56.637%0.37430%0.301SS..Hα-helixtrans-59.9-43.1178.6-71.4-6.2000111.4P31 Q37 V38 V39 F264P31-D35 PolarHBondContact O-N 3.24Å; D35-Q37 PolarHBondContact O-N 3.03Å; D35-V38 PolarHBondContact O-N 2.85Å; D35-V39 WeakPolarHBondContact O-CG2 3.43Å; D35-V39 PolarHBondContact O-N 3.16Å; D35-F264 HydrophobicContact CB-CE1 3.99Å; D35-F264 HydrophobicContact CB-CZ 4.12Å; D35-F264 WeakPolarHBondContact OD1-CE1 3.45Å
36D90.9Very high90.5Very high67 Ų6757 Ų5736%0.35830%0.304SS..Hα-helixtrans-62.2-40.7174.917473.6000112.5V32 I33 I34 V39 K40V32-D36 WeakPolarHBondContact O-CB 3.49Å; V32-D36 PolarHBondContact O-N 2.92Å; I33-D36 PolarHBondContact O-N 3.39Å; I34-D36 VanDerWaalsContact C-N 3.33Å; I34-D36 PolarHBondContact O-N 3.29Å; D36-V39 PolarHBondContact O-N 2.97Å; D36-K40 WeakPolarHBondContact O-CB 3.35Å; D36-K40 WeakPolarHBondContact O-CG 3.44Å; D36-K40 PolarHBondContact O-N 2.87Å; D36-K40 VanDerWaalsContact OD1-CE 3.31Å; D36-K40 WeakPolarHBondContact OD1-CE 3.25Å; D36-K40 IonicContact OD1-NZ 3.96Å; D36-K40 PolarHBondContact OD1-NZ 3.07Å; D36-K40 VanDerWaalsContact OD2-CE 3.26Å; D36-K40 WeakPolarHBondContact OD2-CE 3.45Å; D36-K40 IonicContact OD2-NZ 3.98Å; D36-K40 PolarHBondContact OD2-NZ 3.37Å
37Q88.8Confident90.5Very high89 Ų8964 Ų6442%0.41633%0.333SS..Hα-helixtrans-66-39.2175-72-59.5-46.300112.1I33 I34 D35 K40 N41I33-Q37 HydrophobicContact CG2-CG 4.38Å; I33-Q37 VanDerWaalsContact O-CG 3.29Å; I33-Q37 WeakPolarHBondContact O-CG 3.18Å; I33-Q37 PolarHBondContact O-N 3.14Å; I34-Q37 PolarHBondContact O-N 3.04Å; I34-Q37 VanDerWaalsContact O-N 3.15Å; D35-Q37 PolarHBondContact O-N 3.03Å; Q37-K40 PolarHBondContact O-N 3.49Å; Q37-N41 WeakPolarHBondContact O-CB 3.36Å; Q37-N41 PolarHBondContact O-N 2.99Å; Q37-N41 PolarHBondContact O-ND2 3.38Å
38V91.3Very high90.5Very high8 Ų863.7 Ų63.75%0.04833%0.33CS..Hα-helixtrans-61.5-48.2175169.80000109.8I34 D35 K40 N41 T42 P263 F264 L376 T377I34-V38 HydrophobicContact CG2-CG2 4.38Å; I34-V38 VanDerWaalsContact O-CG2 3.3Å; I34-V38 WeakPolarHBondContact O-CG2 3.31Å; I34-V38 PolarHBondContact O-N 2.67Å; D35-V38 PolarHBondContact O-N 2.85Å; V38-K40 PolarHBondContact O-N 2.82Å; V38-N41 PolarHBondContact O-N 2.9Å; V38-T42 HydrophobicContact CG1-CG2 4.29Å; V38-T42 WeakPolarHBondContact O-CB 3.29Å; V38-T42 VanDerWaalsContact O-CG2 3.29Å; V38-T42 WeakPolarHBondContact O-CG2 3.14Å; V38-T42 PolarHBondContact O-N 2.59Å; V38-T42 PolarHBondContact O-OG1 2.86Å; V38-P263 HydrophobicContact CG1-CB 3.9Å; V38-F264 HydrophobicContact CB-CE1 4.47Å; V38-F264 HydrophobicContact CB-CZ 4.11Å; V38-F264 HydrophobicContact CG1-CE1 4.22Å; V38-F264 HydrophobicContact CG1-CE2 4.37Å; V38-F264 HydrophobicContact CG1-CZ 3.83Å; V38-L376 HydrophobicContact CG1-CG 4.45Å; V38-L376 WeakPolarHBondContact CG1-O 3.1Å; V38-L376 HydrophobicContact CG2-CD1 4.41Å; V38-L376 HydrophobicContact CG2-CD2 3.87Å; V38-L376 HydrophobicContact CG2-CG 3.83Å; V38-T377 HydrophobicContact CG1-CG2 4.3Å; V38-T377 HydrophobicContact CG2-CG2 4.47Å
39V93Very high90.3Very high38 Ų3862.1 Ų62.123%0.2333%0.329CS..Hα-helixtrans-57.6-50.2176.9172.70000110.8D35 D36 N41 T42 I43 I227 F264D35-V39 WeakPolarHBondContact O-CG2 3.43Å; D35-V39 PolarHBondContact O-N 3.16Å; D36-V39 PolarHBondContact O-N 2.97Å; V39-N41 VanDerWaalsContact C-N 3.25Å; V39-N41 PolarHBondContact O-N 3.35Å; V39-T42 PolarHBondContact O-N 2.94Å; V39-T42 PolarHBondContact O-OG1 3.06Å; V39-I43 HydrophobicContact CG1-CD1 3.69Å; V39-I43 HydrophobicContact CG1-CG1 4.23Å; V39-I43 VanDerWaalsContact O-CG1 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 2.96Å; V39-I227 HydrophobicContact CG1-CB 4.34Å; V39-I227 HydrophobicContact CG1-CG1 4.4Å; V39-I227 HydrophobicContact CG2-CB 4.4Å; V39-I227 HydrophobicContact CG2-CG1 4.23Å; V39-I227 HydrophobicContact CG2-CG2 4.18Å; V39-F264 HydrophobicContact CG2-CE2 3.79Å; V39-F264 HydrophobicContact CG2-CZ 3.93Å
40K90.1Very high89.9Confident108 Ų10863.9 Ų63.947%0.4734%0.335SS..Hα-helixtrans-61.4-30.8-179-76.1171.7178.5164.80114.2D36 Q37 V38 N48D36-K40 WeakPolarHBondContact O-CB 3.35Å; D36-K40 WeakPolarHBondContact O-CG 3.44Å; D36-K40 PolarHBondContact O-N 2.87Å; D36-K40 VanDerWaalsContact OD1-CE 3.31Å; D36-K40 WeakPolarHBondContact OD1-CE 3.25Å; D36-K40 IonicContact OD1-NZ 3.96Å; D36-K40 PolarHBondContact OD1-NZ 3.07Å; D36-K40 VanDerWaalsContact OD2-CE 3.26Å; D36-K40 WeakPolarHBondContact OD2-CE 3.45Å; D36-K40 IonicContact OD2-NZ 3.98Å; D36-K40 PolarHBondContact OD2-NZ 3.37Å; Q37-K40 PolarHBondContact O-N 3.49Å; V38-K40 PolarHBondContact O-N 2.82Å; K40-N48 PolarHBondContact O-ND2 3.38Å; K40-N48 VanDerWaalsContact O-ND2 3.16Å
41N88.4Confident89.7Confident82 Ų8264.8 Ų64.844%0.43934%0.341SS..Hα-helixtrans-93.7-7.3-178.9-68.7-44.8000113.8Q37 V38 V39 N48 S51Q37-N41 WeakPolarHBondContact O-CB 3.36Å; Q37-N41 PolarHBondContact O-N 2.99Å; Q37-N41 PolarHBondContact O-ND2 3.38Å; V38-N41 PolarHBondContact O-N 2.9Å; V39-N41 VanDerWaalsContact C-N 3.25Å; V39-N41 PolarHBondContact O-N 3.35Å; N41-N48 PolarHBondContact OD1-ND2 3.27Å; N41-S51 WeakPolarHBondContact O-CB 3.19Å
42T91.6Very high89.9Confident19 Ų1963.3 Ų63.312%0.11733%0.328CS..Hα-helixtrans-107.4-22.6178500000112.9V38 V39 I44 I227V38-T42 HydrophobicContact CG1-CG2 4.29Å; V38-T42 WeakPolarHBondContact O-CB 3.29Å; V38-T42 VanDerWaalsContact O-CG2 3.29Å; V38-T42 WeakPolarHBondContact O-CG2 3.14Å; V38-T42 PolarHBondContact O-N 2.59Å; V38-T42 PolarHBondContact O-OG1 2.86Å; V39-T42 PolarHBondContact O-N 2.94Å; V39-T42 PolarHBondContact O-OG1 3.06Å; T42-I44 PolarHBondContact O-N 3.15Å; T42-I227 VanDerWaalsContact OG1-CD1 3.28Å; T42-I227 WeakPolarHBondContact OG1-CD1 3.41Å
43I94.5Very high89.8Confident31 Ų3161.6 Ų61.616%0.15932%0.317CS..SBendtrans-60.1134.7169.7-69.2169.6000109.8V39 D45 R224 I227V39-I43 HydrophobicContact CG1-CD1 3.69Å; V39-I43 HydrophobicContact CG1-CG1 4.23Å; V39-I43 VanDerWaalsContact O-CG1 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 2.96Å; I43-D45 HydrophobicContact CG2-CB 4.21Å; I43-D45 PolarHBondContact O-N 3.27Å; I43-R224 HydrophobicContact CG2-CB 4.48Å; I43-I227 HydrophobicContact CG1-CD1 3.88Å
44I94.8Very high89.6Confident4 Ų461.6 Ų61.62%0.02132%0.317CS..  trans-78.291172-50.8172.6000108.3T42 Y52 W55 F104 V110 I220 T222 V230T42-I44 PolarHBondContact O-N 3.15Å; I44-Y52 HydrophobicContact CG2-CD2 4.21Å; I44-Y52 HydrophobicContact CG2-CE2 4.44Å; I44-W55 HydrophobicContact CD1-CD2 4.36Å; I44-W55 HydrophobicContact CD1-CZ2 4.09Å; I44-W55 HydrophobicContact CG1-CG 4.46Å; I44-W55 HydrophobicContact CG2-CD2 3.9Å; I44-W55 HydrophobicContact CG2-CE3 3.88Å; I44-W55 HydrophobicContact CG2-CG 4.48Å; I44-W55 HydrophobicContact CG2-CH2 4.32Å; I44-W55 HydrophobicContact CG2-CZ2 4.34Å; I44-W55 HydrophobicContact CG2-CZ3 4.1Å; I44-F104 HydrophobicContact CG2-CE1 4.08Å; I44-F104 HydrophobicContact CG2-CZ 4.15Å; I44-V110 HydrophobicContact CD1-CG1 4.16Å; I44-I220 HydrophobicContact CD1-CD1 3.62Å; I44-I220 HydrophobicContact CD1-CG1 4.35Å; I44-T222 HydrophobicContact CB-CG2 4.37Å; I44-T222 PolarHBondContact N-O 3.34Å; I44-V230 HydrophobicContact CD1-CG2 4.48Å; I44-V230 HydrophobicContact CG1-CG2 4.21Å
45D93.5Very high89.7Confident34 Ų3460.1 Ų60.118%0.18231%0.308CS..  trans-122120.1175.3-161-43.7000111I43 K47 N48 R224I43-D45 HydrophobicContact CG2-CB 4.21Å; I43-D45 PolarHBondContact O-N 3.27Å; D45-K47 PolarHBondContact O-N 3.4Å; D45-K47 VanDerWaalsContact OD1-CB 3.25Å; D45-K47 WeakPolarHBondContact OD1-CB 3.46Å; D45-K47 WeakPolarHBondContact OD1-CG 3.28Å; D45-K47 PolarHBondContact OD1-N 3.46Å; D45-N48 PolarHBondContact O-N 3.12Å; D45-R224 IonicContact OD1-NH2 3.94Å; D45-R224 IonicContact OD2-CZ 3.05Å; D45-R224 IonicContact OD2-NE 3.62Å; D45-R224 IonicContact OD2-NH2 2.94Å; D45-R224 PolarHBondContact OD2-NH2 2.9Å
46P91.6Very high89.7Confident59 Ų5959.7 Ų59.738%0.38330%0.303SS..THydrogen-bonded Turntrans-63.5-12.2178.227.9-35.1000113.5Y52 F104P46-Y52 HydrophobicContact CB-CD1 4.35Å; P46-Y52 HydrophobicContact CB-CD2 4.41Å; P46-Y52 HydrophobicContact CB-CE1 4.24Å; P46-Y52 HydrophobicContact CB-CE2 4.33Å; P46-Y52 HydrophobicContact CB-CG 4.42Å; P46-F104 HydrophobicContact CB-CE2 4.15Å; P46-F104 HydrophobicContact CB-CZ 4.23Å; P46-F104 HydrophobicContact CG-CD2 4.41Å; P46-F104 HydrophobicContact CG-CE1 4.41Å; P46-F104 HydrophobicContact CG-CE2 3.96Å; P46-F104 HydrophobicContact CG-CZ 3.95Å
47K91.3Very high89.4Confident186 Ų18659.2 Ų59.281%0.80930%0.301SS*.THydrogen-bonded Turntrans-78.2-21.6172.4-61.8177.1179.6-179.90113.1D45 D49D45-K47 PolarHBondContact O-N 3.4Å; D45-K47 VanDerWaalsContact OD1-CB 3.25Å; D45-K47 WeakPolarHBondContact OD1-CB 3.46Å; D45-K47 WeakPolarHBondContact OD1-CG 3.28Å; D45-K47 PolarHBondContact OD1-N 3.46Å; K47-D49 PolarHBondContact O-N 3.15Å
48N88.4Confident89Confident43 Ų4356.6 Ų56.623%0.2329%0.289CS..SBendtrans-92.984.7174.6-174.6-17.9000109.1K40 N41 D45 L50 S51 Y52K40-N48 PolarHBondContact O-ND2 3.38Å; K40-N48 VanDerWaalsContact O-ND2 3.16Å; N41-N48 PolarHBondContact OD1-ND2 3.27Å; D45-N48 PolarHBondContact O-N 3.12Å; N48-L50 VanDerWaalsContact C-N 3.28Å; N48-L50 PolarHBondContact O-N 2.92Å; N48-S51 VanDerWaalsContact CB-OG 3.3Å; N48-S51 WeakPolarHBondContact CB-OG 3.32Å; N48-S51 PolarHBondContact ND2-OG 3.11Å; N48-S51 PolarHBondContact O-N 2.91Å; N48-S51 PolarHBondContact O-OG 3.32Å; N48-S51 PolarHBondContact OD1-N 2.8Å; N48-S51 PolarHBondContact OD1-OG 3.08Å; N48-Y52 VanDerWaalsContact O-CB 3.22Å; N48-Y52 WeakPolarHBondContact O-CB 3.5Å; N48-Y52 PolarHBondContact O-N 3.49Å
49D85Confident88.3Confident122 Ų12259.2 Ų59.265%0.65231%0.306SS*.Hα-helixtrans-51-43.2-171.8-171.966000113.4K47 T53K47-D49 PolarHBondContact O-N 3.15Å; D49-T53 WeakPolarHBondContact O-CB 3.41Å; D49-T53 PolarHBondContact O-N 3.28Å; D49-T53 PolarHBondContact O-OG1 3.47Å
50L81.4Confident87.7Confident102 Ų10258.7 Ų58.753%0.53430%0.303SS..Hα-helixtrans-64.9-58.1-178.8-176.267.6000111.8N48 Y52 T53 M54N48-L50 VanDerWaalsContact C-N 3.28Å; N48-L50 PolarHBondContact O-N 2.92Å; L50-Y52 VanDerWaalsContact C-N 3.33Å; L50-Y52 PolarHBondContact O-N 2.92Å; L50-T53 PolarHBondContact O-N 3.46Å; L50-M54 HydrophobicContact CD1-CE 3.7Å; L50-M54 HydrophobicContact CG-CE 4.1Å; L50-M54 WeakPolarHBondContact O-CG 3.41Å; L50-M54 PolarHBondContact O-N 3.4Å; L50-M54 VanDerWaalsContact O-N 3.11Å
51S83.9Confident87.2Confident19 Ų1956 Ų5613%0.13330%0.296CS..Hα-helixtrans-64.9-38.1-17765.70000112.2N41 N48 M54 W55N41-S51 WeakPolarHBondContact O-CB 3.19Å; N48-S51 VanDerWaalsContact CB-OG 3.3Å; N48-S51 WeakPolarHBondContact CB-OG 3.32Å; N48-S51 PolarHBondContact ND2-OG 3.11Å; N48-S51 PolarHBondContact O-N 2.91Å; N48-S51 PolarHBondContact O-OG 3.32Å; N48-S51 PolarHBondContact OD1-N 2.8Å; N48-S51 PolarHBondContact OD1-OG 3.08Å; S51-M54 PolarHBondContact O-N 2.79Å; S51-W55 WeakPolarHBondContact O-CB 3.19Å; S51-W55 PolarHBondContact O-N 2.95Å
52Y90.6Very high87.3Confident37 Ų3753.9 Ų53.915%0.14528%0.284CS..Hα-helixtrans-68.7-41.8-180-179-112.5000111.8I44 P46 N48 L50 W55 K56 F104I44-Y52 HydrophobicContact CG2-CD2 4.21Å; I44-Y52 HydrophobicContact CG2-CE2 4.44Å; P46-Y52 HydrophobicContact CB-CD1 4.35Å; P46-Y52 HydrophobicContact CB-CD2 4.41Å; P46-Y52 HydrophobicContact CB-CE1 4.24Å; P46-Y52 HydrophobicContact CB-CE2 4.33Å; P46-Y52 HydrophobicContact CB-CG 4.42Å; N48-Y52 VanDerWaalsContact O-CB 3.22Å; N48-Y52 WeakPolarHBondContact O-CB 3.5Å; N48-Y52 PolarHBondContact O-N 3.49Å; L50-Y52 VanDerWaalsContact C-N 3.33Å; L50-Y52 PolarHBondContact O-N 2.92Å; Y52-W55 AromaticContact CD2-CE3 3.83Å; Y52-W55 HydrophobicContact CD2-CE3 3.83Å; Y52-W55 HydrophobicContact CD2-CZ3 4.19Å; Y52-W55 AromaticContact CE2-CE3 3.64Å; Y52-W55 HydrophobicContact CE2-CE3 3.64Å; Y52-W55 AromaticContact CE2-CZ3 3.53Å; Y52-W55 HydrophobicContact CE2-CZ3 3.53Å; Y52-W55 PolarHBondContact O-N 3.17Å; Y52-K56 HydrophobicContact CE1-CD 4.37Å; Y52-K56 VanDerWaalsContact O-CB 3.26Å; Y52-K56 WeakPolarHBondContact O-CB 3.46Å; Y52-K56 PolarHBondContact O-N 3.4Å; Y52-F104 HydrophobicContact CD2-CZ 4.3Å; Y52-F104 AromaticContact CE2-CE2 3.92Å; Y52-F104 HydrophobicContact CE2-CE2 3.92Å; Y52-F104 AromaticContact CE2-CZ 3.58Å; Y52-F104 HydrophobicContact CE2-CZ 3.58Å
53T88.3Confident87.5Confident62 Ų6253.8 Ų53.838%0.3828%0.281SS..Hα-helixtrans-62.8-44.7175.9-61.60000110.9D49 L50 W55 K56 D57D49-T53 WeakPolarHBondContact O-CB 3.41Å; D49-T53 PolarHBondContact O-N 3.28Å; D49-T53 PolarHBondContact O-OG1 3.47Å; L50-T53 PolarHBondContact O-N 3.46Å; T53-W55 VanDerWaalsContact C-N 3.31Å; T53-W55 PolarHBondContact O-N 3.17Å; T53-K56 PolarHBondContact O-N 3.11Å; T53-D57 PolarHBondContact O-N 2.85Å
54M85.1Confident87.5Confident71 Ų7152.4 Ų52.435%0.3528%0.275SS..Hα-helixtrans-62.2-36.7176.5-70.1-179.2176.400113L50 S51 P59L50-M54 HydrophobicContact CD1-CE 3.7Å; L50-M54 HydrophobicContact CG-CE 4.1Å; L50-M54 WeakPolarHBondContact O-CG 3.41Å; L50-M54 PolarHBondContact O-N 3.4Å; L50-M54 VanDerWaalsContact O-N 3.11Å; S51-M54 PolarHBondContact O-N 2.79Å; M54-P59 HydrophobicContact CG-CG 4.34Å
55W89.8Confident87.7Confident11 Ų1152.6 Ų52.64%0.04228%0.276CS..Hα-helixtrans-70.3-41.2176.4169.977.4000112.7I44 S51 Y52 T53 K99 I102 V110 Y112 I220 H231I44-W55 HydrophobicContact CD1-CD2 4.36Å; I44-W55 HydrophobicContact CD1-CZ2 4.09Å; I44-W55 HydrophobicContact CG1-CG 4.46Å; I44-W55 HydrophobicContact CG2-CD2 3.9Å; I44-W55 HydrophobicContact CG2-CE3 3.88Å; I44-W55 HydrophobicContact CG2-CG 4.48Å; I44-W55 HydrophobicContact CG2-CH2 4.32Å; I44-W55 HydrophobicContact CG2-CZ2 4.34Å; I44-W55 HydrophobicContact CG2-CZ3 4.1Å; S51-W55 WeakPolarHBondContact O-CB 3.19Å; S51-W55 PolarHBondContact O-N 2.95Å; Y52-W55 AromaticContact CD2-CE3 3.83Å; Y52-W55 HydrophobicContact CD2-CE3 3.83Å; Y52-W55 HydrophobicContact CD2-CZ3 4.19Å; Y52-W55 AromaticContact CE2-CE3 3.64Å; Y52-W55 HydrophobicContact CE2-CE3 3.64Å; Y52-W55 AromaticContact CE2-CZ3 3.53Å; Y52-W55 HydrophobicContact CE2-CZ3 3.53Å; Y52-W55 PolarHBondContact O-N 3.17Å; T53-W55 VanDerWaalsContact C-N 3.31Å; T53-W55 PolarHBondContact O-N 3.17Å; W55-K99 HydrophobicContact CD2-CD 4.25Å; W55-K99 HydrophobicContact CE3-CD 4.49Å; W55-K99 HydrophobicContact CH2-CD 3.99Å; W55-K99 HydrophobicContact CZ2-CD 3.69Å; W55-K99 HydrophobicContact CZ3-CD 4.37Å; W55-K99 PolarHBondContact O-NZ 2.92Å; W55-I102 HydrophobicContact CH2-CD1 4.48Å; W55-I102 HydrophobicContact CH2-CG2 4.17Å; W55-I102 HydrophobicContact CZ3-CD1 4.01Å; W55-I102 HydrophobicContact CZ3-CG2 4.18Å; W55-V110 HydrophobicContact CH2-CG1 4.15Å; W55-V110 HydrophobicContact CH2-CG2 4.06Å; W55-V110 HydrophobicContact CZ2-CG1 4.09Å; W55-Y112 HydrophobicContact CH2-CD1 4.05Å; W55-Y112 HydrophobicContact CH2-CG 4.48Å; W55-Y112 AromaticContact CZ2-CD1 3.82Å; W55-Y112 HydrophobicContact CZ2-CD1 3.82Å; W55-Y112 AromaticContact CZ2-CE1 3.84Å; W55-Y112 HydrophobicContact CZ2-CE1 3.84Å; W55-Y112 HydrophobicContact CZ2-CG 4.49Å; W55-I220 HydrophobicContact CZ2-CD1 4.05Å; W55-H231 AromaticContact CD1-CE1 3.52Å; W55-H231 AromaticContact NE1-CE1 3.77Å; W55-H231 AromaticContact NE1-ND1 3.86Å
56K90.5Very high87.9Confident62 Ų6251 Ų5127%0.2727%0.267SS..Hα-helixtrans-72.7-52-177.3175.1180173.4-168.50112.3Y52 T53 K99 I102Y52-K56 HydrophobicContact CE1-CD 4.37Å; Y52-K56 VanDerWaalsContact O-CB 3.26Å; Y52-K56 WeakPolarHBondContact O-CB 3.46Å; Y52-K56 PolarHBondContact O-N 3.4Å; T53-K56 PolarHBondContact O-N 3.11Å; K56-K99 PolarHBondContact O-N 3.2Å; K56-I102 HydrophobicContact CB-CD1 4.43Å; K56-I102 HydrophobicContact CD-CD1 3.86Å; K56-I102 HydrophobicContact CG-CD1 3.76Å
57D85.2Confident88.2Confident57 Ų5749.9 Ų49.931%0.30526%0.256SS..SBendtrans-116.685.4-176.8-63.1-55.4000107T53 P59 R98T53-D57 PolarHBondContact O-N 2.85Å; D57-P59 VanDerWaalsContact O-CD 3.32Å; D57-P59 WeakPolarHBondContact O-CD 3.43Å; D57-P59 VanDerWaalsContact O-N 3.09Å; D57-R98 WeakPolarHBondContact OD1-CG 3.22Å; D57-R98 IonicContact OD1-NE 3.71Å; D57-R98 PolarHBondContact OD1-NE 3.11Å
58L81.3Confident88.5Confident34 Ų3441 Ų4118%0.17822%0.217CC..  trans-54.5116.9-176.9-77167.7000109.6V60 F62L58-V60 PolarHBondContact O-N 3.49Å; L58-F62 HydrophobicContact CB-CE2 4.32Å; L58-F62 HydrophobicContact CD1-CE2 3.93Å; L58-F62 HydrophobicContact CD1-CZ 4.38Å
59P76.1Confident89Confident62 Ų6239 Ų3940%0.40321%0.206SC..  trans-83.56.6-168.135.1-38.1000113M54 D57 I425M54-P59 HydrophobicContact CG-CG 4.34Å; D57-P59 VanDerWaalsContact O-CD 3.32Å; D57-P59 WeakPolarHBondContact O-CD 3.43Å; D57-P59 VanDerWaalsContact O-N 3.09Å; P59-I425 HydrophobicContact CB-CD1 3.55Å; P59-I425 HydrophobicContact CB-CG1 4.18Å; P59-I425 HydrophobicContact CG-CD1 3.76Å; P59-I425 HydrophobicContact CG-CG1 4.15Å; P59-I425 WeakPolarHBondContact O-CD1 3.1Å
60V80.8Confident89.7Confident27 Ų2734.4 Ų34.416%0.16418%0.181CC..SBendtrans-103.3141.1-178.8-64.90000111.3L58 F62 I421 I425L58-V60 PolarHBondContact O-N 3.49Å; V60-F62 HydrophobicContact CG2-CD2 4.3Å; V60-F62 HydrophobicContact CG2-CE2 3.59Å; V60-F62 HydrophobicContact CG2-CZ 3.85Å; V60-I421 HydrophobicContact CG1-CG1 4.17Å; V60-I425 HydrophobicContact CG1-CD1 4.18Å
61P79.8Confident90.5Very high51 Ų5129.7 Ų29.733%0.33116%0.156SC..PPolyproline II helixtrans-72.2130.6173.531.4-33.1000109.7F63P61-F63 HydrophobicContact CB-CE2 3.71Å; P61-F63 HydrophobicContact CB-CZ 3.93Å; P61-F63 HydrophobicContact CG-CE2 4.01Å; P61-F63 HydrophobicContact CG-CZ 4.46Å
62F90.2Very high91.2Very high39 Ų3933 Ų3317%0.17117%0.172CC..EExtended strand (participates in β ladder)trans-102.2143.4165.3-71.5-85.1000108.7L58 V60 K95 N418L58-F62 HydrophobicContact CB-CE2 4.32Å; L58-F62 HydrophobicContact CD1-CE2 3.93Å; L58-F62 HydrophobicContact CD1-CZ 4.38Å; V60-F62 HydrophobicContact CG2-CD2 4.3Å; V60-F62 HydrophobicContact CG2-CE2 3.59Å; V60-F62 HydrophobicContact CG2-CZ 3.85Å; F62-K95 HydrophobicContact CB-CB 3.94Å; F62-K95 HydrophobicContact CB-CD 4.27Å; F62-K95 HydrophobicContact CB-CG 4.4Å; F62-K95 PolarHBondContact O-N 3.27Å; F62-N418 WeakPolarHBondContact CA-O 3.28Å
63F94.8Very high91.5Very high16 Ų1631.8 Ų31.87%0.0717%0.168CC..EExtended strand (participates in β ladder)trans-125142.3173-57.5-90.4000109.9P61 V92 Y93 R94 E121 M124 E417 N418 Y420P61-F63 HydrophobicContact CB-CE2 3.71Å; P61-F63 HydrophobicContact CB-CZ 3.93Å; P61-F63 HydrophobicContact CG-CE2 4.01Å; P61-F63 HydrophobicContact CG-CZ 4.46Å; F63-V92 HydrophobicContact CB-CG1 4.13Å; F63-V92 HydrophobicContact CD1-CG1 3.98Å; F63-V92 HydrophobicContact CG-CG1 4.43Å; F63-Y93 CarbonylContact C-O 3.59Å; F63-Y93 WeakPolarHBondContact CA-O 3.41Å; F63-R94 HydrophobicContact CD1-CB 3.98Å; F63-R94 HydrophobicContact CD1-CG 4.41Å; F63-R94 HydrophobicContact CE1-CB 3.91Å; F63-R94 HydrophobicContact CE1-CG 4.1Å; F63-E121 HydrophobicContact CE1-CG 4.32Å; F63-M124 HydrophobicContact CD1-CE 4.32Å; F63-M124 HydrophobicContact CD1-SD 4.13Å; F63-M124 HydrophobicContact CE1-CE 4.3Å; F63-M124 HydrophobicContact CE1-SD 3.73Å; F63-M124 HydrophobicContact CZ-CE 4.48Å; F63-M124 HydrophobicContact CZ-SD 4.16Å; F63-E417 CarbonylContact O-C 3.54Å; F63-E417 WeakPolarHBondContact O-CA 3.47Å; F63-N418 WeakPolarHBondContact CB-OD1 3.35Å; F63-N418 PolarHBondContact N-O 3.18Å; F63-N418 PolarHBondContact O-N 3.2Å; F63-Y420 HydrophobicContact CE2-CE1 4.43Å
64M96Very high92Very high3 Ų330.4 Ų30.42%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-107.9110.3168.3-177.5-176.9-176.100107.7V66 V92 Y93 Y118 M179 F207 F415 E416M64-V66 HydrophobicContact CE-CG2 3.88Å; M64-V66 HydrophobicContact CG-CG2 3.99Å; M64-V66 HydrophobicContact SD-CG2 4.32Å; M64-V92 WeakPolarHBondContact O-CA 2.93Å; M64-Y93 PolarHBondContact N-O 2.95Å; M64-Y93 PolarHBondContact O-N 3.05Å; M64-Y118 HydrophobicContact CB-CD1 4.32Å; M64-Y118 HydrophobicContact CB-CE1 4.05Å; M64-Y118 HydrophobicContact SD-CD1 4.25Å; M64-Y118 HydrophobicContact SD-CE1 3.76Å; M64-M179 HydrophobicContact CE-CE 4.19Å; M64-M179 HydrophobicContact SD-CE 4.43Å; M64-F207 HydrophobicContact CE-CD1 4.26Å; M64-F207 HydrophobicContact CE-CD2 4.42Å; M64-F207 HydrophobicContact CE-CE1 3.79Å; M64-F207 HydrophobicContact CE-CE2 3.93Å; M64-F207 HydrophobicContact CE-CZ 3.6Å; M64-F415 HydrophobicContact CE-CB 3.83Å; M64-F415 HydrophobicContact CE-CD1 4.31Å; M64-F415 HydrophobicContact CE-CD2 3.91Å; M64-F415 HydrophobicContact CE-CG 3.75Å; M64-F415 HydrophobicContact CG-CB 4.46Å; M64-E416 CarbonylContact C-O 3.46Å; M64-E416 VanDerWaalsContact CA-O 3.3Å; M64-E416 WeakPolarHBondContact CA-O 3.29Å
65S97.5Very high92.6Very high7 Ų732.4 Ų32.45%0.04917%0.169CC..EExtended strand (participates in β ladder)trans-96.9123.1174.1-57.70000108.8F415 E416S65-F415 CarbonylContact O-C 3.55Å; S65-F415 WeakPolarHBondContact O-CA 3.16Å; S65-E416 PolarHBondContact N-O 3.03Å; S65-E416 PolarHBondContact O-N 3.43Å
66V98Very high93Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-113.5134.3-176.8-172.50000111M64 F68 P90 Y91 Y93 M179 L413 F415M64-V66 HydrophobicContact CE-CG2 3.88Å; M64-V66 HydrophobicContact CG-CG2 3.99Å; M64-V66 HydrophobicContact SD-CG2 4.32Å; V66-F68 HydrophobicContact CB-CE2 4.43Å; V66-F68 HydrophobicContact CG1-CD2 4.18Å; V66-F68 HydrophobicContact CG1-CE2 3.7Å; V66-F68 HydrophobicContact CG1-CZ 3.95Å; V66-P90 CarbonylContact O-C 3.59Å; V66-P90 WeakPolarHBondContact O-CA 3.46Å; V66-Y91 PolarHBondContact N-O 2.79Å; V66-Y91 PolarHBondContact O-N 2.93Å; V66-Y93 HydrophobicContact CG2-CD2 4.5Å; V66-M179 HydrophobicContact CB-SD 4.38Å; V66-M179 HydrophobicContact CG1-SD 3.92Å; V66-M179 HydrophobicContact CG2-CE 3.76Å; V66-M179 HydrophobicContact CG2-SD 4.05Å; V66-L413 HydrophobicContact CG1-CB 4.39Å; V66-L413 HydrophobicContact CG1-CD1 4.31Å; V66-L413 HydrophobicContact CG1-CD2 4.09Å; V66-F415 HydrophobicContact CG2-CB 4.17Å
67Y98.4Very high93.3Very high36 Ų3632.1 Ų32.114%0.14117%0.169CC..EExtended strand (participates in β ladder)trans-125.8115.8-179.4-59.9-100.3000108.8Q87 R88 P90 L413 W414Y67-Q87 HydrophobicContact CD1-CG 4.15Å; Y67-R88 WeakPolarHBondContact CA-O 3.42Å; Y67-P90 HydrophobicContact CD1-CB 4.43Å; Y67-P90 HydrophobicContact CE1-CB 3.8Å; Y67-P90 HydrophobicContact CE1-CG 4.17Å; Y67-P90 HydrophobicContact CE2-CB 3.98Å; Y67-L413 CarbonylContact O-C 3.59Å; Y67-L413 WeakPolarHBondContact O-CA 3.5Å; Y67-L413 VanDerWaalsContact O-CB 3.27Å; Y67-L413 WeakPolarHBondContact O-CB 3.43Å; Y67-W414 VanDerWaalsContact CB-CE2 3.49Å; Y67-W414 HydrophobicContact CD1-CH2 4.35Å; Y67-W414 AromaticContact CD1-CZ2 3.73Å; Y67-W414 HydrophobicContact CD1-CZ2 3.73Å; Y67-W414 AromaticContact CD2-CD2 3.75Å; Y67-W414 HydrophobicContact CD2-CD2 3.75Å; Y67-W414 AromaticContact CD2-CE2 3.5Å; Y67-W414 VanDerWaalsContact CD2-CE2 3.5Å; Y67-W414 AromaticContact CD2-CE3 3.77Å; Y67-W414 HydrophobicContact CD2-CE3 3.77Å; Y67-W414 AromaticContact CD2-CH2 3.36Å; Y67-W414 HydrophobicContact CD2-CH2 3.36Å; Y67-W414 AromaticContact CD2-CZ2 3.31Å; Y67-W414 HydrophobicContact CD2-CZ2 3.31Å; Y67-W414 AromaticContact CD2-CZ3 3.59Å; Y67-W414 HydrophobicContact CD2-CZ3 3.59Å; Y67-W414 HydrophobicContact CE1-CH2 4.19Å; Y67-W414 AromaticContact CE1-CZ2 3.93Å; Y67-W414 HydrophobicContact CE1-CZ2 3.93Å; Y67-W414 HydrophobicContact CE2-CE3 4.21Å; Y67-W414 AromaticContact CE2-CH2 3.18Å; Y67-W414 HydrophobicContact CE2-CH2 3.18Å; Y67-W414 AromaticContact CE2-CZ2 3.56Å; Y67-W414 HydrophobicContact CE2-CZ2 3.56Å; Y67-W414 AromaticContact CE2-CZ3 3.55Å; Y67-W414 HydrophobicContact CE2-CZ3 3.55Å; Y67-W414 HydrophobicContact CG-CD2 4.08Å; Y67-W414 AromaticContact CG-CE2 3.47Å; Y67-W414 VanDerWaalsContact CG-CE2 3.47Å; Y67-W414 AromaticContact CG-CH2 3.95Å; Y67-W414 HydrophobicContact CG-CH2 3.95Å; Y67-W414 AromaticContact CG-CZ2 3.4Å; Y67-W414 HydrophobicContact CG-CZ2 3.4Å; Y67-W414 VanDerWaalsContact CG-CZ2 3.4Å; Y67-W414 HydrophobicContact CG-CZ3 4.49Å; Y67-W414 AromaticContact CG-NE1 3.83Å; Y67-W414 AromaticContact CZ-CH2 3.61Å; Y67-W414 AromaticContact CZ-CZ2 3.84Å; Y67-W414 PolarHBondContact N-O 3.16Å; Y67-W414 PolarHBondContact O-N 3.06Å
68F98.5Very high93.9Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-92.1149.9-180-68.3-92.2000111.4V66 Q87 R88 Y91 I133 I135 V175 L178 M179 L413V66-F68 HydrophobicContact CB-CE2 4.43Å; V66-F68 HydrophobicContact CG1-CD2 4.18Å; V66-F68 HydrophobicContact CG1-CE2 3.7Å; V66-F68 HydrophobicContact CG1-CZ 3.95Å; F68-Q87 CarbonylContact O-C 3.58Å; F68-Q87 WeakPolarHBondContact O-CA 3.48Å; F68-R88 PolarHBondContact N-O 2.74Å; F68-R88 PolarHBondContact O-N 2.89Å; F68-Y91 AromaticContact CD2-CD2 3.92Å; F68-Y91 HydrophobicContact CD2-CD2 3.92Å; F68-Y91 HydrophobicContact CD2-CE2 4.13Å; F68-Y91 HydrophobicContact CE2-CD2 4.02Å; F68-I133 HydrophobicContact CB-CD1 3.63Å; F68-I133 HydrophobicContact CB-CG2 3.88Å; F68-I133 HydrophobicContact CD1-CD1 4.38Å; F68-I133 HydrophobicContact CD2-CD1 3.5Å; F68-I133 HydrophobicContact CE2-CD1 4.25Å; F68-I133 HydrophobicContact CG-CD1 3.58Å; F68-I133 HydrophobicContact CG-CG2 4.35Å; F68-I135 HydrophobicContact CD1-CG2 4.42Å; F68-V175 HydrophobicContact CD2-CG2 4.46Å; F68-V175 HydrophobicContact CE2-CB 4.49Å; F68-V175 HydrophobicContact CE2-CG1 3.9Å; F68-V175 HydrophobicContact CE2-CG2 4.11Å; F68-V175 HydrophobicContact CZ-CG1 4.32Å; F68-L178 HydrophobicContact CD1-CD1 4.16Å; F68-L178 HydrophobicContact CE1-CB 3.93Å; F68-L178 HydrophobicContact CE1-CD1 3.92Å; F68-L178 HydrophobicContact CZ-CB 4.25Å; F68-M179 HydrophobicContact CZ-CG 3.95Å; F68-M179 HydrophobicContact CZ-SD 3.84Å; F68-L413 HydrophobicContact CD1-CB 3.94Å; F68-L413 HydrophobicContact CD1-CD2 3.98Å; F68-L413 HydrophobicContact CE1-CB 4.34Å; F68-L413 HydrophobicContact CE1-CD2 3.54Å; F68-L413 HydrophobicContact CG-CB 4.34Å; F68-L413 HydrophobicContact CZ-CD2 4.12Å
69F98.5Very high94.6Very high0 Ų035.7 Ų35.70%018%0.182CC..EExtended strand (participates in β ladder)trans-96.395.1168.8-68.5-72.7000109.6V71 V85 H345 L360 Q388 P411 M412 W414F69-V71 PolarHBondContact O-N 2.82Å; F69-V85 HydrophobicContact CB-CB 4.03Å; F69-V85 HydrophobicContact CB-CG1 4.17Å; F69-V85 HydrophobicContact CB-CG2 4.31Å; F69-V85 HydrophobicContact CD1-CB 4.3Å; F69-V85 HydrophobicContact CD1-CG2 3.78Å; F69-V85 HydrophobicContact CG-CG2 4.39Å; F69-H345 AromaticContact CE1-CE1 3.54Å; F69-H345 AromaticContact CE1-NE2 3.55Å; F69-H345 AromaticContact CZ-CD2 3.85Å; F69-H345 AromaticContact CZ-CE1 3.98Å; F69-H345 AromaticContact CZ-NE2 3.62Å; F69-L360 HydrophobicContact CD1-CD2 4.08Å; F69-L360 HydrophobicContact CE1-CD2 3.57Å; F69-L360 HydrophobicContact CZ-CD2 4.07Å; F69-Q388 HydrophobicContact CE2-CG 4.28Å; F69-Q388 VanDerWaalsContact CE2-OE1 3.23Å; F69-P411 HydrophobicContact CD2-CB 3.56Å; F69-P411 HydrophobicContact CD2-CG 4.15Å; F69-P411 HydrophobicContact CE2-CB 3.74Å; F69-P411 HydrophobicContact CE2-CG 4.48Å; F69-P411 HydrophobicContact CG-CB 4.11Å; F69-P411 HydrophobicContact CG-CG 4.19Å; F69-P411 HydrophobicContact CZ-CB 4.44Å; F69-M412 PolarHBondContact N-O 2.9Å; F69-W414 AromaticContact CE2-CD1 3.65Å; F69-W414 AromaticContact CZ-CD1 3.56Å
70H98.5Very high95.6Very high26 Ų2634.1 Ų34.112%0.1218%0.177CC..EExtended strand (participates in β ladder)trans-69.8120.6176.7-178.976.5000110.3V85 E86 R88 I133 T134H70-V85 CarbonylContact O-C 3.59Å; H70-V85 VanDerWaalsContact O-CA 3.25Å; H70-V85 WeakPolarHBondContact O-CA 3.47Å; H70-E86 WeakPolarHBondContact CB-O 3.35Å; H70-E86 PolarHBondContact N-O 2.81Å; H70-E86 PolarHBondContact O-N 3.45Å; H70-R88 HydrophobicContact CB-CG 4.11Å; H70-R88 PolarHBondContact CD2-NH2 3.44Å; H70-R88 PolarHBondContact NE2-NH2 2.8Å; H70-I133 HydrophobicContact CB-CG2 4.18Å; H70-T134 PolarHBondContact ND1-N 2.86Å
71V98.6Very high96.3Very high3 Ų338 Ų382%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-77.3122.7-179.9-178.20000110.5F69 P74 I77 V85 T134 F170 M410F69-V71 PolarHBondContact O-N 2.82Å; V71-P74 HydrophobicContact CG1-CB 4.31Å; V71-I77 HydrophobicContact CG1-CD1 3.56Å; V71-V85 HydrophobicContact CG2-CG1 4.44Å; V71-T134 HydrophobicContact CB-CG2 4.41Å; V71-T134 PolarHBondContact N-O 2.95Å; V71-F170 HydrophobicContact CB-CD1 4.5Å; V71-F170 HydrophobicContact CG1-CD1 4.26Å; V71-F170 HydrophobicContact CG1-CE1 3.96Å; V71-F170 HydrophobicContact CG2-CD1 4.27Å; V71-F170 HydrophobicContact CG2-CE1 4.21Å; V71-M410 HydrophobicContact CG2-CE 3.69Å
72L98.5Very high97.1Very high89 Ų8941.1 Ų41.147%0.46620%0.202SC..SBendtrans-89.8-27-176.2-63.1174.3000113.9M84 E86L72-M84 HydrophobicContact CB-CB 4.17Å; L72-M84 HydrophobicContact CD1-CB 4.36Å; L72-M84 PolarHBondContact N-O 3.04Å; L72-E86 HydrophobicContact CD1-CB 4.2Å; L72-E86 HydrophobicContact CD2-CB 4.19Å; L72-E86 HydrophobicContact CG-CB 4.32Å
73N98Very high97.5Very high12 Ų1239.6 Ų39.66%0.06420%0.196CC..  trans-132.554.7-170.669-32.4000113.6E75 E76 I77 K82 M84N73-E75 VanDerWaalsContact C-N 3.33Å; N73-E75 PolarHBondContact O-N 3.3Å; N73-E76 WeakPolarHBondContact CA-OE2 3.42Å; N73-E76 HydrophobicContact CB-CB 4.05Å; N73-E76 HydrophobicContact CB-CG 4.31Å; N73-E76 WeakPolarHBondContact CB-OE2 3.5Å; N73-E76 PolarHBondContact O-N 3.46Å; N73-I77 WeakPolarHBondContact O-CD1 3.33Å; N73-I77 VanDerWaalsContact O-CG1 3.25Å; N73-I77 WeakPolarHBondContact O-CG1 3.46Å; N73-I77 PolarHBondContact O-N 2.96Å; N73-K82 PolarHBondContact ND2-O 3.44Å; N73-M84 WeakPolarHBondContact OD1-CB 3.46Å; N73-M84 PolarHBondContact OD1-N 3.44Å
74P97.6Very high97.7Very high32 Ų3242.7 Ų42.721%0.20821%0.211CC..Hα-helixtrans-59.4-38.7-174.624.6-33.9000113.6V71 I77 L78 F170V71-P74 HydrophobicContact CG1-CB 4.31Å; P74-I77 PolarHBondContact O-N 3.01Å; P74-L78 WeakPolarHBondContact O-CG 3.48Å; P74-L78 PolarHBondContact O-N 2.92Å; P74-F170 HydrophobicContact CB-CB 4.27Å; P74-F170 HydrophobicContact CB-CD1 4.28Å; P74-F170 HydrophobicContact CB-CD2 3.41Å; P74-F170 VanDerWaalsContact CB-CD2 3.41Å; P74-F170 HydrophobicContact CB-CE2 3.73Å; P74-F170 HydrophobicContact CB-CG 3.72Å; P74-F170 HydrophobicContact CB-CZ 4.29Å; P74-F170 VanDerWaalsContact O-CE2 3.31Å; P74-F170 WeakPolarHBondContact O-CE2 3.4Å
75E97.4Very high97.8Very high114 Ų11442.9 Ų42.953%0.53321%0.213SC..Hα-helixtrans-71.3-35.7-178.3-64.1-58143.200112.5N73 L78 K79N73-E75 VanDerWaalsContact C-N 3.33Å; N73-E75 PolarHBondContact O-N 3.3Å; E75-L78 PolarHBondContact O-N 2.73Å; E75-K79 WeakPolarHBondContact O-CG 3.5Å; E75-K79 PolarHBondContact O-N 2.95Å
76E98Very high97.8Very high65 Ų6547 Ų4730%0.30423%0.231SC..Hα-helixtrans-69.3-39.9175.9-67.966.4-144.500111N73 L78 K79 G80 E81N73-E76 WeakPolarHBondContact CA-OE2 3.42Å; N73-E76 HydrophobicContact CB-CB 4.05Å; N73-E76 HydrophobicContact CB-CG 4.31Å; N73-E76 WeakPolarHBondContact CB-OE2 3.5Å; N73-E76 PolarHBondContact O-N 3.46Å; E76-L78 VanDerWaalsContact C-N 3.27Å; E76-L78 PolarHBondContact O-N 2.89Å; E76-K79 CarbonylContact O-C 3.55Å; E76-K79 WeakPolarHBondContact O-CA 3.36Å; E76-K79 WeakPolarHBondContact O-CB 3.47Å; E76-K79 PolarHBondContact O-N 3.3Å; E76-G80 PolarHBondContact O-N 3.07Å; E76-E81 HydrophobicContact CB-CB 3.96Å; E76-E81 HydrophobicContact CB-CG 4.15Å; E76-E81 WeakPolarHBondContact O-CB 3.3Å; E76-E81 PolarHBondContact O-N 2.68Å
77I97.8Very high97.8Very high2 Ų250.6 Ų50.61%0.0125%0.248CC..Hα-helixtrans-58.4-41.6174.2-66.5163.8000110.6V71 N73 P74 K79 G80 P83 F170 M393 I405V71-I77 HydrophobicContact CG1-CD1 3.56Å; N73-I77 WeakPolarHBondContact O-CD1 3.33Å; N73-I77 VanDerWaalsContact O-CG1 3.25Å; N73-I77 WeakPolarHBondContact O-CG1 3.46Å; N73-I77 PolarHBondContact O-N 2.96Å; P74-I77 PolarHBondContact O-N 3.01Å; I77-K79 PolarHBondContact O-N 3.12Å; I77-G80 PolarHBondContact O-N 3.03Å; I77-P83 HydrophobicContact CD1-CB 3.68Å; I77-P83 HydrophobicContact CD1-CG 4.03Å; I77-P83 HydrophobicContact CG1-CB 4.01Å; I77-P83 HydrophobicContact CG1-CG 3.97Å; I77-P83 HydrophobicContact CG2-CG 4.35Å; I77-F170 HydrophobicContact CB-CE2 4.4Å; I77-F170 HydrophobicContact CB-CZ 3.99Å; I77-F170 HydrophobicContact CD1-CE1 4.18Å; I77-F170 HydrophobicContact CD1-CZ 3.78Å; I77-F170 HydrophobicContact CG2-CE2 4.41Å; I77-F170 HydrophobicContact CG2-CZ 3.79Å; I77-M393 HydrophobicContact CG2-CE 4.26Å; I77-I405 HydrophobicContact CG2-CG1 4Å; I77-I405 HydrophobicContact CG2-CG2 4.5Å
78L97.1Very high97.8Very high33 Ų3352.7 Ų52.717%0.17326%0.255CS..Hα-helixtrans-66.2-19.5175.6-66.4170.4000113.5P74 E75 E76 P169 F170 E401 K404 I405P74-L78 WeakPolarHBondContact O-CG 3.48Å; P74-L78 PolarHBondContact O-N 2.92Å; E75-L78 PolarHBondContact O-N 2.73Å; E76-L78 VanDerWaalsContact C-N 3.27Å; E76-L78 PolarHBondContact O-N 2.89Å; L78-P169 HydrophobicContact CD1-CG 3.68Å; L78-P169 HydrophobicContact CD2-CB 3.95Å; L78-P169 HydrophobicContact CD2-CG 3.62Å; L78-P169 HydrophobicContact CG-CG 4.2Å; L78-F170 HydrophobicContact CD2-CE2 4.37Å; L78-F170 HydrophobicContact CG-CE2 4.12Å; L78-E401 VanDerWaalsContact CD2-O 3.3Å; L78-E401 WeakPolarHBondContact CD2-O 3.25Å; L78-K404 PolarHBondContact O-N 3.23Å; L78-I405 HydrophobicContact CD2-CD1 3.72Å; L78-I405 HydrophobicContact CD2-CG1 3.95Å
79K97.4Very high97.7Very high132 Ų13253.5 Ų53.557%0.57426%0.264SS*.Hα-helixtrans-88.5-8.4173.4-64.2165.6-165.81610112.8E75 E76 I77E75-K79 WeakPolarHBondContact O-CG 3.5Å; E75-K79 PolarHBondContact O-N 2.95Å; E76-K79 CarbonylContact O-C 3.55Å; E76-K79 WeakPolarHBondContact O-CA 3.36Å; E76-K79 WeakPolarHBondContact O-CB 3.47Å; E76-K79 PolarHBondContact O-N 3.3Å; I77-K79 PolarHBondContact O-N 3.12Å
80G95.9Very high97.7Very high29 Ų2955.1 Ų55.130%0.29927%0.274SS..THydrogen-bonded Turntrans102.88.3178.600000114.5E76 I77 K404 S406E76-G80 PolarHBondContact O-N 3.07Å; I77-G80 PolarHBondContact O-N 3.03Å; G80-K404 WeakPolarHBondContact CA-O 3.28Å; G80-S406 PolarHBondContact O-OG 3.46Å
81E96.8Very high97.7Very high110 Ų11054.1 Ų54.151%0.51427%0.269SS..PPolyproline II helixtrans-73.2164.5173.5-59.4-169.5-167.200111.8E76E76-E81 HydrophobicContact CB-CB 3.96Å; E76-E81 HydrophobicContact CB-CG 4.15Å; E76-E81 WeakPolarHBondContact O-CB 3.3Å; E76-E81 PolarHBondContact O-N 2.68Å
82K96.7Very high97.7Very high116 Ų11654.1 Ų54.150%0.50427%0.269SS..PPolyproline II helixtrans-70.6134.8179.6-68.3-170.1178.1-1670110.9N73 M84 D355N73-K82 PolarHBondContact ND2-O 3.44Å; K82-M84 PolarHBondContact O-N 2.99Å; K82-D355 WeakPolarHBondContact CE-O 3.17Å; K82-D355 PolarHBondContact NZ-O 3.47Å
83P98Very high97.6Very high7 Ų750 Ų505%0.04525%0.248CC..PPolyproline II helixtrans-57.9136.5170.8-2431.4000113.3I77 Y356 V357 L358 M393 M410I77-P83 HydrophobicContact CD1-CB 3.68Å; I77-P83 HydrophobicContact CD1-CG 4.03Å; I77-P83 HydrophobicContact CG1-CB 4.01Å; I77-P83 HydrophobicContact CG1-CG 3.97Å; I77-P83 HydrophobicContact CG2-CG 4.35Å; P83-Y356 WeakPolarHBondContact CD-O 3.5Å; P83-V357 HydrophobicContact CB-CG1 4.42Å; P83-V357 HydrophobicContact CB-CG2 4.46Å; P83-L358 PolarHBondContact O-N 2.87Å; P83-M393 HydrophobicContact CG-CE 4.37Å; P83-M410 HydrophobicContact CB-CE 3.79Å; P83-M410 HydrophobicContact CB-SD 3.57Å; P83-M410 VanDerWaalsContact CB-SD 3.57Å; P83-M410 HydrophobicContact CG-SD 3.86Å
84M98.3Very high97.5Very high81 Ų8155.1 Ų55.140%0.39927%0.266SS..BIsolated β-bridgetrans-116.9126.5170.8-64.6178.663.500108.8L72 N73 K82 L358L72-M84 HydrophobicContact CB-CB 4.17Å; L72-M84 HydrophobicContact CD1-CB 4.36Å; L72-M84 PolarHBondContact N-O 3.04Å; N73-M84 WeakPolarHBondContact OD1-CB 3.46Å; N73-M84 PolarHBondContact OD1-N 3.44Å; K82-M84 PolarHBondContact O-N 2.99Å; M84-L358 HydrophobicContact CB-CB 4.49Å; M84-L358 HydrophobicContact CG-CB 3.95Å; M84-L358 HydrophobicContact CG-CD1 3.77Å; M84-L358 HydrophobicContact CG-CG 4.39Å; M84-L358 HydrophobicContact SD-CD1 4.37Å
85V98.4Very high97.2Very high7 Ų754.6 Ų54.64%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-125.1152.9179.4-61.10000111.9F69 H70 V71 V357 L358 L360 M410F69-V85 HydrophobicContact CB-CB 4.03Å; F69-V85 HydrophobicContact CB-CG1 4.17Å; F69-V85 HydrophobicContact CB-CG2 4.31Å; F69-V85 HydrophobicContact CD1-CB 4.3Å; F69-V85 HydrophobicContact CD1-CG2 3.78Å; F69-V85 HydrophobicContact CG-CG2 4.39Å; H70-V85 CarbonylContact O-C 3.59Å; H70-V85 VanDerWaalsContact O-CA 3.25Å; H70-V85 WeakPolarHBondContact O-CA 3.47Å; V71-V85 HydrophobicContact CG2-CG1 4.44Å; V85-V357 HydrophobicContact CG1-CG1 4.21Å; V85-V357 HydrophobicContact CG2-CG1 3.81Å; V85-L358 WeakPolarHBondContact CG2-O 3.48Å; V85-L358 PolarHBondContact N-O 3.46Å; V85-L360 HydrophobicContact CG2-CD2 3.99Å; V85-M410 HydrophobicContact CG1-CE 3.33Å
86E98.1Very high96.8Very high94 Ų9454.3 Ų54.344%0.43926%0.259SS..EExtended strand (participates in β ladder)trans-123131.5169.8179.5-175.9-138.100108.8H70 L72 R88H70-E86 WeakPolarHBondContact CB-O 3.35Å; H70-E86 PolarHBondContact N-O 2.81Å; H70-E86 PolarHBondContact O-N 3.45Å; L72-E86 HydrophobicContact CD1-CB 4.2Å; L72-E86 HydrophobicContact CD2-CB 4.19Å; L72-E86 HydrophobicContact CG-CB 4.32Å; E86-R88 IonicContact OE2-NE 3.69Å; E86-R88 IonicContact OE2-NH2 3.45Å; E86-R88 PolarHBondContact OE2-NH2 2.57Å
87Q98.2Very high96.4Very high74 Ų7452 Ų5235%0.34625%0.25SC..EExtended strand (participates in β ladder)trans-71130.7174.6-179.6179.2-84.500110.7Y67 F68 H345Y67-Q87 HydrophobicContact CD1-CG 4.15Å; F68-Q87 CarbonylContact O-C 3.58Å; F68-Q87 WeakPolarHBondContact O-CA 3.48Å; Q87-H345 PolarHBondContact OE1-NE2 3.42Å
88R98.1Very high96Very high81 Ų8157.2 Ų57.231%0.30627%0.269SS..EExtended strand (participates in β ladder)trans-124.5118171-65-168.9179.5173.54.2110.9Y67 F68 H70 E86 V132 I133Y67-R88 WeakPolarHBondContact CA-O 3.42Å; F68-R88 PolarHBondContact N-O 2.74Å; F68-R88 PolarHBondContact O-N 2.89Å; H70-R88 HydrophobicContact CB-CG 4.11Å; H70-R88 PolarHBondContact CD2-NH2 3.44Å; H70-R88 PolarHBondContact NE2-NH2 2.8Å; E86-R88 IonicContact OE2-NE 3.69Å; E86-R88 IonicContact OE2-NH2 3.45Å; E86-R88 PolarHBondContact OE2-NH2 2.57Å; R88-V132 PolarHBondContact NH1-O 3.42Å; R88-I133 HydrophobicContact CB-CD1 4.37Å
89G96.8Very high95.8Very high17 Ų1755.7 Ų55.718%0.17526%0.262CS..EExtended strand (participates in β ladder)trans161.3-176.9-179.700000112.2
90P97.9Very high95.6Very high33 Ų3352.3 Ų52.321%0.21425%0.248CC..EExtended strand (participates in β ladder)cis-78147.11.429.1-32000113.1V66 Y67 V92 S125 V126V66-P90 CarbonylContact O-C 3.59Å; V66-P90 WeakPolarHBondContact O-CA 3.46Å; Y67-P90 HydrophobicContact CD1-CB 4.43Å; Y67-P90 HydrophobicContact CE1-CB 3.8Å; Y67-P90 HydrophobicContact CE1-CG 4.17Å; Y67-P90 HydrophobicContact CE2-CB 3.98Å; P90-V92 HydrophobicContact CB-CG2 3.8Å; P90-V92 HydrophobicContact CG-CG2 4.06Å; P90-S125 CarbonylContact O-C 3.58Å; P90-S125 VanDerWaalsContact O-CA 3.32Å; P90-S125 WeakPolarHBondContact O-CA 3.29Å; P90-V126 PolarHBondContact O-N 2.88Å
91Y98.4Very high95.5Very high6 Ų655.9 Ų55.92%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-101114.6156-62.6-84000107.4V66 F68 F120 V126 N128 D131 I133 V175V66-Y91 PolarHBondContact N-O 2.79Å; V66-Y91 PolarHBondContact O-N 2.93Å; F68-Y91 AromaticContact CD2-CD2 3.92Å; F68-Y91 HydrophobicContact CD2-CD2 3.92Å; F68-Y91 HydrophobicContact CD2-CE2 4.13Å; F68-Y91 HydrophobicContact CE2-CD2 4.02Å; Y91-F120 HydrophobicContact CD1-CE2 4.39Å; Y91-V126 HydrophobicContact CE1-CG1 4.49Å; Y91-N128 WeakPolarHBondContact CE1-O 3.26Å; Y91-D131 HydrophobicContact CE1-CB 4.12Å; Y91-D131 WeakPolarHBondContact CE1-OD2 3.44Å; Y91-D131 VanDerWaalsContact OH-CB 3.22Å; Y91-D131 WeakPolarHBondContact OH-CB 3.47Å; Y91-D131 PolarHBondContact OH-OD2 3.11Å; Y91-I133 HydrophobicContact CE2-CD1 3.95Å; Y91-V175 HydrophobicContact CD1-CB 4.45Å; Y91-V175 HydrophobicContact CD1-CG1 4.02Å; Y91-V175 HydrophobicContact CD1-CG2 4.08Å; Y91-V175 HydrophobicContact CD2-CG1 4.22Å; Y91-V175 HydrophobicContact CD2-CG2 3.96Å; Y91-V175 HydrophobicContact CE1-CB 4.5Å; Y91-V175 HydrophobicContact CE1-CG2 3.78Å; Y91-V175 HydrophobicContact CE2-CG2 3.65Å; Y91-V175 HydrophobicContact CG-CG1 3.85Å; Y91-V175 HydrophobicContact CG-CG2 4.17Å
92V97.9Very high95.6Very high3 Ų352.5 Ų52.52%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-104.2131.2-166.6-177.50000110.6F63 M64 P90 F120 E121 M124 S125F63-V92 HydrophobicContact CB-CG1 4.13Å; F63-V92 HydrophobicContact CD1-CG1 3.98Å; F63-V92 HydrophobicContact CG-CG1 4.43Å; M64-V92 WeakPolarHBondContact O-CA 2.93Å; P90-V92 HydrophobicContact CB-CG2 3.8Å; P90-V92 HydrophobicContact CG-CG2 4.06Å; V92-F120 WeakPolarHBondContact O-CD2 3.42Å; V92-E121 HydrophobicContact CG1-CB 4.36Å; V92-E121 PolarHBondContact O-N 2.77Å; V92-M124 HydrophobicContact CB-CB 3.91Å; V92-M124 HydrophobicContact CG1-CB 3.96Å; V92-M124 HydrophobicContact CG1-CE 4.33Å; V92-M124 HydrophobicContact CG1-SD 4.38Å; V92-M124 HydrophobicContact CG2-CB 3.98Å; V92-M124 WeakPolarHBondContact CG2-O 3.19Å; V92-S125 PolarHBondContact N-OG 3.03Å
93Y96.8Very high95.6Very high2 Ų250.5 Ų50.51%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-122.4123.8175.1-62.7-92.9000110.1F63 M64 V66 K95 F119 F120 E129 M179 W180F63-Y93 CarbonylContact C-O 3.59Å; F63-Y93 WeakPolarHBondContact CA-O 3.41Å; M64-Y93 PolarHBondContact N-O 2.95Å; M64-Y93 PolarHBondContact O-N 3.05Å; V66-Y93 HydrophobicContact CG2-CD2 4.5Å; Y93-K95 PolarHBondContact O-N 3.24Å; Y93-F119 CarbonylContact C-O 3.54Å; Y93-F119 VanDerWaalsContact CA-O 3.25Å; Y93-F119 WeakPolarHBondContact CA-O 3.44Å; Y93-F120 HydrophobicContact CD1-CB 3.89Å; Y93-F120 HydrophobicContact CD1-CD2 4.05Å; Y93-F120 HydrophobicContact CD1-CG 4.49Å; Y93-F120 HydrophobicContact CE1-CB 3.73Å; Y93-F120 AromaticContact CE1-CD2 3.63Å; Y93-F120 HydrophobicContact CE1-CD2 3.63Å; Y93-F120 HydrophobicContact CE1-CG 4.11Å; Y93-F120 HydrophobicContact CE2-CD2 4.21Å; Y93-F120 AromaticContact CZ-CD2 3.73Å; Y93-E129 WeakPolarHBondContact CE1-OE1 3.31Å; Y93-E129 VanDerWaalsContact CZ-OE1 3.27Å; Y93-E129 PolarHBondContact OH-OE1 2.91Å; Y93-M179 HydrophobicContact CE2-CE 4.14Å; Y93-M179 HydrophobicContact CE2-CG 4.46Å; Y93-W180 AromaticContact CD1-CZ2 3.68Å; Y93-W180 HydrophobicContact CD1-CZ2 3.68Å; Y93-W180 HydrophobicContact CD2-CZ2 4.47Å; Y93-W180 AromaticContact CE1-CE2 3.87Å; Y93-W180 AromaticContact CE1-CZ2 3.52Å; Y93-W180 HydrophobicContact CE1-CZ2 3.52Å; Y93-W180 AromaticContact CE1-NE1 3.6Å; Y93-W180 HydrophobicContact CE2-CZ2 4.34Å; Y93-W180 HydrophobicContact CG-CZ2 4.16Å; Y93-W180 AromaticContact CZ-CZ2 3.88Å; Y93-W180 AromaticContact CZ-NE1 3.86Å
94R95Very high95.6Very high120 Ų12053.5 Ų53.545%0.45326%0.255SS..EExtended strand (participates in β ladder)trans-70.1123.7167.2-178.916650.7137.32109.5F63 Y118 F119 E121F63-R94 HydrophobicContact CD1-CB 3.98Å; F63-R94 HydrophobicContact CD1-CG 4.41Å; F63-R94 HydrophobicContact CE1-CB 3.91Å; F63-R94 HydrophobicContact CE1-CG 4.1Å; R94-Y118 WeakPolarHBondContact O-CA 3.49Å; R94-F119 PolarHBondContact N-O 3.45Å; R94-F119 PolarHBondContact O-N 3.03Å; R94-E121 HydrophobicContact CB-CG 3.7Å; R94-E121 WeakPolarHBondContact CB-OE1 3.27Å; R94-E121 IonicContact CZ-OE1 3.91Å; R94-E121 IonicContact NE-OE1 3.58Å; R94-E121 PolarHBondContact NE-OE1 3.05Å; R94-E121 IonicContact NH2-OE1 3.58Å; R94-E121 PolarHBondContact NH2-OE1 3.35Å
95K92.4Very high95.5Very high21 Ų2152.8 Ų52.89%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-96.9121.4178.8-179.1-178.1-179.4175.30109.4F62 Y93 C97 R117 Y118 E417F62-K95 HydrophobicContact CB-CB 3.94Å; F62-K95 HydrophobicContact CB-CD 4.27Å; F62-K95 HydrophobicContact CB-CG 4.4Å; F62-K95 PolarHBondContact O-N 3.27Å; Y93-K95 PolarHBondContact O-N 3.24Å; K95-C97 WeakPolarHBondContact CE-SG 3.42Å; K95-R117 CarbonylContact C-O 3.05Å; K95-R117 WeakPolarHBondContact CA-O 3.4Å; K95-Y118 HydrophobicContact CB-CD1 4.05Å; K95-Y118 HydrophobicContact CB-CE1 3.86Å; K95-Y118 HydrophobicContact CD-CE1 3.83Å; K95-Y118 HydrophobicContact CG-CD1 4.25Å; K95-Y118 HydrophobicContact CG-CE1 3.71Å; K95-E417 IonicContact NZ-OE1 3.24Å; K95-E417 PolarHBondContact NZ-OE1 3.28Å; K95-E417 IonicContact NZ-OE2 3.39Å; K95-E417 PolarHBondContact NZ-OE2 3.43Å
96Q89.4Confident95.4Very high107 Ų10759 Ų5950%0.529%0.291SS..EExtended strand (participates in β ladder)trans-101120.9169.8-171.6178.92700109.1R116 R117 F119Q96-R116 WeakPolarHBondContact O-CA 3.22Å; Q96-R117 HydrophobicContact CB-CB 4.45Å; Q96-R117 PolarHBondContact N-O 3.26Å; Q96-R117 PolarHBondContact O-N 3.46Å; Q96-F119 HydrophobicContact CB-CE2 4.04Å
97C88.8Confident95.3Very high17 Ų1759 Ų5912%0.11529%0.294CS..EExtended strand (participates in β ladder)trans-109.1136.1176.7-62.70000110.4K95 Y115K95-C97 WeakPolarHBondContact CE-SG 3.42Å; C97-Y115 CarbonylContact C-O 3.57Å; C97-Y115 WeakPolarHBondContact CA-O 3.41Å
98R88.7Confident95.2Very high111 Ų11156.6 Ų56.642%0.41929%0.285SS..EExtended strand (participates in β ladder)trans-142.6133175.4-169.3175.4-169.4-152.910.8112D57 E100 E114 Y115D57-R98 WeakPolarHBondContact OD1-CG 3.22Å; D57-R98 IonicContact OD1-NE 3.71Å; D57-R98 PolarHBondContact OD1-NE 3.11Å; R98-E100 HydrophobicContact CG-CG 4.15Å; R98-E100 IonicContact CZ-OE1 3.83Å; R98-E100 IonicContact NE-OE1 3.44Å; R98-E100 IonicContact NH1-OE1 2.81Å; R98-E100 PolarHBondContact NH1-OE1 3Å; R98-E114 WeakPolarHBondContact O-CA 3.44Å; R98-Y115 PolarHBondContact N-O 2.88Å; R98-Y115 PolarHBondContact O-N 3.02Å
99K93.4Very high95.2Very high2 Ų252.8 Ų52.81%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-86.4122.1172.2-61.5-176.7178.563.70110.4W55 K56 I102 Y112 R113 E114W55-K99 HydrophobicContact CD2-CD 4.25Å; W55-K99 HydrophobicContact CE3-CD 4.49Å; W55-K99 HydrophobicContact CH2-CD 3.99Å; W55-K99 HydrophobicContact CZ2-CD 3.69Å; W55-K99 HydrophobicContact CZ3-CD 4.37Å; W55-K99 PolarHBondContact O-NZ 2.92Å; K56-K99 PolarHBondContact O-N 3.2Å; K99-I102 HydrophobicContact CB-CD1 4.09Å; K99-I102 HydrophobicContact CB-CG1 4.37Å; K99-Y112 HydrophobicContact CB-CD2 3.93Å; K99-Y112 HydrophobicContact CB-CG 4.36Å; K99-Y112 HydrophobicContact CD-CD1 4.44Å; K99-Y112 HydrophobicContact CD-CD2 3.61Å; K99-Y112 HydrophobicContact CD-CE1 4.42Å; K99-Y112 HydrophobicContact CD-CE2 3.57Å; K99-Y112 HydrophobicContact CD-CG 4.06Å; K99-Y112 VanDerWaalsContact CE-CE2 3.44Å; K99-Y112 HydrophobicContact CG-CD2 3.55Å; K99-Y112 HydrophobicContact CG-CE2 3.76Å; K99-Y112 HydrophobicContact CG-CG 4.3Å; K99-R113 WeakPolarHBondContact CA-O 3.42Å; K99-E114 IonicContact NZ-OE2 2.86Å
100E93.2Very high95.2Very high61 Ų6152 Ų5229%0.28526%0.263SS..EExtended strand (participates in β ladder)trans-124.9169177.5-58.3-164.6163.600111R98 I102 R113 Y115R98-E100 HydrophobicContact CG-CG 4.15Å; R98-E100 IonicContact CZ-OE1 3.83Å; R98-E100 IonicContact NE-OE1 3.44Å; R98-E100 IonicContact NH1-OE1 2.81Å; R98-E100 PolarHBondContact NH1-OE1 3Å; E100-I102 VanDerWaalsContact C-N 3.27Å; E100-I102 PolarHBondContact O-N 3.38Å; E100-R113 PolarHBondContact N-O 3.49Å; E100-R113 PolarHBondContact O-N 2.79Å; E100-Y115 HydrophobicContact CB-CD2 3.9Å; E100-Y115 HydrophobicContact CB-CE2 3.89Å; E100-Y115 HydrophobicContact CG-CD2 4.02Å; E100-Y115 HydrophobicContact CG-CE2 4.43Å
101N95.2Very high95.2Very high103 Ų10351 Ų5155%0.55126%0.256SS*.EExtended strand (participates in β ladder)trans54.141.1-177.4-57.8-27.9000113.6T103N101-T103 PolarHBondContact O-N 3Å
102I97.1Very high95.2Very high39 Ų3950.9 Ų50.920%0.226%0.256CS..EExtended strand (participates in β ladder)trans-73.5122.3-175.2-58.2165.5000110.1W55 K56 K99 E100 F104 V110 S111W55-I102 HydrophobicContact CH2-CD1 4.48Å; W55-I102 HydrophobicContact CH2-CG2 4.17Å; W55-I102 HydrophobicContact CZ3-CD1 4.01Å; W55-I102 HydrophobicContact CZ3-CG2 4.18Å; K56-I102 HydrophobicContact CB-CD1 4.43Å; K56-I102 HydrophobicContact CD-CD1 3.86Å; K56-I102 HydrophobicContact CG-CD1 3.76Å; K99-I102 HydrophobicContact CB-CD1 4.09Å; K99-I102 HydrophobicContact CB-CG1 4.37Å; E100-I102 VanDerWaalsContact C-N 3.27Å; E100-I102 PolarHBondContact O-N 3.38Å; I102-F104 HydrophobicContact CG2-CD2 4.31Å; I102-F104 HydrophobicContact CG2-CE2 3.84Å; I102-F104 HydrophobicContact CG2-CZ 4.47Å; I102-V110 HydrophobicContact CG2-CG2 3.58Å; I102-S111 CarbonylContact C-O 3.17Å; I102-S111 VanDerWaalsContact CA-O 3.27Å; I102-S111 WeakPolarHBondContact CA-O 3.4Å
103T97.6Very high95.1Very high74 Ų7454.4 Ų54.445%0.45427%0.269SS..EExtended strand (participates in β ladder)trans-130.6123.5179.6-54.10000110.1N101 V110 S111N101-T103 PolarHBondContact O-N 3Å; T103-V110 CarbonylContact O-C 3.45Å; T103-V110 WeakPolarHBondContact O-CA 3.07Å; T103-S111 PolarHBondContact N-O 3.32Å; T103-S111 PolarHBondContact O-N 2.85Å
104F97.6Very high94.9Very high70 Ų7055.6 Ų55.631%0.30728%0.275SS..EExtended strand (participates in β ladder)trans-92.3142.1176.8-73.8-92.2000111.2I44 P46 Y52 I102 V110 T222I44-F104 HydrophobicContact CG2-CE1 4.08Å; I44-F104 HydrophobicContact CG2-CZ 4.15Å; P46-F104 HydrophobicContact CB-CE2 4.15Å; P46-F104 HydrophobicContact CB-CZ 4.23Å; P46-F104 HydrophobicContact CG-CD2 4.41Å; P46-F104 HydrophobicContact CG-CE1 4.41Å; P46-F104 HydrophobicContact CG-CE2 3.96Å; P46-F104 HydrophobicContact CG-CZ 3.95Å; Y52-F104 HydrophobicContact CD2-CZ 4.3Å; Y52-F104 AromaticContact CE2-CE2 3.92Å; Y52-F104 HydrophobicContact CE2-CE2 3.92Å; Y52-F104 AromaticContact CE2-CZ 3.58Å; Y52-F104 HydrophobicContact CE2-CZ 3.58Å; I102-F104 HydrophobicContact CG2-CD2 4.31Å; I102-F104 HydrophobicContact CG2-CE2 3.84Å; I102-F104 HydrophobicContact CG2-CZ 4.47Å; F104-V110 HydrophobicContact CD1-CB 3.95Å; F104-V110 HydrophobicContact CD1-CG2 3.95Å; F104-V110 HydrophobicContact CD2-CG2 4.22Å; F104-V110 HydrophobicContact CE1-CB 3.99Å; F104-V110 HydrophobicContact CE1-CG2 3.88Å; F104-V110 HydrophobicContact CE2-CG2 4.14Å; F104-V110 HydrophobicContact CG-CB 4.49Å; F104-V110 HydrophobicContact CG-CG2 4.13Å; F104-V110 HydrophobicContact CZ-CG2 3.97Å; F104-T222 HydrophobicContact CD1-CG2 4.15Å; F104-T222 HydrophobicContact CE1-CG2 4.12Å
105H96.9Very high94.7Very high67 Ų6752.9 Ų52.931%0.3127%0.265SS..  trans-117.3154.3-175.6-58.4-64.2000112.4N107 S108 T109 S111H105-N107 WeakPolarHBondContact CB-OD1 3.41Å; H105-N107 PolarHBondContact O-N 2.89Å; H105-S108 PolarHBondContact O-N 3.32Å; H105-T109 PolarHBondContact CD2-OG1 3.21Å; H105-T109 PolarHBondContact N-O 3.01Å; H105-S111 PolarHBondContact NE2-OG 3.16Å
106P95.6Very high94.7Very high137 Ų13752.6 Ų52.689%0.8926%0.263SS*.THydrogen-bonded Turntrans-62.9-23.8178.3-2434.5000114.7S108P106-S108 PolarHBondContact O-N 3.25Å
107N95.5Very high94.8Very high94 Ų9453.1 Ų53.150%0.50326%0.261SS..THydrogen-bonded Turntrans-81.923.9179.669.3-18.1000113.6H105 T109H105-N107 WeakPolarHBondContact CB-OD1 3.41Å; H105-N107 PolarHBondContact O-N 2.89Å; N107-T109 VanDerWaalsContact C-N 3.26Å; N107-T109 PolarHBondContact O-N 2.91Å; N107-T109 PolarHBondContact OD1-N 3.2Å; N107-T109 PolarHBondContact OD1-OG1 3.35Å
108S96.8Very high95.1Very high23 Ų2352.8 Ų52.816%0.16126%0.257CS..SBendtrans58.233.6-178.1-56.80000114.2H105 P106 T222H105-S108 PolarHBondContact O-N 3.32Å; P106-S108 PolarHBondContact O-N 3.25Å; S108-T222 PolarHBondContact O-N 3.16Å; S108-T222 PolarHBondContact O-OG1 3Å
109T97.9Very high95.4Very high2 Ų251.7 Ų51.71%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-117.1162.2171.768.40000111.7H105 N107 T219 I220 D234H105-T109 PolarHBondContact CD2-OG1 3.21Å; H105-T109 PolarHBondContact N-O 3.01Å; N107-T109 VanDerWaalsContact C-N 3.26Å; N107-T109 PolarHBondContact O-N 2.91Å; N107-T109 PolarHBondContact OD1-N 3.2Å; N107-T109 PolarHBondContact OD1-OG1 3.35Å; T109-T219 HydrophobicContact CG2-CG2 4.42Å; T109-I220 CarbonylContact C-O 3.59Å; T109-I220 WeakPolarHBondContact CA-O 3.46Å; T109-I220 WeakPolarHBondContact CB-O 3.24Å; T109-D234 HydrophobicContact CG2-CB 4.38Å
110V97.8Very high95.6Very high0 Ų053.6 Ų53.60%026%0.264CS..EExtended strand (participates in β ladder)trans-135.1132.2174.6620000109.3I44 W55 I102 T103 F104 T219 I220 T222I44-V110 HydrophobicContact CD1-CG1 4.16Å; W55-V110 HydrophobicContact CH2-CG1 4.15Å; W55-V110 HydrophobicContact CH2-CG2 4.06Å; W55-V110 HydrophobicContact CZ2-CG1 4.09Å; I102-V110 HydrophobicContact CG2-CG2 3.58Å; T103-V110 CarbonylContact O-C 3.45Å; T103-V110 WeakPolarHBondContact O-CA 3.07Å; F104-V110 HydrophobicContact CD1-CB 3.95Å; F104-V110 HydrophobicContact CD1-CG2 3.95Å; F104-V110 HydrophobicContact CD2-CG2 4.22Å; F104-V110 HydrophobicContact CE1-CB 3.99Å; F104-V110 HydrophobicContact CE1-CG2 3.88Å; F104-V110 HydrophobicContact CE2-CG2 4.14Å; F104-V110 HydrophobicContact CG-CB 4.49Å; F104-V110 HydrophobicContact CG-CG2 4.13Å; F104-V110 HydrophobicContact CZ-CG2 3.97Å; V110-T219 WeakPolarHBondContact O-CA 3.25Å; V110-I220 HydrophobicContact CG1-CD1 4.14Å; V110-I220 HydrophobicContact CG1-CG1 3.58Å; V110-I220 PolarHBondContact N-O 3.28Å; V110-I220 PolarHBondContact O-N 3.47Å; V110-T222 HydrophobicContact CB-CG2 3.86Å; V110-T222 HydrophobicContact CG1-CG2 3.84Å
111S98.1Very high95.8Very high11 Ų1152.4 Ų52.48%0.07726%0.258CS..EExtended strand (participates in β ladder)trans-102.7140.3174.5-56.30000111.1I102 T103 H105 F218 T219I102-S111 CarbonylContact C-O 3.17Å; I102-S111 VanDerWaalsContact CA-O 3.27Å; I102-S111 WeakPolarHBondContact CA-O 3.4Å; T103-S111 PolarHBondContact N-O 3.32Å; T103-S111 PolarHBondContact O-N 2.85Å; H105-S111 PolarHBondContact NE2-OG 3.16Å; S111-F218 CarbonylContact C-O 3.53Å; S111-F218 WeakPolarHBondContact CA-O 3.31Å; S111-T219 PolarHBondContact OG-OG1 3.05Å
112Y97Very high95.8Very high4 Ų451.2 Ų51.22%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-155.1161.7175.865.5-85.1000111.6W55 K99 E114 F218 I220W55-Y112 HydrophobicContact CH2-CD1 4.05Å; W55-Y112 HydrophobicContact CH2-CG 4.48Å; W55-Y112 AromaticContact CZ2-CD1 3.82Å; W55-Y112 HydrophobicContact CZ2-CD1 3.82Å; W55-Y112 AromaticContact CZ2-CE1 3.84Å; W55-Y112 HydrophobicContact CZ2-CE1 3.84Å; W55-Y112 HydrophobicContact CZ2-CG 4.49Å; K99-Y112 HydrophobicContact CB-CD2 3.93Å; K99-Y112 HydrophobicContact CB-CG 4.36Å; K99-Y112 HydrophobicContact CD-CD1 4.44Å; K99-Y112 HydrophobicContact CD-CD2 3.61Å; K99-Y112 HydrophobicContact CD-CE1 4.42Å; K99-Y112 HydrophobicContact CD-CE2 3.57Å; K99-Y112 HydrophobicContact CD-CG 4.06Å; K99-Y112 VanDerWaalsContact CE-CE2 3.44Å; K99-Y112 HydrophobicContact CG-CD2 3.55Å; K99-Y112 HydrophobicContact CG-CE2 3.76Å; K99-Y112 HydrophobicContact CG-CG 4.3Å; Y112-E114 HydrophobicContact CD2-CB 4.48Å; Y112-E114 HydrophobicContact CE2-CB 4.23Å; Y112-F218 HydrophobicContact CE1-CB 4.06Å; Y112-F218 HydrophobicContact CE2-CB 4.37Å; Y112-F218 PolarHBondContact N-O 2.74Å; Y112-F218 PolarHBondContact O-N 2.89Å; Y112-I220 HydrophobicContact CE1-CD1 3.69Å; Y112-I220 HydrophobicContact CE1-CG1 3.93Å; Y112-I220 HydrophobicContact CE1-CG2 4.19Å
113R96Very high95.8Very high78 Ų7854.5 Ų54.529%0.29428%0.282SS..EExtended strand (participates in β ladder)trans-109.7132.3165.4-70.7-174177.6-93.6-1.9109.1K99 E100 Y115 N214 L217K99-R113 WeakPolarHBondContact CA-O 3.42Å; E100-R113 PolarHBondContact N-O 3.49Å; E100-R113 PolarHBondContact O-N 2.79Å; R113-Y115 HydrophobicContact CB-CD2 4.3Å; R113-Y115 HydrophobicContact CB-CE2 3.73Å; R113-N214 HydrophobicContact CB-CB 4.38Å; R113-N214 PolarHBondContact NH1-OD1 3.43Å; R113-L217 HydrophobicContact CG-CB 4.42Å; R113-L217 HydrophobicContact CG-CD1 4.01Å
114E92.6Very high95.8Very high26 Ų2655.2 Ų55.212%0.12128%0.282CS..EExtended strand (participates in β ladder)trans-95.4116.4173.4177.5158.698.600110.5R98 K99 Y112 N214 Q259R98-E114 WeakPolarHBondContact O-CA 3.44Å; K99-E114 IonicContact NZ-OE2 2.86Å; Y112-E114 HydrophobicContact CD2-CB 4.48Å; Y112-E114 HydrophobicContact CE2-CB 4.23Å; E114-N214 WeakPolarHBondContact O-CA 3.39Å; E114-N214 WeakPolarHBondContact O-CB 3.33Å; E114-Q259 PolarHBondContact OE1-NE2 3.28Å; E114-Q259 PolarHBondContact OE2-NE2 3.13Å; E114-Q259 PolarHBondContact OE2-OE1 3.23Å
115Y91.9Very high95.8Very high64 Ų6452.9 Ų52.925%0.25127%0.274SS..EExtended strand (participates in β ladder)trans-93.9136.9175.1-72.2-95.4000110.5C97 R98 E100 R113 S213 N214C97-Y115 CarbonylContact C-O 3.57Å; C97-Y115 WeakPolarHBondContact CA-O 3.41Å; R98-Y115 PolarHBondContact N-O 2.88Å; R98-Y115 PolarHBondContact O-N 3.02Å; E100-Y115 HydrophobicContact CB-CD2 3.9Å; E100-Y115 HydrophobicContact CB-CE2 3.89Å; E100-Y115 HydrophobicContact CG-CD2 4.02Å; E100-Y115 HydrophobicContact CG-CE2 4.43Å; R113-Y115 HydrophobicContact CB-CD2 4.3Å; R113-Y115 HydrophobicContact CB-CE2 3.73Å; Y115-S213 VanDerWaalsContact CA-O 3.32Å; Y115-S213 WeakPolarHBondContact CA-O 3.35Å; Y115-N214 HydrophobicContact CD1-CB 4.06Å; Y115-N214 HydrophobicContact CD2-CB 4.36Å; Y115-N214 HydrophobicContact CE1-CB 4.11Å; Y115-N214 HydrophobicContact CE2-CB 4.39Å; Y115-N214 HydrophobicContact CG-CB 4.21Å
116R91.2Very high95.8Very high15 Ų1554.2 Ų54.26%0.05729%0.287CS..EExtended strand (participates in β ladder)trans-120.8137.2179.560.1-173.7176.8-167.7-8.7111Q96 Y118 F210 N212 S213 D277Q96-R116 WeakPolarHBondContact O-CA 3.22Å; R116-Y118 HydrophobicContact CB-CE2 4.27Å; R116-Y118 HydrophobicContact CG-CE2 3.99Å; R116-F210 WeakPolarHBondContact CG-O 3.1Å; R116-F210 VanDerWaalsContact CZ-CE2 3.44Å; R116-F210 PolarHBondContact NE-O 2.96Å; R116-F210 VanDerWaalsContact NH1-CD2 3.35Å; R116-N212 WeakPolarHBondContact O-CA 3.25Å; R116-N212 PolarHBondContact O-N 2.87Å; R116-S213 PolarHBondContact N-O 2.86Å; R116-D277 IonicContact CZ-OD1 3.39Å; R116-D277 IonicContact CZ-OD2 3.72Å; R116-D277 IonicContact NH1-OD1 3.84Å; R116-D277 IonicContact NH1-OD2 2.91Å; R116-D277 PolarHBondContact NH1-OD2 2.86Å; R116-D277 IonicContact NH2-OD1 2.66Å; R116-D277 PolarHBondContact NH2-OD1 3.16Å; R116-D277 IonicContact NH2-OD2 3.9Å
117R92.5Very high95.8Very high117 Ų11748.5 Ų48.544%0.44225%0.253SS..EExtended strand (participates in β ladder)trans-130.9141.1173.1-58.7-170.8-179.5159.53109.7K95 Q96 F119 N212K95-R117 CarbonylContact C-O 3.05Å; K95-R117 WeakPolarHBondContact CA-O 3.4Å; Q96-R117 HydrophobicContact CB-CB 4.45Å; Q96-R117 PolarHBondContact N-O 3.26Å; Q96-R117 PolarHBondContact O-N 3.46Å; R117-F119 HydrophobicContact CB-CE2 3.75Å; R117-F119 HydrophobicContact CB-CZ 4.05Å; R117-N212 WeakPolarHBondContact CD-OD1 3.44Å; R117-N212 VanDerWaalsContact CG-OD1 3.23Å; R117-N212 WeakPolarHBondContact CG-OD1 3.27Å; R117-N212 PolarHBondContact NE-OD1 3.35Å; R117-N212 VanDerWaalsContact NE-OD1 3.09Å
118Y94.2Very high95.9Very high10 Ų1048.5 Ų48.54%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-116.5131.6-178.8-63.5-87.1000109.7M64 R94 K95 R116 W180 F210 N211M64-Y118 HydrophobicContact CB-CD1 4.32Å; M64-Y118 HydrophobicContact CB-CE1 4.05Å; M64-Y118 HydrophobicContact SD-CD1 4.25Å; M64-Y118 HydrophobicContact SD-CE1 3.76Å; R94-Y118 WeakPolarHBondContact O-CA 3.49Å; K95-Y118 HydrophobicContact CB-CD1 4.05Å; K95-Y118 HydrophobicContact CB-CE1 3.86Å; K95-Y118 HydrophobicContact CD-CE1 3.83Å; K95-Y118 HydrophobicContact CG-CD1 4.25Å; K95-Y118 HydrophobicContact CG-CE1 3.71Å; R116-Y118 HydrophobicContact CB-CE2 4.27Å; R116-Y118 HydrophobicContact CG-CE2 3.99Å; Y118-W180 HydrophobicContact CD1-CH2 4.46Å; Y118-W180 AromaticContact CD2-CH2 3.92Å; Y118-W180 HydrophobicContact CD2-CH2 3.92Å; Y118-W180 HydrophobicContact CD2-CZ3 4.2Å; Y118-W180 AromaticContact CG-CH2 3.75Å; Y118-W180 HydrophobicContact CG-CH2 3.75Å; Y118-W180 HydrophobicContact CG-CZ3 4.49Å; Y118-F210 HydrophobicContact CE2-CB 4.19Å; Y118-N211 HydrophobicContact CD2-CB 4.48Å; Y118-N211 PolarHBondContact N-OD1 3.38Å
119F94.9Very high95.9Very high89 Ų8949.4 Ų49.439%0.3925%0.254SS..EExtended strand (participates in β ladder)trans-125.1121.9178.6-58.4-85.7000108.4Y93 R94 Q96 R117Y93-F119 CarbonylContact C-O 3.54Å; Y93-F119 VanDerWaalsContact CA-O 3.25Å; Y93-F119 WeakPolarHBondContact CA-O 3.44Å; R94-F119 PolarHBondContact N-O 3.45Å; R94-F119 PolarHBondContact O-N 3.03Å; Q96-F119 HydrophobicContact CB-CE2 4.04Å; R117-F119 HydrophobicContact CB-CE2 3.75Å; R117-F119 HydrophobicContact CB-CZ 4.05Å
120F97Very high95.8Very high41 Ų4152.8 Ų52.818%0.1828%0.278CS..EExtended strand (participates in β ladder)trans-63.4137.8179.7-174.9-118.1000111.1Y91 V92 Y93 P122 S125 G127 E129Y91-F120 HydrophobicContact CD1-CE2 4.39Å; V92-F120 WeakPolarHBondContact O-CD2 3.42Å; Y93-F120 HydrophobicContact CD1-CB 3.89Å; Y93-F120 HydrophobicContact CD1-CD2 4.05Å; Y93-F120 HydrophobicContact CD1-CG 4.49Å; Y93-F120 HydrophobicContact CE1-CB 3.73Å; Y93-F120 AromaticContact CE1-CD2 3.63Å; Y93-F120 HydrophobicContact CE1-CD2 3.63Å; Y93-F120 HydrophobicContact CE1-CG 4.11Å; Y93-F120 HydrophobicContact CE2-CD2 4.21Å; Y93-F120 AromaticContact CZ-CD2 3.73Å; F120-P122 HydrophobicContact CD1-CB 4.47Å; F120-P122 HydrophobicContact CD1-CG 3.73Å; F120-P122 HydrophobicContact CE1-CB 4.01Å; F120-P122 HydrophobicContact CE1-CG 3.76Å; F120-P122 WeakPolarHBondContact O-CD 3.25Å; F120-S125 VanDerWaalsContact CE2-OG 3.24Å; F120-S125 WeakPolarHBondContact CE2-OG 3.36Å; F120-S125 WeakPolarHBondContact CZ-OG 3.21Å; F120-G127 WeakPolarHBondContact CZ-O 3.45Å; F120-E129 HydrophobicContact CB-CG 4.25Å; F120-E129 VanDerWaalsContact CB-OE2 3.27Å; F120-E129 WeakPolarHBondContact CB-OE2 3.34Å; F120-E129 HydrophobicContact CD1-CG 3.66Å; F120-E129 HydrophobicContact CD2-CG 3.57Å; F120-E129 HydrophobicContact CE1-CG 3.8Å; F120-E129 HydrophobicContact CE2-CG 3.71Å; F120-E129 HydrophobicContact CG-CG 3.55Å; F120-E129 WeakPolarHBondContact CG-OE2 3.33Å; F120-E129 HydrophobicContact CZ-CG 3.82Å
121E97.3Very high95.8Very high37 Ų3755.4 Ų55.417%0.17329%0.292CS..  trans-116.690.1179.2-66.7-66.6163.800109.2F63 V92 R94 S123 M124 S125F63-E121 HydrophobicContact CE1-CG 4.32Å; V92-E121 HydrophobicContact CG1-CB 4.36Å; V92-E121 PolarHBondContact O-N 2.77Å; R94-E121 HydrophobicContact CB-CG 3.7Å; R94-E121 WeakPolarHBondContact CB-OE1 3.27Å; R94-E121 IonicContact CZ-OE1 3.91Å; R94-E121 IonicContact NE-OE1 3.58Å; R94-E121 PolarHBondContact NE-OE1 3.05Å; R94-E121 IonicContact NH2-OE1 3.58Å; R94-E121 PolarHBondContact NH2-OE1 3.35Å; E121-S123 VanDerWaalsContact C-N 3.25Å; E121-S123 PolarHBondContact O-N 2.91Å; E121-M124 HydrophobicContact CB-CB 4.39Å; E121-M124 PolarHBondContact O-N 2.83Å; E121-S125 PolarHBondContact O-N 3.12Å; E121-S125 PolarHBondContact O-OG 3.03Å
122P96.5Very high95.8Very high77 Ų7758.6 Ų58.650%0.531%0.311SS..G310 helixtrans-60.2-33.4-176.8-22.230.2000113.4F120 M124 S125F120-P122 HydrophobicContact CD1-CB 4.47Å; F120-P122 HydrophobicContact CD1-CG 3.73Å; F120-P122 HydrophobicContact CE1-CB 4.01Å; F120-P122 HydrophobicContact CE1-CG 3.76Å; F120-P122 WeakPolarHBondContact O-CD 3.25Å; P122-M124 PolarHBondContact O-N 2.85Å; P122-S125 PolarHBondContact O-N 2.86Å
123S97.1Very high95.9Very high108 Ų10858.4 Ų58.476%0.75531%0.31SS*.G310 helixtrans-69.1-18.8-178.154.30000114E121E121-S123 VanDerWaalsContact C-N 3.25Å; E121-S123 PolarHBondContact O-N 2.91Å
124M96.6Very high96Very high90 Ų9055.5 Ų55.544%0.44330%0.301SS..G310 helixtrans-106.4-2.9178.3-62.6-17967.900112.3F63 V92 E121 P122F63-M124 HydrophobicContact CD1-CE 4.32Å; F63-M124 HydrophobicContact CD1-SD 4.13Å; F63-M124 HydrophobicContact CE1-CE 4.3Å; F63-M124 HydrophobicContact CE1-SD 3.73Å; F63-M124 HydrophobicContact CZ-CE 4.48Å; F63-M124 HydrophobicContact CZ-SD 4.16Å; V92-M124 HydrophobicContact CB-CB 3.91Å; V92-M124 HydrophobicContact CG1-CB 3.96Å; V92-M124 HydrophobicContact CG1-CE 4.33Å; V92-M124 HydrophobicContact CG1-SD 4.38Å; V92-M124 HydrophobicContact CG2-CB 3.98Å; V92-M124 WeakPolarHBondContact CG2-O 3.19Å; E121-M124 HydrophobicContact CB-CB 4.39Å; E121-M124 PolarHBondContact O-N 2.83Å; P122-M124 PolarHBondContact O-N 2.85Å
125S98Very high96.2Very high20 Ų2054.5 Ų54.514%0.1430%0.297CS..SBendtrans-100.2150.6-175.6-59.60000111.4P90 V92 F120 E121 P122 G127P90-S125 CarbonylContact O-C 3.58Å; P90-S125 VanDerWaalsContact O-CA 3.32Å; P90-S125 WeakPolarHBondContact O-CA 3.29Å; V92-S125 PolarHBondContact N-OG 3.03Å; F120-S125 VanDerWaalsContact CE2-OG 3.24Å; F120-S125 WeakPolarHBondContact CE2-OG 3.36Å; F120-S125 WeakPolarHBondContact CZ-OG 3.21Å; E121-S125 PolarHBondContact O-N 3.12Å; E121-S125 PolarHBondContact O-OG 3.03Å; P122-S125 PolarHBondContact O-N 2.86Å; S125-G127 VanDerWaalsContact C-N 3.26Å; S125-G127 WeakPolarHBondContact CB-O 3.48Å; S125-G127 PolarHBondContact O-N 2.87Å
126V97.8Very high96.5Very high96 Ų9651.5 Ų51.558%0.58229%0.285SS*.SBendtrans-70-24.7176.770.40000112.8P90 Y91P90-V126 PolarHBondContact O-N 2.88Å; Y91-V126 HydrophobicContact CE1-CG1 4.49Å
127G96Very high96.7Very high17 Ų1750.8 Ų50.818%0.17528%0.282CS..SBendtrans-159.9-165.5-177.800000111.6F120 S125 D131F120-G127 WeakPolarHBondContact CZ-O 3.45Å; S125-G127 VanDerWaalsContact C-N 3.26Å; S125-G127 WeakPolarHBondContact CB-O 3.48Å; S125-G127 PolarHBondContact O-N 2.87Å; G127-D131 WeakPolarHBondContact CA-OD2 3.39Å
128N96.5Very high96.6Very high93 Ų9347 Ų4750%0.49727%0.27SS..  trans-97.6162.2-176.3-73.9-10.4000111.7Y91 S130 D131Y91-N128 WeakPolarHBondContact CE1-O 3.26Å; N128-S130 WeakPolarHBondContact CB-OG 3.33Å; N128-S130 PolarHBondContact O-N 2.93Å; N128-D131 PolarHBondContact N-OD2 2.87Å; N128-D131 WeakPolarHBondContact O-CB 3.43Å; N128-D131 PolarHBondContact O-N 3.28Å
129E96.1Very high96.4Very high42 Ų4247.3 Ų47.320%0.19627%0.272CS..THydrogen-bonded Turntrans-63.8-13173.7-57.7-170.386.500113.6Y93 F120 D131 T174 V175 E176 W180Y93-E129 WeakPolarHBondContact CE1-OE1 3.31Å; Y93-E129 VanDerWaalsContact CZ-OE1 3.27Å; Y93-E129 PolarHBondContact OH-OE1 2.91Å; F120-E129 HydrophobicContact CB-CG 4.25Å; F120-E129 VanDerWaalsContact CB-OE2 3.27Å; F120-E129 WeakPolarHBondContact CB-OE2 3.34Å; F120-E129 HydrophobicContact CD1-CG 3.66Å; F120-E129 HydrophobicContact CD2-CG 3.57Å; F120-E129 HydrophobicContact CE1-CG 3.8Å; F120-E129 HydrophobicContact CE2-CG 3.71Å; F120-E129 HydrophobicContact CG-CG 3.55Å; F120-E129 WeakPolarHBondContact CG-OE2 3.33Å; F120-E129 HydrophobicContact CZ-CG 3.82Å; E129-D131 VanDerWaalsContact C-N 3.3Å; E129-T174 WeakPolarHBondContact O-CB 3.32Å; E129-V175 PolarHBondContact O-N 3.24Å; E129-V175 VanDerWaalsContact O-N 3.12Å; E129-E176 HydrophobicContact CB-CB 3.93Å; E129-E176 PolarHBondContact O-N 3.43Å; E129-W180 PolarHBondContact OE1-NE1 3.41Å
130S97.5Very high96.4Very high73 Ų7343 Ų4351%0.5125%0.254SS..THydrogen-bonded Turntrans-77.8-9.8173.458.40000114.2N128N128-S130 WeakPolarHBondContact CB-OG 3.33Å; N128-S130 PolarHBondContact O-N 2.93Å
131D97.9Very high96.3Very high56 Ų5641.2 Ų41.230%0.29925%0.246SC..  trans-61.4138.4179.2-70.8-4.3000110.6Y91 G127 N128 E129 T174 V175Y91-D131 HydrophobicContact CE1-CB 4.12Å; Y91-D131 WeakPolarHBondContact CE1-OD2 3.44Å; Y91-D131 VanDerWaalsContact OH-CB 3.22Å; Y91-D131 WeakPolarHBondContact OH-CB 3.47Å; Y91-D131 PolarHBondContact OH-OD2 3.11Å; G127-D131 WeakPolarHBondContact CA-OD2 3.39Å; N128-D131 PolarHBondContact N-OD2 2.87Å; N128-D131 WeakPolarHBondContact O-CB 3.43Å; N128-D131 PolarHBondContact O-N 3.28Å; E129-D131 VanDerWaalsContact C-N 3.3Å; D131-T174 CarbonylContact O-C 3.53Å; D131-T174 WeakPolarHBondContact O-CA 3.38Å; D131-V175 HydrophobicContact CB-CG2 4.3Å; D131-V175 PolarHBondContact O-N 2.97Å
132V98Very high96.1Very high77 Ų7739.5 Ų39.547%0.46724%0.238SC..EExtended strand (participates in β ladder)trans-98130.2-172.7179.50000110.7R88 T172 K173 T174R88-V132 PolarHBondContact NH1-O 3.42Å; V132-T172 HydrophobicContact CG1-CG2 3.28Å; V132-K173 WeakPolarHBondContact CA-O 3.3Å; V132-T174 HydrophobicContact CG2-CG2 4.47Å
133I98.1Very high95.9Very high0 Ų036.9 Ų36.90%022%0.223CC..EExtended strand (participates in β ladder)trans-132138-177.3-53.3-174.2000109.6F68 H70 R88 Y91 I135 T172 K173 V175 L178F68-I133 HydrophobicContact CB-CD1 3.63Å; F68-I133 HydrophobicContact CB-CG2 3.88Å; F68-I133 HydrophobicContact CD1-CD1 4.38Å; F68-I133 HydrophobicContact CD2-CD1 3.5Å; F68-I133 HydrophobicContact CE2-CD1 4.25Å; F68-I133 HydrophobicContact CG-CD1 3.58Å; F68-I133 HydrophobicContact CG-CG2 4.35Å; H70-I133 HydrophobicContact CB-CG2 4.18Å; R88-I133 HydrophobicContact CB-CD1 4.37Å; Y91-I133 HydrophobicContact CE2-CD1 3.95Å; I133-I135 HydrophobicContact CG2-CG2 3.87Å; I133-T172 WeakPolarHBondContact O-CA 3.49Å; I133-K173 PolarHBondContact N-O 3.21Å; I133-K173 PolarHBondContact O-N 3.39Å; I133-V175 HydrophobicContact CD1-CG2 3.51Å; I133-V175 HydrophobicContact CG1-CG2 4.12Å; I133-L178 HydrophobicContact CB-CD1 3.92Å; I133-L178 HydrophobicContact CG2-CD1 4.35Å
134T98.4Very high95.8Very high18 Ų1831.7 Ų31.711%0.1119%0.187CC..EExtended strand (participates in β ladder)trans-101.6119.5173.8-54.50000109.3H70 V71 F170 L171 T172H70-T134 PolarHBondContact ND1-N 2.86Å; V71-T134 HydrophobicContact CB-CG2 4.41Å; V71-T134 PolarHBondContact N-O 2.95Å; T134-F170 HydrophobicContact CG2-CB 4.03Å; T134-L171 CarbonylContact C-O 3.52Å; T134-L171 VanDerWaalsContact CA-O 3.28Å; T134-L171 WeakPolarHBondContact CA-O 3.47Å; T134-T172 WeakPolarHBondContact CG2-OG1 3.39Å; T134-T172 PolarHBondContact OG1-OG1 2.93Å
135I97.6Very high95.6Very high4 Ų428.1 Ų28.12%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-128.5164.9176.366.6166.2000110.5F68 I133 N137 F170 L171 L178 L206F68-I135 HydrophobicContact CD1-CG2 4.42Å; I133-I135 HydrophobicContact CG2-CG2 3.87Å; I135-N137 PolarHBondContact O-N 3.4Å; I135-F170 WeakPolarHBondContact O-CA 3.4Å; I135-L171 PolarHBondContact N-O 3.03Å; I135-L171 PolarHBondContact O-N 2.95Å; I135-L178 HydrophobicContact CD1-CD1 4.22Å; I135-L178 HydrophobicContact CD1-CD2 3.65Å; I135-L178 HydrophobicContact CD1-CG 4.47Å; I135-L178 HydrophobicContact CG1-CD1 4.34Å; I135-L178 HydrophobicContact CG1-CD2 3.92Å; I135-L178 HydrophobicContact CG2-CD1 4.34Å; I135-L206 HydrophobicContact CD1-CD1 4.06Å
136P96.9Very high95.4Very high1 Ų131.3 Ų31.31%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-55132.9170.2-24.634.5000111.8M138 L141 F170 L391 M393 M410 M412P136-M138 PolarHBondContact O-N 3.1Å; P136-M138 VanDerWaalsContact O-N 3.11Å; P136-L141 HydrophobicContact CB-CD1 4.08Å; P136-F170 HydrophobicContact CG-CE1 4.45Å; P136-L391 HydrophobicContact CB-CD2 3.82Å; P136-M393 HydrophobicContact CB-SD 4.31Å; P136-M393 HydrophobicContact CG-SD 4.44Å; P136-M410 HydrophobicContact CG-CB 4.17Å; P136-M410 HydrophobicContact CG-CE 4.44Å; P136-M410 HydrophobicContact CG-CG 3.38Å; P136-M412 HydrophobicContact CG-CG 4.39Å
137N95.2Very high95Very high1 Ų129.5 Ų29.51%0.00517%0.17CC..  trans-78.499.6178.2-171.3-11000110I135 L139 V140 L141 E167 G168 P169 L171I135-N137 PolarHBondContact O-N 3.4Å; N137-L139 PolarHBondContact O-N 3.1Å; N137-L139 WeakPolarHBondContact OD1-CB 3.35Å; N137-L139 PolarHBondContact OD1-N 3.19Å; N137-L139 VanDerWaalsContact OD1-N 3.12Å; N137-V140 HydrophobicContact CB-CB 4.29Å; N137-V140 HydrophobicContact CB-CG2 4.49Å; N137-V140 WeakPolarHBondContact ND2-CG2 3.3Å; N137-V140 PolarHBondContact O-N 3.3Å; N137-V140 VanDerWaalsContact O-N 3.11Å; N137-L141 WeakPolarHBondContact O-CB 3.19Å; N137-L141 PolarHBondContact O-N 2.87Å; N137-E167 PolarHBondContact ND2-OE2 3.26Å; N137-G168 WeakPolarHBondContact CB-O 3.49Å; N137-G168 PolarHBondContact ND2-O 2.9Å; N137-P169 VanDerWaalsContact CB-O 3.31Å; N137-P169 WeakPolarHBondContact CB-O 3.45Å; N137-P169 PolarHBondContact N-O 3.39Å; N137-L171 HydrophobicContact CB-CB 3.98Å
138M92Very high94.9Very high36 Ų3631.6 Ų31.618%0.17718%0.176CC..Iπ-helixtrans-59.1-31.5179.5-177.1179.3176.700113.2P136 V140 G142 F204 L206 S337 V339 L391P136-M138 PolarHBondContact O-N 3.1Å; P136-M138 VanDerWaalsContact O-N 3.11Å; M138-V140 VanDerWaalsContact C-N 3.34Å; M138-V140 PolarHBondContact O-N 2.96Å; M138-G142 WeakPolarHBondContact O-CA 3.25Å; M138-G142 PolarHBondContact O-N 3.02Å; M138-F204 HydrophobicContact CB-CE1 4.14Å; M138-F204 HydrophobicContact CB-CZ 3.94Å; M138-F204 HydrophobicContact CG-CZ 3.92Å; M138-F204 HydrophobicContact SD-CZ 3.88Å; M138-L206 HydrophobicContact SD-CD2 4.2Å; M138-S337 WeakPolarHBondContact CE-OG 3.32Å; M138-V339 HydrophobicContact CE-CG2 3.38Å; M138-V339 HydrophobicContact SD-CG2 4.33Å; M138-L391 HydrophobicContact CB-CD2 4.41Å; M138-L391 HydrophobicContact CG-CD1 4.08Å
139L90.1Very high94.7Very high17 Ų1734.5 Ų34.59%0.08919%0.191CC..Iπ-helixtrans-66.1-35.9176.1-74176.1000112.4N137 A143 Y182 V187 F204N137-L139 PolarHBondContact O-N 3.1Å; N137-L139 WeakPolarHBondContact OD1-CB 3.35Å; N137-L139 PolarHBondContact OD1-N 3.19Å; N137-L139 VanDerWaalsContact OD1-N 3.12Å; L139-A143 WeakPolarHBondContact O-CB 3.14Å; L139-Y182 WeakPolarHBondContact CD1-OH 3.26Å; L139-V187 HydrophobicContact CD1-CG2 3.79Å; L139-V187 HydrophobicContact CD2-CG2 4.3Å; L139-F204 HydrophobicContact CD1-CB 4.14Å; L139-F204 HydrophobicContact CD1-CD1 3.83Å; L139-F204 HydrophobicContact CD1-CD2 4.34Å; L139-F204 HydrophobicContact CD1-CE1 4.33Å; L139-F204 HydrophobicContact CD1-CG 3.83Å; L139-F204 HydrophobicContact CD2-CD1 4.12Å; L139-F204 HydrophobicContact CD2-CD2 3.4Å; L139-F204 HydrophobicContact CD2-CE1 4.12Å; L139-F204 HydrophobicContact CD2-CE2 3.38Å; L139-F204 HydrophobicContact CD2-CG 3.77Å; L139-F204 HydrophobicContact CD2-CZ 3.76Å; L139-F204 HydrophobicContact CG-CD1 3.65Å; L139-F204 HydrophobicContact CG-CD2 3.91Å; L139-F204 HydrophobicContact CG-CE1 3.66Å; L139-F204 HydrophobicContact CG-CE2 3.9Å; L139-F204 HydrophobicContact CG-CG 3.78Å; L139-F204 HydrophobicContact CG-CZ 3.77Å
140V94Very high94.6Very high0 Ų035.1 Ų35.10%020%0.195CC..Iπ-helixtrans-91.4-58.6-176.4175.20000110.5N137 M138 A144 F162 E167 G168 E401N137-V140 HydrophobicContact CB-CB 4.29Å; N137-V140 HydrophobicContact CB-CG2 4.49Å; N137-V140 WeakPolarHBondContact ND2-CG2 3.3Å; N137-V140 PolarHBondContact O-N 3.3Å; N137-V140 VanDerWaalsContact O-N 3.11Å; M138-V140 VanDerWaalsContact C-N 3.34Å; M138-V140 PolarHBondContact O-N 2.96Å; V140-A144 VanDerWaalsContact O-CB 3.3Å; V140-A144 WeakPolarHBondContact O-CB 3.5Å; V140-A144 PolarHBondContact O-N 3.34Å; V140-F162 HydrophobicContact CG1-CD2 4.07Å; V140-F162 HydrophobicContact CG1-CE2 4.18Å; V140-F162 HydrophobicContact CG1-CG 4.46Å; V140-F162 HydrophobicContact CG2-CD1 4.19Å; V140-F162 HydrophobicContact CG2-CE1 4.39Å; V140-F162 HydrophobicContact CG2-CG 4.36Å; V140-E167 HydrophobicContact CG2-CB 3.66Å; V140-G168 WeakPolarHBondContact CG2-O 3.2Å; V140-E401 HydrophobicContact CG1-CB 3.66Å; V140-E401 HydrophobicContact CG1-CG 3.98Å
141L95.6Very high94.6Very high2 Ų235.9 Ų35.91%0.0120%0.199CC..Iπ-helixtrans-71.2-36.9-175.5-64.9178.8000111.9P136 N137 A144 V145 P169 L391 M393 T402 I405P136-L141 HydrophobicContact CB-CD1 4.08Å; N137-L141 WeakPolarHBondContact O-CB 3.19Å; N137-L141 PolarHBondContact O-N 2.87Å; L141-A144 PolarHBondContact O-N 3.22Å; L141-V145 PolarHBondContact O-N 3.46Å; L141-P169 HydrophobicContact CD1-CB 4.39Å; L141-P169 WeakPolarHBondContact CD1-O 3.15Å; L141-P169 HydrophobicContact CD2-CB 3.85Å; L141-P169 HydrophobicContact CG-CB 4.19Å; L141-L391 HydrophobicContact CB-CD2 4.02Å; L141-M393 HydrophobicContact CB-CB 4.39Å; L141-M393 HydrophobicContact CD1-CB 4.42Å; L141-M393 HydrophobicContact CD1-SD 3.74Å; L141-T402 HydrophobicContact CD2-CG2 4.26Å; L141-I405 HydrophobicContact CD1-CD1 4.48Å; L141-I405 HydrophobicContact CD2-CD1 3.85Å
142G92.9Very high94.4Very high1 Ų139 Ų391%0.0121%0.207CC..Iπ-helixtrans-66.2-49.1175.200000111.6M138 A144 V145 M146M138-G142 WeakPolarHBondContact O-CA 3.25Å; M138-G142 PolarHBondContact O-N 3.02Å; G142-A144 VanDerWaalsContact C-N 3.3Å; G142-A144 PolarHBondContact O-N 2.83Å; G142-V145 PolarHBondContact O-N 3.27Å; G142-M146 VanDerWaalsContact O-CG 3.3Å; G142-M146 WeakPolarHBondContact O-CG 3.27Å; G142-M146 PolarHBondContact O-N 3.25Å
143A91.2Very high94.3Very high22 Ų2238.6 Ų38.618%0.18221%0.212CC..Hα-helixtrans-61.9-37.3176.300000112.3L139 V145 M146 L147 F162L139-A143 WeakPolarHBondContact O-CB 3.14Å; A143-V145 VanDerWaalsContact C-N 3.29Å; A143-V145 PolarHBondContact O-N 3.2Å; A143-M146 PolarHBondContact O-N 3.01Å; A143-L147 HydrophobicContact CB-CD1 4.31Å; A143-L147 VanDerWaalsContact O-CB 3.25Å; A143-L147 WeakPolarHBondContact O-CB 3.05Å; A143-L147 WeakPolarHBondContact O-CG 3.39Å; A143-L147 PolarHBondContact O-N 3.22Å; A143-F162 HydrophobicContact CB-CZ 4.13Å
144A94.5Very high94.1Very high0 Ų042.2 Ų42.20%023%0.231CC..Hα-helixtrans-57.9-42.8177.600000112.2V140 L141 G142 E148 I396 I399 T402V140-A144 VanDerWaalsContact O-CB 3.3Å; V140-A144 WeakPolarHBondContact O-CB 3.5Å; V140-A144 PolarHBondContact O-N 3.34Å; L141-A144 PolarHBondContact O-N 3.22Å; G142-A144 VanDerWaalsContact C-N 3.3Å; G142-A144 PolarHBondContact O-N 2.83Å; A144-E148 PolarHBondContact O-N 3.3Å; A144-I396 HydrophobicContact CB-CG1 4.17Å; A144-I399 HydrophobicContact CB-CD1 3.73Å; A144-I399 HydrophobicContact CB-CG2 4.12Å; A144-T402 HydrophobicContact CB-CG2 3.59Å
145V94.3Very high93.9Very high14 Ų1443.4 Ų43.49%0.08523%0.233CC..Hα-helixtrans-69.8-43.6175.3175.20000111.3L141 G142 A143 L147 E148 P338 Y392 K394L141-V145 PolarHBondContact O-N 3.46Å; G142-V145 PolarHBondContact O-N 3.27Å; A143-V145 VanDerWaalsContact C-N 3.29Å; A143-V145 PolarHBondContact O-N 3.2Å; V145-L147 PolarHBondContact O-N 2.87Å; V145-E148 WeakPolarHBondContact O-CB 3.18Å; V145-E148 WeakPolarHBondContact O-CG 3.37Å; V145-E148 PolarHBondContact O-N 2.96Å; V145-P338 HydrophobicContact CB-CB 4.45Å; V145-P338 HydrophobicContact CB-CG 4.18Å; V145-P338 HydrophobicContact CG1-CB 4.12Å; V145-P338 HydrophobicContact CG1-CG 4.38Å; V145-Y392 HydrophobicContact CG1-CD1 3.96Å; V145-Y392 HydrophobicContact CG1-CE1 3.93Å; V145-Y392 HydrophobicContact CG2-CD1 4.45Å; V145-Y392 HydrophobicContact CG2-CE1 4.5Å; V145-K394 HydrophobicContact CG2-CG 4.18Å
146M92.1Very high93.8Very high87 Ų8746.7 Ų46.743%0.42925%0.25SS..Hα-helixtrans-61.9-29.6179.5-68.5171.569.400113.3G142 A143 Y335 N336G142-M146 VanDerWaalsContact O-CG 3.3Å; G142-M146 WeakPolarHBondContact O-CG 3.27Å; G142-M146 PolarHBondContact O-N 3.25Å; A143-M146 PolarHBondContact O-N 3.01Å; M146-Y335 VanDerWaalsContact CE-O 3.26Å; M146-Y335 WeakPolarHBondContact CE-O 3.43Å; M146-N336 HydrophobicContact CE-CB 4.07Å; M146-N336 WeakPolarHBondContact CG-O 3.32Å
147L90.9Very high93.7Very high58 Ų5852 Ų5230%0.30428%0.278SS..THydrogen-bonded Turntrans-104.916.6-173.9-58.6174.6000112A143 V145 D149 L150 I158A143-L147 HydrophobicContact CB-CD1 4.31Å; A143-L147 VanDerWaalsContact O-CB 3.25Å; A143-L147 WeakPolarHBondContact O-CB 3.05Å; A143-L147 WeakPolarHBondContact O-CG 3.39Å; A143-L147 PolarHBondContact O-N 3.22Å; V145-L147 PolarHBondContact O-N 2.87Å; L147-D149 VanDerWaalsContact C-N 3.3Å; L147-D149 PolarHBondContact O-N 2.94Å; L147-L150 HydrophobicContact CB-CD1 3.91Å; L147-L150 HydrophobicContact CB-CG 4.32Å; L147-L150 HydrophobicContact CD2-CD1 3.87Å; L147-L150 HydrophobicContact CG-CD1 4.34Å; L147-L150 WeakPolarHBondContact O-CB 3.32Å; L147-L150 PolarHBondContact O-N 3.16Å; L147-I158 HydrophobicContact CB-CD1 4.3Å; L147-I158 HydrophobicContact CD1-CD1 3.76Å; L147-I158 HydrophobicContact CD1-CG2 4.46Å
148E93Very high93.5Very high62 Ų6253.2 Ų53.229%0.2928%0.284SS..THydrogen-bonded Turntrans-65.3-32.8-172.972.3171.9149.600114.2A144 V145 L150 K394 I396A144-E148 PolarHBondContact O-N 3.3Å; V145-E148 WeakPolarHBondContact O-CB 3.18Å; V145-E148 WeakPolarHBondContact O-CG 3.37Å; V145-E148 PolarHBondContact O-N 2.96Å; E148-L150 PolarHBondContact O-N 3.19Å; E148-K394 IonicContact OE1-NZ 3.56Å; E148-K394 PolarHBondContact OE1-NZ 2.91Å; E148-K394 WeakPolarHBondContact OE2-CE 3.38Å; E148-K394 IonicContact OE2-NZ 3.47Å; E148-K394 PolarHBondContact OE2-NZ 3.4Å; E148-I396 HydrophobicContact CB-CD1 3.77Å; E148-I396 HydrophobicContact CB-CG2 4.37Å
149D93.1Very high93.6Very high153 Ų15351.6 Ų51.682%0.81828%0.276SS*.THydrogen-bonded Turntrans-79.1-4.3-179.1-66.9-39.6000112.9L147L147-D149 VanDerWaalsContact C-N 3.3Å; L147-D149 PolarHBondContact O-N 2.94Å
150L94Very high93.9Very high55 Ų5553.2 Ų53.229%0.28829%0.293SS..SBendtrans-69.4150.5177.2-67.9-174.4000112.2L147 E148 Y152 L154 R155 I158L147-L150 HydrophobicContact CB-CD1 3.91Å; L147-L150 HydrophobicContact CB-CG 4.32Å; L147-L150 HydrophobicContact CD2-CD1 3.87Å; L147-L150 HydrophobicContact CG-CD1 4.34Å; L147-L150 WeakPolarHBondContact O-CB 3.32Å; L147-L150 PolarHBondContact O-N 3.16Å; E148-L150 PolarHBondContact O-N 3.19Å; L150-Y152 PolarHBondContact O-N 2.86Å; L150-L154 HydrophobicContact CB-CD2 4.36Å; L150-L154 HydrophobicContact CD1-CD2 3.74Å; L150-L154 HydrophobicContact CD1-CG 4.1Å; L150-L154 HydrophobicContact CD2-CD2 4.21Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; L150-R155 HydrophobicContact CB-CG 4.2Å; L150-R155 PolarHBondContact O-NE 2.92Å; L150-I158 HydrophobicContact CD1-CD1 3.78Å
151P96.5Very high93.8Very high89 Ų8955.4 Ų55.458%0.57831%0.306SS*.  trans-51.4142.1174.5-26.534.6000112A153 L154 R155P151-A153 VanDerWaalsContact C-N 3.25Å; P151-A153 PolarHBondContact O-N 3.42Å; P151-A153 VanDerWaalsContact O-N 3.15Å; P151-L154 WeakPolarHBondContact O-CB 3.37Å; P151-L154 PolarHBondContact O-N 3.05Å; P151-R155 PolarHBondContact O-N 3.44Å; P151-R155 VanDerWaalsContact O-N 3.12Å
152Y94.7Very high93.7Very high123 Ų12355.9 Ų55.948%0.48231%0.308SS..Hα-helixtrans-53.3-40.7-174.6-177.7-99.7000113.5L150 L154 R155 L156L150-Y152 PolarHBondContact O-N 2.86Å; Y152-L154 VanDerWaalsContact C-N 3.32Å; Y152-L154 PolarHBondContact O-N 3.24Å; Y152-R155 PolarHBondContact O-N 2.03Å; Y152-L156 HydrophobicContact CD1-CD1 3.95Å; Y152-L156 HydrophobicContact CD1-CG 4.38Å; Y152-L156 HydrophobicContact CE1-CD1 3.48Å; Y152-L156 VanDerWaalsContact CE1-CD1 3.48Å; Y152-L156 HydrophobicContact CE1-CD2 4.44Å; Y152-L156 HydrophobicContact CE1-CG 3.97Å; Y152-L156 PolarHBondContact O-N 3.14Å
153A95.1Very high93.7Very high68 Ų6861.3 Ų61.356%0.56233%0.334SS*.Hα-helixtrans-61.7-37.817700000112.9P151 L156 L157P151-A153 VanDerWaalsContact C-N 3.25Å; P151-A153 PolarHBondContact O-N 3.42Å; P151-A153 VanDerWaalsContact O-N 3.15Å; A153-L156 PolarHBondContact O-N 3.16Å; A153-L157 WeakPolarHBondContact O-CG 3.3Å; A153-L157 PolarHBondContact O-N 3.05Å
154L93.9Very high93.9Very high76 Ų7667.3 Ų67.340%0.39836%0.36SS..Hα-helixtrans-72-36.5178.2-17255.6000111.3L150 P151 Y152 L156 L157 I158L150-L154 HydrophobicContact CB-CD2 4.36Å; L150-L154 HydrophobicContact CD1-CD2 3.74Å; L150-L154 HydrophobicContact CD1-CG 4.1Å; L150-L154 HydrophobicContact CD2-CD2 4.21Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; P151-L154 WeakPolarHBondContact O-CB 3.37Å; P151-L154 PolarHBondContact O-N 3.05Å; Y152-L154 VanDerWaalsContact C-N 3.32Å; Y152-L154 PolarHBondContact O-N 3.24Å; L154-L156 VanDerWaalsContact C-N 3.34Å; L154-L156 PolarHBondContact O-N 2.74Å; L154-L157 HydrophobicContact CD1-CD1 4.24Å; L154-L157 WeakPolarHBondContact O-CB 3.23Å; L154-L157 PolarHBondContact O-N 2.84Å; L154-L157 VanDerWaalsContact O-N 3.17Å; L154-I158 HydrophobicContact CG-CD1 4.36Å; L154-I158 WeakPolarHBondContact O-CG1 3.05Å; L154-I158 PolarHBondContact O-N 2.85Å
155R95.4Very high93.8Very high42 Ų4269.6 Ų69.616%0.15837%0.37CS..Hα-helixtrans-60.4-40.8171.5-72.5-175.5-75.1160-6.3112.4L150 P151 Y152 L157 I158 S159 S397 G398 I399L150-R155 HydrophobicContact CB-CG 4.2Å; L150-R155 PolarHBondContact O-NE 2.92Å; P151-R155 PolarHBondContact O-N 3.44Å; P151-R155 VanDerWaalsContact O-N 3.12Å; Y152-R155 PolarHBondContact O-N 2.03Å; R155-L157 VanDerWaalsContact C-N 3.34Å; R155-L157 PolarHBondContact O-N 2.87Å; R155-I158 WeakPolarHBondContact O-CB 3.07Å; R155-I158 PolarHBondContact O-N 3.42Å; R155-S159 WeakPolarHBondContact O-CB 3.45Å; R155-S159 PolarHBondContact O-N 3.07Å; R155-S397 PolarHBondContact NH1-O 3.29Å; R155-G398 CarbonylContact C-O 3.57Å; R155-I399 HydrophobicContact CB-CG1 4.04Å; R155-I399 HydrophobicContact CG-CD1 4.46Å; R155-I399 HydrophobicContact CG-CG1 4.44Å
156L94.7Very high93.7Very high73 Ų7378.1 Ų78.138%0.38241%0.407SS..Hα-helixtrans-62.3-38.7173.2-72.9174.5000112.7Y152 A153 L154 S159 A160 G398Y152-L156 HydrophobicContact CD1-CD1 3.95Å; Y152-L156 HydrophobicContact CD1-CG 4.38Å; Y152-L156 HydrophobicContact CE1-CD1 3.48Å; Y152-L156 VanDerWaalsContact CE1-CD1 3.48Å; Y152-L156 HydrophobicContact CE1-CD2 4.44Å; Y152-L156 HydrophobicContact CE1-CG 3.97Å; Y152-L156 PolarHBondContact O-N 3.14Å; A153-L156 PolarHBondContact O-N 3.16Å; L154-L156 VanDerWaalsContact C-N 3.34Å; L154-L156 PolarHBondContact O-N 2.74Å; L156-S159 PolarHBondContact O-N 3.05Å; L156-A160 WeakPolarHBondContact O-CB 3.41Å; L156-A160 PolarHBondContact O-N 2.94Å; L156-G398 WeakPolarHBondContact CA-O 3.21Å; L156-G398 PolarHBondContact N-O 3.01Å
157L93.8Very high93.7Very high112 Ų11275 Ų7559%0.58639%0.391SS*.Hα-helixtrans-66.4-40.1175.4-68.6175.1000112A153 L154 R155 A160 T161A153-L157 WeakPolarHBondContact O-CG 3.3Å; A153-L157 PolarHBondContact O-N 3.05Å; L154-L157 HydrophobicContact CD1-CD1 4.24Å; L154-L157 WeakPolarHBondContact O-CB 3.23Å; L154-L157 PolarHBondContact O-N 2.84Å; L154-L157 VanDerWaalsContact O-N 3.17Å; R155-L157 VanDerWaalsContact C-N 3.34Å; R155-L157 PolarHBondContact O-N 2.87Å; L157-A160 PolarHBondContact O-N 3.32Å; L157-T161 PolarHBondContact O-N 2.86Å; L157-T161 PolarHBondContact O-OG1 2.87Å
158I92.4Very high93.9Very high27 Ų2773.6 Ų73.614%0.13839%0.39CS..Hα-helixtrans-61-47.4174.4-69.6158.2000110L147 L150 L154 R155 A160 T161 F162L147-I158 HydrophobicContact CB-CD1 4.3Å; L147-I158 HydrophobicContact CD1-CD1 3.76Å; L147-I158 HydrophobicContact CD1-CG2 4.46Å; L150-I158 HydrophobicContact CD1-CD1 3.78Å; L154-I158 HydrophobicContact CG-CD1 4.36Å; L154-I158 WeakPolarHBondContact O-CG1 3.05Å; L154-I158 PolarHBondContact O-N 2.85Å; R155-I158 WeakPolarHBondContact O-CB 3.07Å; R155-I158 PolarHBondContact O-N 3.42Å; I158-A160 PolarHBondContact O-N 3Å; I158-T161 WeakPolarHBondContact O-CA 3.49Å; I158-T161 VanDerWaalsContact O-CB 3.26Å; I158-T161 WeakPolarHBondContact O-CB 3.33Å; I158-T161 PolarHBondContact O-N 3.05Å; I158-F162 HydrophobicContact CG2-CD2 4.09Å; I158-F162 HydrophobicContact CG2-CE1 4.42Å; I158-F162 HydrophobicContact CG2-CE2 3.45Å; I158-F162 VanDerWaalsContact CG2-CE2 3.45Å; I158-F162 HydrophobicContact CG2-CZ 3.64Å; I158-F162 PolarHBondContact O-N 2.82Å
159S94.3Very high94Very high2 Ų271.6 Ų71.61%0.01438%0.382CS..Hα-helixtrans-59.3-46.5175.8-164.90000112.2R155 L156 T161 F162 M163 G398 I400 E401R155-S159 WeakPolarHBondContact O-CB 3.45Å; R155-S159 PolarHBondContact O-N 3.07Å; L156-S159 PolarHBondContact O-N 3.05Å; S159-T161 PolarHBondContact O-N 2.8Å; S159-F162 PolarHBondContact O-N 3.16Å; S159-F162 VanDerWaalsContact O-N 3.15Å; S159-M163 PolarHBondContact O-N 2.9Å; S159-G398 WeakPolarHBondContact CB-O 3.18Å; S159-I400 WeakPolarHBondContact OG-CD1 3.14Å; S159-I400 WeakPolarHBondContact OG-CG1 3.39Å; S159-I400 PolarHBondContact OG-N 3.27Å; S159-E401 WeakPolarHBondContact CB-OE2 3.41Å; S159-E401 VanDerWaalsContact O-OE1 3.04Å; S159-E401 PolarHBondContact OG-OE1 3.48Å; S159-E401 PolarHBondContact OG-OE2 3.15Å
160A94.5Very high94.2Very high52 Ų5265.6 Ų65.643%0.4335%0.349SS..Hα-helixtrans-60.1-32.7174.200000112.6L156 L157 I158 M164L156-A160 WeakPolarHBondContact O-CB 3.41Å; L156-A160 PolarHBondContact O-N 2.94Å; L157-A160 PolarHBondContact O-N 3.32Å; I158-A160 PolarHBondContact O-N 3Å; A160-M164 WeakPolarHBondContact O-CB 3.45Å; A160-M164 PolarHBondContact O-N 3.35Å
161T92.7Very high94.3Very high46 Ų4663.9 Ų63.928%0.28234%0.34SS..Hα-helixtrans-67.9-47.5174.9-55.20000110.8L157 I158 S159 M163 M164 F165 L186L157-T161 PolarHBondContact O-N 2.86Å; L157-T161 PolarHBondContact O-OG1 2.87Å; I158-T161 WeakPolarHBondContact O-CA 3.49Å; I158-T161 VanDerWaalsContact O-CB 3.26Å; I158-T161 WeakPolarHBondContact O-CB 3.33Å; I158-T161 PolarHBondContact O-N 3.05Å; S159-T161 PolarHBondContact O-N 2.8Å; T161-M163 VanDerWaalsContact C-N 3.32Å; T161-M163 PolarHBondContact O-N 2.84Å; T161-M164 WeakPolarHBondContact O-CB 3.24Å; T161-M164 PolarHBondContact O-N 3.32Å; T161-M164 VanDerWaalsContact O-N 3.16Å; T161-F165 HydrophobicContact CG2-CD2 3.79Å; T161-F165 HydrophobicContact CG2-CE2 3.9Å; T161-F165 VanDerWaalsContact O-CD2 3.31Å; T161-F165 WeakPolarHBondContact O-CD2 3.37Å; T161-F165 PolarHBondContact O-N 2.57Å; T161-L186 HydrophobicContact CG2-CD1 3.83Å
162F94.6Very high94.3Very high11 Ų1163.4 Ų63.45%0.04834%0.335CS..Hα-helixtrans-56.5-46.5174.6-64.4-36.1000111.7V140 A143 I158 S159 M164 F165 K166 E167 L186 I399 E401V140-F162 HydrophobicContact CG1-CD2 4.07Å; V140-F162 HydrophobicContact CG1-CE2 4.18Å; V140-F162 HydrophobicContact CG1-CG 4.46Å; V140-F162 HydrophobicContact CG2-CD1 4.19Å; V140-F162 HydrophobicContact CG2-CE1 4.39Å; V140-F162 HydrophobicContact CG2-CG 4.36Å; A143-F162 HydrophobicContact CB-CZ 4.13Å; I158-F162 HydrophobicContact CG2-CD2 4.09Å; I158-F162 HydrophobicContact CG2-CE1 4.42Å; I158-F162 HydrophobicContact CG2-CE2 3.45Å; I158-F162 VanDerWaalsContact CG2-CE2 3.45Å; I158-F162 HydrophobicContact CG2-CZ 3.64Å; I158-F162 PolarHBondContact O-N 2.82Å; S159-F162 PolarHBondContact O-N 3.16Å; S159-F162 VanDerWaalsContact O-N 3.15Å; F162-M164 PolarHBondContact O-N 2.78Å; F162-F165 CarbonylContact O-C 3.55Å; F162-F165 PolarHBondContact O-N 2.84Å; F162-K166 PolarHBondContact O-N 2.82Å; F162-E167 HydrophobicContact CB-CB 4.33Å; F162-E167 HydrophobicContact CD1-CB 4.38Å; F162-E167 PolarHBondContact O-N 2.84Å; F162-L186 HydrophobicContact CD1-CD2 3.78Å; F162-L186 HydrophobicContact CE1-CD2 3.81Å; F162-I399 HydrophobicContact CD2-CG2 4.34Å; F162-I399 HydrophobicContact CE2-CG2 4.27Å; F162-E401 HydrophobicContact CB-CG 4.08Å; F162-E401 HydrophobicContact CD2-CG 4.3Å
163M92.8Very high94.4Very high115 Ų11559.9 Ų59.957%0.56732%0.323SS*.Hα-helixtrans-58.8-45.4173.9-72.7-163.5153.700113.5S159 T161 F165 K166 I400 E401S159-M163 PolarHBondContact O-N 2.9Å; T161-M163 VanDerWaalsContact C-N 3.32Å; T161-M163 PolarHBondContact O-N 2.84Å; M163-F165 VanDerWaalsContact C-N 3.28Å; M163-F165 PolarHBondContact O-N 2.92Å; M163-K166 PolarHBondContact O-N 3.48Å; M163-I400 HydrophobicContact CE-CD1 3.07Å; M163-I400 HydrophobicContact CE-CG1 3.53Å; M163-I400 HydrophobicContact CG-CD1 4.17Å; M163-I400 HydrophobicContact SD-CD1 3.48Å; M163-I400 WeakPolarHBondContact SD-CD1 3.28Å; M163-I400 HydrophobicContact SD-CG1 4.45Å; M163-E401 WeakPolarHBondContact CG-OE1 3.38Å
164M93.8Very high94.5Very high148 Ų14858.1 Ų58.173%0.72931%0.305SS*.Hα-helixtrans-59-41179.2-178.9-177.5-6500111.7A160 T161 F162 K166A160-M164 WeakPolarHBondContact O-CB 3.45Å; A160-M164 PolarHBondContact O-N 3.35Å; T161-M164 WeakPolarHBondContact O-CB 3.24Å; T161-M164 PolarHBondContact O-N 3.32Å; T161-M164 VanDerWaalsContact O-N 3.16Å; F162-M164 PolarHBondContact O-N 2.78Å; M164-K166 VanDerWaalsContact C-N 3.31Å
165F92.8Very high94.7Very high48 Ų4854.5 Ų54.521%0.21129%0.286CS..Hα-helixtrans-86.2-0.5178.2-74.1-80.8000113.8T161 F162 M163 E167 K185 L186 F189T161-F165 HydrophobicContact CG2-CD2 3.79Å; T161-F165 HydrophobicContact CG2-CE2 3.9Å; T161-F165 VanDerWaalsContact O-CD2 3.31Å; T161-F165 WeakPolarHBondContact O-CD2 3.37Å; T161-F165 PolarHBondContact O-N 2.57Å; F162-F165 CarbonylContact O-C 3.55Å; F162-F165 PolarHBondContact O-N 2.84Å; M163-F165 VanDerWaalsContact C-N 3.28Å; M163-F165 PolarHBondContact O-N 2.92Å; F165-E167 VanDerWaalsContact C-N 3.26Å; F165-E167 HydrophobicContact CB-CG 4.11Å; F165-E167 PolarHBondContact O-N 3.31Å; F165-K185 HydrophobicContact CD1-CB 3.7Å; F165-K185 HydrophobicContact CE1-CB 4.08Å; F165-K185 WeakPolarHBondContact CE1-O 3.29Å; F165-L186 HydrophobicContact CB-CB 4.06Å; F165-L186 HydrophobicContact CD1-CB 4.31Å; F165-L186 HydrophobicContact CD2-CB 4.43Å; F165-L186 HydrophobicContact CD2-CD1 3.78Å; F165-L186 HydrophobicContact CE2-CD1 4.13Å; F165-L186 HydrophobicContact CG-CB 4.02Å; F165-L186 HydrophobicContact CG-CD1 4.22Å; F165-F189 HydrophobicContact CE1-CB 3.94Å; F165-F189 HydrophobicContact CE1-CG 4.38Å; F165-F189 HydrophobicContact CE2-CB 4.42Å; F165-F189 HydrophobicContact CE2-CD1 4.16Å; F165-F189 HydrophobicContact CE2-CG 4.15Å; F165-F189 HydrophobicContact CZ-CB 3.58Å; F165-F189 HydrophobicContact CZ-CD1 4.02Å; F165-F189 AromaticContact CZ-CD2 3.88Å; F165-F189 HydrophobicContact CZ-CD2 3.88Å; F165-F189 AromaticContact CZ-CG 3.54Å; F165-F189 HydrophobicContact CZ-CG 3.54Å
166K92.6Very high94.7Very high194 Ų19457.7 Ų57.784%0.84330%0.303SS*.THydrogen-bonded Turntrans58.635.5-176.6-53.3-178.3178-175.10113.1F162 M163 M164F162-K166 PolarHBondContact O-N 2.82Å; M163-K166 PolarHBondContact O-N 3.48Å; M164-K166 VanDerWaalsContact C-N 3.31Å
167E93.1Very high94.7Very high22 Ų2256.9 Ų56.910%0.10330%0.297CS..  trans-85.8112.8175.6-69-70.2175.300109.4N137 V140 F162 F165 S184 L186N137-E167 PolarHBondContact ND2-OE2 3.26Å; V140-E167 HydrophobicContact CG2-CB 3.66Å; F162-E167 HydrophobicContact CB-CB 4.33Å; F162-E167 HydrophobicContact CD1-CB 4.38Å; F162-E167 PolarHBondContact O-N 2.84Å; F165-E167 VanDerWaalsContact C-N 3.26Å; F165-E167 HydrophobicContact CB-CG 4.11Å; F165-E167 PolarHBondContact O-N 3.31Å; E167-S184 PolarHBondContact OE1-OG 2.58Å; E167-L186 HydrophobicContact CG-CB 4.12Å; E167-L186 HydrophobicContact CG-CD2 3.98Å
168G94.4Very high94.8Very high27 Ų2751.7 Ų51.728%0.27827%0.27SS..  trans-94.8167.2-179.600000113.3N137 V140 F170N137-G168 WeakPolarHBondContact CB-O 3.49Å; N137-G168 PolarHBondContact ND2-O 2.9Å; V140-G168 WeakPolarHBondContact CG2-O 3.2Å; G168-F170 VanDerWaalsContact C-N 3.27Å; G168-F170 PolarHBondContact O-N 3.24Å
169P95.8Very high94.8Very high20 Ų2050.4 Ų50.413%0.1326%0.263CS..SBendtrans-69-23.217926.9-33.9000113.8L78 N137 L141 E401L78-P169 HydrophobicContact CD1-CG 3.68Å; L78-P169 HydrophobicContact CD2-CB 3.95Å; L78-P169 HydrophobicContact CD2-CG 3.62Å; L78-P169 HydrophobicContact CG-CG 4.2Å; N137-P169 VanDerWaalsContact CB-O 3.31Å; N137-P169 WeakPolarHBondContact CB-O 3.45Å; N137-P169 PolarHBondContact N-O 3.39Å; L141-P169 HydrophobicContact CD1-CB 4.39Å; L141-P169 WeakPolarHBondContact CD1-O 3.15Å; L141-P169 HydrophobicContact CD2-CB 3.85Å; L141-P169 HydrophobicContact CG-CB 4.19Å; P169-E401 VanDerWaalsContact CB-O 3.29Å; P169-E401 WeakPolarHBondContact CB-O 3.32Å; P169-E401 WeakPolarHBondContact CG-O 3.36Å
170F97Very high94.7Very high27 Ų2752.3 Ų52.312%0.11827%0.27CS..EExtended strand (participates in β ladder)trans-118.1141.9173.1-64.5-82.9000109.6V71 P74 I77 L78 T134 I135 P136 G168V71-F170 HydrophobicContact CB-CD1 4.5Å; V71-F170 HydrophobicContact CG1-CD1 4.26Å; V71-F170 HydrophobicContact CG1-CE1 3.96Å; V71-F170 HydrophobicContact CG2-CD1 4.27Å; V71-F170 HydrophobicContact CG2-CE1 4.21Å; P74-F170 HydrophobicContact CB-CB 4.27Å; P74-F170 HydrophobicContact CB-CD1 4.28Å; P74-F170 HydrophobicContact CB-CD2 3.41Å; P74-F170 VanDerWaalsContact CB-CD2 3.41Å; P74-F170 HydrophobicContact CB-CE2 3.73Å; P74-F170 HydrophobicContact CB-CG 3.72Å; P74-F170 HydrophobicContact CB-CZ 4.29Å; P74-F170 VanDerWaalsContact O-CE2 3.31Å; P74-F170 WeakPolarHBondContact O-CE2 3.4Å; I77-F170 HydrophobicContact CB-CE2 4.4Å; I77-F170 HydrophobicContact CB-CZ 3.99Å; I77-F170 HydrophobicContact CD1-CE1 4.18Å; I77-F170 HydrophobicContact CD1-CZ 3.78Å; I77-F170 HydrophobicContact CG2-CE2 4.41Å; I77-F170 HydrophobicContact CG2-CZ 3.79Å; L78-F170 HydrophobicContact CD2-CE2 4.37Å; L78-F170 HydrophobicContact CG-CE2 4.12Å; T134-F170 HydrophobicContact CG2-CB 4.03Å; I135-F170 WeakPolarHBondContact O-CA 3.4Å; P136-F170 HydrophobicContact CG-CE1 4.45Å; G168-F170 VanDerWaalsContact C-N 3.27Å; G168-F170 PolarHBondContact O-N 3.24Å
171L94.7Very high94.6Very high20 Ų2050.1 Ų50.111%0.10525%0.253CS..EExtended strand (participates in β ladder)trans-112.3125.5-177.8178.269.6000108.6T134 I135 N137 K173 L178 Y182T134-L171 CarbonylContact C-O 3.52Å; T134-L171 VanDerWaalsContact CA-O 3.28Å; T134-L171 WeakPolarHBondContact CA-O 3.47Å; I135-L171 PolarHBondContact N-O 3.03Å; I135-L171 PolarHBondContact O-N 2.95Å; N137-L171 HydrophobicContact CB-CB 3.98Å; L171-K173 HydrophobicContact CD1-CD 4.38Å; L171-K173 HydrophobicContact CD1-CG 3.55Å; L171-K173 HydrophobicContact CD2-CG 3.91Å; L171-K173 HydrophobicContact CG-CB 4.37Å; L171-K173 HydrophobicContact CG-CG 3.54Å; L171-L178 HydrophobicContact CD2-CD2 3.83Å; L171-L178 HydrophobicContact CG-CD2 4.49Å; L171-Y182 HydrophobicContact CD1-CE2 4.32Å; L171-Y182 HydrophobicContact CD2-CD1 4.27Å; L171-Y182 HydrophobicContact CD2-CE1 3.41Å; L171-Y182 VanDerWaalsContact CD2-CE1 3.41Å; L171-Y182 HydrophobicContact CD2-CE2 4.48Å; L171-Y182 WeakPolarHBondContact CD2-OH 3.38Å
172T97.1Very high94.5Very high78 Ų7848.3 Ų48.348%0.47924%0.241SC..EExtended strand (participates in β ladder)trans-112.5111.4175.8-59.50000109.2V132 I133 T134V132-T172 HydrophobicContact CG1-CG2 3.28Å; I133-T172 WeakPolarHBondContact O-CA 3.49Å; T134-T172 WeakPolarHBondContact CG2-OG1 3.39Å; T134-T172 PolarHBondContact OG1-OG1 2.93Å
173K96.6Very high94.3Very high50 Ų5052.6 Ų52.622%0.21726%0.264CS..EExtended strand (participates in β ladder)trans-147.2164.1-169.4-75.2-69.5-178.4175.60111.3V132 I133 L171 E177 L178 Y182V132-K173 WeakPolarHBondContact CA-O 3.3Å; I133-K173 PolarHBondContact N-O 3.21Å; I133-K173 PolarHBondContact O-N 3.39Å; L171-K173 HydrophobicContact CD1-CD 4.38Å; L171-K173 HydrophobicContact CD1-CG 3.55Å; L171-K173 HydrophobicContact CD2-CG 3.91Å; L171-K173 HydrophobicContact CG-CB 4.37Å; L171-K173 HydrophobicContact CG-CG 3.54Å; K173-E177 HydrophobicContact CB-CB 4.04Å; K173-E177 HydrophobicContact CD-CB 4.22Å; K173-E177 VanDerWaalsContact CD-CD 3.42Å; K173-E177 HydrophobicContact CD-CG 4.43Å; K173-E177 WeakPolarHBondContact CD-OE1 3.08Å; K173-E177 WeakPolarHBondContact CD-OE2 3.44Å; K173-E177 IonicContact NZ-OE1 2.67Å; K173-E177 PolarHBondContact NZ-OE1 3.04Å; K173-E177 IonicContact NZ-OE2 3.4Å; K173-L178 HydrophobicContact CB-CD2 3.77Å; K173-L178 HydrophobicContact CB-CG 3.89Å; K173-L178 HydrophobicContact CG-CD2 4.45Å; K173-Y182 HydrophobicContact CD-CG 4.44Å
174T97.8Very high94Very high31 Ų3147.4 Ų47.419%0.1924%0.239CC..EExtended strand (participates in β ladder)trans-70.2159.7173.471.20000111E129 D131 V132 E176 E177 L178E129-T174 WeakPolarHBondContact O-CB 3.32Å; D131-T174 CarbonylContact O-C 3.53Å; D131-T174 WeakPolarHBondContact O-CA 3.38Å; V132-T174 HydrophobicContact CG2-CG2 4.47Å; T174-E176 VanDerWaalsContact C-N 3.27Å; T174-E176 PolarHBondContact O-N 3.01Å; T174-E177 PolarHBondContact N-OE2 3.02Å; T174-E177 VanDerWaalsContact N-OE2 3.07Å; T174-E177 PolarHBondContact O-N 2.89Å; T174-E177 WeakPolarHBondContact OG1-CB 3.24Å; T174-E177 WeakPolarHBondContact OG1-CG 3.27Å; T174-E177 PolarHBondContact OG1-N 3.2Å; T174-E177 PolarHBondContact OG1-OE2 3.29Å; T174-L178 WeakPolarHBondContact O-CG 3.26Å; T174-L178 PolarHBondContact O-N 2.98Å
175V97.1Very high93.9Very high0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-56-42.9173.2168.20000111.4F68 Y91 E129 D131 I133 E177 L178 M179F68-V175 HydrophobicContact CD2-CG2 4.46Å; F68-V175 HydrophobicContact CE2-CB 4.49Å; F68-V175 HydrophobicContact CE2-CG1 3.9Å; F68-V175 HydrophobicContact CE2-CG2 4.11Å; F68-V175 HydrophobicContact CZ-CG1 4.32Å; Y91-V175 HydrophobicContact CD1-CB 4.45Å; Y91-V175 HydrophobicContact CD1-CG1 4.02Å; Y91-V175 HydrophobicContact CD1-CG2 4.08Å; Y91-V175 HydrophobicContact CD2-CG1 4.22Å; Y91-V175 HydrophobicContact CD2-CG2 3.96Å; Y91-V175 HydrophobicContact CE1-CB 4.5Å; Y91-V175 HydrophobicContact CE1-CG2 3.78Å; Y91-V175 HydrophobicContact CE2-CG2 3.65Å; Y91-V175 HydrophobicContact CG-CG1 3.85Å; Y91-V175 HydrophobicContact CG-CG2 4.17Å; E129-V175 PolarHBondContact O-N 3.24Å; E129-V175 VanDerWaalsContact O-N 3.12Å; D131-V175 HydrophobicContact CB-CG2 4.3Å; D131-V175 PolarHBondContact O-N 2.97Å; I133-V175 HydrophobicContact CD1-CG2 3.51Å; I133-V175 HydrophobicContact CG1-CG2 4.12Å; V175-E177 VanDerWaalsContact C-N 3.34Å; V175-E177 PolarHBondContact O-N 2.86Å; V175-L178 PolarHBondContact O-N 3.13Å; V175-M179 HydrophobicContact CG1-CG 4.19Å; V175-M179 WeakPolarHBondContact O-CB 3.22Å; V175-M179 VanDerWaalsContact O-CG 3.3Å; V175-M179 WeakPolarHBondContact O-CG 3.13Å; V175-M179 PolarHBondContact O-N 3.45Å
176E95.8Very high93.6Very high108 Ų10845.7 Ų45.751%0.50523%0.228SC..Hα-helixtrans-56.1-48.7176.5-165.9-174.6167.400111.4E129 T174 M179 W180E129-E176 HydrophobicContact CB-CB 3.93Å; E129-E176 PolarHBondContact O-N 3.43Å; T174-E176 VanDerWaalsContact C-N 3.27Å; T174-E176 PolarHBondContact O-N 3.01Å; E176-M179 PolarHBondContact O-N 2.82Å; E176-W180 PolarHBondContact O-N 3.48Å
177E95.3Very high93.4Very high56 Ų5636.6 Ų36.626%0.26219%0.189SC..Hα-helixtrans-65-39.2-179.3-78.6-178.1116.700111.9K173 T174 V175 G181K173-E177 HydrophobicContact CB-CB 4.04Å; K173-E177 HydrophobicContact CD-CB 4.22Å; K173-E177 VanDerWaalsContact CD-CD 3.42Å; K173-E177 HydrophobicContact CD-CG 4.43Å; K173-E177 WeakPolarHBondContact CD-OE1 3.08Å; K173-E177 WeakPolarHBondContact CD-OE2 3.44Å; K173-E177 IonicContact NZ-OE1 2.67Å; K173-E177 PolarHBondContact NZ-OE1 3.04Å; K173-E177 IonicContact NZ-OE2 3.4Å; T174-E177 PolarHBondContact N-OE2 3.02Å; T174-E177 VanDerWaalsContact N-OE2 3.07Å; T174-E177 PolarHBondContact O-N 2.89Å; T174-E177 WeakPolarHBondContact OG1-CB 3.24Å; T174-E177 WeakPolarHBondContact OG1-CG 3.27Å; T174-E177 PolarHBondContact OG1-N 3.2Å; T174-E177 PolarHBondContact OG1-OE2 3.29Å; V175-E177 VanDerWaalsContact C-N 3.34Å; V175-E177 PolarHBondContact O-N 2.86Å; E177-G181 CarbonylContact O-C 3.49Å; E177-G181 WeakPolarHBondContact O-CA 3.38Å; E177-G181 PolarHBondContact O-N 3.2Å
178L95.3Very high93.2Very high3 Ų341.1 Ų41.12%0.01621%0.21CC..Hα-helixtrans-70.1-39.6178-68.9179.4000112.4F68 I133 I135 L171 K173 T174 V175 L206F68-L178 HydrophobicContact CD1-CD1 4.16Å; F68-L178 HydrophobicContact CE1-CB 3.93Å; F68-L178 HydrophobicContact CE1-CD1 3.92Å; F68-L178 HydrophobicContact CZ-CB 4.25Å; I133-L178 HydrophobicContact CB-CD1 3.92Å; I133-L178 HydrophobicContact CG2-CD1 4.35Å; I135-L178 HydrophobicContact CD1-CD1 4.22Å; I135-L178 HydrophobicContact CD1-CD2 3.65Å; I135-L178 HydrophobicContact CD1-CG 4.47Å; I135-L178 HydrophobicContact CG1-CD1 4.34Å; I135-L178 HydrophobicContact CG1-CD2 3.92Å; I135-L178 HydrophobicContact CG2-CD1 4.34Å; L171-L178 HydrophobicContact CD2-CD2 3.83Å; L171-L178 HydrophobicContact CG-CD2 4.49Å; K173-L178 HydrophobicContact CB-CD2 3.77Å; K173-L178 HydrophobicContact CB-CG 3.89Å; K173-L178 HydrophobicContact CG-CD2 4.45Å; T174-L178 WeakPolarHBondContact O-CG 3.26Å; T174-L178 PolarHBondContact O-N 2.98Å; V175-L178 PolarHBondContact O-N 3.13Å; L178-L206 PolarHBondContact O-N 2.9Å
179M93.3Very high92.9Very high0 Ų043.5 Ų43.50%021%0.213CC..Hα-helixtrans-72.7-59.6179.8-73.4-63.4-67.100111.6M64 V66 F68 Y93 V175 E176 F207 A208M64-M179 HydrophobicContact CE-CE 4.19Å; M64-M179 HydrophobicContact SD-CE 4.43Å; V66-M179 HydrophobicContact CB-SD 4.38Å; V66-M179 HydrophobicContact CG1-SD 3.92Å; V66-M179 HydrophobicContact CG2-CE 3.76Å; V66-M179 HydrophobicContact CG2-SD 4.05Å; F68-M179 HydrophobicContact CZ-CG 3.95Å; F68-M179 HydrophobicContact CZ-SD 3.84Å; Y93-M179 HydrophobicContact CE2-CE 4.14Å; Y93-M179 HydrophobicContact CE2-CG 4.46Å; V175-M179 HydrophobicContact CG1-CG 4.19Å; V175-M179 WeakPolarHBondContact O-CB 3.22Å; V175-M179 VanDerWaalsContact O-CG 3.3Å; V175-M179 WeakPolarHBondContact O-CG 3.13Å; V175-M179 PolarHBondContact O-N 3.45Å; E176-M179 PolarHBondContact O-N 2.82Å; M179-F207 HydrophobicContact CE-CD2 3.52Å; M179-F207 HydrophobicContact CE-CE2 3.97Å; M179-F207 HydrophobicContact CE-CG 4.22Å; M179-F207 CarbonylContact O-C 3.53Å; M179-F207 VanDerWaalsContact O-CA 3.23Å; M179-F207 WeakPolarHBondContact O-CA 3.35Å; M179-F207 WeakPolarHBondContact O-CB 3.3Å; M179-F207 PolarHBondContact O-N 2.9Å; M179-F207 HydrophobicContact SD-CD2 3.56Å; M179-F207 VanDerWaalsContact SD-CD2 3.56Å; M179-F207 HydrophobicContact SD-CE2 3.82Å; M179-A208 PolarHBondContact O-N 2.75Å
180W92.7Very high92.4Very high43 Ų4343.4 Ų43.416%0.16321%0.211CC..Hα-helixtrans-101.2-8.2-166.1-48.3120.9000113.4Y93 Y118 E129 E176 F207 A208 F210 N211Y93-W180 AromaticContact CD1-CZ2 3.68Å; Y93-W180 HydrophobicContact CD1-CZ2 3.68Å; Y93-W180 HydrophobicContact CD2-CZ2 4.47Å; Y93-W180 AromaticContact CE1-CE2 3.87Å; Y93-W180 AromaticContact CE1-CZ2 3.52Å; Y93-W180 HydrophobicContact CE1-CZ2 3.52Å; Y93-W180 AromaticContact CE1-NE1 3.6Å; Y93-W180 HydrophobicContact CE2-CZ2 4.34Å; Y93-W180 HydrophobicContact CG-CZ2 4.16Å; Y93-W180 AromaticContact CZ-CZ2 3.88Å; Y93-W180 AromaticContact CZ-NE1 3.86Å; Y118-W180 HydrophobicContact CD1-CH2 4.46Å; Y118-W180 AromaticContact CD2-CH2 3.92Å; Y118-W180 HydrophobicContact CD2-CH2 3.92Å; Y118-W180 HydrophobicContact CD2-CZ3 4.2Å; Y118-W180 AromaticContact CG-CH2 3.75Å; Y118-W180 HydrophobicContact CG-CH2 3.75Å; Y118-W180 HydrophobicContact CG-CZ3 4.49Å; E129-W180 PolarHBondContact OE1-NE1 3.41Å; E176-W180 PolarHBondContact O-N 3.48Å; W180-F207 HydrophobicContact CE3-CB 4.36Å; W180-F207 HydrophobicContact CZ3-CB 4.05Å; W180-A208 WeakPolarHBondContact O-CA 3.37Å; W180-F210 HydrophobicContact CZ3-CB 4.46Å; W180-N211 HydrophobicContact CE3-CB 4.03Å; W180-N211 HydrophobicContact CZ3-CB 4.01Å
181G91.6Very high91.9Very high6 Ų643.9 Ų43.96%0.06222%0.215CC..  trans106.6155170.200000114E177 F204E177-G181 CarbonylContact O-C 3.49Å; E177-G181 WeakPolarHBondContact O-CA 3.38Å; E177-G181 PolarHBondContact O-N 3.2Å; G181-F204 CarbonylContact C-O 3.47Å; G181-F204 WeakPolarHBondContact CA-O 3.18Å
182Y91.4Very high91.5Very high8 Ų850.1 Ų50.13%0.03124%0.241CC..BIsolated β-bridgetrans-124.2159.1178.762.5-84.4000111.1L139 L171 K173 K203 F204L139-Y182 WeakPolarHBondContact CD1-OH 3.26Å; L171-Y182 HydrophobicContact CD1-CE2 4.32Å; L171-Y182 HydrophobicContact CD2-CD1 4.27Å; L171-Y182 HydrophobicContact CD2-CE1 3.41Å; L171-Y182 VanDerWaalsContact CD2-CE1 3.41Å; L171-Y182 HydrophobicContact CD2-CE2 4.48Å; L171-Y182 WeakPolarHBondContact CD2-OH 3.38Å; K173-Y182 HydrophobicContact CD-CG 4.44Å; Y182-K203 WeakPolarHBondContact O-CA 2.97Å; Y182-F204 WeakPolarHBondContact CD1-O 3.11Å; Y182-F204 HydrophobicContact CE1-CB 4.48Å; Y182-F204 AromaticContact CE1-CD1 3.83Å; Y182-F204 HydrophobicContact CE1-CD1 3.83Å; Y182-F204 VanDerWaalsContact CE1-O 3.23Å; Y182-F204 WeakPolarHBondContact CE1-O 3.41Å; Y182-F204 AromaticContact CZ-CD1 3.9Å; Y182-F204 PolarHBondContact N-O 2.97Å; Y182-F204 PolarHBondContact O-N 2.97Å; Y182-F204 VanDerWaalsContact O-N 3.1Å; Y182-F204 WeakPolarHBondContact OH-CD1 3.41Å
183D89.1Confident91Very high100 Ų10052.9 Ų52.954%0.53524%0.244SC..  trans-81.3126.5174.8-59.1-60.2000109.7K203D183-K203 WeakPolarHBondContact OD1-CE 3.48Å; D183-K203 WeakPolarHBondContact OD1-CG 3.09Å; D183-K203 IonicContact OD2-NZ 2.59Å
184S87.8Confident90.4Very high6 Ų654.8 Ų54.84%0.04226%0.255CS..  trans-121.1129.7173.7165.70000109.6E167 L186 V187 E188E167-S184 PolarHBondContact OE1-OG 2.58Å; S184-L186 PolarHBondContact O-N 3.11Å; S184-L186 PolarHBondContact OG-N 3.25Å; S184-V187 PolarHBondContact O-N 3.24Å; S184-V187 VanDerWaalsContact O-N 3.1Å; S184-V187 PolarHBondContact OG-N 2.72Å; S184-E188 PolarHBondContact O-N 2.86Å
185K90.1Very high89.5Confident152 Ų15258.3 Ų58.366%0.66128%0.279SS*.Hα-helixtrans-61.4-31.5175.3-66.9-177.8-179.6179.90112.1F165 F189F165-K185 HydrophobicContact CD1-CB 3.7Å; F165-K185 HydrophobicContact CE1-CB 4.08Å; F165-K185 WeakPolarHBondContact CE1-O 3.29Å; K185-F189 WeakPolarHBondContact O-CB 3.48Å; K185-F189 PolarHBondContact O-N 3.3Å
186L88.1Confident88.5Confident8 Ų862 Ų624%0.04232%0.317CS..Hα-helixtrans-66.3-47.3174.4176.262.4000110T161 F162 F165 E167 S184 E188 F189 L190T161-L186 HydrophobicContact CG2-CD1 3.83Å; F162-L186 HydrophobicContact CD1-CD2 3.78Å; F162-L186 HydrophobicContact CE1-CD2 3.81Å; F165-L186 HydrophobicContact CB-CB 4.06Å; F165-L186 HydrophobicContact CD1-CB 4.31Å; F165-L186 HydrophobicContact CD2-CB 4.43Å; F165-L186 HydrophobicContact CD2-CD1 3.78Å; F165-L186 HydrophobicContact CE2-CD1 4.13Å; F165-L186 HydrophobicContact CG-CB 4.02Å; F165-L186 HydrophobicContact CG-CD1 4.22Å; E167-L186 HydrophobicContact CG-CB 4.12Å; E167-L186 HydrophobicContact CG-CD2 3.98Å; S184-L186 PolarHBondContact O-N 3.11Å; S184-L186 PolarHBondContact OG-N 3.25Å; L186-E188 PolarHBondContact O-N 3.3Å; L186-F189 WeakPolarHBondContact O-CB 3.34Å; L186-F189 PolarHBondContact O-N 3.2Å; L186-L190 HydrophobicContact CD1-CD1 3.92Å; L186-L190 HydrophobicContact CD1-CD2 4.49Å; L186-L190 HydrophobicContact CD1-CG 4.01Å; L186-L190 HydrophobicContact CD2-CD1 4.49Å; L186-L190 HydrophobicContact CG-CD1 3.83Å; L186-L190 HydrophobicContact CG-CG 4.32Å; L186-L190 WeakPolarHBondContact O-CB 3.23Å; L186-L190 VanDerWaalsContact O-CG 3.23Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 2.85Å
187V87.8Confident87.6Confident4 Ų462 Ų622%0.02432%0.318CS..Hα-helixtrans-62-42.8179174.80000111.4L139 S184 L190 N191 L198 G202 F204L139-V187 HydrophobicContact CD1-CG2 3.79Å; L139-V187 HydrophobicContact CD2-CG2 4.3Å; S184-V187 PolarHBondContact O-N 3.24Å; S184-V187 VanDerWaalsContact O-N 3.1Å; S184-V187 PolarHBondContact OG-N 2.72Å; V187-L190 PolarHBondContact O-N 3.34Å; V187-N191 WeakPolarHBondContact CG1-ND2 3.3Å; V187-N191 WeakPolarHBondContact O-CB 3.17Å; V187-N191 PolarHBondContact O-N 2.73Å; V187-N191 PolarHBondContact O-ND2 2.97Å; V187-L198 HydrophobicContact CB-CD1 4.1Å; V187-L198 HydrophobicContact CG1-CD1 3.77Å; V187-L198 HydrophobicContact CG2-CD1 3.92Å; V187-G202 WeakPolarHBondContact CG1-O 3.14Å; V187-F204 HydrophobicContact CG2-CB 4.35Å
188E87.8Confident86.6Confident116 Ų11660.9 Ų60.954%0.54231%0.314SS..Hα-helixtrans-59.6-45.9173.7-71.9178.1-179.700112.3S184 L186 K192S184-E188 PolarHBondContact O-N 2.86Å; L186-E188 PolarHBondContact O-N 3.3Å; E188-K192 VanDerWaalsContact O-CB 3.3Å; E188-K192 WeakPolarHBondContact O-CB 3.25Å; E188-K192 PolarHBondContact O-N 3.03Å
189F88.4Confident85.3Confident78 Ų7863.9 Ų63.934%0.34233%0.334SS..Hα-helixtrans-60.5-48.5177173.2-94.3000111.4F165 K185 L186 K192 Y193F165-F189 HydrophobicContact CE1-CB 3.94Å; F165-F189 HydrophobicContact CE1-CG 4.38Å; F165-F189 HydrophobicContact CE2-CB 4.42Å; F165-F189 HydrophobicContact CE2-CD1 4.16Å; F165-F189 HydrophobicContact CE2-CG 4.15Å; F165-F189 HydrophobicContact CZ-CB 3.58Å; F165-F189 HydrophobicContact CZ-CD1 4.02Å; F165-F189 AromaticContact CZ-CD2 3.88Å; F165-F189 HydrophobicContact CZ-CD2 3.88Å; F165-F189 AromaticContact CZ-CG 3.54Å; F165-F189 HydrophobicContact CZ-CG 3.54Å; K185-F189 WeakPolarHBondContact O-CB 3.48Å; K185-F189 PolarHBondContact O-N 3.3Å; L186-F189 WeakPolarHBondContact O-CB 3.34Å; L186-F189 PolarHBondContact O-N 3.2Å; F189-K192 PolarHBondContact O-N 2.95Å; F189-Y193 AromaticContact CD2-CD2 3.38Å; F189-Y193 HydrophobicContact CD2-CD2 3.38Å; F189-Y193 AromaticContact CD2-CE2 3.68Å; F189-Y193 HydrophobicContact CD2-CE2 3.68Å; F189-Y193 HydrophobicContact CD2-CG 4.45Å; F189-Y193 AromaticContact CE2-CD2 3.43Å; F189-Y193 HydrophobicContact CE2-CD2 3.43Å; F189-Y193 VanDerWaalsContact CE2-CD2 3.43Å; F189-Y193 AromaticContact CE2-CE2 3.83Å; F189-Y193 HydrophobicContact CE2-CE2 3.83Å; F189-Y193 HydrophobicContact CE2-CG 4.16Å; F189-Y193 HydrophobicContact CG-CD2 4.07Å; F189-Y193 HydrophobicContact CZ-CD2 4.16Å; F189-Y193 VanDerWaalsContact O-CD2 3.31Å; F189-Y193 WeakPolarHBondContact O-CD2 3.23Å; F189-Y193 PolarHBondContact O-N 3.09Å
190L86.3Confident84Confident18 Ų1864.8 Ų64.89%0.09434%0.34CS..Hα-helixtrans-63.2-45.2-179.7-68.4174000111.5L186 V187 K192 Y193 L194 M197 L198L186-L190 HydrophobicContact CD1-CD1 3.92Å; L186-L190 HydrophobicContact CD1-CD2 4.49Å; L186-L190 HydrophobicContact CD1-CG 4.01Å; L186-L190 HydrophobicContact CD2-CD1 4.49Å; L186-L190 HydrophobicContact CG-CD1 3.83Å; L186-L190 HydrophobicContact CG-CG 4.32Å; L186-L190 WeakPolarHBondContact O-CB 3.23Å; L186-L190 VanDerWaalsContact O-CG 3.23Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 2.85Å; V187-L190 PolarHBondContact O-N 3.34Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 3.11Å; L190-Y193 PolarHBondContact O-N 2Å; L190-L194 HydrophobicContact CD2-CD1 3.87Å; L190-L194 CarbonylContact O-C 3.52Å; L190-L194 VanDerWaalsContact O-CA 3.24Å; L190-L194 WeakPolarHBondContact O-CA 3.24Å; L190-L194 PolarHBondContact O-N 3.19Å; L190-L194 VanDerWaalsContact O-O 3.08Å; L190-M197 HydrophobicContact CB-CE 4.28Å; L190-M197 HydrophobicContact CD1-CE 3.39Å; L190-M197 HydrophobicContact CD2-CE 3.29Å; L190-M197 HydrophobicContact CD2-SD 4.21Å; L190-M197 HydrophobicContact CG-CE 3.79Å; L190-L198 HydrophobicContact CB-CD1 4.03Å; L190-L198 HydrophobicContact CD1-CD1 3.87Å; L190-L198 HydrophobicContact CD1-CG 4.22Å
191N85.8Confident82.5Confident37 Ų3769 Ų6920%0.19837%0.37CS..Hα-helixtrans-63.5-32.6177.4-77.4-33.1000112.9V187 S200 G202V187-N191 WeakPolarHBondContact CG1-ND2 3.3Å; V187-N191 WeakPolarHBondContact O-CB 3.17Å; V187-N191 PolarHBondContact O-N 2.73Å; V187-N191 PolarHBondContact O-ND2 2.97Å; N191-S200 PolarHBondContact ND2-O 2.82Å; N191-G202 PolarHBondContact ND2-N 3.25Å
192K87.1Confident81.8Confident150 Ų15070.5 Ų70.565%0.65239%0.386SS*.Hα-helixtrans-78.2-40.5179.8-175.4174.7179.3-175.40113.5E188 F189 L190E188-K192 VanDerWaalsContact O-CB 3.3Å; E188-K192 WeakPolarHBondContact O-CB 3.25Å; E188-K192 PolarHBondContact O-N 3.03Å; F189-K192 PolarHBondContact O-N 2.95Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 3.11Å
193Y86.3Confident81.4Confident137 Ų13775.2 Ų75.254%0.53741%0.407SS..Hα-helixtrans-109.2-21.9-170.2-65.2-74.8000114.2F189 L190F189-Y193 AromaticContact CD2-CD2 3.38Å; F189-Y193 HydrophobicContact CD2-CD2 3.38Å; F189-Y193 AromaticContact CD2-CE2 3.68Å; F189-Y193 HydrophobicContact CD2-CE2 3.68Å; F189-Y193 HydrophobicContact CD2-CG 4.45Å; F189-Y193 AromaticContact CE2-CD2 3.43Å; F189-Y193 HydrophobicContact CE2-CD2 3.43Å; F189-Y193 VanDerWaalsContact CE2-CD2 3.43Å; F189-Y193 AromaticContact CE2-CE2 3.83Å; F189-Y193 HydrophobicContact CE2-CE2 3.83Å; F189-Y193 HydrophobicContact CE2-CG 4.16Å; F189-Y193 HydrophobicContact CG-CD2 4.07Å; F189-Y193 HydrophobicContact CZ-CD2 4.16Å; F189-Y193 VanDerWaalsContact O-CD2 3.31Å; F189-Y193 WeakPolarHBondContact O-CD2 3.23Å; F189-Y193 PolarHBondContact O-N 3.09Å; L190-Y193 PolarHBondContact O-N 2Å
194L83.7Confident81.1Confident89 Ų8972 Ų7247%0.46639%0.388SS..SBendtrans-132.362-179.9-64.2174.5000110.3L190 G196 M197L190-L194 HydrophobicContact CD2-CD1 3.87Å; L190-L194 CarbonylContact O-C 3.52Å; L190-L194 VanDerWaalsContact O-CA 3.24Å; L190-L194 WeakPolarHBondContact O-CA 3.24Å; L190-L194 PolarHBondContact O-N 3.19Å; L190-L194 VanDerWaalsContact O-O 3.08Å; L194-G196 PolarHBondContact O-N 3.1Å; L194-M197 HydrophobicContact CB-CB 4.3Å; L194-M197 HydrophobicContact CB-SD 4.4Å; L194-M197 HydrophobicContact CD1-SD 3.95Å; L194-M197 WeakPolarHBondContact O-CB 3.33Å; L194-M197 PolarHBondContact O-N 2.82Å
195P78.8Confident80.8Confident106 Ų10672.5 Ų72.569%0.68840%0.395SS*.THydrogen-bonded Turntrans-60136.9-176.426.3-34.8000111.3
196G75.9Confident80.5Confident77 Ų7766.7 Ų66.779%0.79437%0.371SS*.THydrogen-bonded Turntrans87.9-2.2-179.100000115.2L194L194-G196 PolarHBondContact O-N 3.1Å
197M76.9Confident80.5Confident109 Ų10966.6 Ų66.654%0.53737%0.37SS..SBendtrans-76-30176-159.9-174.382.300112.9L190 L194L190-M197 HydrophobicContact CB-CE 4.28Å; L190-M197 HydrophobicContact CD1-CE 3.39Å; L190-M197 HydrophobicContact CD2-CE 3.29Å; L190-M197 HydrophobicContact CD2-SD 4.21Å; L190-M197 HydrophobicContact CG-CE 3.79Å; L194-M197 HydrophobicContact CB-CB 4.3Å; L194-M197 HydrophobicContact CB-SD 4.4Å; L194-M197 HydrophobicContact CD1-SD 3.95Å; L194-M197 WeakPolarHBondContact O-CB 3.33Å; L194-M197 PolarHBondContact O-N 2.82Å
198L75.7Confident80.4Confident32 Ų3268 Ų6817%0.16838%0.381CS..SBendtrans-105.6146.5173.8-69175.7000110.3V187 L190 S200V187-L198 HydrophobicContact CB-CD1 4.1Å; V187-L198 HydrophobicContact CG1-CD1 3.77Å; V187-L198 HydrophobicContact CG2-CD1 3.92Å; L190-L198 HydrophobicContact CB-CD1 4.03Å; L190-L198 HydrophobicContact CD1-CD1 3.87Å; L190-L198 HydrophobicContact CD1-CG 4.22Å; L198-S200 VanDerWaalsContact C-N 3.3Å; L198-S200 PolarHBondContact O-N 2.88Å
199P66.8Low80.2Confident66 Ų6668.4 Ų68.443%0.42938%0.383SS..SBendtrans-70.1-26.6-178.827.5-34.2000113.5Y335P199-Y335 HydrophobicContact CB-CD1 3.71Å; P199-Y335 HydrophobicContact CB-CD2 3.3Å; P199-Y335 HydrophobicContact CB-CE1 3.79Å; P199-Y335 HydrophobicContact CB-CE2 3.41Å; P199-Y335 VanDerWaalsContact CB-CE2 3.41Å; P199-Y335 HydrophobicContact CB-CG 3.45Å; P199-Y335 VanDerWaalsContact CB-CG 3.45Å; P199-Y335 HydrophobicContact CG-CD2 3.97Å; P199-Y335 HydrophobicContact CG-CE2 4.41Å; P199-Y335 HydrophobicContact CG-CG 4.18Å
200S65.8Low80.1Confident19 Ų1965.7 Ų65.713%0.13337%0.372CS..  trans-117.2135.2-17861.20000111.6N191 L198N191-S200 PolarHBondContact ND2-O 2.82Å; L198-S200 VanDerWaalsContact C-N 3.3Å; L198-S200 PolarHBondContact O-N 2.88Å
201T62.2Low80.2Confident130 Ų13067.4 Ų67.480%0.79838%0.381SS*.SBendtrans-92.8101.6170.349.90000108.7
202G77.2Confident80.4Confident39 Ų3970.3 Ų70.340%0.40240%0.396SS..SBendtrans133.3-135.217900000113.2V187 N191V187-G202 WeakPolarHBondContact CG1-O 3.14Å; N191-G202 PolarHBondContact ND2-N 3.25Å
203K81.6Confident80.6Confident106 Ų10664.5 Ų64.546%0.46138%0.375SS..  trans-68.9144.5-176.8-67.7-174.6171.1-162.90111.7Y182 D183Y182-K203 WeakPolarHBondContact O-CA 2.97Å; D183-K203 WeakPolarHBondContact OD1-CE 3.48Å; D183-K203 WeakPolarHBondContact OD1-CG 3.09Å; D183-K203 IonicContact OD2-NZ 2.59Å
204F82.7Confident80.9Confident33 Ų3360.1 Ų60.115%0.14536%0.361CS..BIsolated β-bridgetrans-102.2127172.6-176-93.8000109.7M138 L139 G181 Y182 V187M138-F204 HydrophobicContact CB-CE1 4.14Å; M138-F204 HydrophobicContact CB-CZ 3.94Å; M138-F204 HydrophobicContact CG-CZ 3.92Å; M138-F204 HydrophobicContact SD-CZ 3.88Å; L139-F204 HydrophobicContact CD1-CB 4.14Å; L139-F204 HydrophobicContact CD1-CD1 3.83Å; L139-F204 HydrophobicContact CD1-CD2 4.34Å; L139-F204 HydrophobicContact CD1-CE1 4.33Å; L139-F204 HydrophobicContact CD1-CG 3.83Å; L139-F204 HydrophobicContact CD2-CD1 4.12Å; L139-F204 HydrophobicContact CD2-CD2 3.4Å; L139-F204 HydrophobicContact CD2-CE1 4.12Å; L139-F204 HydrophobicContact CD2-CE2 3.38Å; L139-F204 HydrophobicContact CD2-CG 3.77Å; L139-F204 HydrophobicContact CD2-CZ 3.76Å; L139-F204 HydrophobicContact CG-CD1 3.65Å; L139-F204 HydrophobicContact CG-CD2 3.91Å; L139-F204 HydrophobicContact CG-CE1 3.66Å; L139-F204 HydrophobicContact CG-CE2 3.9Å; L139-F204 HydrophobicContact CG-CG 3.78Å; L139-F204 HydrophobicContact CG-CZ 3.77Å; G181-F204 CarbonylContact C-O 3.47Å; G181-F204 WeakPolarHBondContact CA-O 3.18Å; Y182-F204 WeakPolarHBondContact CD1-O 3.11Å; Y182-F204 HydrophobicContact CE1-CB 4.48Å; Y182-F204 AromaticContact CE1-CD1 3.83Å; Y182-F204 HydrophobicContact CE1-CD1 3.83Å; Y182-F204 VanDerWaalsContact CE1-O 3.23Å; Y182-F204 WeakPolarHBondContact CE1-O 3.41Å; Y182-F204 AromaticContact CZ-CD1 3.9Å; Y182-F204 PolarHBondContact N-O 2.97Å; Y182-F204 PolarHBondContact O-N 2.97Å; Y182-F204 VanDerWaalsContact O-N 3.1Å; Y182-F204 WeakPolarHBondContact OH-CD1 3.41Å; V187-F204 HydrophobicContact CG2-CB 4.35Å
205G80.9Confident81.1Confident17 Ų1757 Ų5718%0.17535%0.345CS..  trans-164.6160.2178.700000111.1F207G205-F207 PolarHBondContact O-N 2.88Å
206L85.3Confident81.8Confident30 Ų3052.2 Ų52.216%0.15732%0.315CS..THydrogen-bonded Turntrans-65.7-32.4-176-64.3173.2000111.9I135 M138 L178 M412 L413I135-L206 HydrophobicContact CD1-CD1 4.06Å; M138-L206 HydrophobicContact SD-CD2 4.2Å; L178-L206 PolarHBondContact O-N 2.9Å; L206-M412 HydrophobicContact CD2-CE 3.93Å; L206-M412 HydrophobicContact CD2-SD 4.33Å; L206-L413 HydrophobicContact CD1-CD2 3.3Å; L206-L413 HydrophobicContact CD1-CG 4.19Å
207F87.8Confident82.8Confident6 Ų651.2 Ų51.23%0.02629%0.291CS..THydrogen-bonded Turntrans-126.425.8178.8-57.2-81.1000112.8M64 M179 W180 G205 E209 F210 L389 L413 F415M64-F207 HydrophobicContact CE-CD1 4.26Å; M64-F207 HydrophobicContact CE-CD2 4.42Å; M64-F207 HydrophobicContact CE-CE1 3.79Å; M64-F207 HydrophobicContact CE-CE2 3.93Å; M64-F207 HydrophobicContact CE-CZ 3.6Å; M179-F207 HydrophobicContact CE-CD2 3.52Å; M179-F207 HydrophobicContact CE-CE2 3.97Å; M179-F207 HydrophobicContact CE-CG 4.22Å; M179-F207 CarbonylContact O-C 3.53Å; M179-F207 VanDerWaalsContact O-CA 3.23Å; M179-F207 WeakPolarHBondContact O-CA 3.35Å; M179-F207 WeakPolarHBondContact O-CB 3.3Å; M179-F207 PolarHBondContact O-N 2.9Å; M179-F207 HydrophobicContact SD-CD2 3.56Å; M179-F207 VanDerWaalsContact SD-CD2 3.56Å; M179-F207 HydrophobicContact SD-CE2 3.82Å; W180-F207 HydrophobicContact CE3-CB 4.36Å; W180-F207 HydrophobicContact CZ3-CB 4.05Å; G205-F207 PolarHBondContact O-N 2.88Å; F207-E209 PolarHBondContact O-N 2.79Å; F207-E209 VanDerWaalsContact O-N 3.08Å; F207-F210 VanDerWaalsContact CA-CD1 3.41Å; F207-F210 HydrophobicContact CB-CB 4.02Å; F207-F210 HydrophobicContact CB-CD1 3.67Å; F207-F210 HydrophobicContact CB-CE1 4.34Å; F207-F210 HydrophobicContact CB-CG 3.93Å; F207-F210 AromaticContact CD1-CD1 3.63Å; F207-F210 HydrophobicContact CD1-CD1 3.63Å; F207-F210 AromaticContact CD1-CD2 3.98Å; F207-F210 HydrophobicContact CD1-CD2 3.98Å; F207-F210 AromaticContact CD1-CE1 3.55Å; F207-F210 HydrophobicContact CD1-CE1 3.55Å; F207-F210 AromaticContact CD1-CE2 3.98Å; F207-F210 HydrophobicContact CD1-CE2 3.98Å; F207-F210 AromaticContact CD1-CG 3.84Å; F207-F210 HydrophobicContact CD1-CG 3.84Å; F207-F210 AromaticContact CD1-CZ 3.76Å; F207-F210 HydrophobicContact CD1-CZ 3.76Å; F207-F210 HydrophobicContact CE1-CE1 4.36Å; F207-F210 HydrophobicContact CE1-CE2 4.42Å; F207-F210 HydrophobicContact CE1-CZ 4.21Å; F207-F210 HydrophobicContact CG-CD1 4.13Å; F207-F210 HydrophobicContact CG-CE1 4.37Å; F207-F210 HydrophobicContact CG-CG 4.39Å; F207-F210 WeakPolarHBondContact O-CB 3.45Å; F207-F210 PolarHBondContact O-N 2.91Å; F207-L389 HydrophobicContact CE1-CD1 4.37Å; F207-L389 HydrophobicContact CZ-CD1 3.92Å; F207-L413 HydrophobicContact CE2-CD1 4.04Å; F207-L413 HydrophobicContact CE2-CD2 3.88Å; F207-L413 HydrophobicContact CZ-CD1 4.06Å; F207-F415 HydrophobicContact CE1-CE1 4.31Å; F207-F415 AromaticContact CZ-CD1 3.87Å; F207-F415 HydrophobicContact CZ-CD1 3.87Å; F207-F415 HydrophobicContact CZ-CE1 4.01Å
208A85.3Confident83.8Confident32 Ų3246.3 Ų46.326%0.26427%0.267SS..THydrogen-bonded Turntrans-54.9-34.1-173.200000113.9M179 W180M179-A208 PolarHBondContact O-N 2.75Å; W180-A208 WeakPolarHBondContact O-CA 3.37Å
209E84.1Confident84.9Confident125 Ų12545.4 Ų45.458%0.58426%0.263SS*.THydrogen-bonded Turntrans-97.79.4179.8-58.6-171.7158.200113.6F207 S213F207-E209 PolarHBondContact O-N 2.79Å; F207-E209 VanDerWaalsContact O-N 3.08Å; E209-S213 WeakPolarHBondContact O-CB 3.31Å; E209-S213 PolarHBondContact O-OG 3.44Å
210F86.9Confident86.4Confident22 Ų2242.3 Ų42.310%0.09624%0.243CC..THydrogen-bonded Turntrans-85.5-36.2-178.4-80.171.2000113R116 Y118 W180 F207 S213 D277R116-F210 WeakPolarHBondContact CG-O 3.1Å; R116-F210 VanDerWaalsContact CZ-CE2 3.44Å; R116-F210 PolarHBondContact NE-O 2.96Å; R116-F210 VanDerWaalsContact NH1-CD2 3.35Å; Y118-F210 HydrophobicContact CE2-CB 4.19Å; W180-F210 HydrophobicContact CZ3-CB 4.46Å; F207-F210 VanDerWaalsContact CA-CD1 3.41Å; F207-F210 HydrophobicContact CB-CB 4.02Å; F207-F210 HydrophobicContact CB-CD1 3.67Å; F207-F210 HydrophobicContact CB-CE1 4.34Å; F207-F210 HydrophobicContact CB-CG 3.93Å; F207-F210 AromaticContact CD1-CD1 3.63Å; F207-F210 HydrophobicContact CD1-CD1 3.63Å; F207-F210 AromaticContact CD1-CD2 3.98Å; F207-F210 HydrophobicContact CD1-CD2 3.98Å; F207-F210 AromaticContact CD1-CE1 3.55Å; F207-F210 HydrophobicContact CD1-CE1 3.55Å; F207-F210 AromaticContact CD1-CE2 3.98Å; F207-F210 HydrophobicContact CD1-CE2 3.98Å; F207-F210 AromaticContact CD1-CG 3.84Å; F207-F210 HydrophobicContact CD1-CG 3.84Å; F207-F210 AromaticContact CD1-CZ 3.76Å; F207-F210 HydrophobicContact CD1-CZ 3.76Å; F207-F210 HydrophobicContact CE1-CE1 4.36Å; F207-F210 HydrophobicContact CE1-CE2 4.42Å; F207-F210 HydrophobicContact CE1-CZ 4.21Å; F207-F210 HydrophobicContact CG-CD1 4.13Å; F207-F210 HydrophobicContact CG-CE1 4.37Å; F207-F210 HydrophobicContact CG-CG 4.39Å; F207-F210 WeakPolarHBondContact O-CB 3.45Å; F207-F210 PolarHBondContact O-N 2.91Å; F210-S213 PolarHBondContact O-OG 3.48Å; F210-D277 VanDerWaalsContact CE2-OD1 3.3Å; F210-D277 WeakPolarHBondContact CE2-OD1 3.44Å; F210-D277 WeakPolarHBondContact CZ-OD1 3.4Å
211N88Confident87.9Confident53 Ų5343.3 Ų43.328%0.28325%0.245SC..THydrogen-bonded Turntrans-78.5135.9-174.3-161.411.3000111.1Y118 W180 S213Y118-N211 HydrophobicContact CD2-CB 4.48Å; Y118-N211 PolarHBondContact N-OD1 3.38Å; W180-N211 HydrophobicContact CE3-CB 4.03Å; W180-N211 HydrophobicContact CZ3-CB 4.01Å; N211-S213 PolarHBondContact O-N 3.08Å
212N88.8Confident89.6Confident99 Ų9937.3 Ų37.353%0.52921%0.208SC..THydrogen-bonded Turntrans56.826.6-175.5-62.2-61.4000114.3R116 R117R116-N212 WeakPolarHBondContact O-CA 3.25Å; R116-N212 PolarHBondContact O-N 2.87Å; R117-N212 WeakPolarHBondContact CD-OD1 3.44Å; R117-N212 VanDerWaalsContact CG-OD1 3.23Å; R117-N212 WeakPolarHBondContact CG-OD1 3.27Å; R117-N212 PolarHBondContact NE-OD1 3.35Å; R117-N212 VanDerWaalsContact NE-OD1 3.09Å
213S91.2Very high90.5Very high28 Ų2835.5 Ų35.520%0.19619%0.19CC..EExtended strand (participates in β ladder)trans-114.6-177.8178.677.80000112.1Y115 R116 E209 F210 N211Y115-S213 VanDerWaalsContact CA-O 3.32Å; Y115-S213 WeakPolarHBondContact CA-O 3.35Å; R116-S213 PolarHBondContact N-O 2.86Å; E209-S213 WeakPolarHBondContact O-CB 3.31Å; E209-S213 PolarHBondContact O-OG 3.44Å; F210-S213 PolarHBondContact O-OG 3.48Å; N211-S213 PolarHBondContact O-N 3.08Å
214N92.4Very high91.1Very high45 Ų4536.8 Ų36.824%0.24119%0.192CC..EExtended strand (participates in β ladder)trans-131.3156174.966.293.6000111R113 E114 Y115 G216R113-N214 HydrophobicContact CB-CB 4.38Å; R113-N214 PolarHBondContact NH1-OD1 3.43Å; E114-N214 WeakPolarHBondContact O-CA 3.39Å; E114-N214 WeakPolarHBondContact O-CB 3.33Å; Y115-N214 HydrophobicContact CD1-CB 4.06Å; Y115-N214 HydrophobicContact CD2-CB 4.36Å; Y115-N214 HydrophobicContact CE1-CB 4.11Å; Y115-N214 HydrophobicContact CE2-CB 4.39Å; Y115-N214 HydrophobicContact CG-CB 4.21Å; N214-G216 VanDerWaalsContact C-N 3.26Å; N214-G216 PolarHBondContact O-N 2.76Å; N214-G216 PolarHBondContact OD1-N 3.38Å
215T89.1Confident91.6Very high23 Ų2339.6 Ų39.614%0.14121%0.208CC..EExtended strand (participates in β ladder)trans-88.817.6-177.351.10000113.4W236T215-W236 PolarHBondContact O-NE1 3.23Å
216G93.1Very high92.3Very high6 Ų641.9 Ų41.96%0.06222%0.216CC..EExtended strand (participates in β ladder)trans104.5178.9-177.100000113.9N214 N237N214-G216 VanDerWaalsContact C-N 3.26Å; N214-G216 PolarHBondContact O-N 2.76Å; N214-G216 PolarHBondContact OD1-N 3.38Å; G216-N237 WeakPolarHBondContact CA-OD1 3.42Å
217L97.4Very high92.8Very high55 Ų5541.6 Ų41.629%0.28822%0.215SC..EExtended strand (participates in β ladder)trans-89.1110.8176.3-178.571.9000109.3R113 W236 N237R113-L217 HydrophobicContact CG-CB 4.42Å; R113-L217 HydrophobicContact CG-CD1 4.01Å; L217-W236 CarbonylContact O-C 3.54Å; L217-W236 WeakPolarHBondContact O-CA 3.16Å; L217-N237 PolarHBondContact N-OD1 3.3Å; L217-N237 PolarHBondContact O-N 3.48Å
218F98Very high93.2Very high6 Ų648.1 Ų48.13%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-91135.3171.5-78.6-92000109.8S111 Y112 I220 V233 W236 A257 Y274 P276S111-F218 CarbonylContact C-O 3.53Å; S111-F218 WeakPolarHBondContact CA-O 3.31Å; Y112-F218 HydrophobicContact CE1-CB 4.06Å; Y112-F218 HydrophobicContact CE2-CB 4.37Å; Y112-F218 PolarHBondContact N-O 2.74Å; Y112-F218 PolarHBondContact O-N 2.89Å; F218-I220 HydrophobicContact CB-CG2 4.38Å; F218-V233 HydrophobicContact CD1-CG1 4.27Å; F218-V233 HydrophobicContact CD1-CG2 4.07Å; F218-V233 HydrophobicContact CE1-CG2 4.22Å; F218-W236 AromaticContact CD2-CD1 3.99Å; F218-W236 AromaticContact CE1-CD1 3.83Å; F218-W236 AromaticContact CE2-CD1 3.68Å; F218-W236 AromaticContact CE2-NE1 3.93Å; F218-W236 AromaticContact CZ-CD1 3.61Å; F218-A257 HydrophobicContact CD1-CB 3.93Å; F218-A257 HydrophobicContact CE1-CB 3.82Å; F218-A257 HydrophobicContact CZ-CB 4.35Å; F218-Y274 AromaticContact CE1-CD1 3.99Å; F218-Y274 HydrophobicContact CE1-CD1 3.99Å; F218-Y274 HydrophobicContact CZ-CD1 4.33Å; F218-P276 HydrophobicContact CE2-CG 4.17Å; F218-P276 HydrophobicContact CZ-CG 3.68Å
219T98.2Very high93.7Very high13 Ų1348.7 Ų48.78%0.0824%0.242CC..EExtended strand (participates in β ladder)trans-112.7122161.9-56.10000107.4T109 V110 S111 D234 S235T109-T219 HydrophobicContact CG2-CG2 4.42Å; V110-T219 WeakPolarHBondContact O-CA 3.25Å; S111-T219 PolarHBondContact OG-OG1 3.05Å; T219-D234 HydrophobicContact CG2-CB 4.22Å; T219-D234 PolarHBondContact O-N 2.91Å; T219-S235 WeakPolarHBondContact CB-OG 3.46Å; T219-S235 PolarHBondContact N-O 2.78Å; T219-S235 PolarHBondContact O-N 3.43Å
220I97.8Very high94.3Very high1 Ų142.7 Ų42.71%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-126.2157-177.867.4171.5000110.9I44 W55 T109 V110 Y112 F218 K232 V233I44-I220 HydrophobicContact CD1-CD1 3.62Å; I44-I220 HydrophobicContact CD1-CG1 4.35Å; W55-I220 HydrophobicContact CZ2-CD1 4.05Å; T109-I220 CarbonylContact C-O 3.59Å; T109-I220 WeakPolarHBondContact CA-O 3.46Å; T109-I220 WeakPolarHBondContact CB-O 3.24Å; V110-I220 HydrophobicContact CG1-CD1 4.14Å; V110-I220 HydrophobicContact CG1-CG1 3.58Å; V110-I220 PolarHBondContact N-O 3.28Å; V110-I220 PolarHBondContact O-N 3.47Å; Y112-I220 HydrophobicContact CE1-CD1 3.69Å; Y112-I220 HydrophobicContact CE1-CG1 3.93Å; Y112-I220 HydrophobicContact CE1-CG2 4.19Å; F218-I220 HydrophobicContact CB-CG2 4.38Å; I220-K232 CarbonylContact C-O 3.57Å; I220-K232 WeakPolarHBondContact CA-O 3.29Å; I220-K232 WeakPolarHBondContact CB-O 3.37Å; I220-V233 HydrophobicContact CG2-CG2 4.34Å
221H98.1Very high94.7Very high40 Ų4042.6 Ų42.619%0.18521%0.214CC..EExtended strand (participates in β ladder)trans-71.7138.1171.3-66.6-84.2000111.6N229 H231 K232H221-N229 HydrophobicContact CB-CB 4.21Å; H221-N229 VanDerWaalsContact CB-O 3.27Å; H221-N229 WeakPolarHBondContact CB-O 3.3Å; H221-H231 PolarHBondContact O-N 3.05Å; H221-K232 PolarHBondContact CD2-O 2.76Å; H221-K232 PolarHBondContact N-O 2.85Å
222T96.9Very high95.2Very high4 Ų443.5 Ų43.53%0.02522%0.215CC..  trans-82.7-14.917962.80000113.5I44 F104 S108 V110 R224 V230I44-T222 HydrophobicContact CB-CG2 4.37Å; I44-T222 PolarHBondContact N-O 3.34Å; F104-T222 HydrophobicContact CD1-CG2 4.15Å; F104-T222 HydrophobicContact CE1-CG2 4.12Å; S108-T222 PolarHBondContact O-N 3.16Å; S108-T222 PolarHBondContact O-OG1 3Å; V110-T222 HydrophobicContact CB-CG2 3.86Å; V110-T222 HydrophobicContact CG1-CG2 3.84Å; T222-R224 VanDerWaalsContact C-N 3.28Å; T222-R224 PolarHBondContact OG1-N 3.05Å; T222-V230 WeakPolarHBondContact O-CG2 3.35Å
223G96.1Very high95.6Very high2 Ų239.5 Ų39.52%0.02119%0.194CC..SBendtrans81.11.7-175.600000114.6D225 N226 I227G223-D225 VanDerWaalsContact C-N 3.32Å; G223-D225 PolarHBondContact O-N 2.81Å; G223-N226 CarbonylContact O-C 3.58Å; G223-I227 PolarHBondContact O-N 2.91Å
224R94.3Very high95.9Very high133 Ų13341 Ų4150%0.50220%0.2SC..SBendtrans-63.9-36.4179.7178.8178.7-77.3169.2-2.5112.7I43 D45 T222I43-R224 HydrophobicContact CG2-CB 4.48Å; D45-R224 IonicContact OD1-NH2 3.94Å; D45-R224 IonicContact OD2-CZ 3.05Å; D45-R224 IonicContact OD2-NE 3.62Å; D45-R224 IonicContact OD2-NH2 2.94Å; D45-R224 PolarHBondContact OD2-NH2 2.9Å; T222-R224 VanDerWaalsContact C-N 3.28Å; T222-R224 PolarHBondContact OG1-N 3.05Å
225D94.3Very high96.2Very high91 Ų9139.5 Ų39.549%0.48719%0.193SC..SBendtrans-79.9-50.2176.362.1-42.6000111.4G223G223-D225 VanDerWaalsContact C-N 3.32Å; G223-D225 PolarHBondContact O-N 2.81Å
226N95.6Very high96.6Very high65 Ų6539.5 Ų39.535%0.34819%0.19SC..  trans-147.8116.4179-178.7-3000110G223 K228 N229G223-N226 CarbonylContact O-C 3.58Å; N226-K228 PolarHBondContact O-N 3.27Å; N226-K228 VanDerWaalsContact O-N 3.12Å; N226-K228 WeakPolarHBondContact OD1-CB 3.42Å; N226-K228 PolarHBondContact OD1-N 2.85Å; N226-N229 PolarHBondContact O-N 2.81Å
227I95.6Very high96.8Very high25 Ų2542.6 Ų42.613%0.12821%0.206CC..G310 helixtrans-59.9-27.8-178.6-17063.2000113.1V39 T42 I43 G223 N229 V230 P263 F264V39-I227 HydrophobicContact CG1-CB 4.34Å; V39-I227 HydrophobicContact CG1-CG1 4.4Å; V39-I227 HydrophobicContact CG2-CB 4.4Å; V39-I227 HydrophobicContact CG2-CG1 4.23Å; V39-I227 HydrophobicContact CG2-CG2 4.18Å; T42-I227 VanDerWaalsContact OG1-CD1 3.28Å; T42-I227 WeakPolarHBondContact OG1-CD1 3.41Å; I43-I227 HydrophobicContact CG1-CD1 3.88Å; G223-I227 PolarHBondContact O-N 2.91Å; I227-N229 PolarHBondContact O-N 2.82Å; I227-V230 HydrophobicContact CD1-CB 4.1Å; I227-V230 HydrophobicContact CD1-CG1 3.92Å; I227-V230 WeakPolarHBondContact O-CG1 3.45Å; I227-V230 PolarHBondContact O-N 2.89Å; I227-V230 VanDerWaalsContact O-N 3.13Å; I227-P263 HydrophobicContact CD1-CG 4Å; I227-P263 HydrophobicContact CG1-CG 3.37Å; I227-F264 HydrophobicContact CG2-CE2 4.38Å
228K95.1Very high96.7Very high143 Ų14342.9 Ų42.962%0.62222%0.221SC*.G310 helixtrans-64.8-13.2176.5-61.7-174.6178.3-175.80113.4N226 K232 P262N226-K228 PolarHBondContact O-N 3.27Å; N226-K228 VanDerWaalsContact O-N 3.12Å; N226-K228 WeakPolarHBondContact OD1-CB 3.42Å; N226-K228 PolarHBondContact OD1-N 2.85Å; K228-K232 WeakPolarHBondContact O-CE 3.43Å; K228-K232 PolarHBondContact O-NZ 3.28Å; K228-P262 WeakPolarHBondContact O-CG 3.46Å
229N96.3Very high96.6Very high43 Ų4346.2 Ų46.223%0.2324%0.239CC..G310 helixtrans-102.7-8.6178.4-68.6-23000113.6H221 N226 I227 H231 K232H221-N229 HydrophobicContact CB-CB 4.21Å; H221-N229 VanDerWaalsContact CB-O 3.27Å; H221-N229 WeakPolarHBondContact CB-O 3.3Å; N226-N229 PolarHBondContact O-N 2.81Å; I227-N229 PolarHBondContact O-N 2.82Å; N229-H231 PolarHBondContact O-N 2.9Å; N229-K232 HydrophobicContact CB-CD 4.43Å; N229-K232 VanDerWaalsContact O-CB 3.25Å; N229-K232 WeakPolarHBondContact O-CB 3.29Å; N229-K232 WeakPolarHBondContact O-CG 3.42Å; N229-K232 PolarHBondContact O-N 2.87Å; N229-K232 PolarHBondContact OD1-NZ 2.87Å
230V96.8Very high96.5Very high0 Ų050.2 Ų50.20%026%0.264CS..THydrogen-bonded Turntrans-51.7139.6-178.472.50000111.5I44 T222 I227 K232 P262I44-V230 HydrophobicContact CD1-CG2 4.48Å; I44-V230 HydrophobicContact CG1-CG2 4.21Å; T222-V230 WeakPolarHBondContact O-CG2 3.35Å; I227-V230 HydrophobicContact CD1-CB 4.1Å; I227-V230 HydrophobicContact CD1-CG1 3.92Å; I227-V230 WeakPolarHBondContact O-CG1 3.45Å; I227-V230 PolarHBondContact O-N 2.89Å; I227-V230 VanDerWaalsContact O-N 3.13Å; V230-K232 PolarHBondContact O-N 2.84Å; V230-P262 HydrophobicContact CG1-CB 4.23Å; V230-P262 WeakPolarHBondContact O-CG 3.47Å
231H96.4Very high96.4Very high19 Ų1955.6 Ų55.69%0.08829%0.289CS..THydrogen-bonded Turntrans66.6-8.7-176.4-54.3-56.9000117W55 H221 N229 V233 T256 L260W55-H231 AromaticContact CD1-CE1 3.52Å; W55-H231 AromaticContact NE1-CE1 3.77Å; W55-H231 AromaticContact NE1-ND1 3.86Å; H221-H231 PolarHBondContact O-N 3.05Å; N229-H231 PolarHBondContact O-N 2.9Å; H231-V233 PolarHBondContact O-N 2.89Å; H231-T256 HydrophobicContact CB-CG2 3.95Å; H231-T256 WeakPolarHBondContact O-CA 3.39Å; H231-T256 VanDerWaalsContact O-CB 3.29Å; H231-T256 WeakPolarHBondContact O-CB 3.23Å; H231-L260 HydrophobicContact CB-CB 4.5Å; H231-L260 WeakPolarHBondContact CD2-CB 3.43Å
232K97.6Very high96.3Very high73 Ų7353.9 Ų53.932%0.31728%0.281SS..BIsolated β-bridgetrans-63.8139.2173.8-65.6-175.5-172.4164.40110.3I220 H221 K228 N229 V230 D234 G255I220-K232 CarbonylContact C-O 3.57Å; I220-K232 WeakPolarHBondContact CA-O 3.29Å; I220-K232 WeakPolarHBondContact CB-O 3.37Å; H221-K232 PolarHBondContact CD2-O 2.76Å; H221-K232 PolarHBondContact N-O 2.85Å; K228-K232 WeakPolarHBondContact O-CE 3.43Å; K228-K232 PolarHBondContact O-NZ 3.28Å; N229-K232 HydrophobicContact CB-CD 4.43Å; N229-K232 VanDerWaalsContact O-CB 3.25Å; N229-K232 WeakPolarHBondContact O-CB 3.29Å; N229-K232 WeakPolarHBondContact O-CG 3.42Å; N229-K232 PolarHBondContact O-N 2.87Å; N229-K232 PolarHBondContact OD1-NZ 2.87Å; V230-K232 PolarHBondContact O-N 2.84Å; K232-D234 PolarHBondContact O-N 2.84Å; K232-G255 CarbonylContact C-O 3.33Å; K232-G255 VanDerWaalsContact CA-O 3.25Å; K232-G255 WeakPolarHBondContact CA-O 3.35Å
233V98.2Very high96.2Very high14 Ų1458.6 Ų58.69%0.08531%0.314CS..EExtended strand (participates in β ladder)trans-74.2123.7177.9-1760000108.7F218 I220 H231 I253 G255 A257F218-V233 HydrophobicContact CD1-CG1 4.27Å; F218-V233 HydrophobicContact CD1-CG2 4.07Å; F218-V233 HydrophobicContact CE1-CG2 4.22Å; I220-V233 HydrophobicContact CG2-CG2 4.34Å; H231-V233 PolarHBondContact O-N 2.89Å; V233-I253 HydrophobicContact CB-CG2 4.04Å; V233-I253 HydrophobicContact CG1-CG2 3.66Å; V233-G255 PolarHBondContact N-O 3.37Å; V233-A257 HydrophobicContact CG2-CB 4.46Å
234D97.6Very high96Very high61 Ų6161.8 Ų61.833%0.32633%0.326SS..EExtended strand (participates in β ladder)trans-85.8-45.7168.7169.786.7000109.5T109 T219 K232T109-D234 HydrophobicContact CG2-CB 4.38Å; T219-D234 HydrophobicContact CG2-CB 4.22Å; T219-D234 PolarHBondContact O-N 2.91Å; K232-D234 PolarHBondContact O-N 2.84Å
235S97.8Very high96Very high12 Ų1256.4 Ų56.48%0.08431%0.306CS..EExtended strand (participates in β ladder)trans-154.8155.6175.551.70000112.6T219 L239T219-S235 WeakPolarHBondContact CB-OG 3.46Å; T219-S235 PolarHBondContact N-O 2.78Å; T219-S235 PolarHBondContact O-N 3.43Å; S235-L239 CarbonylContact C-O 3.51Å; S235-L239 VanDerWaalsContact CA-O 3.23Å; S235-L239 WeakPolarHBondContact CA-O 3.21Å; S235-L239 WeakPolarHBondContact CB-O 3.41Å
236W97.6Very high96Very high24 Ų2460.1 Ų60.19%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-125.1123.3172174.780.3000109.7T215 L217 F218 G238 L239 L242 I253 Y274 P276T215-W236 PolarHBondContact O-NE1 3.23Å; L217-W236 CarbonylContact O-C 3.54Å; L217-W236 WeakPolarHBondContact O-CA 3.16Å; F218-W236 AromaticContact CD2-CD1 3.99Å; F218-W236 AromaticContact CE1-CD1 3.83Å; F218-W236 AromaticContact CE2-CD1 3.68Å; F218-W236 AromaticContact CE2-NE1 3.93Å; F218-W236 AromaticContact CZ-CD1 3.61Å; W236-G238 PolarHBondContact O-N 2.79Å; W236-G238 VanDerWaalsContact O-N 3.15Å; W236-L239 PolarHBondContact N-O 3.2Å; W236-L239 WeakPolarHBondContact O-CA 3.26Å; W236-L239 VanDerWaalsContact O-CB 3.3Å; W236-L239 WeakPolarHBondContact O-CB 3.22Å; W236-L239 PolarHBondContact O-N 3.26Å; W236-L242 HydrophobicContact CE3-CD2 4.34Å; W236-L242 HydrophobicContact CZ3-CD2 4.4Å; W236-I253 HydrophobicContact CB-CD1 4.09Å; W236-Y274 HydrophobicContact CB-CD1 4.32Å; W236-Y274 HydrophobicContact CB-CE1 3.86Å; W236-Y274 AromaticContact CD1-CE1 3.88Å; W236-Y274 AromaticContact CD2-CE1 3.65Å; W236-Y274 HydrophobicContact CD2-CE1 3.65Å; W236-Y274 HydrophobicContact CE3-CE1 4.11Å; W236-Y274 HydrophobicContact CG-CD1 4.31Å; W236-Y274 AromaticContact CG-CE1 3.53Å; W236-Y274 HydrophobicContact CG-CE1 3.53Å; W236-Y274 WeakPolarHBondContact CZ3-OH 3.44Å; W236-P276 HydrophobicContact CZ2-CB 3.88Å; W236-P276 HydrophobicContact CZ2-CG 4.22Å
237N96.6Very high96Very high71 Ų7159.1 Ų59.138%0.3831%0.309SS..THydrogen-bonded Turntrans51.631.6-171.6-68.2-33.4000113.5G216 L217 L239G216-N237 WeakPolarHBondContact CA-OD1 3.42Å; L217-N237 PolarHBondContact N-OD1 3.3Å; L217-N237 PolarHBondContact O-N 3.48Å; N237-L239 PolarHBondContact O-N 3.03Å
238G95.8Very high95.9Very high60 Ų6062.7 Ų62.762%0.61933%0.334SS*.THydrogen-bonded Turntrans78.40.3-17600000114.6W236W236-G238 PolarHBondContact O-N 2.79Å; W236-G238 VanDerWaalsContact O-N 3.15Å
239L96.2Very high95.9Very high76 Ų7661.6 Ų61.640%0.39833%0.331SS..BIsolated β-bridgetrans-92134.8175.2-57.4174.2000110.5S235 W236 N237 I253S235-L239 CarbonylContact C-O 3.51Å; S235-L239 VanDerWaalsContact CA-O 3.23Å; S235-L239 WeakPolarHBondContact CA-O 3.21Å; S235-L239 WeakPolarHBondContact CB-O 3.41Å; W236-L239 PolarHBondContact N-O 3.2Å; W236-L239 WeakPolarHBondContact O-CA 3.26Å; W236-L239 VanDerWaalsContact O-CB 3.3Å; W236-L239 WeakPolarHBondContact O-CB 3.22Å; W236-L239 PolarHBondContact O-N 3.26Å; N237-L239 PolarHBondContact O-N 3.03Å; L239-I253 WeakPolarHBondContact O-CD1 3.46Å
240T95.8Very high95.8Very high98 Ų9859.7 Ų59.760%0.60132%0.321SS*.SBendtrans-94.9-18.5171.254.20000112
241E96.1Very high95.8Very high113 Ų11360.5 Ų60.553%0.52833%0.325SS..BIsolated β-bridgetrans-140.8151.8174.862.9-179.9-168.600109.9N251E241-N251 CarbonylContact C-O 3.53Å; E241-N251 WeakPolarHBondContact CA-O 3.33Å
242L95.8Very high95.9Very high5 Ų563.7 Ų63.73%0.02634%0.342CS..  trans-80.9168.3176.1-53.2173000110.5W236 Y244 N251 I253 Y274W236-L242 HydrophobicContact CE3-CD2 4.34Å; W236-L242 HydrophobicContact CZ3-CD2 4.4Å; L242-Y244 HydrophobicContact CB-CD2 4.1Å; L242-Y244 HydrophobicContact CD1-CD2 4.14Å; L242-Y244 HydrophobicContact CD2-CD2 4.35Å; L242-Y244 HydrophobicContact CD2-CE2 4.02Å; L242-Y244 HydrophobicContact CG-CD2 4.42Å; L242-N251 HydrophobicContact CB-CB 4.19Å; L242-N251 PolarHBondContact N-O 2.95Å; L242-N251 WeakPolarHBondContact O-CB 3.34Å; L242-N251 PolarHBondContact O-OD1 3.23Å; L242-I253 HydrophobicContact CD2-CD1 3.88Å; L242-I253 HydrophobicContact CD2-CG1 3.96Å; L242-I253 HydrophobicContact CG-CD1 4.35Å; L242-I253 HydrophobicContact CG-CG1 3.93Å; L242-Y274 HydrophobicContact CD1-CE2 3.78Å; L242-Y274 HydrophobicContact CD2-CE2 3.97Å; L242-Y274 WeakPolarHBondContact CD2-OH 3.38Å; L242-Y274 HydrophobicContact CG-CE2 4.38Å
243S94.3Very high95.9Very high102 Ų10261 Ų6171%0.71333%0.33SS*.SBendtrans-122.814.9173.956.10000112.5
244Y92.8Very high95.8Very high70 Ų7063.5 Ų63.528%0.27534%0.343SS..SBendtrans-85.4-25.2-173.3-53.3-36.6000113.2L242 N251 C279 S332 C333L242-Y244 HydrophobicContact CB-CD2 4.1Å; L242-Y244 HydrophobicContact CD1-CD2 4.14Å; L242-Y244 HydrophobicContact CD2-CD2 4.35Å; L242-Y244 HydrophobicContact CD2-CE2 4.02Å; L242-Y244 HydrophobicContact CG-CD2 4.42Å; Y244-N251 PolarHBondContact N-OD1 3.09Å; Y244-C279 HydrophobicContact CD2-CB 4.4Å; Y244-S332 WeakPolarHBondContact O-CB 3.43Å; Y244-S332 PolarHBondContact O-OG 3.4Å; Y244-C333 HydrophobicContact CD1-CB 4.3Å; Y244-C333 HydrophobicContact CD2-CB 3.94Å; Y244-C333 HydrophobicContact CE1-CB 4.42Å; Y244-C333 HydrophobicContact CE2-CB 4.06Å; Y244-C333 HydrophobicContact CG-CB 4.07Å
245W94.9Very high95.7Very high19 Ų1961.3 Ų61.37%0.07234%0.335CS..SBendtrans-113.1161.6-167.4-51.6111.9000112.3C250 N251 C279 R280 F319 L328 N329W245-C250 HydrophobicContact CB-CB 3.57Å; W245-C250 HydrophobicContact CG-CB 4.05Å; W245-N251 WeakPolarHBondContact CB-OD1 3.19Å; W245-N251 PolarHBondContact N-OD1 2.86Å; W245-N251 PolarHBondContact O-ND2 3.14Å; W245-C279 HydrophobicContact CZ2-CB 4.08Å; W245-C279 WeakPolarHBondContact CZ2-O 3.36Å; W245-C279 PolarHBondContact NE1-O 3.18Å; W245-R280 HydrophobicContact CZ2-CB 4.12Å; W245-F319 AromaticContact CD1-CE1 3.86Å; W245-F319 AromaticContact CD2-CD1 3.41Å; W245-F319 HydrophobicContact CD2-CD1 3.41Å; W245-F319 VanDerWaalsContact CD2-CD1 3.41Å; W245-F319 AromaticContact CD2-CE1 3.84Å; W245-F319 HydrophobicContact CD2-CE1 3.84Å; W245-F319 AromaticContact CE2-CD1 3.61Å; W245-F319 AromaticContact CE2-CE1 3.79Å; W245-F319 HydrophobicContact CE3-CB 4.26Å; W245-F319 AromaticContact CE3-CD1 3.62Å; W245-F319 HydrophobicContact CE3-CD1 3.62Å; W245-F319 HydrophobicContact CE3-CE1 4.49Å; W245-F319 HydrophobicContact CE3-CG 4.4Å; W245-F319 AromaticContact CG-CD1 3.83Å; W245-F319 HydrophobicContact CG-CD1 3.83Å; W245-F319 AromaticContact CG-CE1 3.86Å; W245-F319 HydrophobicContact CG-CE1 3.86Å; W245-F319 HydrophobicContact CH2-CD1 4.13Å; W245-F319 AromaticContact CZ2-CD1 3.98Å; W245-F319 HydrophobicContact CZ2-CD1 3.98Å; W245-F319 HydrophobicContact CZ2-CE1 4.37Å; W245-F319 HydrophobicContact CZ3-CB 4.28Å; W245-F319 AromaticContact CZ3-CD1 3.97Å; W245-F319 HydrophobicContact CZ3-CD1 3.97Å; W245-F319 AromaticContact NE1-CE1 3.82Å; W245-L328 HydrophobicContact CH2-CD1 3.98Å; W245-L328 HydrophobicContact CH2-CG 4.44Å; W245-L328 HydrophobicContact CZ3-CD1 4.43Å; W245-N329 VanDerWaalsContact CH2-O 3.26Å; W245-N329 WeakPolarHBondContact CH2-O 3.31Å; W245-N329 WeakPolarHBondContact CZ3-O 3.35Å
246R94.1Very high95.7Very high169 Ų16960.8 Ų60.864%0.63833%0.332SS*.SBendtrans-78.1-24.2-170.1-62.1179.7178.9-177-1.2114G318 C320R246-G318 PolarHBondContact N-O 3.28Å; R246-C320 WeakPolarHBondContact CD-O 3.43Å; R246-C320 PolarHBondContact NE-O 2.85Å
247T93.9Very high95.5Very high45 Ų4560.9 Ų60.928%0.27634%0.337SS..SBendtrans-118148.9-177.267.70000110.9Q249 C250 N251T247-Q249 PolarHBondContact O-N 3.42Å; T247-C250 PolarHBondContact O-N 2.63Å; T247-C250 WeakPolarHBondContact OG1-CB 3.48Å; T247-C250 PolarHBondContact OG1-N 2.72Å; T247-C250 PolarHBondContact OG1-SG 3.47Å; T247-N251 PolarHBondContact O-N 3.07Å; T247-N251 PolarHBondContact O-ND2 2.94Å
248P94.8Very high95.1Very high100 Ų10058.4 Ų58.465%0.64933%0.328SS*.Hα-helixtrans-55.6-40175.2-26.835.3000112.7C250 N251 M252P248-C250 PolarHBondContact O-N 2.99Å; P248-N251 PolarHBondContact O-N 2.72Å; P248-N251 VanDerWaalsContact O-N 3.13Å; P248-M252 WeakPolarHBondContact O-CG 3.35Å; P248-M252 PolarHBondContact O-N 3.24Å
249Q94.6Very high94.8Very high119 Ų11957.2 Ų57.256%0.55631%0.307SS*.Hα-helixtrans-58.4-44.5178.1-179.2179.8-1.800112.5T247 N251 M252T247-Q249 PolarHBondContact O-N 3.42Å; Q249-N251 PolarHBondContact O-N 2.82Å; Q249-M252 WeakPolarHBondContact O-CG 3.5Å; Q249-M252 PolarHBondContact O-N 2.69Å
250C95.3Very high94.5Very high3 Ų354.9 Ų54.92%0.0229%0.294CS..Hα-helixtrans-71-23.2-179.8-67.10000112.7W245 T247 P248 G318 F319W245-C250 HydrophobicContact CB-CB 3.57Å; W245-C250 HydrophobicContact CG-CB 4.05Å; T247-C250 PolarHBondContact O-N 2.63Å; T247-C250 WeakPolarHBondContact OG1-CB 3.48Å; T247-C250 PolarHBondContact OG1-N 2.72Å; T247-C250 PolarHBondContact OG1-SG 3.47Å; P248-C250 PolarHBondContact O-N 2.99Å; C250-G318 WeakPolarHBondContact SG-CA 3.42Å; C250-F319 HydrophobicContact CB-CD1 3.98Å; C250-F319 HydrophobicContact CB-CD2 4.26Å; C250-F319 HydrophobicContact CB-CE1 3.51Å; C250-F319 HydrophobicContact CB-CE2 3.81Å; C250-F319 HydrophobicContact CB-CG 4.32Å; C250-F319 HydrophobicContact CB-CZ 3.41Å; C250-F319 VanDerWaalsContact CB-CZ 3.41Å; C250-F319 WeakPolarHBondContact O-CE1 3.48Å; C250-F319 VanDerWaalsContact SG-CD2 3.51Å; C250-F319 WeakPolarHBondContact SG-CE2 3.4Å; C250-F319 VanDerWaalsContact SG-CZ 3.53Å
251N96.9Very high94.5Very high17 Ų1750.6 Ų50.69%0.09127%0.267CS..Hα-helixtrans-83.4-7.3176-78.4-41.4000113.8E241 L242 Y244 W245 T247 P248 Q249 I253E241-N251 CarbonylContact C-O 3.53Å; E241-N251 WeakPolarHBondContact CA-O 3.33Å; L242-N251 HydrophobicContact CB-CB 4.19Å; L242-N251 PolarHBondContact N-O 2.95Å; L242-N251 WeakPolarHBondContact O-CB 3.34Å; L242-N251 PolarHBondContact O-OD1 3.23Å; Y244-N251 PolarHBondContact N-OD1 3.09Å; W245-N251 WeakPolarHBondContact CB-OD1 3.19Å; W245-N251 PolarHBondContact N-OD1 2.86Å; W245-N251 PolarHBondContact O-ND2 3.14Å; T247-N251 PolarHBondContact O-N 3.07Å; T247-N251 PolarHBondContact O-ND2 2.94Å; P248-N251 PolarHBondContact O-N 2.72Å; P248-N251 VanDerWaalsContact O-N 3.13Å; Q249-N251 PolarHBondContact O-N 2.82Å; N251-I253 PolarHBondContact O-N 3.03Å
252M97.3Very high94.5Very high87 Ų8746.3 Ų46.343%0.42925%0.249SC..BIsolated β-bridgetrans-65.2134.6-179.6-63.9-178.874.100112.2P248 Q249 S281P248-M252 WeakPolarHBondContact O-CG 3.35Å; P248-M252 PolarHBondContact O-N 3.24Å; Q249-M252 WeakPolarHBondContact O-CG 3.5Å; Q249-M252 PolarHBondContact O-N 2.69Å; M252-S281 PolarHBondContact O-OG 3.44Å
253I97.4Very high94.5Very high16 Ų1646.5 Ų46.58%0.08225%0.251CS..  trans-90.6101169.1-60.4176.7000107.2V233 W236 L239 L242 N251 Y274 S281V233-I253 HydrophobicContact CB-CG2 4.04Å; V233-I253 HydrophobicContact CG1-CG2 3.66Å; W236-I253 HydrophobicContact CB-CD1 4.09Å; L239-I253 WeakPolarHBondContact O-CD1 3.46Å; L242-I253 HydrophobicContact CD2-CD1 3.88Å; L242-I253 HydrophobicContact CD2-CG1 3.96Å; L242-I253 HydrophobicContact CG-CD1 4.35Å; L242-I253 HydrophobicContact CG-CG1 3.93Å; N251-I253 PolarHBondContact O-N 3.03Å; I253-Y274 HydrophobicContact CG2-CD1 3.92Å; I253-Y274 HydrophobicContact CG2-CD2 4.35Å; I253-Y274 HydrophobicContact CG2-CG 3.76Å; I253-S281 WeakPolarHBondContact CA-OG 3.32Å
254N96.4Very high94.5Very high66 Ų6645.1 Ų45.135%0.35323%0.232SC..  trans-112.9147.4-171.5-73.7-28.3000111.7P272 F273 Y274 S281N254-P272 HydrophobicContact CB-CB 4.28Å; N254-F273 CarbonylContact O-C 3.48Å; N254-Y274 PolarHBondContact O-N 3.46Å; N254-S281 PolarHBondContact N-OG 3.37Å
255G96.3Very high94.6Very high15 Ų1542.5 Ų42.516%0.15522%0.223CC..SBendtrans77-144.9171.400000113.4K232 V233 P272K232-G255 CarbonylContact C-O 3.33Å; K232-G255 VanDerWaalsContact CA-O 3.25Å; K232-G255 WeakPolarHBondContact CA-O 3.35Å; V233-G255 PolarHBondContact N-O 3.37Å; G255-P272 VanDerWaalsContact CA-O 3.29Å; G255-P272 WeakPolarHBondContact CA-O 3.47Å
256T96.6Very high94.7Very high2 Ų244.7 Ų44.71%0.01224%0.238CC..BIsolated β-bridgetrans-102.9179.4-174.674.10000112.4H231 G258 L260 W261 P272 F273 Y274H231-T256 HydrophobicContact CB-CG2 3.95Å; H231-T256 WeakPolarHBondContact O-CA 3.39Å; H231-T256 VanDerWaalsContact O-CB 3.29Å; H231-T256 WeakPolarHBondContact O-CB 3.23Å; T256-G258 PolarHBondContact O-N 3.3Å; T256-G258 PolarHBondContact OG1-N 3.39Å; T256-L260 VanDerWaalsContact CB-O 3.26Å; T256-L260 WeakPolarHBondContact CB-O 3.45Å; T256-L260 VanDerWaalsContact CG2-O 3.31Å; T256-L260 WeakPolarHBondContact CG2-O 3.27Å; T256-L260 PolarHBondContact OG1-O 3.19Å; T256-W261 HydrophobicContact CG2-CG 4.22Å; T256-W261 PolarHBondContact OG1-NE1 3.24Å; T256-P272 PolarHBondContact N-O 3.22Å; T256-F273 CarbonylContact O-C 3.48Å; T256-F273 VanDerWaalsContact O-CA 3.23Å; T256-F273 WeakPolarHBondContact O-CA 3.35Å; T256-F273 WeakPolarHBondContact O-CB 3.19Å; T256-Y274 PolarHBondContact O-N 3.33Å
257A93.1Very high94.7Very high25 Ų2541.7 Ų41.721%0.20723%0.23CC..  trans-76.110171.300000113.6F218 V233F218-A257 HydrophobicContact CD1-CB 3.93Å; F218-A257 HydrophobicContact CE1-CB 3.82Å; F218-A257 HydrophobicContact CZ-CB 4.35Å; V233-A257 HydrophobicContact CG2-CB 4.46Å
258G89.8Confident94.8Very high19 Ų1947 Ų4720%0.19625%0.251CS..SBendtrans84.110.5173.800000116.1T256 W261T256-G258 PolarHBondContact O-N 3.3Å; T256-G258 PolarHBondContact OG1-N 3.39Å; G258-W261 VanDerWaalsContact O-CH2 3.32Å; G258-W261 WeakPolarHBondContact O-CH2 3.39Å
259Q87.8Confident94.8Very high36 Ų3644.3 Ų44.317%0.16823%0.233CC..SBendtrans-109.6-39.2-178.5-60.8-171.5-35.300114.1E114 P380E114-Q259 PolarHBondContact OE1-NE2 3.28Å; E114-Q259 PolarHBondContact OE2-NE2 3.13Å; E114-Q259 PolarHBondContact OE2-OE1 3.23Å; Q259-P380 WeakPolarHBondContact O-CD 3.24Å; Q259-P380 VanDerWaalsContact O-CG 3.28Å; Q259-P380 WeakPolarHBondContact O-CG 3.35Å
260L91.1Very high94.9Very high26 Ų2641.2 Ų41.214%0.13622%0.222CC..  trans-143.2153.3-177.3-67.7170.4000107.8H231 T256 V379H231-L260 HydrophobicContact CB-CB 4.5Å; H231-L260 WeakPolarHBondContact CD2-CB 3.43Å; T256-L260 VanDerWaalsContact CB-O 3.26Å; T256-L260 WeakPolarHBondContact CB-O 3.45Å; T256-L260 VanDerWaalsContact CG2-O 3.31Å; T256-L260 WeakPolarHBondContact CG2-O 3.27Å; T256-L260 PolarHBondContact OG1-O 3.19Å; L260-V379 HydrophobicContact CD2-CB 4.43Å; L260-V379 HydrophobicContact CD2-CG1 4.27Å; L260-V379 HydrophobicContact CD2-CG2 4.17Å
261W95.1Very high94.9Very high9 Ų941.1 Ų41.13%0.03422%0.222CC..  trans-129.9162.8179.6-75-96.1000111.4T256 G258 M265 L271 P272 F273 I371 I373 G378 P380T256-W261 HydrophobicContact CG2-CG 4.22Å; T256-W261 PolarHBondContact OG1-NE1 3.24Å; G258-W261 VanDerWaalsContact O-CH2 3.32Å; G258-W261 WeakPolarHBondContact O-CH2 3.39Å; W261-M265 HydrophobicContact CB-CE 3.24Å; W261-M265 HydrophobicContact CG-CE 4.07Å; W261-L271 HydrophobicContact CB-CD2 4.43Å; W261-L271 HydrophobicContact CD2-CD2 4.42Å; W261-L271 HydrophobicContact CG-CD2 3.92Å; W261-P272 PolarHBondContact NE1-O 3.28Å; W261-F273 HydrophobicContact CZ2-CB 4.14Å; W261-F273 HydrophobicContact CZ2-CD1 4.26Å; W261-F273 HydrophobicContact CZ2-CG 4.36Å; W261-I371 HydrophobicContact CH2-CD1 3.48Å; W261-I371 VanDerWaalsContact CH2-CD1 3.48Å; W261-I371 HydrophobicContact CZ2-CD1 4.09Å; W261-I371 HydrophobicContact CZ3-CD1 4.21Å; W261-I371 HydrophobicContact CZ3-CG2 4.49Å; W261-I373 HydrophobicContact CB-CD1 3.98Å; W261-I373 HydrophobicContact CD2-CD1 4.02Å; W261-I373 HydrophobicContact CE3-CD1 3.63Å; W261-I373 HydrophobicContact CG-CD1 4.2Å; W261-I373 HydrophobicContact CZ3-CD1 4.48Å; W261-G378 PolarHBondContact N-O 3.42Å; W261-G378 VanDerWaalsContact N-O 3.08Å; W261-G378 WeakPolarHBondContact O-CA 3.39Å; W261-P380 HydrophobicContact CE3-CG 3.85Å; W261-P380 HydrophobicContact CZ3-CG 3.53Å
262P96.1Very high94.9Very high22 Ų2242.1 Ų42.114%0.14323%0.229CC..  trans-56.9146.9174-23.931.9000113.5K228 V230 M265K228-P262 WeakPolarHBondContact O-CG 3.46Å; V230-P262 HydrophobicContact CG1-CB 4.23Å; V230-P262 WeakPolarHBondContact O-CG 3.47Å; P262-M265 VanDerWaalsContact O-CE 3.24Å; P262-M265 WeakPolarHBondContact O-CE 3.29Å
263P95.3Very high94.9Very high9 Ų938.4 Ų38.46%0.05821%0.211CC..SBendtrans-71.3175.4175.429.8-34.9000112.7V38 I227 L376V38-P263 HydrophobicContact CG1-CB 3.9Å; I227-P263 HydrophobicContact CD1-CG 4Å; I227-P263 HydrophobicContact CG1-CG 3.37Å; P263-L376 WeakPolarHBondContact CA-O 3.39Å; P263-L376 WeakPolarHBondContact CB-O 3.27Å
264F95.3Very high94.8Very high73 Ų7337.8 Ų37.832%0.3221%0.207SC..SBendtrans63.349.5176.3-46.2-73.1000114.7D35 V38 V39 I227 P375 L376D35-F264 HydrophobicContact CB-CE1 3.99Å; D35-F264 HydrophobicContact CB-CZ 4.12Å; D35-F264 WeakPolarHBondContact OD1-CE1 3.45Å; V38-F264 HydrophobicContact CB-CE1 4.47Å; V38-F264 HydrophobicContact CB-CZ 4.11Å; V38-F264 HydrophobicContact CG1-CE1 4.22Å; V38-F264 HydrophobicContact CG1-CE2 4.37Å; V38-F264 HydrophobicContact CG1-CZ 3.83Å; V39-F264 HydrophobicContact CG2-CE2 3.79Å; V39-F264 HydrophobicContact CG2-CZ 3.93Å; I227-F264 HydrophobicContact CG2-CE2 4.38Å; F264-P375 PolarHBondContact N-O 3.42Å; F264-L376 HydrophobicContact CD1-CD1 3.62Å; F264-L376 HydrophobicContact CE1-CD1 3.59Å; F264-L376 PolarHBondContact N-O 3.21Å; F264-L376 VanDerWaalsContact N-O 3.07Å
265M95.1Very high94.7Very high16 Ų1635.7 Ų35.78%0.07920%0.198CC..  trans-74.9143178.9-59.6-175.5170.700112.8W261 P262 T269 L271 F300 I373 P375W261-M265 HydrophobicContact CB-CE 3.24Å; W261-M265 HydrophobicContact CG-CE 4.07Å; P262-M265 VanDerWaalsContact O-CE 3.24Å; P262-M265 WeakPolarHBondContact O-CE 3.29Å; M265-T269 HydrophobicContact CB-CG2 4.48Å; M265-T269 HydrophobicContact CG-CG2 4.4Å; M265-L271 HydrophobicContact CE-CD2 3.6Å; M265-L271 HydrophobicContact SD-CD2 4Å; M265-F300 HydrophobicContact SD-CE2 4.43Å; M265-I373 HydrophobicContact CE-CD1 3.52Å; M265-I373 HydrophobicContact CE-CG1 4.23Å; M265-I373 HydrophobicContact SD-CD1 3.98Å; M265-I373 HydrophobicContact SD-CG1 4.17Å; M265-I373 HydrophobicContact SD-CG2 3.69Å; M265-P375 HydrophobicContact CB-CB 4.24Å; M265-P375 PolarHBondContact N-O 3.11Å
266T95.8Very high94.6Very high64 Ų6436.1 Ų36.139%0.39320%0.198SC..  trans-111.5174.5170.9750000110.8E268 T269T266-E268 WeakPolarHBondContact CB-OE2 3.33Å; T266-E268 PolarHBondContact O-N 3.44Å; T266-E268 PolarHBondContact OG1-N 3.4Å; T266-E268 PolarHBondContact OG1-OE2 3.22Å; T266-T269 PolarHBondContact N-OG1 2.6Å; T266-T269 VanDerWaalsContact O-CB 3.25Å; T266-T269 WeakPolarHBondContact O-CB 3.26Å; T266-T269 PolarHBondContact O-N 2.71Å; T266-T269 PolarHBondContact O-OG1 3.29Å; T266-T269 PolarHBondContact OG1-OG1 2.76Å
267K95.6Very high94.2Very high107 Ų10738 Ų3847%0.46521%0.208SC..THydrogen-bonded Turntrans-71.9-18.4178.9-64-176180-177.80112.9Y286 Y298K267-Y286 HydrophobicContact CB-CD1 4.23Å; K267-Y286 HydrophobicContact CB-CE1 4.2Å; K267-Y286 HydrophobicContact CB-CG 4.41Å; K267-Y286 HydrophobicContact CD-CE1 4.1Å; K267-Y286 WeakPolarHBondContact CE-OH 3.3Å; K267-Y286 HydrophobicContact CG-CD2 4.48Å; K267-Y286 HydrophobicContact CG-CE1 4.15Å; K267-Y286 HydrophobicContact CG-CE2 4.02Å; K267-Y286 WeakPolarHBondContact O-CB 3.48Å; K267-Y298 HydrophobicContact CG-CE2 4.39Å
268E96.3Very high94.1Very high155 Ų15536.9 Ų36.972%0.72420%0.198SC*.THydrogen-bonded Turntrans-87.1-10.6175.7-52.571.6-153.500112.2T266T266-E268 WeakPolarHBondContact CB-OE2 3.33Å; T266-E268 PolarHBondContact O-N 3.44Å; T266-E268 PolarHBondContact OG1-N 3.4Å; T266-E268 PolarHBondContact OG1-OE2 3.22Å
269T94.8Very high94.2Very high44 Ų4436.1 Ų36.127%0.2719%0.19SC..  trans-67143.4176.3-57.80000109.5M265 T266 F300M265-T269 HydrophobicContact CB-CG2 4.48Å; M265-T269 HydrophobicContact CG-CG2 4.4Å; T266-T269 PolarHBondContact N-OG1 2.6Å; T266-T269 VanDerWaalsContact O-CB 3.25Å; T266-T269 WeakPolarHBondContact O-CB 3.26Å; T266-T269 PolarHBondContact O-N 2.71Å; T266-T269 PolarHBondContact O-OG1 3.29Å; T266-T269 PolarHBondContact OG1-OG1 2.76Å; T269-F300 VanDerWaalsContact O-CE1 3.29Å; T269-F300 WeakPolarHBondContact O-CE1 3.25Å
270T96Very high94.6Very high55 Ų5535.4 Ų35.434%0.33719%0.186SC..EExtended strand (participates in β ladder)trans-113161.6167.860.80000109.9P272 E283 V285T270-P272 VanDerWaalsContact C-CD 3.43Å; T270-P272 WeakPolarHBondContact O-CD 3.47Å; T270-E283 WeakPolarHBondContact CB-OE1 3Å; T270-E283 PolarHBondContact OG1-OE1 3.35Å; T270-V285 HydrophobicContact CG2-CG1 4.42Å
271L96Very high94.8Very high1 Ų134.9 Ų34.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-113.381.6179.7-57.7-175.6000110.8W261 M265 E283 L284 F300 I373W261-L271 HydrophobicContact CB-CD2 4.43Å; W261-L271 HydrophobicContact CD2-CD2 4.42Å; W261-L271 HydrophobicContact CG-CD2 3.92Å; M265-L271 HydrophobicContact CE-CD2 3.6Å; M265-L271 HydrophobicContact SD-CD2 4Å; L271-E283 WeakPolarHBondContact O-CA 3.45Å; L271-L284 HydrophobicContact CB-CB 4.18Å; L271-L284 PolarHBondContact N-O 2.9Å; L271-L284 PolarHBondContact O-N 2.73Å; L271-F300 HydrophobicContact CB-CD1 4.47Å; L271-F300 HydrophobicContact CD1-CB 3.72Å; L271-F300 HydrophobicContact CD1-CD1 3.78Å; L271-F300 HydrophobicContact CD1-CD2 3.54Å; L271-F300 HydrophobicContact CD1-CE1 4.27Å; L271-F300 HydrophobicContact CD1-CE2 4.05Å; L271-F300 HydrophobicContact CD1-CG 3.38Å; L271-F300 HydrophobicContact CD1-CZ 4.4Å; L271-F300 HydrophobicContact CD2-CE1 4.33Å; L271-F300 HydrophobicContact CD2-CZ 4.3Å; L271-F300 HydrophobicContact CG-CB 4.39Å; L271-F300 HydrophobicContact CG-CD1 3.6Å; L271-F300 HydrophobicContact CG-CD2 4.14Å; L271-F300 HydrophobicContact CG-CE1 3.79Å; L271-F300 HydrophobicContact CG-CE2 4.29Å; L271-F300 HydrophobicContact CG-CG 3.78Å; L271-F300 HydrophobicContact CG-CZ 4.14Å; L271-I373 HydrophobicContact CD1-CD1 4.31Å
272P96.1Very high94.8Very high37 Ų3734.9 Ų34.924%0.2419%0.185CC..EExtended strand (participates in β ladder)trans-70142.7167.629.4-32.8000110.2N254 G255 T256 W261 T270 L282N254-P272 HydrophobicContact CB-CB 4.28Å; G255-P272 VanDerWaalsContact CA-O 3.29Å; G255-P272 WeakPolarHBondContact CA-O 3.47Å; T256-P272 PolarHBondContact N-O 3.22Å; W261-P272 PolarHBondContact NE1-O 3.28Å; T270-P272 VanDerWaalsContact C-CD 3.43Å; T270-P272 WeakPolarHBondContact O-CD 3.47Å; P272-L282 CarbonylContact C-O 3.55Å; P272-L282 VanDerWaalsContact CA-O 3.27Å; P272-L282 WeakPolarHBondContact CA-O 3.31Å
273F96.4Very high94.8Very high10 Ų1037.8 Ų37.84%0.04420%0.196CC..EExtended strand (participates in β ladder)trans-151.7146.6170.265.9-81.2000110.9N254 T256 W261 S281 L282 L284N254-F273 CarbonylContact O-C 3.48Å; T256-F273 CarbonylContact O-C 3.48Å; T256-F273 VanDerWaalsContact O-CA 3.23Å; T256-F273 WeakPolarHBondContact O-CA 3.35Å; T256-F273 WeakPolarHBondContact O-CB 3.19Å; W261-F273 HydrophobicContact CZ2-CB 4.14Å; W261-F273 HydrophobicContact CZ2-CD1 4.26Å; W261-F273 HydrophobicContact CZ2-CG 4.36Å; F273-S281 CarbonylContact O-C 3.56Å; F273-S281 WeakPolarHBondContact O-CA 2.87Å; F273-L282 HydrophobicContact CD1-CB 4.38Å; F273-L282 HydrophobicContact CE1-CB 3.79Å; F273-L282 HydrophobicContact CE2-CB 4.15Å; F273-L282 HydrophobicContact CE2-CD1 4.01Å; F273-L282 HydrophobicContact CZ-CB 3.67Å; F273-L282 HydrophobicContact CZ-CD1 3.81Å; F273-L282 HydrophobicContact CZ-CG 4.36Å; F273-L282 PolarHBondContact N-O 3.2Å; F273-L282 PolarHBondContact O-N 2.76Å; F273-L284 HydrophobicContact CE1-CD1 4.32Å; F273-L284 HydrophobicContact CE1-CD2 4.24Å; F273-L284 HydrophobicContact CE1-CG 3.97Å
274Y96.6Very high94.8Very high2 Ų237.4 Ų37.41%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-94.3125.6175.2174.8-117.4000110.4F218 W236 L242 I253 N254 T256 P276F218-Y274 AromaticContact CE1-CD1 3.99Å; F218-Y274 HydrophobicContact CE1-CD1 3.99Å; F218-Y274 HydrophobicContact CZ-CD1 4.33Å; W236-Y274 HydrophobicContact CB-CD1 4.32Å; W236-Y274 HydrophobicContact CB-CE1 3.86Å; W236-Y274 AromaticContact CD1-CE1 3.88Å; W236-Y274 AromaticContact CD2-CE1 3.65Å; W236-Y274 HydrophobicContact CD2-CE1 3.65Å; W236-Y274 HydrophobicContact CE3-CE1 4.11Å; W236-Y274 HydrophobicContact CG-CD1 4.31Å; W236-Y274 AromaticContact CG-CE1 3.53Å; W236-Y274 HydrophobicContact CG-CE1 3.53Å; W236-Y274 WeakPolarHBondContact CZ3-OH 3.44Å; L242-Y274 HydrophobicContact CD1-CE2 3.78Å; L242-Y274 HydrophobicContact CD2-CE2 3.97Å; L242-Y274 WeakPolarHBondContact CD2-OH 3.38Å; L242-Y274 HydrophobicContact CG-CE2 4.38Å; I253-Y274 HydrophobicContact CG2-CD1 3.92Å; I253-Y274 HydrophobicContact CG2-CD2 4.35Å; I253-Y274 HydrophobicContact CG2-CG 3.76Å; N254-Y274 PolarHBondContact O-N 3.46Å; T256-Y274 PolarHBondContact O-N 3.33Å; Y274-P276 HydrophobicContact CD1-CG 4.3Å; Y274-P276 HydrophobicContact CE1-CB 4.47Å; Y274-P276 HydrophobicContact CE1-CG 3.73Å
275S94.4Very high94.9Very high22 Ų2236.2 Ų36.215%0.15419%0.192CC..EExtended strand (participates in β ladder)trans-115.8111.6173.7174.20000109.9D277 A278 C279 R280S275-D277 PolarHBondContact O-N 3.37Å; S275-D277 PolarHBondContact OG-N 3.22Å; S275-A278 PolarHBondContact O-N 3.32Å; S275-A278 PolarHBondContact OG-N 3.3Å; S275-C279 PolarHBondContact O-N 2.89Å; S275-R280 PolarHBondContact N-O 3.24Å
276P92.5Very high95.1Very high24 Ų2438.2 Ų38.216%0.15620%0.2CC..THydrogen-bonded Turntrans-56.8-35.4172.4-26.335.3000112.5F218 W236 Y274 C279F218-P276 HydrophobicContact CE2-CG 4.17Å; F218-P276 HydrophobicContact CZ-CG 3.68Å; W236-P276 HydrophobicContact CZ2-CB 3.88Å; W236-P276 HydrophobicContact CZ2-CG 4.22Å; Y274-P276 HydrophobicContact CD1-CG 4.3Å; Y274-P276 HydrophobicContact CE1-CB 4.47Å; Y274-P276 HydrophobicContact CE1-CG 3.73Å; P276-C279 PolarHBondContact O-N 3.02Å
277D89.2Confident95.1Very high43 Ų4338.4 Ų38.423%0.2320%0.196CC..THydrogen-bonded Turntrans-71-32.1-178.1-66.3-42.5000112.4R116 F210 S275 R334R116-D277 IonicContact CZ-OD1 3.39Å; R116-D277 IonicContact CZ-OD2 3.72Å; R116-D277 IonicContact NH1-OD1 3.84Å; R116-D277 IonicContact NH1-OD2 2.91Å; R116-D277 PolarHBondContact NH1-OD2 2.86Å; R116-D277 IonicContact NH2-OD1 2.66Å; R116-D277 PolarHBondContact NH2-OD1 3.16Å; R116-D277 IonicContact NH2-OD2 3.9Å; F210-D277 VanDerWaalsContact CE2-OD1 3.3Å; F210-D277 WeakPolarHBondContact CE2-OD1 3.44Å; F210-D277 WeakPolarHBondContact CZ-OD1 3.4Å; S275-D277 PolarHBondContact O-N 3.37Å; S275-D277 PolarHBondContact OG-N 3.22Å; D277-R334 PolarHBondContact O-NH2 2.89Å
278A90.9Very high95.2Very high0 Ų039 Ų390%020%0.195CC..THydrogen-bonded Turntrans-88.4-2.1173.300000113.7S275 R280 L282 I341S275-A278 PolarHBondContact O-N 3.32Å; S275-A278 PolarHBondContact OG-N 3.3Å; A278-R280 PolarHBondContact O-N 2.98Å; A278-R280 VanDerWaalsContact O-N 3.11Å; A278-L282 HydrophobicContact CB-CD1 4.06Å; A278-I341 HydrophobicContact CB-CD1 4.32Å
279C92.2Very high95.3Very high3 Ų334.3 Ų34.32%0.0218%0.18CC..THydrogen-bonded Turntrans60.315.1177.8-52.80000116.6Y244 W245 S275 P276 C333Y244-C279 HydrophobicContact CD2-CB 4.4Å; W245-C279 HydrophobicContact CZ2-CB 4.08Å; W245-C279 WeakPolarHBondContact CZ2-O 3.36Å; W245-C279 PolarHBondContact NE1-O 3.18Å; S275-C279 PolarHBondContact O-N 2.89Å; P276-C279 PolarHBondContact O-N 3.02Å; C279-C333 HydrophobicContact CB-CB 3.51Å; C279-C333 WeakPolarHBondContact CB-SG 3.27Å; C279-C333 WeakPolarHBondContact SG-CB 3.39Å; C279-C333 CovalentContact SG-SG 2Å; C279-C333 PolarHBondContact SG-SG 3.3Å
280R95.3Very high95.3Very high22 Ų2233.6 Ų33.68%0.08318%0.181CC..EExtended strand (participates in β ladder)trans-157.9169.4178.563.8174.5-76.1-176.4-3.7111.7W245 S275 A278 L282 N316 F319 L328W245-R280 HydrophobicContact CZ2-CB 4.12Å; S275-R280 PolarHBondContact N-O 3.24Å; A278-R280 PolarHBondContact O-N 2.98Å; A278-R280 VanDerWaalsContact O-N 3.11Å; R280-L282 HydrophobicContact CG-CD2 4.04Å; R280-N316 PolarHBondContact NH2-OD1 3.48Å; R280-F319 HydrophobicContact CB-CE1 3.81Å; R280-F319 HydrophobicContact CB-CZ 4.46Å; R280-F319 HydrophobicContact CG-CE1 4.35Å; R280-F319 VanDerWaalsContact CZ-CD2 3.46Å; R280-F319 VanDerWaalsContact NE-CZ 3.26Å; R280-F319 VanDerWaalsContact NH1-CG 3.3Å; R280-F319 VanDerWaalsContact NH2-CZ 3.25Å; R280-L328 HydrophobicContact CG-CD2 4.15Å
281S96.3Very high95.2Very high15 Ų1536 Ų3611%0.10520%0.196CC..EExtended strand (participates in β ladder)trans-74.4134.8163.8-540000110.3M252 I253 N254 F273M252-S281 PolarHBondContact O-OG 3.44Å; I253-S281 WeakPolarHBondContact CA-OG 3.32Å; N254-S281 PolarHBondContact N-OG 3.37Å; F273-S281 CarbonylContact O-C 3.56Å; F273-S281 WeakPolarHBondContact O-CA 2.87Å
282L94.9Very high95Very high8 Ų838 Ų384%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-116158175.1-62.3174.4000108.9P272 F273 A278 R280 M306 F307P272-L282 CarbonylContact C-O 3.55Å; P272-L282 VanDerWaalsContact CA-O 3.27Å; P272-L282 WeakPolarHBondContact CA-O 3.31Å; F273-L282 HydrophobicContact CD1-CB 4.38Å; F273-L282 HydrophobicContact CE1-CB 3.79Å; F273-L282 HydrophobicContact CE2-CB 4.15Å; F273-L282 HydrophobicContact CE2-CD1 4.01Å; F273-L282 HydrophobicContact CZ-CB 3.67Å; F273-L282 HydrophobicContact CZ-CD1 3.81Å; F273-L282 HydrophobicContact CZ-CG 4.36Å; F273-L282 PolarHBondContact N-O 3.2Å; F273-L282 PolarHBondContact O-N 2.76Å; A278-L282 HydrophobicContact CB-CD1 4.06Å; R280-L282 HydrophobicContact CG-CD2 4.04Å; L282-M306 HydrophobicContact CB-CE 4.31Å; L282-M306 HydrophobicContact CD2-CG 4.05Å; L282-M306 HydrophobicContact CD2-SD 4.11Å; L282-F307 HydrophobicContact CD2-CE1 3.95Å; L282-F307 HydrophobicContact CD2-CZ 4.43Å
283E95.5Very high94.6Very high84 Ų8441.3 Ų41.339%0.39322%0.221SC..EExtended strand (participates in β ladder)trans-138.1130.8-178.3-176.2174.3-144.900110.5T270 L271 P303 M306T270-E283 WeakPolarHBondContact CB-OE1 3Å; T270-E283 PolarHBondContact OG1-OE1 3.35Å; L271-E283 WeakPolarHBondContact O-CA 3.45Å; E283-P303 VanDerWaalsContact O-CD 3.3Å; E283-P303 WeakPolarHBondContact O-CD 3.16Å; E283-M306 WeakPolarHBondContact O-CE 3.49Å
284L96.8Very high94.3Very high0 Ų042.7 Ų42.70%024%0.238CC..EExtended strand (participates in β ladder)trans-104.1149.2172.4-47.6-179.1000111L271 F273 F300 V301 A302 M306 L369 I371L271-L284 HydrophobicContact CB-CB 4.18Å; L271-L284 PolarHBondContact N-O 2.9Å; L271-L284 PolarHBondContact O-N 2.73Å; F273-L284 HydrophobicContact CE1-CD1 4.32Å; F273-L284 HydrophobicContact CE1-CD2 4.24Å; F273-L284 HydrophobicContact CE1-CG 3.97Å; L284-F300 HydrophobicContact CB-CB 3.9Å; L284-F300 HydrophobicContact CD1-CB 4.4Å; L284-V301 WeakPolarHBondContact CA-O 3.18Å; L284-A302 HydrophobicContact CD2-CB 4.22Å; L284-M306 HydrophobicContact CD2-CE 3.58Å; L284-L369 HydrophobicContact CD1-CD2 3.82Å; L284-L369 HydrophobicContact CD2-CD2 3.38Å; L284-L369 HydrophobicContact CG-CD2 4.26Å; L284-I371 HydrophobicContact CD1-CB 4.04Å; L284-I371 HydrophobicContact CD1-CD1 3.52Å; L284-I371 HydrophobicContact CD1-CG1 3.59Å
285V97.4Very high94Very high48 Ų4842.7 Ų42.729%0.29124%0.238SC..EExtended strand (participates in β ladder)trans-117.2147.7-178.3-60.90000110.9T270 Q287 F300 V301 P303T270-V285 HydrophobicContact CG2-CG1 4.42Å; V285-Q287 PolarHBondContact O-N 3.46Å; V285-F300 VanDerWaalsContact C-CD1 3.43Å; V285-F300 CarbonylContact O-C 3.15Å; V285-F300 VanDerWaalsContact O-CA 3.26Å; V285-F300 WeakPolarHBondContact O-CA 3.34Å; V285-V301 HydrophobicContact CG2-CG2 4.4Å; V285-V301 PolarHBondContact N-O 2.83Å; V285-V301 PolarHBondContact O-N 2.83Å; V285-P303 HydrophobicContact CG1-CB 4.28Å; V285-P303 HydrophobicContact CG1-CG 4.12Å; V285-P303 HydrophobicContact CG2-CB 3.89Å; V285-P303 HydrophobicContact CG2-CG 4.35Å
286Y97.9Very high94Very high59 Ų5944.5 Ų44.523%0.23125%0.25CC..EExtended strand (participates in β ladder)trans-59.9131.5176.4171.8-93.8000110.7K267 R288 S289 Y298K267-Y286 HydrophobicContact CB-CD1 4.23Å; K267-Y286 HydrophobicContact CB-CE1 4.2Å; K267-Y286 HydrophobicContact CB-CG 4.41Å; K267-Y286 HydrophobicContact CD-CE1 4.1Å; K267-Y286 WeakPolarHBondContact CE-OH 3.3Å; K267-Y286 HydrophobicContact CG-CD2 4.48Å; K267-Y286 HydrophobicContact CG-CE1 4.15Å; K267-Y286 HydrophobicContact CG-CE2 4.02Å; K267-Y286 WeakPolarHBondContact O-CB 3.48Å; Y286-R288 VanDerWaalsContact CE2-C 3.48Å; Y286-R288 WeakPolarHBondContact CE2-O 3.4Å; Y286-R288 VanDerWaalsContact CZ-C 3.49Å; Y286-S289 PolarHBondContact OH-N 3.29Å; Y286-S289 PolarHBondContact OH-OG 2.66Å; Y286-Y298 HydrophobicContact CD2-CD2 4.27Å; Y286-Y298 HydrophobicContact CD2-CG 4.05Å; Y286-Y298 AromaticContact CE2-CD1 3.87Å; Y286-Y298 HydrophobicContact CE2-CD1 3.87Å; Y286-Y298 HydrophobicContact CE2-CD2 4.27Å; Y286-Y298 HydrophobicContact CE2-CE1 4.42Å; Y286-Y298 AromaticContact CE2-CG 3.8Å; Y286-Y298 HydrophobicContact CE2-CG 3.8Å
287Q96.8Very high94.2Very high68 Ų6843.9 Ų43.932%0.31825%0.245SC..EExtended strand (participates in β ladder)trans-107.5-54.4173.5-168.1-169.954.200111.1V285 R299 V301 E364V285-Q287 PolarHBondContact O-N 3.46Å; Q287-R299 PolarHBondContact N-O 2.86Å; Q287-V301 HydrophobicContact CB-CG1 3.94Å; Q287-V301 HydrophobicContact CB-CG2 3.93Å; Q287-V301 HydrophobicContact CG-CG1 4.34Å; Q287-V301 HydrophobicContact CG-CG2 4.29Å; Q287-E364 PolarHBondContact NE2-OE1 3.23Å; Q287-E364 VanDerWaalsContact NE2-OE1 3.14Å
288R96.9Very high94.6Very high118 Ų11844 Ų4445%0.44524%0.243SC..EExtended strand (participates in β ladder)trans-158.5160.2-173.462.5-178.6-176.6-120.917.9112.9Y286 R299Y286-R288 VanDerWaalsContact CE2-C 3.48Å; Y286-R288 WeakPolarHBondContact CE2-O 3.4Å; Y286-R288 VanDerWaalsContact CZ-C 3.49Å; R288-R299 HydrophobicContact CG-CB 3.92Å; R288-R299 PolarHBondContact N-O 3.39Å; R288-R299 PolarHBondContact O-N 3.18Å
289S97.6Very high94.9Very high57 Ų5746.4 Ų46.440%0.39925%0.251SS..EExtended strand (participates in β ladder)trans-89.4149.7167.2-59.70000110.1Y286 L297 Y298Y286-S289 PolarHBondContact OH-N 3.29Å; Y286-S289 PolarHBondContact OH-OG 2.66Å; S289-L297 CarbonylContact C-O 3.52Å; S289-L297 WeakPolarHBondContact CA-O 3.36Å; S289-Y298 WeakPolarHBondContact OG-CD1 3.49Å; S289-Y298 VanDerWaalsContact OG-CE1 3.27Å; S289-Y298 WeakPolarHBondContact OG-CE1 3.47Å
290G95.8Very high95.2Very high30 Ų3046.2 Ų46.231%0.30925%0.25SS..EExtended strand (participates in β ladder)trans-151.7-176.9179.600000112L297G290-L297 PolarHBondContact N-O 2.79Å; G290-L297 PolarHBondContact O-N 3.29Å
291V94.4Very high95.2Very high105 Ų10546.4 Ų46.464%0.63625%0.254SS*.EExtended strand (participates in β ladder)trans-138.2132.4174.9-179.40000108.2I295V291-I295 CarbonylContact C-O 3.52Å; V291-I295 WeakPolarHBondContact CA-O 3.38Å
292M90.3Very high95.2Very high44 Ų4446.2 Ų46.222%0.21725%0.253CS..EExtended strand (participates in β ladder)trans-121.9119.6172.9172.3177.5-90.200108.4G294 I295 L297 L381 N382M292-G294 PolarHBondContact O-N 2.78Å; M292-G294 VanDerWaalsContact O-N 3.14Å; M292-I295 PolarHBondContact N-O 3.14Å; M292-I295 WeakPolarHBondContact O-CB 3.08Å; M292-I295 PolarHBondContact O-N 3.14Å; M292-L297 HydrophobicContact CB-CD2 3.45Å; M292-L297 VanDerWaalsContact CB-CD2 3.45Å; M292-L381 HydrophobicContact SD-CB 4.21Å; M292-N382 HydrophobicContact CE-CB 3.61Å; M292-N382 HydrophobicContact SD-CB 4.17Å
293N88.3Confident95.2Very high106 Ų10647 Ų4757%0.56726%0.259SS*.THydrogen-bonded Turntrans50.439.8178.7-60.2-45.9000113.3I295 L426 H430N293-I295 VanDerWaalsContact C-N 3.29Å; N293-I295 PolarHBondContact O-N 3.43Å; N293-L426 HydrophobicContact CB-CD1 4.42Å; N293-L426 HydrophobicContact CB-CD2 4.19Å; N293-L426 WeakPolarHBondContact ND2-CD2 3.47Å; N293-H430 PolarHBondContact O-CD2 2.91Å
294G89.4Confident95.1Very high39 Ų3950 Ų5040%0.40227%0.271SS..THydrogen-bonded Turntrans82.5-7.7-177.400000115.6M292M292-G294 PolarHBondContact O-N 2.78Å; M292-G294 VanDerWaalsContact O-N 3.14Å
295I92Very high95Very high1 Ų152.5 Ų52.51%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-91.5124.7-180-58.9157.8000109.7V291 M292 N293 H374 L381 L426 F429 H430 V434V291-I295 CarbonylContact C-O 3.52Å; V291-I295 WeakPolarHBondContact CA-O 3.38Å; M292-I295 PolarHBondContact N-O 3.14Å; M292-I295 WeakPolarHBondContact O-CB 3.08Å; M292-I295 PolarHBondContact O-N 3.14Å; N293-I295 VanDerWaalsContact C-N 3.29Å; N293-I295 PolarHBondContact O-N 3.43Å; I295-H374 VanDerWaalsContact CG2-CD2 3.48Å; I295-H374 WeakPolarHBondContact CG2-CD2 3.46Å; I295-L381 HydrophobicContact CB-CD1 4.23Å; I295-L381 HydrophobicContact CG2-CD1 3.61Å; I295-L381 HydrophobicContact CG2-CD2 4.47Å; I295-L426 HydrophobicContact CD1-CD1 3.59Å; I295-F429 HydrophobicContact CD1-CD1 3.85Å; I295-F429 HydrophobicContact CG1-CD1 4.47Å; I295-F429 HydrophobicContact CG2-CD1 4.23Å; I295-F429 HydrophobicContact CG2-CE1 4.03Å; I295-H430 HydrophobicContact CD1-CB 4.16Å; I295-H430 HydrophobicContact CG1-CB 4.25Å; I295-V434 HydrophobicContact CB-CG2 4.41Å; I295-V434 HydrophobicContact CG1-CG2 3.9Å
296P93.5Very high94.8Very high61 Ų6150.7 Ų50.740%0.39627%0.274SS..EExtended strand (participates in β ladder)trans-69.2141.4176.929.2-34.5000111.3H374 P375P296-H374 PolarHBondContact O-CD2 3.31Å; P296-P375 WeakPolarHBondContact O-CD 3.39Å
297L95.9Very high94.7Very high10 Ų1048.1 Ų48.15%0.05226%0.264CS..EExtended strand (participates in β ladder)trans-142.6157.9-179.665.184.1000112.3S289 G290 M292 D372 I373 L381S289-L297 CarbonylContact C-O 3.52Å; S289-L297 WeakPolarHBondContact CA-O 3.36Å; G290-L297 PolarHBondContact N-O 2.79Å; G290-L297 PolarHBondContact O-N 3.29Å; M292-L297 HydrophobicContact CB-CD2 3.45Å; M292-L297 VanDerWaalsContact CB-CD2 3.45Å; L297-D372 HydrophobicContact CD1-CB 3.93Å; L297-D372 HydrophobicContact CD2-CB 4.06Å; L297-D372 HydrophobicContact CG-CB 4.41Å; L297-I373 CarbonylContact C-O 3.56Å; L297-I373 VanDerWaalsContact CA-O 3.31Å; L297-I373 WeakPolarHBondContact CA-O 3.35Å; L297-L381 HydrophobicContact CB-CD1 3.89Å; L297-L381 HydrophobicContact CD2-CD1 4.18Å
298Y97.9Very high94.6Very high47 Ų4745.5 Ų45.518%0.18426%0.255CS..EExtended strand (participates in β ladder)trans-108.2131.3164.6-69.5-10.8000109.1K267 Y286 S289 F300 D372 I373 P375K267-Y298 HydrophobicContact CG-CE2 4.39Å; Y286-Y298 HydrophobicContact CD2-CD2 4.27Å; Y286-Y298 HydrophobicContact CD2-CG 4.05Å; Y286-Y298 AromaticContact CE2-CD1 3.87Å; Y286-Y298 HydrophobicContact CE2-CD1 3.87Å; Y286-Y298 HydrophobicContact CE2-CD2 4.27Å; Y286-Y298 HydrophobicContact CE2-CE1 4.42Å; Y286-Y298 AromaticContact CE2-CG 3.8Å; Y286-Y298 HydrophobicContact CE2-CG 3.8Å; S289-Y298 WeakPolarHBondContact OG-CD1 3.49Å; S289-Y298 VanDerWaalsContact OG-CE1 3.27Å; S289-Y298 WeakPolarHBondContact OG-CE1 3.47Å; Y298-F300 HydrophobicContact CD2-CE2 4.39Å; Y298-D372 WeakPolarHBondContact O-CA 3.4Å; Y298-I373 PolarHBondContact N-O 2.94Å; Y298-I373 PolarHBondContact O-N 3.27Å; Y298-P375 HydrophobicContact CD1-CB 4.5Å; Y298-P375 HydrophobicContact CD1-CG 4.43Å; Y298-P375 HydrophobicContact CD2-CB 3.7Å; Y298-P375 HydrophobicContact CD2-CG 4.47Å; Y298-P375 HydrophobicContact CE1-CB 4.39Å; Y298-P375 HydrophobicContact CE1-CG 4.28Å; Y298-P375 HydrophobicContact CE2-CB 3.55Å; Y298-P375 HydrophobicContact CE2-CG 4.31Å; Y298-P375 HydrophobicContact CG-CB 4.17Å
299R97.6Very high94.4Very high49 Ų4941.2 Ų41.219%0.18524%0.241CC..EExtended strand (participates in β ladder)trans-90.8119.2172.4177.9159.5-71.3-165.8-5.2109.2Q287 R288 V301 F370 D372Q287-R299 PolarHBondContact N-O 2.86Å; R288-R299 HydrophobicContact CG-CB 3.92Å; R288-R299 PolarHBondContact N-O 3.39Å; R288-R299 PolarHBondContact O-N 3.18Å; R299-V301 HydrophobicContact CG-CG1 4.06Å; R299-F370 HydrophobicContact CG-CB 4.31Å; R299-D372 VanDerWaalsContact CB-OD1 3.29Å; R299-D372 WeakPolarHBondContact CB-OD1 3.13Å; R299-D372 WeakPolarHBondContact CG-OD1 3.23Å; R299-D372 IonicContact CZ-OD1 3.72Å; R299-D372 IonicContact CZ-OD2 3.28Å; R299-D372 IonicContact NE-OD1 3.8Å; R299-D372 PolarHBondContact NE-OD1 3.33Å; R299-D372 IonicContact NE-OD2 2.72Å; R299-D372 IonicContact NH2-OD1 2.72Å; R299-D372 PolarHBondContact NH2-OD1 3.45Å; R299-D372 IonicContact NH2-OD2 2.76Å; R299-D372 PolarHBondContact NH2-OD2 2.89Å
300F97.8Very high94.1Very high0 Ų039 Ų390%023%0.226CC..EExtended strand (participates in β ladder)trans-104.2140.9171.5-72.5-96.2000109.8M265 T269 L271 L284 V285 Y298 F370 I371 I373M265-F300 HydrophobicContact SD-CE2 4.43Å; T269-F300 VanDerWaalsContact O-CE1 3.29Å; T269-F300 WeakPolarHBondContact O-CE1 3.25Å; L271-F300 HydrophobicContact CB-CD1 4.47Å; L271-F300 HydrophobicContact CD1-CB 3.72Å; L271-F300 HydrophobicContact CD1-CD1 3.78Å; L271-F300 HydrophobicContact CD1-CD2 3.54Å; L271-F300 HydrophobicContact CD1-CE1 4.27Å; L271-F300 HydrophobicContact CD1-CE2 4.05Å; L271-F300 HydrophobicContact CD1-CG 3.38Å; L271-F300 HydrophobicContact CD1-CZ 4.4Å; L271-F300 HydrophobicContact CD2-CE1 4.33Å; L271-F300 HydrophobicContact CD2-CZ 4.3Å; L271-F300 HydrophobicContact CG-CB 4.39Å; L271-F300 HydrophobicContact CG-CD1 3.6Å; L271-F300 HydrophobicContact CG-CD2 4.14Å; L271-F300 HydrophobicContact CG-CE1 3.79Å; L271-F300 HydrophobicContact CG-CE2 4.29Å; L271-F300 HydrophobicContact CG-CG 3.78Å; L271-F300 HydrophobicContact CG-CZ 4.14Å; L284-F300 HydrophobicContact CB-CB 3.9Å; L284-F300 HydrophobicContact CD1-CB 4.4Å; V285-F300 VanDerWaalsContact C-CD1 3.43Å; V285-F300 CarbonylContact O-C 3.15Å; V285-F300 VanDerWaalsContact O-CA 3.26Å; V285-F300 WeakPolarHBondContact O-CA 3.34Å; Y298-F300 HydrophobicContact CD2-CE2 4.39Å; F300-F370 CarbonylContact O-C 3.57Å; F300-F370 WeakPolarHBondContact O-CA 3.1Å; F300-F370 WeakPolarHBondContact O-CB 3.44Å; F300-I371 PolarHBondContact N-O 2.92Å; F300-I371 PolarHBondContact O-N 2.97Å; F300-I373 HydrophobicContact CD2-CG2 3.59Å; F300-I373 HydrophobicContact CE2-CG2 3.41Å; F300-I373 VanDerWaalsContact CE2-CG2 3.41Å
301V97.2Very high93.9Very high26 Ų2642.9 Ų42.916%0.15824%0.244CC..EExtended strand (participates in β ladder)trans-132.3159.1-177.6-590000111.1L284 V285 Q287 R299 P303 L369 F370L284-V301 WeakPolarHBondContact CA-O 3.18Å; V285-V301 HydrophobicContact CG2-CG2 4.4Å; V285-V301 PolarHBondContact N-O 2.83Å; V285-V301 PolarHBondContact O-N 2.83Å; Q287-V301 HydrophobicContact CB-CG1 3.94Å; Q287-V301 HydrophobicContact CB-CG2 3.93Å; Q287-V301 HydrophobicContact CG-CG1 4.34Å; Q287-V301 HydrophobicContact CG-CG2 4.29Å; R299-V301 HydrophobicContact CG-CG1 4.06Å; V301-P303 WeakPolarHBondContact O-CD 3.48Å; V301-L369 WeakPolarHBondContact CA-O 3.1Å; V301-F370 HydrophobicContact CG1-CB 4.07Å
302A96.1Very high93.7Very high11 Ų1143 Ų439%0.09124%0.242CC..  trans-67121.8169.900000110L284 M306 H343 L369L284-A302 HydrophobicContact CD2-CB 4.22Å; A302-M306 HydrophobicContact CB-CE 3.53Å; A302-M306 HydrophobicContact CB-SD 3.85Å; A302-H343 WeakPolarHBondContact CB-NE2 3.25Å; A302-L369 HydrophobicContact CB-CB 4.11Å; A302-L369 HydrophobicContact CB-CD2 4.24Å; A302-L369 PolarHBondContact N-O 2.87Å
303P95.1Very high93.9Very high25 Ų2544.9 Ų44.916%0.16225%0.247CC..  trans-69.5154.2173.730-34.7000110.6E283 V285 V301 T305 M306E283-P303 VanDerWaalsContact O-CD 3.3Å; E283-P303 WeakPolarHBondContact O-CD 3.16Å; V285-P303 HydrophobicContact CG1-CB 4.28Å; V285-P303 HydrophobicContact CG1-CG 4.12Å; V285-P303 HydrophobicContact CG2-CB 3.89Å; V285-P303 HydrophobicContact CG2-CG 4.35Å; V301-P303 WeakPolarHBondContact O-CD 3.48Å; P303-T305 PolarHBondContact O-N 3.25Å; P303-M306 HydrophobicContact CG-CB 4.42Å; P303-M306 VanDerWaalsContact O-CB 3.29Å; P303-M306 WeakPolarHBondContact O-CB 3.42Å; P303-M306 PolarHBondContact O-N 3.22Å
304K92.6Very high94.2Very high147 Ų14744 Ų4464%0.63925%0.247SC*.THydrogen-bonded Turntrans-56-25.9174.5-170.6176.1-178.6-179.10112.8M306 N348K304-M306 VanDerWaalsContact C-N 3.3Å; K304-M306 PolarHBondContact O-N 2.99Å; K304-N348 HydrophobicContact CG-CB 4.28Å
305T94Very high94.4Very high52 Ų5244.1 Ų44.132%0.31924%0.24SC..THydrogen-bonded Turntrans-73.8-13.8178.153.30000114.2P303 F307 A308 Y313 N316P303-T305 PolarHBondContact O-N 3.25Å; T305-F307 VanDerWaalsContact C-N 3.32Å; T305-F307 PolarHBondContact O-N 2.83Å; T305-A308 PolarHBondContact O-N 3.07Å; T305-Y313 HydrophobicContact CG2-CD2 3.68Å; T305-Y313 HydrophobicContact CG2-CE2 4.06Å; T305-Y313 HydrophobicContact CG2-CG 3.95Å; T305-N316 PolarHBondContact O-ND2 3.23Å
306M94.6Very high94.5Very high9 Ų944.4 Ų44.44%0.04424%0.242CC..THydrogen-bonded Turntrans-54.4-45.3-173.8-179.8-179.5-77.900113L282 E283 L284 A302 P303 K304L282-M306 HydrophobicContact CB-CE 4.31Å; L282-M306 HydrophobicContact CD2-CG 4.05Å; L282-M306 HydrophobicContact CD2-SD 4.11Å; E283-M306 WeakPolarHBondContact O-CE 3.49Å; L284-M306 HydrophobicContact CD2-CE 3.58Å; A302-M306 HydrophobicContact CB-CE 3.53Å; A302-M306 HydrophobicContact CB-SD 3.85Å; P303-M306 HydrophobicContact CG-CB 4.42Å; P303-M306 VanDerWaalsContact O-CB 3.29Å; P303-M306 WeakPolarHBondContact O-CB 3.42Å; P303-M306 PolarHBondContact O-N 3.22Å; K304-M306 VanDerWaalsContact C-N 3.3Å; K304-M306 PolarHBondContact O-N 2.99Å
307F94.8Very high94.5Very high5 Ų547.7 Ų47.72%0.02225%0.252CS..THydrogen-bonded Turntrans-117.118.4178.1-56.1-45.2000112.7L282 T305 G326 L327 L328 I341 H343 L387L282-F307 HydrophobicContact CD2-CE1 3.95Å; L282-F307 HydrophobicContact CD2-CZ 4.43Å; T305-F307 VanDerWaalsContact C-N 3.32Å; T305-F307 PolarHBondContact O-N 2.83Å; F307-G326 WeakPolarHBondContact O-CA 3.39Å; F307-G326 PolarHBondContact O-N 2.95Å; F307-L327 PolarHBondContact O-N 2.84Å; F307-L328 HydrophobicContact CD1-CB 3.86Å; F307-L328 HydrophobicContact CD1-CD2 4.32Å; F307-L328 HydrophobicContact CE1-CB 4.23Å; F307-L328 HydrophobicContact CE1-CD2 4.02Å; F307-I341 HydrophobicContact CZ-CG2 4.2Å; F307-H343 AromaticContact CD2-CE1 3.55Å; F307-H343 AromaticContact CD2-ND1 3.64Å; F307-H343 AromaticContact CE2-CE1 3.68Å; F307-H343 AromaticContact CE2-ND1 3.93Å; F307-H343 AromaticContact CE2-NE2 3.96Å; F307-L387 HydrophobicContact CE2-CD2 4.25Å; F307-L387 HydrophobicContact CZ-CD2 4.02Å
308A94.4Very high94.3Very high14 Ų1447.3 Ų47.312%0.11625%0.25CS..  trans-65.915017700000111.3T305 D312 N316T305-A308 PolarHBondContact O-N 3.07Å; A308-D312 HydrophobicContact CB-CB 4.46Å; A308-N316 WeakPolarHBondContact O-CB 3.24Å; A308-N316 PolarHBondContact O-ND2 2.83Å
309N93.8Very high94.1Very high28 Ų2845.9 Ų45.915%0.1525%0.245CC..  trans-60.6147.5173.6-172.9-39.4000110.1T311 D312 Y313 C322 R323 S325N309-T311 VanDerWaalsContact CG-OG1 3.29Å; N309-T311 PolarHBondContact O-N 2.87Å; N309-T311 VanDerWaalsContact O-N 3.16Å; N309-T311 PolarHBondContact OD1-N 2.88Å; N309-T311 PolarHBondContact OD1-OG1 3.39Å; N309-D312 PolarHBondContact O-N 3.46Å; N309-Y313 PolarHBondContact O-N 3.49Å; N309-C322 HydrophobicContact CB-CB 4.41Å; N309-C322 WeakPolarHBondContact ND2-CB 3.32Å; N309-C322 WeakPolarHBondContact OD1-CB 3.44Å; N309-R323 PolarHBondContact ND2-O 2.91Å; N309-S325 VanDerWaalsContact CB-OG 3.25Å; N309-S325 WeakPolarHBondContact CB-OG 3.28Å; N309-S325 PolarHBondContact N-OG 2.96Å
310G90.7Very high93.4Very high9 Ų944.5 Ų44.59%0.09324%0.243CC..THydrogen-bonded Turntrans-54.8-26.7172.700000114.2Y313 P314G310-Y313 WeakPolarHBondContact CA-O 3.23Å; G310-Y313 CarbonylContact O-C 3.4Å; G310-P314 VanDerWaalsContact O-CA 3.25Å; G310-P314 WeakPolarHBondContact O-CA 3.46Å
311T90.8Very high92.3Very high112 Ų11247.9 Ų47.969%0.68727%0.265SS*.THydrogen-bonded Turntrans-68.3-34.8173.456.90000113N309N309-T311 VanDerWaalsContact CG-OG1 3.29Å; N309-T311 PolarHBondContact O-N 2.87Å; N309-T311 VanDerWaalsContact O-N 3.16Å; N309-T311 PolarHBondContact OD1-N 2.88Å; N309-T311 PolarHBondContact OD1-OG1 3.39Å
312D91.8Very high91.2Very high109 Ų10948.6 Ų48.658%0.58327%0.271SS*.THydrogen-bonded Turntrans-88.4-32.7-178.3-62.5-5000111A308 N309 S325A308-D312 HydrophobicContact CB-CB 4.46Å; N309-D312 PolarHBondContact O-N 3.46Å; D312-S325 PolarHBondContact OD2-OG 3.08Å
313Y93.8Very high90.8Very high82 Ų8252.2 Ų52.232%0.32228%0.282SS..SBendtrans-136.694177.7-172.1-116.1000110T305 N309 G310 P315 N316T305-Y313 HydrophobicContact CG2-CD2 3.68Å; T305-Y313 HydrophobicContact CG2-CE2 4.06Å; T305-Y313 HydrophobicContact CG2-CG 3.95Å; N309-Y313 PolarHBondContact O-N 3.49Å; G310-Y313 WeakPolarHBondContact CA-O 3.23Å; G310-Y313 CarbonylContact O-C 3.4Å; Y313-P315 VanDerWaalsContact C-N 3.3Å; Y313-P315 HydrophobicContact CD1-CB 4.09Å; Y313-P315 HydrophobicContact CD1-CG 4.21Å; Y313-P315 HydrophobicContact CD2-CG 4.47Å; Y313-P315 HydrophobicContact CE1-CB 3.58Å; Y313-P315 HydrophobicContact CE1-CG 3.73Å; Y313-P315 HydrophobicContact CE2-CG 3.99Å; Y313-P315 VanDerWaalsContact O-N 3.09Å; Y313-N316 HydrophobicContact CD1-CB 4.24Å; Y313-N316 WeakPolarHBondContact O-CB 3.29Å; Y313-N316 PolarHBondContact O-N 2.8Å
314P94.1Very high90.7Very high88 Ų8853.5 Ų53.557%0.57129%0.286SS*.G310 helixtrans-49.1-36.9-174.5-29.435000116.2G310 N316 E317G310-P314 VanDerWaalsContact O-CA 3.25Å; G310-P314 WeakPolarHBondContact O-CA 3.46Å; P314-N316 PolarHBondContact O-N 2.88Å; P314-E317 VanDerWaalsContact O-CB 3.31Å; P314-E317 WeakPolarHBondContact O-CB 3.39Å; P314-E317 PolarHBondContact O-N 3.15Å
315P94.1Very high90.8Very high41 Ų4147.1 Ų47.127%0.26626%0.26SS..G310 helixtrans-59.7-16.9176-26.537.1000115Y313Y313-P315 VanDerWaalsContact C-N 3.3Å; Y313-P315 HydrophobicContact CD1-CB 4.09Å; Y313-P315 HydrophobicContact CD1-CG 4.21Å; Y313-P315 HydrophobicContact CD2-CG 4.47Å; Y313-P315 HydrophobicContact CE1-CB 3.58Å; Y313-P315 HydrophobicContact CE1-CG 3.73Å; Y313-P315 HydrophobicContact CE2-CG 3.99Å; Y313-P315 VanDerWaalsContact O-N 3.09Å
316N94.8Very high90.9Very high8 Ų844.9 Ų44.94%0.04325%0.247CC..G310 helixtrans-88.2-2176.3-79.5-9.4000114.6R280 T305 A308 Y313 P314 G318 F319R280-N316 PolarHBondContact NH2-OD1 3.48Å; T305-N316 PolarHBondContact O-ND2 3.23Å; A308-N316 WeakPolarHBondContact O-CB 3.24Å; A308-N316 PolarHBondContact O-ND2 2.83Å; Y313-N316 HydrophobicContact CD1-CB 4.24Å; Y313-N316 WeakPolarHBondContact O-CB 3.29Å; Y313-N316 PolarHBondContact O-N 2.8Å; P314-N316 PolarHBondContact O-N 2.88Å; N316-G318 PolarHBondContact O-N 3.41Å; N316-G318 VanDerWaalsContact O-N 3.13Å; N316-F319 HydrophobicContact CB-CD2 4.15Å; N316-F319 PolarHBondContact O-N 3.09Å
317E92.6Very high90.9Very high129 Ų12945.1 Ų45.160%0.60325%0.248SC*.G310 helixtrans-55.7-34.1-176.7-173.1179.3-176.200113.1P314 F319 C320P314-E317 VanDerWaalsContact O-CB 3.31Å; P314-E317 WeakPolarHBondContact O-CB 3.39Å; P314-E317 PolarHBondContact O-N 3.15Å; E317-F319 VanDerWaalsContact C-N 3.25Å; E317-F319 PolarHBondContact O-N 3.47Å; E317-C320 VanDerWaalsContact O-CB 3.24Å; E317-C320 WeakPolarHBondContact O-CB 3.5Å; E317-C320 PolarHBondContact O-N 2.9Å; E317-C320 PolarHBondContact O-SG 3.41Å
318G92.6Very high90.9Very high2 Ų245.1 Ų45.12%0.02125%0.248CC..G310 helixtrans-71.5-13.7178.800000115.5R246 C250 N316 C320R246-G318 PolarHBondContact N-O 3.28Å; C250-G318 WeakPolarHBondContact SG-CA 3.42Å; N316-G318 PolarHBondContact O-N 3.41Å; N316-G318 VanDerWaalsContact O-N 3.13Å; G318-C320 VanDerWaalsContact C-N 3.33Å
319F92.7Very high90.9Very high18 Ų1845.4 Ų45.48%0.07925%0.248CC..G310 helixtrans-85.9-3.9173.9-59-70.6000113.1W245 C250 R280 N316 E317 L328W245-F319 AromaticContact CD1-CE1 3.86Å; W245-F319 AromaticContact CD2-CD1 3.41Å; W245-F319 HydrophobicContact CD2-CD1 3.41Å; W245-F319 VanDerWaalsContact CD2-CD1 3.41Å; W245-F319 AromaticContact CD2-CE1 3.84Å; W245-F319 HydrophobicContact CD2-CE1 3.84Å; W245-F319 AromaticContact CE2-CD1 3.61Å; W245-F319 AromaticContact CE2-CE1 3.79Å; W245-F319 HydrophobicContact CE3-CB 4.26Å; W245-F319 AromaticContact CE3-CD1 3.62Å; W245-F319 HydrophobicContact CE3-CD1 3.62Å; W245-F319 HydrophobicContact CE3-CE1 4.49Å; W245-F319 HydrophobicContact CE3-CG 4.4Å; W245-F319 AromaticContact CG-CD1 3.83Å; W245-F319 HydrophobicContact CG-CD1 3.83Å; W245-F319 AromaticContact CG-CE1 3.86Å; W245-F319 HydrophobicContact CG-CE1 3.86Å; W245-F319 HydrophobicContact CH2-CD1 4.13Å; W245-F319 AromaticContact CZ2-CD1 3.98Å; W245-F319 HydrophobicContact CZ2-CD1 3.98Å; W245-F319 HydrophobicContact CZ2-CE1 4.37Å; W245-F319 HydrophobicContact CZ3-CB 4.28Å; W245-F319 AromaticContact CZ3-CD1 3.97Å; W245-F319 HydrophobicContact CZ3-CD1 3.97Å; W245-F319 AromaticContact NE1-CE1 3.82Å; C250-F319 HydrophobicContact CB-CD1 3.98Å; C250-F319 HydrophobicContact CB-CD2 4.26Å; C250-F319 HydrophobicContact CB-CE1 3.51Å; C250-F319 HydrophobicContact CB-CE2 3.81Å; C250-F319 HydrophobicContact CB-CG 4.32Å; C250-F319 HydrophobicContact CB-CZ 3.41Å; C250-F319 VanDerWaalsContact CB-CZ 3.41Å; C250-F319 WeakPolarHBondContact O-CE1 3.48Å; C250-F319 VanDerWaalsContact SG-CD2 3.51Å; C250-F319 WeakPolarHBondContact SG-CE2 3.4Å; C250-F319 VanDerWaalsContact SG-CZ 3.53Å; R280-F319 HydrophobicContact CB-CE1 3.81Å; R280-F319 HydrophobicContact CB-CZ 4.46Å; R280-F319 HydrophobicContact CG-CE1 4.35Å; R280-F319 VanDerWaalsContact CZ-CD2 3.46Å; R280-F319 VanDerWaalsContact NE-CZ 3.26Å; R280-F319 VanDerWaalsContact NH1-CG 3.3Å; R280-F319 VanDerWaalsContact NH2-CZ 3.25Å; N316-F319 HydrophobicContact CB-CD2 4.15Å; N316-F319 PolarHBondContact O-N 3.09Å; E317-F319 VanDerWaalsContact C-N 3.25Å; E317-F319 PolarHBondContact O-N 3.47Å; F319-L328 HydrophobicContact CB-CD1 3.94Å; F319-L328 HydrophobicContact CD1-CD1 4.32Å; F319-L328 HydrophobicContact CG-CD1 4.27Å
320C83.4Confident90.9Very high20 Ų2044.1 Ų44.114%0.13524%0.241CC..  trans-65.9156.1177-62.20000112.1R246 E317 G318 C322R246-C320 WeakPolarHBondContact CD-O 3.43Å; R246-C320 PolarHBondContact NE-O 2.85Å; E317-C320 VanDerWaalsContact O-CB 3.24Å; E317-C320 WeakPolarHBondContact O-CB 3.5Å; E317-C320 PolarHBondContact O-N 2.9Å; E317-C320 PolarHBondContact O-SG 3.41Å; G318-C320 VanDerWaalsContact C-N 3.33Å; C320-C322 VanDerWaalsContact CA-N 3.28Å; C320-C322 WeakPolarHBondContact CA-SG 3.25Å; C320-C322 HydrophobicContact CB-CB 3.93Å; C320-C322 WeakPolarHBondContact CB-SG 3.38Å; C320-C322 WeakPolarHBondContact SG-CB 3.43Å; C320-C322 CovalentContact SG-SG 2.03Å; C320-C322 PolarHBondContact SG-SG 3.1Å
321P75.2Confident90.9Very high70 Ų7045 Ų4546%0.45525%0.246SC..SBendcis-74.1114.729.628.4-31.7000111.7
322C74.3Confident90.7Very high42 Ų4241.9 Ų41.928%0.28423%0.228SC..  trans-82.5136.3-175.6-67.60000109.9N309 C320N309-C322 HydrophobicContact CB-CB 4.41Å; N309-C322 WeakPolarHBondContact ND2-CB 3.32Å; N309-C322 WeakPolarHBondContact OD1-CB 3.44Å; C320-C322 VanDerWaalsContact CA-N 3.28Å; C320-C322 WeakPolarHBondContact CA-SG 3.25Å; C320-C322 HydrophobicContact CB-CB 3.93Å; C320-C322 WeakPolarHBondContact CB-SG 3.38Å; C320-C322 WeakPolarHBondContact SG-CB 3.43Å; C320-C322 CovalentContact SG-SG 2.03Å; C320-C322 PolarHBondContact SG-SG 3.1Å
323R86.6Confident90.6Very high87 Ų8737.8 Ų37.833%0.32821%0.208SC..  trans-101.8-157.7168.3-73.5-66.7-170.91564.1108N309 L327 F340 Y392 E407N309-R323 PolarHBondContact ND2-O 2.91Å; R323-L327 HydrophobicContact CB-CD1 4.12Å; R323-F340 HydrophobicContact CB-CE1 4.41Å; R323-F340 HydrophobicContact CG-CE1 3.93Å; R323-F340 HydrophobicContact CG-CZ 4.14Å; R323-Y392 VanDerWaalsContact NH2-CE2 3.35Å; R323-Y392 PolarHBondContact NH2-OH 3.34Å; R323-E407 IonicContact CZ-OE1 2.73Å; R323-E407 IonicContact NH1-OE1 3.34Å; R323-E407 PolarHBondContact NH1-OE1 3.02Å; R323-E407 IonicContact NH2-OE1 2.75Å; R323-E407 PolarHBondContact NH2-OE1 2.95Å
324Q92.9Very high90.3Very high51 Ų5138 Ų3824%0.23821%0.208CC..SBendtrans-52.3146.3171.1-64.187.1-16.700111.3D350 V352 L353Q324-D350 HydrophobicContact CB-CB 3.78Å; Q324-D350 HydrophobicContact CG-CB 4.41Å; Q324-V352 HydrophobicContact CB-CG1 4.47Å; Q324-V352 HydrophobicContact CG-CG1 3.6Å; Q324-L353 HydrophobicContact CB-CD1 4.2Å; Q324-L353 HydrophobicContact CB-CD2 4.07Å; Q324-L353 HydrophobicContact CB-CG 4.1Å; Q324-L353 HydrophobicContact CG-CD2 4.19Å; Q324-L353 HydrophobicContact CG-CG 4.49Å
325S95.4Very high89.9Confident14 Ų1441.1 Ų41.110%0.09821%0.21CC..THydrogen-bonded Turntrans-56.8141.9176.9-79.80000111.2N309 D312 A349 D350N309-S325 VanDerWaalsContact CB-OG 3.25Å; N309-S325 WeakPolarHBondContact CB-OG 3.28Å; N309-S325 PolarHBondContact N-OG 2.96Å; D312-S325 PolarHBondContact OD2-OG 3.08Å; S325-A349 CarbonylContact O-C 3.59Å; S325-A349 WeakPolarHBondContact O-CA 3.03Å; S325-A349 WeakPolarHBondContact O-CB 3.41Å; S325-D350 PolarHBondContact O-N 3.26Å
326G94.6Very high89.5Confident4 Ų444.7 Ų44.74%0.04123%0.227CC..THydrogen-bonded Turntrans98.21.9-175.900000114.9F307 S342F307-G326 WeakPolarHBondContact O-CA 3.39Å; F307-G326 PolarHBondContact O-N 2.95Å; G326-S342 VanDerWaalsContact O-CB 3.25Å; G326-S342 WeakPolarHBondContact O-CB 3.35Å
327L95.4Very high89.2Confident14 Ų1445 Ų457%0.07323%0.229CC..  trans-120.1130.8179-61.3179.1000111.5F307 R323 F340 F346 L353 V409F307-L327 PolarHBondContact O-N 2.84Å; R323-L327 HydrophobicContact CB-CD1 4.12Å; L327-F340 HydrophobicContact CB-CD1 4.02Å; L327-F346 HydrophobicContact CD2-CD1 3.98Å; L327-F346 HydrophobicContact CD2-CE1 3.74Å; L327-L353 HydrophobicContact CD1-CD1 3.85Å; L327-L353 HydrophobicContact CD1-CD2 3.83Å; L327-L353 HydrophobicContact CD2-CD1 3.97Å; L327-L353 HydrophobicContact CG-CD1 3.72Å; L327-V409 HydrophobicContact CD1-CB 4.29Å; L327-V409 HydrophobicContact CD1-CG1 4.17Å; L327-V409 HydrophobicContact CD1-CG2 3.89Å; L327-V409 HydrophobicContact CD2-CG1 4.11Å
328L95.1Very high89.3Confident6 Ų639.3 Ų39.33%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-109.9115.6170.9177.967.6000109.9W245 R280 F307 F319 V330 F340 I341W245-L328 HydrophobicContact CH2-CD1 3.98Å; W245-L328 HydrophobicContact CH2-CG 4.44Å; W245-L328 HydrophobicContact CZ3-CD1 4.43Å; R280-L328 HydrophobicContact CG-CD2 4.15Å; F307-L328 HydrophobicContact CD1-CB 3.86Å; F307-L328 HydrophobicContact CD1-CD2 4.32Å; F307-L328 HydrophobicContact CE1-CB 4.23Å; F307-L328 HydrophobicContact CE1-CD2 4.02Å; F319-L328 HydrophobicContact CB-CD1 3.94Å; F319-L328 HydrophobicContact CD1-CD1 4.32Å; F319-L328 HydrophobicContact CG-CD1 4.27Å; L328-V330 HydrophobicContact CD2-CG1 4.04Å; L328-V330 HydrophobicContact CG-CG1 4.05Å; L328-V330 PolarHBondContact O-N 3.37Å; L328-F340 CarbonylContact O-C 3.59Å; L328-F340 VanDerWaalsContact O-CA 3.24Å; L328-F340 WeakPolarHBondContact O-CA 3.46Å; L328-I341 HydrophobicContact CB-CB 4.37Å; L328-I341 PolarHBondContact N-O 3Å; L328-I341 PolarHBondContact O-N 2.98Å
329N94.4Very high89.3Confident19 Ų1939.7 Ų39.710%0.10221%0.206CC..EExtended strand (participates in β ladder)trans-73.5121.2172.2-172.8-6.4000110W245 S331 F340W245-N329 VanDerWaalsContact CH2-O 3.26Å; W245-N329 WeakPolarHBondContact CH2-O 3.31Å; W245-N329 WeakPolarHBondContact CZ3-O 3.35Å; N329-S331 WeakPolarHBondContact OD1-CB 3.32Å; N329-S331 PolarHBondContact OD1-N 2.97Å; N329-S331 PolarHBondContact OD1-OG 3.46Å; N329-F340 HydrophobicContact CB-CD1 3.92Å; N329-F340 HydrophobicContact CB-CE1 3.47Å; N329-F340 VanDerWaalsContact CB-CE1 3.47Å; N329-F340 HydrophobicContact CB-CZ 3.89Å
330V93.1Very high89.5Confident2 Ų239.2 Ų39.21%0.01220%0.204CC..  trans-109.517.5179.1-66.60000112.9L328 S332 C333 R334 V339 I341L328-V330 HydrophobicContact CD2-CG1 4.04Å; L328-V330 HydrophobicContact CG-CG1 4.05Å; L328-V330 PolarHBondContact O-N 3.37Å; V330-S332 PolarHBondContact O-N 2.91Å; V330-C333 PolarHBondContact O-N 3.3Å; V330-C333 PolarHBondContact O-SG 3.39Å; V330-R334 HydrophobicContact CB-CG 4.33Å; V330-R334 HydrophobicContact CG2-CG 4.08Å; V330-R334 WeakPolarHBondContact O-CB 3.43Å; V330-R334 WeakPolarHBondContact O-CG 3.02Å; V330-R334 PolarHBondContact O-N 3Å; V330-R334 VanDerWaalsContact O-N 3.09Å; V330-V339 HydrophobicContact CG2-CB 4.02Å; V330-V339 HydrophobicContact CG2-CG1 3.87Å; V330-V339 VanDerWaalsContact CG2-O 3.27Å; V330-V339 WeakPolarHBondContact CG2-O 3.46Å; V330-V339 PolarHBondContact N-O 3.39Å; V330-I341 HydrophobicContact CG1-CD1 3.66Å; V330-I341 HydrophobicContact CG1-CG1 3.87Å; V330-I341 HydrophobicContact CG2-CD1 4.39Å; V330-I341 HydrophobicContact CG2-CG1 4.09Å
331S90.5Very high90Very high28 Ų2838.5 Ų38.520%0.19620%0.199CC..THydrogen-bonded Turntrans-57-35.4179.670.10000113N329 C333 R334 N336 S337N329-S331 WeakPolarHBondContact OD1-CB 3.32Å; N329-S331 PolarHBondContact OD1-N 2.97Å; N329-S331 PolarHBondContact OD1-OG 3.46Å; S331-C333 VanDerWaalsContact C-N 3.29Å; S331-C333 PolarHBondContact O-N 2.97Å; S331-R334 CarbonylContact O-C 3.59Å; S331-R334 PolarHBondContact O-N 3.37Å; S331-N336 WeakPolarHBondContact O-CA 3.1Å; S331-N336 PolarHBondContact O-N 3.4Å; S331-S337 WeakPolarHBondContact CA-O 3.36Å; S331-S337 WeakPolarHBondContact CB-O 3.05Å
332S88.4Confident91Very high45 Ų4535.2 Ų35.232%0.31518%0.177SC..THydrogen-bonded Turntrans-62.4-31.1-177.953.50000114Y244 V330Y244-S332 WeakPolarHBondContact O-CB 3.43Å; Y244-S332 PolarHBondContact O-OG 3.4Å; V330-S332 PolarHBondContact O-N 2.91Å
333C87.9Confident92.1Very high24 Ų2433.4 Ų33.416%0.16216%0.164CC..THydrogen-bonded Turntrans-103.8-8.6177.464.60000113.3Y244 C279 V330 S331Y244-C333 HydrophobicContact CD1-CB 4.3Å; Y244-C333 HydrophobicContact CD2-CB 3.94Å; Y244-C333 HydrophobicContact CE1-CB 4.42Å; Y244-C333 HydrophobicContact CE2-CB 4.06Å; Y244-C333 HydrophobicContact CG-CB 4.07Å; C279-C333 HydrophobicContact CB-CB 3.51Å; C279-C333 WeakPolarHBondContact CB-SG 3.27Å; C279-C333 WeakPolarHBondContact SG-CB 3.39Å; C279-C333 CovalentContact SG-SG 2Å; C279-C333 PolarHBondContact SG-SG 3.3Å; V330-C333 PolarHBondContact O-N 3.3Å; V330-C333 PolarHBondContact O-SG 3.39Å; S331-C333 VanDerWaalsContact C-N 3.29Å; S331-C333 PolarHBondContact O-N 2.97Å
334R87.9Confident92.7Very high85 Ų8529.2 Ų29.232%0.32115%0.149SC..THydrogen-bonded Turntrans-114.247.1-178.3-61.4-59.5-176.4167.8-1.4111.7D277 V330 S331 N336 S337D277-R334 PolarHBondContact O-NH2 2.89Å; V330-R334 HydrophobicContact CB-CG 4.33Å; V330-R334 HydrophobicContact CG2-CG 4.08Å; V330-R334 WeakPolarHBondContact O-CB 3.43Å; V330-R334 WeakPolarHBondContact O-CG 3.02Å; V330-R334 PolarHBondContact O-N 3Å; V330-R334 VanDerWaalsContact O-N 3.09Å; S331-R334 CarbonylContact O-C 3.59Å; S331-R334 PolarHBondContact O-N 3.37Å; R334-N336 VanDerWaalsContact C-N 3.26Å; R334-N336 PolarHBondContact O-N 2.85Å; R334-S337 WeakPolarHBondContact O-CB 3.38Å; R334-S337 PolarHBondContact O-N 2.93Å
335Y85.1Confident92.9Very high154 Ų15427.2 Ų27.260%0.60414%0.139SC*.THydrogen-bonded Turntrans53.640.6173.1-54.1-88.4000113.8M146 P199 S337M146-Y335 VanDerWaalsContact CE-O 3.26Å; M146-Y335 WeakPolarHBondContact CE-O 3.43Å; P199-Y335 HydrophobicContact CB-CD1 3.71Å; P199-Y335 HydrophobicContact CB-CD2 3.3Å; P199-Y335 HydrophobicContact CB-CE1 3.79Å; P199-Y335 HydrophobicContact CB-CE2 3.41Å; P199-Y335 VanDerWaalsContact CB-CE2 3.41Å; P199-Y335 HydrophobicContact CB-CG 3.45Å; P199-Y335 VanDerWaalsContact CB-CG 3.45Å; P199-Y335 HydrophobicContact CG-CD2 3.97Å; P199-Y335 HydrophobicContact CG-CE2 4.41Å; P199-Y335 HydrophobicContact CG-CG 4.18Å; Y335-S337 PolarHBondContact O-N 2.86Å; Y335-S337 VanDerWaalsContact O-N 3.16Å
336N87Confident93Very high116 Ų11626.8 Ų26.862%0.6214%0.136SC*.THydrogen-bonded Turntrans61.412.9-175.5-64.1-32.9000115.4M146 S331 R334M146-N336 HydrophobicContact CE-CB 4.07Å; M146-N336 WeakPolarHBondContact CG-O 3.32Å; S331-N336 WeakPolarHBondContact O-CA 3.1Å; S331-N336 PolarHBondContact O-N 3.4Å; R334-N336 VanDerWaalsContact C-N 3.26Å; R334-N336 PolarHBondContact O-N 2.85Å
337S89.1Confident93.1Very high14 Ų1428 Ų2810%0.09814%0.14CC..  trans-64.6137.7175.9-1650000111.3M138 S331 R334 Y335 V339M138-S337 WeakPolarHBondContact CE-OG 3.32Å; S331-S337 WeakPolarHBondContact CA-O 3.36Å; S331-S337 WeakPolarHBondContact CB-O 3.05Å; R334-S337 WeakPolarHBondContact O-CB 3.38Å; R334-S337 PolarHBondContact O-N 2.93Å; Y335-S337 PolarHBondContact O-N 2.86Å; Y335-S337 VanDerWaalsContact O-N 3.16Å; S337-V339 PolarHBondContact O-N 3.31Å
338P93.3Very high93Very high10 Ų1030.1 Ų30.17%0.06515%0.151CC..  trans-7953.6-174.734.4-37.4000112V145 L391 Y392V145-P338 HydrophobicContact CB-CB 4.45Å; V145-P338 HydrophobicContact CB-CG 4.18Å; V145-P338 HydrophobicContact CG1-CB 4.12Å; V145-P338 HydrophobicContact CG1-CG 4.38Å; P338-L391 HydrophobicContact CG-CD1 4.04Å; P338-Y392 HydrophobicContact CB-CD1 4.27Å; P338-Y392 PolarHBondContact O-N 3.18Å
339V93.6Very high93Very high10 Ų1030.6 Ų30.66%0.06116%0.156CC..EExtended strand (participates in β ladder)trans-97.3139-178.7178.30000110.5M138 V330 S337 L389 N390M138-V339 HydrophobicContact CE-CG2 3.38Å; M138-V339 HydrophobicContact SD-CG2 4.33Å; V330-V339 HydrophobicContact CG2-CB 4.02Å; V330-V339 HydrophobicContact CG2-CG1 3.87Å; V330-V339 VanDerWaalsContact CG2-O 3.27Å; V330-V339 WeakPolarHBondContact CG2-O 3.46Å; V330-V339 PolarHBondContact N-O 3.39Å; S337-V339 PolarHBondContact O-N 3.31Å; V339-L389 HydrophobicContact CG1-CD2 4.45Å; V339-N390 WeakPolarHBondContact CA-O 3.38Å
340F95.3Very high93.1Very high8 Ų832.6 Ų32.64%0.03517%0.166CC..EExtended strand (participates in β ladder)trans-123.5138.3177-71.4-103.9000110.9R323 L327 L328 N329 N390 Y392 V409R323-F340 HydrophobicContact CB-CE1 4.41Å; R323-F340 HydrophobicContact CG-CE1 3.93Å; R323-F340 HydrophobicContact CG-CZ 4.14Å; L327-F340 HydrophobicContact CB-CD1 4.02Å; L328-F340 CarbonylContact O-C 3.59Å; L328-F340 VanDerWaalsContact O-CA 3.24Å; L328-F340 WeakPolarHBondContact O-CA 3.46Å; N329-F340 HydrophobicContact CB-CD1 3.92Å; N329-F340 HydrophobicContact CB-CE1 3.47Å; N329-F340 VanDerWaalsContact CB-CE1 3.47Å; N329-F340 HydrophobicContact CB-CZ 3.89Å; F340-N390 HydrophobicContact CB-CB 4.24Å; F340-N390 PolarHBondContact N-O 2.91Å; F340-N390 PolarHBondContact O-N 3.45Å; F340-N390 PolarHBondContact O-ND2 3.15Å; F340-Y392 VanDerWaalsContact CE2-CB 3.44Å; F340-Y392 HydrophobicContact CE2-CG 4.11Å; F340-V409 HydrophobicContact CB-CG1 4.24Å; F340-V409 HydrophobicContact CG-CG1 4.49Å
341I95.6Very high93.1Very high6 Ų636.7 Ų36.73%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-96139.4169.9-61.1-178.6000109.1A278 F307 L328 V330 L387 Q388 L389A278-I341 HydrophobicContact CB-CD1 4.32Å; F307-I341 HydrophobicContact CZ-CG2 4.2Å; L328-I341 HydrophobicContact CB-CB 4.37Å; L328-I341 PolarHBondContact N-O 3Å; L328-I341 PolarHBondContact O-N 2.98Å; V330-I341 HydrophobicContact CG1-CD1 3.66Å; V330-I341 HydrophobicContact CG1-CG1 3.87Å; V330-I341 HydrophobicContact CG2-CD1 4.39Å; V330-I341 HydrophobicContact CG2-CG1 4.09Å; I341-L387 HydrophobicContact CG2-CB 4.41Å; I341-L387 HydrophobicContact CG2-CD2 3.9Å; I341-Q388 WeakPolarHBondContact CA-O 3.36Å; I341-L389 HydrophobicContact CG1-CD2 4.15Å
342S96.6Very high93.3Very high0 Ų037.5 Ų37.50%020%0.197CC..EExtended strand (participates in β ladder)trans-143.5177.6171.367.10000110.7G326 F346 Q388 N390G326-S342 VanDerWaalsContact O-CB 3.25Å; G326-S342 WeakPolarHBondContact O-CB 3.35Å; S342-F346 WeakPolarHBondContact OG-CD1 3.48Å; S342-Q388 PolarHBondContact N-O 3.01Å; S342-Q388 PolarHBondContact O-N 3.36Å; S342-Q388 WeakPolarHBondContact OG-CB 3.42Å; S342-Q388 PolarHBondContact OG-NE2 3.12Å; S342-N390 PolarHBondContact OG-ND2 3.13Å
343H97.1Very high93.6Very high4 Ų435.6 Ų35.62%0.01918%0.183CC..SBendtrans-70.6156.9159.2-63.3101.2000110.1A302 F307 F346 F347A302-H343 WeakPolarHBondContact CB-NE2 3.25Å; F307-H343 AromaticContact CD2-CE1 3.55Å; F307-H343 AromaticContact CD2-ND1 3.64Å; F307-H343 AromaticContact CE2-CE1 3.68Å; F307-H343 AromaticContact CE2-ND1 3.93Å; F307-H343 AromaticContact CE2-NE2 3.96Å; H343-F346 PolarHBondContact O-N 3Å; H343-F347 HydrophobicContact CB-CB 3.98Å; H343-F347 HydrophobicContact CB-CD1 4.4Å; H343-F347 WeakPolarHBondContact CB-O 3.5Å; H343-F347 PolarHBondContact ND1-O 2.91Å
344P98.1Very high94Very high0 Ų037 Ų370%019%0.189CC..G310 helixtrans-53.4143.2174.1-25.133.7000112.9F346 F347 H367 R386 W414P344-F346 PolarHBondContact O-N 2.94Å; P344-F347 VanDerWaalsContact O-CB 3.29Å; P344-F347 WeakPolarHBondContact O-CB 3.3Å; P344-F347 PolarHBondContact O-N 3.43Å; P344-H367 HydrophobicContact CB-CB 3.89Å; P344-H367 WeakPolarHBondContact CB-CD2 3.45Å; P344-H367 HydrophobicContact CG-CB 4.34Å; P344-R386 HydrophobicContact CG-CB 3.73Å; P344-W414 HydrophobicContact CB-CB 4.01Å; P344-W414 HydrophobicContact CB-CD2 3.71Å; P344-W414 HydrophobicContact CB-CE3 3.98Å; P344-W414 HydrophobicContact CB-CG 3.74Å; P344-W414 HydrophobicContact CG-CB 4.1Å; P344-W414 HydrophobicContact CG-CD2 3.87Å; P344-W414 HydrophobicContact CG-CE3 3.63Å; P344-W414 HydrophobicContact CG-CG 4.1Å; P344-W414 HydrophobicContact CG-CZ3 4.29Å
345H98.1Very high94.3Very high8 Ų837.9 Ų37.94%0.03720%0.2CC..G310 helixtrans52.623.3-177.8-72.8-100.7000114.4F69 Q87 F347 L354 L360 H361 P362 H367 W414F69-H345 AromaticContact CE1-CE1 3.54Å; F69-H345 AromaticContact CE1-NE2 3.55Å; F69-H345 AromaticContact CZ-CD2 3.85Å; F69-H345 AromaticContact CZ-CE1 3.98Å; F69-H345 AromaticContact CZ-NE2 3.62Å; Q87-H345 PolarHBondContact OE1-NE2 3.42Å; H345-F347 PolarHBondContact O-N 3.06Å; H345-L354 WeakPolarHBondContact O-CD2 3.42Å; H345-L360 WeakPolarHBondContact ND1-CA 3.29Å; H345-H361 PolarHBondContact ND1-N 3.27Å; H345-P362 HydrophobicContact CB-CB 4.02Å; H345-P362 WeakPolarHBondContact O-CB 3.41Å; H345-H367 AromaticContact CD2-CD2 3.59Å; H345-H367 AromaticContact CD2-CE1 3.82Å; H345-H367 AromaticContact CD2-NE2 3.08Å; H345-H367 PolarHBondContact CD2-NE2 2.84Å; H345-H367 AromaticContact CG-NE2 3.72Å; H345-H367 AromaticContact NE2-NE2 3.74Å; H345-W414 AromaticContact CD2-NE1 3.82Å; H345-W414 AromaticContact NE2-NE1 3.71Å
346F97.6Very high94.7Very high6 Ų635.1 Ų35.13%0.02619%0.189CC..G310 helixtrans56.534.4-171.1-54.4-55.8000113.3L327 S342 H343 P344 N348 A349 L353 L354 L360 N390 V409 P411L327-F346 HydrophobicContact CD2-CD1 3.98Å; L327-F346 HydrophobicContact CD2-CE1 3.74Å; S342-F346 WeakPolarHBondContact OG-CD1 3.48Å; H343-F346 PolarHBondContact O-N 3Å; P344-F346 PolarHBondContact O-N 2.94Å; F346-N348 PolarHBondContact O-N 3.46Å; F346-A349 HydrophobicContact CB-CB 3.8Å; F346-A349 WeakPolarHBondContact O-CB 3.5Å; F346-A349 PolarHBondContact O-N 3.42Å; F346-L353 HydrophobicContact CB-CB 4.42Å; F346-L353 HydrophobicContact CD1-CD1 4.27Å; F346-L353 HydrophobicContact CD2-CB 3.96Å; F346-L353 HydrophobicContact CE2-CB 4.42Å; F346-L353 HydrophobicContact CG-CB 4.15Å; F346-L353 HydrophobicContact CG-CD1 4.35Å; F346-L354 HydrophobicContact CB-CD2 4.16Å; F346-L354 HydrophobicContact CD2-CD2 4.36Å; F346-L360 HydrophobicContact CD2-CD1 3.45Å; F346-L360 VanDerWaalsContact CD2-CD1 3.45Å; F346-L360 HydrophobicContact CE2-CD1 3.54Å; F346-N390 WeakPolarHBondContact CE1-OD1 3.33Å; F346-N390 WeakPolarHBondContact CZ-OD1 3.23Å; F346-V409 HydrophobicContact CE1-CG1 4.44Å; F346-V409 HydrophobicContact CZ-CG1 4.37Å; F346-P411 HydrophobicContact CE2-CG 4.47Å; F346-P411 HydrophobicContact CZ-CB 4.34Å
347F96.9Very high95.1Very high30 Ų3029.7 Ų29.713%0.13216%0.16CC..THydrogen-bonded Turntrans-54.6137.1172.3176.3-110.4000111.2H343 P344 H345 A349 P362 E364 H367H343-F347 HydrophobicContact CB-CB 3.98Å; H343-F347 HydrophobicContact CB-CD1 4.4Å; H343-F347 WeakPolarHBondContact CB-O 3.5Å; H343-F347 PolarHBondContact ND1-O 2.91Å; P344-F347 VanDerWaalsContact O-CB 3.29Å; P344-F347 WeakPolarHBondContact O-CB 3.3Å; P344-F347 PolarHBondContact O-N 3.43Å; H345-F347 PolarHBondContact O-N 3.06Å; F347-A349 PolarHBondContact O-N 3.35Å; F347-A349 VanDerWaalsContact O-N 3.11Å; F347-P362 HydrophobicContact CB-CB 3.98Å; F347-P362 HydrophobicContact CD2-CB 4.3Å; F347-E364 HydrophobicContact CE2-CB 3.96Å; F347-E364 HydrophobicContact CZ-CB 3.79Å; F347-E364 HydrophobicContact CZ-CG 3.96Å; F347-H367 HydrophobicContact CB-CB 3.79Å; F347-H367 HydrophobicContact CG-CB 4.13Å
348N93.3Very high95.5Very high57 Ų5732.9 Ų32.931%0.30518%0.176SC..THydrogen-bonded Turntrans58.613.3-173.9-78.6-22.4000116.1K304 F346K304-N348 HydrophobicContact CG-CB 4.28Å; F346-N348 PolarHBondContact O-N 3.46Å
349A95.2Very high95.7Very high16 Ų1634 Ų3413%0.13219%0.188CC..SBendtrans-90.5176.5174.900000112.7S325 F346 F347 L353S325-A349 CarbonylContact O-C 3.59Å; S325-A349 WeakPolarHBondContact O-CA 3.03Å; S325-A349 WeakPolarHBondContact O-CB 3.41Å; F346-A349 HydrophobicContact CB-CB 3.8Å; F346-A349 WeakPolarHBondContact O-CB 3.5Å; F346-A349 PolarHBondContact O-N 3.42Å; F347-A349 PolarHBondContact O-N 3.35Å; F347-A349 VanDerWaalsContact O-N 3.11Å; A349-L353 HydrophobicContact CB-CD1 3.8Å
350D95.3Very high95.9Very high61 Ų6134.2 Ų34.233%0.32619%0.189SC..  trans-61.4125.4171.5-167.3-34.8000110.2Q324 S325 V352 L353Q324-D350 HydrophobicContact CB-CB 3.78Å; Q324-D350 HydrophobicContact CG-CB 4.41Å; S325-D350 PolarHBondContact O-N 3.26Å; D350-V352 HydrophobicContact CB-CG1 4.23Å; D350-V352 PolarHBondContact O-N 3.43Å; D350-V352 WeakPolarHBondContact OD1-CG1 3.39Å; D350-V352 PolarHBondContact OD1-N 2.86Å; D350-V352 VanDerWaalsContact OD1-N 3.14Å; D350-L353 WeakPolarHBondContact O-CB 3.29Å; D350-L353 PolarHBondContact O-N 3.14Å
351P94.1Very high96Very high89 Ų8940.4 Ų40.458%0.57822%0.218SC*.THydrogen-bonded Turntrans-53.9-27.4-179.1-27.735.1000114.5L353 L354P351-L353 PolarHBondContact O-N 3.3Å; P351-L353 VanDerWaalsContact O-N 3.11Å; P351-L354 WeakPolarHBondContact O-CB 3.33Å; P351-L354 PolarHBondContact O-N 3.39Å
352V94.4Very high96Very high44 Ų4442.1 Ų42.127%0.26723%0.23SC..Hα-helixtrans-59.5-25.4179770000112.5Q324 D350 L354 D355 Y356Q324-V352 HydrophobicContact CB-CG1 4.47Å; Q324-V352 HydrophobicContact CG-CG1 3.6Å; D350-V352 HydrophobicContact CB-CG1 4.23Å; D350-V352 PolarHBondContact O-N 3.43Å; D350-V352 WeakPolarHBondContact OD1-CG1 3.39Å; D350-V352 PolarHBondContact OD1-N 2.86Å; D350-V352 VanDerWaalsContact OD1-N 3.14Å; V352-L354 VanDerWaalsContact C-N 3.26Å; V352-L354 PolarHBondContact O-N 3.36Å; V352-D355 WeakPolarHBondContact O-CB 2.97Å; V352-D355 PolarHBondContact O-N 3.11Å; V352-Y356 HydrophobicContact CG2-CE2 3.82Å; V352-Y356 WeakPolarHBondContact O-CD2 3.31Å; V352-Y356 WeakPolarHBondContact O-CE2 3.26Å
353L94.6Very high96Very high5 Ų544.8 Ų44.83%0.02625%0.246CC..Hα-helixtrans-65.6-30.5175.8-64.7174.5000112.5Q324 L327 F346 A349 D350 P351 D355Q324-L353 HydrophobicContact CB-CD1 4.2Å; Q324-L353 HydrophobicContact CB-CD2 4.07Å; Q324-L353 HydrophobicContact CB-CG 4.1Å; Q324-L353 HydrophobicContact CG-CD2 4.19Å; Q324-L353 HydrophobicContact CG-CG 4.49Å; L327-L353 HydrophobicContact CD1-CD1 3.85Å; L327-L353 HydrophobicContact CD1-CD2 3.83Å; L327-L353 HydrophobicContact CD2-CD1 3.97Å; L327-L353 HydrophobicContact CG-CD1 3.72Å; F346-L353 HydrophobicContact CB-CB 4.42Å; F346-L353 HydrophobicContact CD1-CD1 4.27Å; F346-L353 HydrophobicContact CD2-CB 3.96Å; F346-L353 HydrophobicContact CE2-CB 4.42Å; F346-L353 HydrophobicContact CG-CB 4.15Å; F346-L353 HydrophobicContact CG-CD1 4.35Å; A349-L353 HydrophobicContact CB-CD1 3.8Å; D350-L353 WeakPolarHBondContact O-CB 3.29Å; D350-L353 PolarHBondContact O-N 3.14Å; P351-L353 PolarHBondContact O-N 3.3Å; P351-L353 VanDerWaalsContact O-N 3.11Å; L353-D355 VanDerWaalsContact C-N 3.3Å
354L95.1Very high95.8Very high55 Ų5550.3 Ų50.329%0.28827%0.272SS..Hα-helixtrans-73.7-24.7176.2-55175.5000111.6H345 F346 P351 V352 Y356 V357 L360 P362H345-L354 WeakPolarHBondContact O-CD2 3.42Å; F346-L354 HydrophobicContact CB-CD2 4.16Å; F346-L354 HydrophobicContact CD2-CD2 4.36Å; P351-L354 WeakPolarHBondContact O-CB 3.33Å; P351-L354 PolarHBondContact O-N 3.39Å; V352-L354 VanDerWaalsContact C-N 3.26Å; V352-L354 PolarHBondContact O-N 3.36Å; L354-Y356 VanDerWaalsContact C-N 3.3Å; L354-Y356 PolarHBondContact O-N 3.32Å; L354-V357 VanDerWaalsContact O-O 3.12Å; L354-L360 HydrophobicContact CD2-CB 4Å; L354-L360 HydrophobicContact CD2-CD1 4.25Å; L354-P362 HydrophobicContact CD1-CG 3.92Å; L354-P362 HydrophobicContact CD2-CG 4.07Å
355D94.1Very high95.6Very high102 Ų10258.5 Ų58.555%0.54531%0.31SS..Hα-helixtrans-74.5-21.9178.5-66.6-30.9000112.9K82 V352 L353K82-D355 WeakPolarHBondContact CE-O 3.17Å; K82-D355 PolarHBondContact NZ-O 3.47Å; V352-D355 WeakPolarHBondContact O-CB 2.97Å; V352-D355 PolarHBondContact O-N 3.11Å; L353-D355 VanDerWaalsContact C-N 3.3Å
356Y94.1Very high95.4Very high96 Ų9663.6 Ų63.638%0.37633%0.334SS..Hα-helixtrans-84-24.3-179.1-71.1-70.3000113.6P83 V352 L354P83-Y356 WeakPolarHBondContact CD-O 3.5Å; V352-Y356 HydrophobicContact CG2-CE2 3.82Å; V352-Y356 WeakPolarHBondContact O-CD2 3.31Å; V352-Y356 WeakPolarHBondContact O-CE2 3.26Å; L354-Y356 VanDerWaalsContact C-N 3.3Å; L354-Y356 PolarHBondContact O-N 3.32Å
357V96.6Very high95.4Very high2 Ų263.4 Ų63.41%0.01233%0.333CS..SBendtrans-133.7120-175.1-1780000110.2P83 V85 L354 L360 V408 M410 P411P83-V357 HydrophobicContact CB-CG1 4.42Å; P83-V357 HydrophobicContact CB-CG2 4.46Å; V85-V357 HydrophobicContact CG1-CG1 4.21Å; V85-V357 HydrophobicContact CG2-CG1 3.81Å; L354-V357 VanDerWaalsContact O-O 3.12Å; V357-L360 HydrophobicContact CB-CD1 3.93Å; V357-L360 HydrophobicContact CB-CG 4.4Å; V357-L360 HydrophobicContact CG1-CD1 4.12Å; V357-L360 HydrophobicContact CG1-CG 4.16Å; V357-V408 HydrophobicContact CG2-CG2 3.78Å; V357-M410 HydrophobicContact CG2-SD 4.18Å; V357-P411 HydrophobicContact CG1-CG 4.2Å
358L97.6Very high95.3Very high82 Ų8262.4 Ų62.443%0.42933%0.331SS..BIsolated β-bridgetrans-82.4141.1178.1-61.1175.7000110.8P83 M84 V85P83-L358 PolarHBondContact O-N 2.87Å; M84-L358 HydrophobicContact CB-CB 4.49Å; M84-L358 HydrophobicContact CG-CB 3.95Å; M84-L358 HydrophobicContact CG-CD1 3.77Å; M84-L358 HydrophobicContact CG-CG 4.39Å; M84-L358 HydrophobicContact SD-CD1 4.37Å; V85-L358 WeakPolarHBondContact CG2-O 3.48Å; V85-L358 PolarHBondContact N-O 3.46Å
359G96.8Very high95.4Very high32 Ų3259.9 Ų59.933%0.3332%0.318SS..THydrogen-bonded Turntrans103.57.7179.800000115
360L97.8Very high95.4Very high16 Ų1660.6 Ų60.68%0.08432%0.318CS..  trans-96.3130178.3-55.7-178000112.1F69 V85 H345 F346 L354 V357 P411F69-L360 HydrophobicContact CD1-CD2 4.08Å; F69-L360 HydrophobicContact CE1-CD2 3.57Å; F69-L360 HydrophobicContact CZ-CD2 4.07Å; V85-L360 HydrophobicContact CG2-CD2 3.99Å; H345-L360 WeakPolarHBondContact ND1-CA 3.29Å; F346-L360 HydrophobicContact CD2-CD1 3.45Å; F346-L360 VanDerWaalsContact CD2-CD1 3.45Å; F346-L360 HydrophobicContact CE2-CD1 3.54Å; L354-L360 HydrophobicContact CD2-CB 4Å; L354-L360 HydrophobicContact CD2-CD1 4.25Å; V357-L360 HydrophobicContact CB-CD1 3.93Å; V357-L360 HydrophobicContact CB-CG 4.4Å; V357-L360 HydrophobicContact CG1-CD1 4.12Å; V357-L360 HydrophobicContact CG1-CG 4.16Å; L360-P411 HydrophobicContact CD1-CG 4.44Å; L360-P411 HydrophobicContact CD2-CG 4.18Å
361H96.6Very high95.4Very high137 Ų13757.7 Ų57.763%0.63430%0.303SS*.  trans-134.377.4-178.1-59.6-61.1000111.5H345 H367H345-H361 PolarHBondContact ND1-N 3.27Å; H361-H367 PolarHBondContact O-CE1 3.48Å
362P96.8Very high95.5Very high43 Ų4353.6 Ų53.628%0.27928%0.276SS..  trans-69.1137.4-178.826.8-32.9000112.2H345 F347 L354H345-P362 HydrophobicContact CB-CB 4.02Å; H345-P362 WeakPolarHBondContact O-CB 3.41Å; F347-P362 HydrophobicContact CB-CB 3.98Å; F347-P362 HydrophobicContact CD2-CB 4.3Å; L354-P362 HydrophobicContact CD1-CG 3.92Å; L354-P362 HydrophobicContact CD2-CG 4.07Å
363T96.1Very high95.6Very high56 Ų5651.5 Ų51.534%0.34426%0.263SS..  trans-146.3145.5179.461.70000109.6E365 E366 H367T363-E365 VanDerWaalsContact C-N 3.33Å; T363-E365 PolarHBondContact O-N 3.47Å; T363-E366 WeakPolarHBondContact OG1-CB 3.45Å; T363-E366 PolarHBondContact OG1-OE2 2.95Å; T363-H367 PolarHBondContact N-ND1 3.22Å; T363-H367 WeakPolarHBondContact O-CB 3.34Å; T363-H367 PolarHBondContact O-N 3.27Å; T363-H367 PolarHBondContact O-ND1 3.46Å; T363-H367 PolarHBondContact OG1-ND1 3.01Å; T363-H367 VanDerWaalsContact OG1-ND1 3.11Å
364E93.4Very high95.6Very high119 Ų11951.5 Ų51.556%0.55626%0.263SS*.Hα-helixtrans-65.5-37.3-178.6-176179.4175.300112.2Q287 F347 G368Q287-E364 PolarHBondContact NE2-OE1 3.23Å; Q287-E364 VanDerWaalsContact NE2-OE1 3.14Å; F347-E364 HydrophobicContact CE2-CB 3.96Å; F347-E364 HydrophobicContact CZ-CB 3.79Å; F347-E364 HydrophobicContact CZ-CG 3.96Å; E364-G368 VanDerWaalsContact O-CA 3.27Å; E364-G368 WeakPolarHBondContact O-CA 3.41Å; E364-G368 PolarHBondContact O-N 2.66Å
365E93.3Very high95.5Very high173 Ų17349.8 Ų49.881%0.80826%0.255SS*.Hα-helixtrans-66.8-46.7-176-174.8169.8-16900112.4T363 R386T363-E365 VanDerWaalsContact C-N 3.33Å; T363-E365 PolarHBondContact O-N 3.47Å; E365-R386 PolarHBondContact O-NH1 3.2Å
366E94.3Very high95.5Very high114 Ų11447.2 Ų47.253%0.53324%0.241SC..Hα-helixtrans-86.6-27.9-176.4-57.7177.5142.500112.5T363 R386T363-E366 WeakPolarHBondContact OG1-CB 3.45Å; T363-E366 PolarHBondContact OG1-OE2 2.95Å; E366-R386 VanDerWaalsContact C-NH1 3.31Å; E366-R386 VanDerWaalsContact O-CD 3.3Å; E366-R386 WeakPolarHBondContact O-CD 3.49Å; E366-R386 PolarHBondContact O-NE 2.98Å; E366-R386 PolarHBondContact O-NH1 3.03Å; E366-R386 VanDerWaalsContact O-NH1 3.16Å
367H96.6Very high95.4Very high3 Ų343.2 Ų43.21%0.01423%0.226CC..Hα-helixtrans-118.6-7.5-168-49.9107.9000114P344 H345 F347 H361 T363P344-H367 HydrophobicContact CB-CB 3.89Å; P344-H367 WeakPolarHBondContact CB-CD2 3.45Å; P344-H367 HydrophobicContact CG-CB 4.34Å; H345-H367 AromaticContact CD2-CD2 3.59Å; H345-H367 AromaticContact CD2-CE1 3.82Å; H345-H367 AromaticContact CD2-NE2 3.08Å; H345-H367 PolarHBondContact CD2-NE2 2.84Å; H345-H367 AromaticContact CG-NE2 3.72Å; H345-H367 AromaticContact NE2-NE2 3.74Å; F347-H367 HydrophobicContact CB-CB 3.79Å; F347-H367 HydrophobicContact CG-CB 4.13Å; H361-H367 PolarHBondContact O-CE1 3.48Å; T363-H367 PolarHBondContact N-ND1 3.22Å; T363-H367 WeakPolarHBondContact O-CB 3.34Å; T363-H367 PolarHBondContact O-N 3.27Å; T363-H367 PolarHBondContact O-ND1 3.46Å; T363-H367 PolarHBondContact OG1-ND1 3.01Å; T363-H367 VanDerWaalsContact OG1-ND1 3.11Å
368G95.2Very high95.2Very high9 Ų943.1 Ų43.19%0.09323%0.226CC..  trans-72.5132.717500000112.3E364 R386E364-G368 VanDerWaalsContact O-CA 3.27Å; E364-G368 WeakPolarHBondContact O-CA 3.41Å; E364-G368 PolarHBondContact O-N 2.66Å; G368-R386 PolarHBondContact O-NH1 3.36Å
369L94.6Very high94.9Very high4 Ų440.9 Ų40.92%0.02122%0.216CC..  trans-84.6132.4172.9178.8158.6000110L284 V301 A302 I385L284-L369 HydrophobicContact CD1-CD2 3.82Å; L284-L369 HydrophobicContact CD2-CD2 3.38Å; L284-L369 HydrophobicContact CG-CD2 4.26Å; V301-L369 WeakPolarHBondContact CA-O 3.1Å; A302-L369 HydrophobicContact CB-CB 4.11Å; A302-L369 HydrophobicContact CB-CD2 4.24Å; A302-L369 PolarHBondContact N-O 2.87Å; L369-I385 HydrophobicContact CD1-CB 4.4Å; L369-I385 HydrophobicContact CD1-CG2 3.94Å
370F95.6Very high94.7Very high30 Ų3040.2 Ų40.213%0.13221%0.205CC..EExtended strand (participates in β ladder)trans-145.2156.5175.172.2-90.2000114.5R299 F300 V301 S384R299-F370 HydrophobicContact CG-CB 4.31Å; F300-F370 CarbonylContact O-C 3.57Å; F300-F370 WeakPolarHBondContact O-CA 3.1Å; F300-F370 WeakPolarHBondContact O-CB 3.44Å; V301-F370 HydrophobicContact CG1-CB 4.07Å; F370-S384 VanDerWaalsContact CE1-CB 3.48Å; F370-S384 PolarHBondContact N-O 3.23Å; F370-S384 PolarHBondContact O-N 2.84Å
371I95.9Very high94.5Very high1 Ų139.6 Ų39.61%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-131.8119.7169-61.9-172.2000107.9W261 L284 F300 I373 P380 V383W261-I371 HydrophobicContact CH2-CD1 3.48Å; W261-I371 VanDerWaalsContact CH2-CD1 3.48Å; W261-I371 HydrophobicContact CZ2-CD1 4.09Å; W261-I371 HydrophobicContact CZ3-CD1 4.21Å; W261-I371 HydrophobicContact CZ3-CG2 4.49Å; L284-I371 HydrophobicContact CD1-CB 4.04Å; L284-I371 HydrophobicContact CD1-CD1 3.52Å; L284-I371 HydrophobicContact CD1-CG1 3.59Å; F300-I371 PolarHBondContact N-O 2.92Å; F300-I371 PolarHBondContact O-N 2.97Å; I371-I373 HydrophobicContact CG2-CB 4.42Å; I371-P380 HydrophobicContact CG2-CB 4.22Å; I371-V383 HydrophobicContact CG1-CG1 4.23Å; I371-V383 HydrophobicContact CG2-CG2 4.27Å
372D96.3Very high94.3Very high3 Ų334.7 Ų34.72%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-91.5118.5168.5-66.6-30.5000108.9L297 Y298 R299 P380 L381 N382L297-D372 HydrophobicContact CD1-CB 3.93Å; L297-D372 HydrophobicContact CD2-CB 4.06Å; L297-D372 HydrophobicContact CG-CB 4.41Å; Y298-D372 WeakPolarHBondContact O-CA 3.4Å; R299-D372 VanDerWaalsContact CB-OD1 3.29Å; R299-D372 WeakPolarHBondContact CB-OD1 3.13Å; R299-D372 WeakPolarHBondContact CG-OD1 3.23Å; R299-D372 IonicContact CZ-OD1 3.72Å; R299-D372 IonicContact CZ-OD2 3.28Å; R299-D372 IonicContact NE-OD1 3.8Å; R299-D372 PolarHBondContact NE-OD1 3.33Å; R299-D372 IonicContact NE-OD2 2.72Å; R299-D372 IonicContact NH2-OD1 2.72Å; R299-D372 PolarHBondContact NH2-OD1 3.45Å; R299-D372 IonicContact NH2-OD2 2.76Å; R299-D372 PolarHBondContact NH2-OD2 2.89Å; D372-P380 CarbonylContact O-C 3.5Å; D372-P380 WeakPolarHBondContact O-CA 3.46Å; D372-L381 PolarHBondContact O-N 2.9Å; D372-N382 HydrophobicContact CB-CB 4.05Å; D372-N382 WeakPolarHBondContact CB-O 3.38Å; D372-N382 PolarHBondContact N-O 2.92Å; D372-N382 PolarHBondContact O-N 2.93Å
373I95.3Very high94.1Very high0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-124.7140.1-173.3-162.1155000111.4W261 M265 L271 L297 Y298 F300 I371 P375 G378 P380W261-I373 HydrophobicContact CB-CD1 3.98Å; W261-I373 HydrophobicContact CD2-CD1 4.02Å; W261-I373 HydrophobicContact CE3-CD1 3.63Å; W261-I373 HydrophobicContact CG-CD1 4.2Å; W261-I373 HydrophobicContact CZ3-CD1 4.48Å; M265-I373 HydrophobicContact CE-CD1 3.52Å; M265-I373 HydrophobicContact CE-CG1 4.23Å; M265-I373 HydrophobicContact SD-CD1 3.98Å; M265-I373 HydrophobicContact SD-CG1 4.17Å; M265-I373 HydrophobicContact SD-CG2 3.69Å; L271-I373 HydrophobicContact CD1-CD1 4.31Å; L297-I373 CarbonylContact C-O 3.56Å; L297-I373 VanDerWaalsContact CA-O 3.31Å; L297-I373 WeakPolarHBondContact CA-O 3.35Å; Y298-I373 PolarHBondContact N-O 2.94Å; Y298-I373 PolarHBondContact O-N 3.27Å; F300-I373 HydrophobicContact CD2-CG2 3.59Å; F300-I373 HydrophobicContact CE2-CG2 3.41Å; F300-I373 VanDerWaalsContact CE2-CG2 3.41Å; I371-I373 HydrophobicContact CG2-CB 4.42Å; I373-P375 WeakPolarHBondContact O-CD 3.22Å; I373-G378 WeakPolarHBondContact CD1-O 3.24Å; I373-P380 HydrophobicContact CD1-CG 4.41Å
374H95Very high94Very high5 Ų530.9 Ų30.92%0.02316%0.157CC..EExtended strand (participates in β ladder)trans-75.5115.7172.9-177.7-106000109.5I295 P296 L376 T377 G378 V379 L381 F429I295-H374 VanDerWaalsContact CG2-CD2 3.48Å; I295-H374 WeakPolarHBondContact CG2-CD2 3.46Å; P296-H374 PolarHBondContact O-CD2 3.31Å; H374-L376 VanDerWaalsContact C-N 3.34Å; H374-L376 PolarHBondContact O-N 2.93Å; H374-T377 PolarHBondContact ND1-N 3.43Å; H374-T377 PolarHBondContact ND1-OG1 2.86Å; H374-T377 PolarHBondContact O-N 3.44Å; H374-G378 PolarHBondContact O-N 3.45Å; H374-V379 PolarHBondContact N-O 2.82Å; H374-L381 HydrophobicContact CB-CD1 4.28Å; H374-L381 HydrophobicContact CB-CD2 4.19Å; H374-L381 HydrophobicContact CB-CG 4.28Å; H374-F429 HydrophobicContact CB-CE1 3.95Å; H374-F429 HydrophobicContact CB-CZ 3.94Å; H374-F429 AromaticContact CG-CE1 3.87Å
375P94.4Very high94Very high18 Ų1826.7 Ų26.712%0.11714%0.138CC..THydrogen-bonded Turntrans-67.3-32.5-166.125.3-35000113.6F264 M265 P296 Y298 I373F264-P375 PolarHBondContact N-O 3.42Å; M265-P375 HydrophobicContact CB-CB 4.24Å; M265-P375 PolarHBondContact N-O 3.11Å; P296-P375 WeakPolarHBondContact O-CD 3.39Å; Y298-P375 HydrophobicContact CD1-CB 4.5Å; Y298-P375 HydrophobicContact CD1-CG 4.43Å; Y298-P375 HydrophobicContact CD2-CB 3.7Å; Y298-P375 HydrophobicContact CD2-CG 4.47Å; Y298-P375 HydrophobicContact CE1-CB 4.39Å; Y298-P375 HydrophobicContact CE1-CG 4.28Å; Y298-P375 HydrophobicContact CE2-CB 3.55Å; Y298-P375 HydrophobicContact CE2-CG 4.31Å; Y298-P375 HydrophobicContact CG-CB 4.17Å; I373-P375 WeakPolarHBondContact O-CD 3.22Å
376L93Very high94.1Very high49 Ų4919.7 Ų19.726%0.25710%0.104SC..THydrogen-bonded Turntrans-72.8-36.3-178.5-177.463.6000111.7I34 V38 P263 F264 H374I34-L376 HydrophobicContact CG2-CD2 4.06Å; V38-L376 HydrophobicContact CG1-CG 4.45Å; V38-L376 WeakPolarHBondContact CG1-O 3.1Å; V38-L376 HydrophobicContact CG2-CD1 4.41Å; V38-L376 HydrophobicContact CG2-CD2 3.87Å; V38-L376 HydrophobicContact CG2-CG 3.83Å; P263-L376 WeakPolarHBondContact CA-O 3.39Å; P263-L376 WeakPolarHBondContact CB-O 3.27Å; F264-L376 HydrophobicContact CD1-CD1 3.62Å; F264-L376 HydrophobicContact CE1-CD1 3.59Å; F264-L376 PolarHBondContact N-O 3.21Å; F264-L376 VanDerWaalsContact N-O 3.07Å; H374-L376 VanDerWaalsContact C-N 3.34Å; H374-L376 PolarHBondContact O-N 2.93Å
377T91.9Very high94.2Very high11 Ų1114.9 Ų14.97%0.0678%0.082CC..THydrogen-bonded Turntrans-105-19.1-173.458.80000114.6V38 H374 V379 L433V38-T377 HydrophobicContact CG1-CG2 4.3Å; V38-T377 HydrophobicContact CG2-CG2 4.47Å; H374-T377 PolarHBondContact ND1-N 3.43Å; H374-T377 PolarHBondContact ND1-OG1 2.86Å; H374-T377 PolarHBondContact O-N 3.44Å; T377-V379 VanDerWaalsContact C-N 3.27Å; T377-V379 PolarHBondContact O-N 2.73Å; T377-L433 HydrophobicContact CG2-CD1 3.79Å; T377-L433 HydrophobicContact CG2-CD2 3.69Å; T377-L433 HydrophobicContact CG2-CG 4.42Å
378G92Very high94.2Very high0 Ų014.7 Ų14.70%08%0.081CC..THydrogen-bonded Turntrans72.317.7-175.400000114.5W261 I373 H374W261-G378 PolarHBondContact N-O 3.42Å; W261-G378 VanDerWaalsContact N-O 3.08Å; W261-G378 WeakPolarHBondContact O-CA 3.39Å; I373-G378 WeakPolarHBondContact CD1-O 3.24Å; H374-G378 PolarHBondContact O-N 3.45Å
379V91.8Very high94.3Very high36 Ų3615.6 Ų15.622%0.2188%0.083CC..EExtended strand (participates in β ladder)trans-92.8124.6178.6178.50000110L260 H374 T377 I421 F429L260-V379 HydrophobicContact CD2-CB 4.43Å; L260-V379 HydrophobicContact CD2-CG1 4.27Å; L260-V379 HydrophobicContact CD2-CG2 4.17Å; H374-V379 PolarHBondContact N-O 2.82Å; T377-V379 VanDerWaalsContact C-N 3.27Å; T377-V379 PolarHBondContact O-N 2.73Å; V379-I421 HydrophobicContact CG1-CD1 4.26Å; V379-F429 HydrophobicContact CB-CE2 3.97Å; V379-F429 HydrophobicContact CB-CZ 3.96Å; V379-F429 HydrophobicContact CG1-CE2 4Å; V379-F429 HydrophobicContact CG1-CZ 4.27Å; V379-F429 HydrophobicContact CG2-CE2 4.17Å; V379-F429 HydrophobicContact CG2-CZ 4.48Å
380P92.7Very high94.4Very high17 Ų1715.4 Ų15.411%0.118%0.082CC..EExtended strand (participates in β ladder)trans-65.5134.6173.6-21.134.2000111.7Q259 W261 I371 D372 I373 V383 I421Q259-P380 WeakPolarHBondContact O-CD 3.24Å; Q259-P380 VanDerWaalsContact O-CG 3.28Å; Q259-P380 WeakPolarHBondContact O-CG 3.35Å; W261-P380 HydrophobicContact CE3-CG 3.85Å; W261-P380 HydrophobicContact CZ3-CG 3.53Å; I371-P380 HydrophobicContact CG2-CB 4.22Å; D372-P380 CarbonylContact O-C 3.5Å; D372-P380 WeakPolarHBondContact O-CA 3.46Å; I373-P380 HydrophobicContact CD1-CG 4.41Å; P380-V383 HydrophobicContact CB-CG2 3.52Å; P380-V383 HydrophobicContact CG-CG2 4.46Å; P380-I421 WeakPolarHBondContact O-CD1 3.25Å
381L92.7Very high94.4Very high3 Ų314 Ų142%0.0168%0.076CC..EExtended strand (participates in β ladder)trans-99.3-37.6177.9-55.1-178.7000111.8M292 I295 L297 D372 H374 Y420 I421 F429M292-L381 HydrophobicContact SD-CB 4.21Å; I295-L381 HydrophobicContact CB-CD1 4.23Å; I295-L381 HydrophobicContact CG2-CD1 3.61Å; I295-L381 HydrophobicContact CG2-CD2 4.47Å; L297-L381 HydrophobicContact CB-CD1 3.89Å; L297-L381 HydrophobicContact CD2-CD1 4.18Å; D372-L381 PolarHBondContact O-N 2.9Å; H374-L381 HydrophobicContact CB-CD1 4.28Å; H374-L381 HydrophobicContact CB-CD2 4.19Å; H374-L381 HydrophobicContact CB-CG 4.28Å; L381-Y420 WeakPolarHBondContact O-CA 3.48Å; L381-I421 HydrophobicContact CD2-CD1 3.63Å; L381-I421 PolarHBondContact O-N 2.99Å; L381-F429 HydrophobicContact CD2-CD1 4.03Å; L381-F429 HydrophobicContact CD2-CE1 3.53Å; L381-F429 HydrophobicContact CD2-CZ 4Å
382N92.6Very high94.5Very high34 Ų3414.7 Ų14.718%0.1828%0.079CC..EExtended strand (participates in β ladder)trans-148.6128.2-179.8-176.321.3000108.9M292 D372 G419M292-N382 HydrophobicContact CE-CB 3.61Å; M292-N382 HydrophobicContact SD-CB 4.17Å; D372-N382 HydrophobicContact CB-CB 4.05Å; D372-N382 WeakPolarHBondContact CB-O 3.38Å; D372-N382 PolarHBondContact N-O 2.92Å; D372-N382 PolarHBondContact O-N 2.93Å; N382-G419 CarbonylContact C-O 3.52Å; N382-G419 WeakPolarHBondContact CA-O 3.31Å
383V92.9Very high94.4Very high17 Ų1714.5 Ų14.510%0.1038%0.078CC..EExtended strand (participates in β ladder)trans-131134.9-172.1177.10000108I371 P380 I385 N418 G419I371-V383 HydrophobicContact CG1-CG1 4.23Å; I371-V383 HydrophobicContact CG2-CG2 4.27Å; P380-V383 HydrophobicContact CB-CG2 3.52Å; P380-V383 HydrophobicContact CG-CG2 4.46Å; V383-I385 HydrophobicContact CG1-CD1 4.06Å; V383-I385 HydrophobicContact CG1-CG1 3.8Å; V383-N418 WeakPolarHBondContact O-CA 3.46Å; V383-N418 WeakPolarHBondContact O-CB 3.19Å; V383-G419 PolarHBondContact N-O 3.32Å; V383-G419 PolarHBondContact O-N 3.48Å; V383-G419 VanDerWaalsContact O-N 3.1Å
384S94.1Very high94.5Very high3 Ų316.6 Ų16.62%0.0219%0.087CC..EExtended strand (participates in β ladder)trans-14198168.7176.90000108.8F370 R386 E416F370-S384 VanDerWaalsContact CE1-CB 3.48Å; F370-S384 PolarHBondContact N-O 3.23Å; F370-S384 PolarHBondContact O-N 2.84Å; S384-R386 VanDerWaalsContact OG-CZ 3.25Å; S384-R386 PolarHBondContact OG-NE 2.92Å; S384-R386 PolarHBondContact OG-NH2 2.89Å; S384-E416 PolarHBondContact OG-OE1 2.91Å
385I93.3Very high94.6Very high31 Ų3123.6 Ų23.616%0.15911%0.113CC..EExtended strand (participates in β ladder)trans-95.5114.9176.4-63.5176.6000107.9L369 V383 E416 E417L369-I385 HydrophobicContact CD1-CB 4.4Å; L369-I385 HydrophobicContact CD1-CG2 3.94Å; V383-I385 HydrophobicContact CG1-CD1 4.06Å; V383-I385 HydrophobicContact CG1-CG1 3.8Å; I385-E416 CarbonylContact O-C 3.56Å; I385-E416 VanDerWaalsContact O-CA 3.29Å; I385-E416 WeakPolarHBondContact O-CA 3.26Å; I385-E417 HydrophobicContact CB-CB 4.42Å; I385-E417 PolarHBondContact N-O 2.83Å; I385-E417 PolarHBondContact O-N 2.91Å
386R95.3Very high94.7Very high25 Ų2523.1 Ų23.19%0.09411%0.11CC..EExtended strand (participates in β ladder)trans-120.1122.4-174.9-57.8178.9-178.7151.9-10.3110.8P344 E365 E366 G368 S384 F415 E416P344-R386 HydrophobicContact CG-CB 3.73Å; E365-R386 PolarHBondContact O-NH1 3.2Å; E366-R386 VanDerWaalsContact C-NH1 3.31Å; E366-R386 VanDerWaalsContact O-CD 3.3Å; E366-R386 WeakPolarHBondContact O-CD 3.49Å; E366-R386 PolarHBondContact O-NE 2.98Å; E366-R386 PolarHBondContact O-NH1 3.03Å; E366-R386 VanDerWaalsContact O-NH1 3.16Å; G368-R386 PolarHBondContact O-NH1 3.36Å; S384-R386 VanDerWaalsContact OG-CZ 3.25Å; S384-R386 PolarHBondContact OG-NE 2.92Å; S384-R386 PolarHBondContact OG-NH2 2.89Å; R386-F415 WeakPolarHBondContact CA-O 3.48Å; R386-E416 HydrophobicContact CG-CB 4.11Å; R386-E416 HydrophobicContact CG-CG 3.98Å; R386-E416 IonicContact CZ-OE1 3.17Å; R386-E416 IonicContact NE-OE1 2.85Å; R386-E416 PolarHBondContact NE-OE1 3.47Å; R386-E416 IonicContact NH2-OE1 2.9Å; R386-E416 PolarHBondContact NH2-OE1 3.33Å
387L95.9Very high94.7Very high13 Ų1323.5 Ų23.57%0.06812%0.116CC..EExtended strand (participates in β ladder)trans-137.8149.4179.1-65.5176000110.4F307 I341 W414 F415F307-L387 HydrophobicContact CE2-CD2 4.25Å; F307-L387 HydrophobicContact CZ-CD2 4.02Å; I341-L387 HydrophobicContact CG2-CB 4.41Å; I341-L387 HydrophobicContact CG2-CD2 3.9Å; L387-W414 CarbonylContact O-C 3.55Å; L387-W414 VanDerWaalsContact O-CA 3.26Å; L387-W414 WeakPolarHBondContact O-CA 3.43Å; L387-W414 WeakPolarHBondContact O-CB 3.3Å; L387-F415 HydrophobicContact CB-CE1 4.11Å; L387-F415 HydrophobicContact CB-CE2 4.34Å; L387-F415 HydrophobicContact CB-CZ 3.86Å; L387-F415 HydrophobicContact CD1-CZ 4.25Å; L387-F415 PolarHBondContact N-O 3.16Å; L387-F415 PolarHBondContact O-N 3.12Å
388Q97.7Very high94.8Very high0 Ų023.3 Ų23.30%012%0.117CC..EExtended strand (participates in β ladder)trans-118.2136.9178-179.1169.8-71.500110.7F69 I341 S342 N390 L413 W414F69-Q388 HydrophobicContact CE2-CG 4.28Å; F69-Q388 VanDerWaalsContact CE2-OE1 3.23Å; I341-Q388 WeakPolarHBondContact CA-O 3.36Å; S342-Q388 PolarHBondContact N-O 3.01Å; S342-Q388 PolarHBondContact O-N 3.36Å; S342-Q388 WeakPolarHBondContact OG-CB 3.42Å; S342-Q388 PolarHBondContact OG-NE2 3.12Å; Q388-N390 WeakPolarHBondContact CG-OD1 3.28Å; Q388-N390 PolarHBondContact NE2-OD1 3.41Å; Q388-N390 PolarHBondContact O-ND2 3.47Å; Q388-L413 WeakPolarHBondContact CG-O 3.29Å; Q388-W414 HydrophobicContact CB-CB 3.74Å; Q388-W414 HydrophobicContact CG-CB 4Å
389L96.6Very high95Very high27 Ų2723.3 Ų23.314%0.14112%0.117CC..EExtended strand (participates in β ladder)trans-100.4128.8172.6-63.1-178.2000109.6F207 V339 I341 M412 L413 F415F207-L389 HydrophobicContact CE1-CD1 4.37Å; F207-L389 HydrophobicContact CZ-CD1 3.92Å; V339-L389 HydrophobicContact CG1-CD2 4.45Å; I341-L389 HydrophobicContact CG1-CD2 4.15Å; L389-M412 HydrophobicContact CB-CE 4.35Å; L389-M412 PolarHBondContact O-N 2.76Å; L389-L413 HydrophobicContact CB-CD1 4.38Å; L389-L413 HydrophobicContact CD1-CD1 4.14Å; L389-L413 HydrophobicContact CG-CD1 4.28Å; L389-L413 PolarHBondContact N-O 3.29Å; L389-F415 HydrophobicContact CG-CE1 4.31Å
390N97.3Very high95.1Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-128146.1-178.3-44.9-85000110.1V339 F340 S342 F346 Q388 V409 M410 P411V339-N390 WeakPolarHBondContact CA-O 3.38Å; F340-N390 HydrophobicContact CB-CB 4.24Å; F340-N390 PolarHBondContact N-O 2.91Å; F340-N390 PolarHBondContact O-N 3.45Å; F340-N390 PolarHBondContact O-ND2 3.15Å; S342-N390 PolarHBondContact OG-ND2 3.13Å; F346-N390 WeakPolarHBondContact CE1-OD1 3.33Å; F346-N390 WeakPolarHBondContact CZ-OD1 3.23Å; Q388-N390 WeakPolarHBondContact CG-OD1 3.28Å; Q388-N390 PolarHBondContact NE2-OD1 3.41Å; Q388-N390 PolarHBondContact O-ND2 3.47Å; N390-V409 HydrophobicContact CB-CG1 3.48Å; N390-V409 VanDerWaalsContact CB-CG1 3.48Å; N390-M410 CarbonylContact C-O 3.35Å; N390-M410 VanDerWaalsContact CA-O 3.25Å; N390-M410 WeakPolarHBondContact CA-O 3.33Å; N390-P411 WeakPolarHBondContact OD1-CA 3.49Å; N390-P411 WeakPolarHBondContact OD1-CB 3.35Å
391L96.6Very high95.2Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-107.5123.1174.1-175.967.4000109.4P136 M138 L141 P338 M393 M410 M412P136-L391 HydrophobicContact CB-CD2 3.82Å; M138-L391 HydrophobicContact CB-CD2 4.41Å; M138-L391 HydrophobicContact CG-CD1 4.08Å; L141-L391 HydrophobicContact CB-CD2 4.02Å; P338-L391 HydrophobicContact CG-CD1 4.04Å; L391-M393 PolarHBondContact O-N 3.17Å; L391-M410 PolarHBondContact N-O 3.33Å; L391-M410 PolarHBondContact O-N 2.66Å; L391-M412 HydrophobicContact CB-CE 4.15Å; L391-M412 HydrophobicContact CB-CG 4.2Å; L391-M412 HydrophobicContact CB-SD 3.84Å
392Y96.4Very high95.3Very high16 Ų1625.9 Ų25.96%0.06313%0.127CC..EExtended strand (participates in β ladder)trans-79.4121.7169.8171.4-99.7000109.9V145 R323 P338 F340 K394 E407 V409V145-Y392 HydrophobicContact CG1-CD1 3.96Å; V145-Y392 HydrophobicContact CG1-CE1 3.93Å; V145-Y392 HydrophobicContact CG2-CD1 4.45Å; V145-Y392 HydrophobicContact CG2-CE1 4.5Å; R323-Y392 VanDerWaalsContact NH2-CE2 3.35Å; R323-Y392 PolarHBondContact NH2-OH 3.34Å; P338-Y392 HydrophobicContact CB-CD1 4.27Å; P338-Y392 PolarHBondContact O-N 3.18Å; F340-Y392 VanDerWaalsContact CE2-CB 3.44Å; F340-Y392 HydrophobicContact CE2-CG 4.11Å; Y392-K394 HydrophobicContact CE1-CD 4.41Å; Y392-K394 HydrophobicContact CE1-CG 4.47Å; Y392-K394 WeakPolarHBondContact OH-CD 3.39Å; Y392-E407 HydrophobicContact CE2-CG 3.54Å; Y392-E407 WeakPolarHBondContact OH-CG 3.19Å; Y392-E407 PolarHBondContact OH-OE1 2.91Å; Y392-V409 HydrophobicContact CD2-CG2 3.93Å
393M95.8Very high95.5Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-134.5144-176.463.8-173.1-162.600111I77 P83 P136 L141 L391 I405 V408 M410I77-M393 HydrophobicContact CG2-CE 4.26Å; P83-M393 HydrophobicContact CG-CE 4.37Å; P136-M393 HydrophobicContact CB-SD 4.31Å; P136-M393 HydrophobicContact CG-SD 4.44Å; L141-M393 HydrophobicContact CB-CB 4.39Å; L141-M393 HydrophobicContact CD1-CB 4.42Å; L141-M393 HydrophobicContact CD1-SD 3.74Å; L391-M393 PolarHBondContact O-N 3.17Å; M393-I405 HydrophobicContact CE-CG2 4.32Å; M393-I405 HydrophobicContact CG-CG2 4.16Å; M393-V408 HydrophobicContact CE-CG1 3.44Å; M393-V408 VanDerWaalsContact CE-CG1 3.44Å; M393-V408 HydrophobicContact CG-CG1 3.6Å; M393-V408 PolarHBondContact N-O 3.46Å; M393-V408 PolarHBondContact O-N 3.3Å; M393-V408 HydrophobicContact SD-CG1 4.34Å; M393-M410 HydrophobicContact CE-CB 3.64Å; M393-M410 HydrophobicContact CE-CG 3.61Å; M393-M410 HydrophobicContact CE-SD 3.87Å; M393-M410 HydrophobicContact CG-CB 4.25Å; M393-M410 HydrophobicContact SD-CB 3.76Å; M393-M410 HydrophobicContact SD-CG 4.07Å
394K96.3Very high95.6Very high43 Ų4331.4 Ų31.419%0.18716%0.155CC..  trans-153.3164.8176.562.4171.2172.5-176.40110.4V145 E148 Y392 I396 E407V145-K394 HydrophobicContact CG2-CG 4.18Å; E148-K394 IonicContact OE1-NZ 3.56Å; E148-K394 PolarHBondContact OE1-NZ 2.91Å; E148-K394 WeakPolarHBondContact OE2-CE 3.38Å; E148-K394 IonicContact OE2-NZ 3.47Å; E148-K394 PolarHBondContact OE2-NZ 3.4Å; Y392-K394 HydrophobicContact CE1-CD 4.41Å; Y392-K394 HydrophobicContact CE1-CG 4.47Å; Y392-K394 WeakPolarHBondContact OH-CD 3.39Å; K394-I396 HydrophobicContact CD-CD1 4.14Å; K394-I396 HydrophobicContact CG-CD1 3.85Å; K394-I396 PolarHBondContact O-N 3.43Å; K394-E407 HydrophobicContact CB-CB 4.12Å; K394-E407 HydrophobicContact CB-CG 4.27Å
395R96.7Very high95.7Very high152 Ų15231.5 Ų31.557%0.57416%0.155SC*.  trans-62.4130.5169.4177.7-178.9-176.2-120.2-3.9111.8G403 I405R395-G403 WeakPolarHBondContact CG-O 3.4Å; R395-G403 PolarHBondContact NE-O 2.94Å; R395-I405 WeakPolarHBondContact CB-O 3.45Å; R395-I405 PolarHBondContact N-O 2.96Å
396I96.4Very high95.8Very high8 Ų833 Ų334%0.04117%0.169CC..  trans-121.9119.9173.8-55.3-62.2000109.6A144 E148 K394 G398 I399 T402A144-I396 HydrophobicContact CB-CG1 4.17Å; E148-I396 HydrophobicContact CB-CD1 3.77Å; E148-I396 HydrophobicContact CB-CG2 4.37Å; K394-I396 HydrophobicContact CD-CD1 4.14Å; K394-I396 HydrophobicContact CG-CD1 3.85Å; K394-I396 PolarHBondContact O-N 3.43Å; I396-G398 PolarHBondContact O-N 2.89Å; I396-I399 HydrophobicContact CB-CB 4.42Å; I396-I399 HydrophobicContact CB-CD1 4.45Å; I396-I399 HydrophobicContact CG2-CB 4.49Å; I396-I399 HydrophobicContact CG2-CD1 3.97Å; I396-I399 HydrophobicContact CG2-CG1 4.18Å; I396-I399 PolarHBondContact O-N 3.46Å; I396-T402 HydrophobicContact CB-CG2 4.2Å; I396-T402 HydrophobicContact CG1-CG2 4.28Å; I396-T402 PolarHBondContact N-OG1 2.9Å; I396-T402 PolarHBondContact O-OG1 3.07Å
397S94.6Very high95.8Very high57 Ų5736.2 Ų36.240%0.39919%0.185SC..THydrogen-bonded Turntrans-59.6138.7177-1660000110.9R155 I399R155-S397 PolarHBondContact NH1-O 3.29Å; S397-I399 PolarHBondContact O-N 2.97Å
398G93.1Very high95.7Very high7 Ų736 Ų367%0.07218%0.184CC..THydrogen-bonded Turntrans80.5-7-177.800000115.3R155 L156 S159 I396R155-G398 CarbonylContact C-O 3.57Å; L156-G398 WeakPolarHBondContact CA-O 3.21Å; L156-G398 PolarHBondContact N-O 3.01Å; S159-G398 WeakPolarHBondContact CB-O 3.18Å; I396-G398 PolarHBondContact O-N 2.89Å
399I95.4Very high95.7Very high1 Ų136.5 Ų36.51%0.00519%0.187CC..  trans-113.596.1169.2-55.6-179.5000108.2A144 R155 F162 I396 S397 E401 T402A144-I399 HydrophobicContact CB-CD1 3.73Å; A144-I399 HydrophobicContact CB-CG2 4.12Å; R155-I399 HydrophobicContact CB-CG1 4.04Å; R155-I399 HydrophobicContact CG-CD1 4.46Å; R155-I399 HydrophobicContact CG-CG1 4.44Å; F162-I399 HydrophobicContact CD2-CG2 4.34Å; F162-I399 HydrophobicContact CE2-CG2 4.27Å; I396-I399 HydrophobicContact CB-CB 4.42Å; I396-I399 HydrophobicContact CB-CD1 4.45Å; I396-I399 HydrophobicContact CG2-CB 4.49Å; I396-I399 HydrophobicContact CG2-CD1 3.97Å; I396-I399 HydrophobicContact CG2-CG1 4.18Å; I396-I399 PolarHBondContact O-N 3.46Å; S397-I399 PolarHBondContact O-N 2.97Å; I399-E401 HydrophobicContact CG2-CB 4.36Å; I399-E401 VanDerWaalsContact CG2-OE2 3.28Å; I399-E401 WeakPolarHBondContact CG2-OE2 3.33Å; I399-E401 PolarHBondContact O-N 3.15Å; I399-T402 HydrophobicContact CB-CG2 4.26Å; I399-T402 HydrophobicContact CG2-CG2 4Å; I399-T402 PolarHBondContact O-N 2.92Å; I399-T402 VanDerWaalsContact O-N 3.16Å; I399-T402 PolarHBondContact O-OG1 3.4Å
400I94.3Very high95.7Very high93 Ų9335.2 Ų35.248%0.47718%0.18SC..G310 helixtrans-68.5-24.2-169.567.7-141.6000112.8S159 M163 T402 G403S159-I400 WeakPolarHBondContact OG-CD1 3.14Å; S159-I400 WeakPolarHBondContact OG-CG1 3.39Å; S159-I400 PolarHBondContact OG-N 3.27Å; M163-I400 HydrophobicContact CE-CD1 3.07Å; M163-I400 HydrophobicContact CE-CG1 3.53Å; M163-I400 HydrophobicContact CG-CD1 4.17Å; M163-I400 HydrophobicContact SD-CD1 3.48Å; M163-I400 WeakPolarHBondContact SD-CD1 3.28Å; M163-I400 HydrophobicContact SD-CG1 4.45Å; I400-T402 PolarHBondContact O-N 2.86Å; I400-G403 PolarHBondContact O-N 3.39Å
401E95.3Very high95.8Very high15 Ų1535.2 Ų35.27%0.0718%0.18CC..G310 helixtrans-58.8-28.7174.9-65.772.2-16000111.7L78 V140 S159 F162 M163 P169 I399 G403L78-E401 VanDerWaalsContact CD2-O 3.3Å; L78-E401 WeakPolarHBondContact CD2-O 3.25Å; V140-E401 HydrophobicContact CG1-CB 3.66Å; V140-E401 HydrophobicContact CG1-CG 3.98Å; S159-E401 WeakPolarHBondContact CB-OE2 3.41Å; S159-E401 VanDerWaalsContact O-OE1 3.04Å; S159-E401 PolarHBondContact OG-OE1 3.48Å; S159-E401 PolarHBondContact OG-OE2 3.15Å; F162-E401 HydrophobicContact CB-CG 4.08Å; F162-E401 HydrophobicContact CD2-CG 4.3Å; M163-E401 WeakPolarHBondContact CG-OE1 3.38Å; P169-E401 VanDerWaalsContact CB-O 3.29Å; P169-E401 WeakPolarHBondContact CB-O 3.32Å; P169-E401 WeakPolarHBondContact CG-O 3.36Å; I399-E401 HydrophobicContact CG2-CB 4.36Å; I399-E401 VanDerWaalsContact CG2-OE2 3.28Å; I399-E401 WeakPolarHBondContact CG2-OE2 3.33Å; I399-E401 PolarHBondContact O-N 3.15Å; E401-G403 PolarHBondContact O-N 3.01Å
402T95.6Very high95.8Very high1 Ų135.3 Ų35.31%0.00618%0.181CC..G310 helixtrans-76.7-9.2177.768.70000113.7L141 A144 I396 I399 I400 K404 I405L141-T402 HydrophobicContact CD2-CG2 4.26Å; A144-T402 HydrophobicContact CB-CG2 3.59Å; I396-T402 HydrophobicContact CB-CG2 4.2Å; I396-T402 HydrophobicContact CG1-CG2 4.28Å; I396-T402 PolarHBondContact N-OG1 2.9Å; I396-T402 PolarHBondContact O-OG1 3.07Å; I399-T402 HydrophobicContact CB-CG2 4.26Å; I399-T402 HydrophobicContact CG2-CG2 4Å; I399-T402 PolarHBondContact O-N 2.92Å; I399-T402 VanDerWaalsContact O-N 3.16Å; I399-T402 PolarHBondContact O-OG1 3.4Å; I400-T402 PolarHBondContact O-N 2.86Å; T402-K404 PolarHBondContact O-N 3.03Å; T402-I405 WeakPolarHBondContact O-CB 3.16Å; T402-I405 WeakPolarHBondContact O-CD1 3.27Å; T402-I405 WeakPolarHBondContact O-CG1 3.26Å; T402-I405 PolarHBondContact O-N 3.4Å; T402-I405 VanDerWaalsContact O-N 3.12Å
403G95Very high95.9Very high26 Ų2634.5 Ų34.527%0.26818%0.178SC..THydrogen-bonded Turntrans48.7-123.6176.700000114R395 I400 E401R395-G403 WeakPolarHBondContact CG-O 3.4Å; R395-G403 PolarHBondContact NE-O 2.94Å; I400-G403 PolarHBondContact O-N 3.39Å; E401-G403 PolarHBondContact O-N 3.01Å
404K96.7Very high96Very high142 Ų14235 Ų3562%0.61718%0.179SC*.THydrogen-bonded Turntrans-117.628.5174.2-61.9-177.8-178.2177.10111.9L78 G80 T402 S406L78-K404 PolarHBondContact O-N 3.23Å; G80-K404 WeakPolarHBondContact CA-O 3.28Å; T402-K404 PolarHBondContact O-N 3.03Å; K404-S406 PolarHBondContact O-N 3.19Å
405I96.1Very high96Very high4 Ų434 Ų342%0.02118%0.175CC..PPolyproline II helixtrans-53.6126.3180-66.8173.4000110.1I77 L78 L141 M393 R395 T402I77-I405 HydrophobicContact CG2-CG1 4Å; I77-I405 HydrophobicContact CG2-CG2 4.5Å; L78-I405 HydrophobicContact CD2-CD1 3.72Å; L78-I405 HydrophobicContact CD2-CG1 3.95Å; L141-I405 HydrophobicContact CD1-CD1 4.48Å; L141-I405 HydrophobicContact CD2-CD1 3.85Å; M393-I405 HydrophobicContact CE-CG2 4.32Å; M393-I405 HydrophobicContact CG-CG2 4.16Å; R395-I405 WeakPolarHBondContact CB-O 3.45Å; R395-I405 PolarHBondContact N-O 2.96Å; T402-I405 WeakPolarHBondContact O-CB 3.16Å; T402-I405 WeakPolarHBondContact O-CD1 3.27Å; T402-I405 WeakPolarHBondContact O-CG1 3.26Å; T402-I405 PolarHBondContact O-N 3.4Å; T402-I405 VanDerWaalsContact O-N 3.12Å
406S94.3Very high95.9Very high64 Ų6427.7 Ų27.745%0.44815%0.153SC..PPolyproline II helixtrans-67.6148.6170.7-66.40000110.4G80 K404 V408G80-S406 PolarHBondContact O-OG 3.46Å; K404-S406 PolarHBondContact O-N 3.19Å; S406-V408 WeakPolarHBondContact O-CG1 3.26Å; S406-V408 PolarHBondContact O-N 3.45Å
407E95.2Very high95.8Very high91 Ų9129 Ų2943%0.42516%0.159SC..SBendtrans-62118.4176-176.4176.916900110.5R323 Y392 K394R323-E407 IonicContact CZ-OE1 2.73Å; R323-E407 IonicContact NH1-OE1 3.34Å; R323-E407 PolarHBondContact NH1-OE1 3.02Å; R323-E407 IonicContact NH2-OE1 2.75Å; R323-E407 PolarHBondContact NH2-OE1 2.95Å; Y392-E407 HydrophobicContact CE2-CG 3.54Å; Y392-E407 WeakPolarHBondContact OH-CG 3.19Å; Y392-E407 PolarHBondContact OH-OE1 2.91Å; K394-E407 HydrophobicContact CB-CB 4.12Å; K394-E407 HydrophobicContact CB-CG 4.27Å
408V95.4Very high95.7Very high8 Ų827.6 Ų27.65%0.04815%0.146CC..EExtended strand (participates in β ladder)trans-151.8146.7-174.564.10000111.8V357 M393 S406V357-V408 HydrophobicContact CG2-CG2 3.78Å; M393-V408 HydrophobicContact CE-CG1 3.44Å; M393-V408 VanDerWaalsContact CE-CG1 3.44Å; M393-V408 HydrophobicContact CG-CG1 3.6Å; M393-V408 PolarHBondContact N-O 3.46Å; M393-V408 PolarHBondContact O-N 3.3Å; M393-V408 HydrophobicContact SD-CG1 4.34Å; S406-V408 WeakPolarHBondContact O-CG1 3.26Å; S406-V408 PolarHBondContact O-N 3.45Å
409V96.8Very high95.5Very high11 Ų1127.5 Ų27.57%0.06715%0.145CC..EExtended strand (participates in β ladder)trans-93.896.9166.61780000107.1L327 F340 F346 N390 Y392L327-V409 HydrophobicContact CD1-CB 4.29Å; L327-V409 HydrophobicContact CD1-CG1 4.17Å; L327-V409 HydrophobicContact CD1-CG2 3.89Å; L327-V409 HydrophobicContact CD2-CG1 4.11Å; F340-V409 HydrophobicContact CB-CG1 4.24Å; F340-V409 HydrophobicContact CG-CG1 4.49Å; F346-V409 HydrophobicContact CE1-CG1 4.44Å; F346-V409 HydrophobicContact CZ-CG1 4.37Å; N390-V409 HydrophobicContact CB-CG1 3.48Å; N390-V409 VanDerWaalsContact CB-CG1 3.48Å; Y392-V409 HydrophobicContact CD2-CG2 3.93Å
410M97.3Very high95.1Very high0 Ų031.7 Ų31.70%016%0.162CC..EExtended strand (participates in β ladder)trans-87120.2-171.1-171.263.8-174.500110.9V71 P83 V85 P136 V357 N390 L391 M393V71-M410 HydrophobicContact CG2-CE 3.69Å; P83-M410 HydrophobicContact CB-CE 3.79Å; P83-M410 HydrophobicContact CB-SD 3.57Å; P83-M410 VanDerWaalsContact CB-SD 3.57Å; P83-M410 HydrophobicContact CG-SD 3.86Å; V85-M410 HydrophobicContact CG1-CE 3.33Å; P136-M410 HydrophobicContact CG-CB 4.17Å; P136-M410 HydrophobicContact CG-CE 4.44Å; P136-M410 HydrophobicContact CG-CG 3.38Å; V357-M410 HydrophobicContact CG2-SD 4.18Å; N390-M410 CarbonylContact C-O 3.35Å; N390-M410 VanDerWaalsContact CA-O 3.25Å; N390-M410 WeakPolarHBondContact CA-O 3.33Å; L391-M410 PolarHBondContact N-O 3.33Å; L391-M410 PolarHBondContact O-N 2.66Å; M393-M410 HydrophobicContact CE-CB 3.64Å; M393-M410 HydrophobicContact CE-CG 3.61Å; M393-M410 HydrophobicContact CE-SD 3.87Å; M393-M410 HydrophobicContact CG-CB 4.25Å; M393-M410 HydrophobicContact SD-CB 3.76Å; M393-M410 HydrophobicContact SD-CG 4.07Å
411P97.7Very high94.7Very high0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-70.2135.4176.732.8-36.8000110.1F69 F346 V357 L360 N390F69-P411 HydrophobicContact CD2-CB 3.56Å; F69-P411 HydrophobicContact CD2-CG 4.15Å; F69-P411 HydrophobicContact CE2-CB 3.74Å; F69-P411 HydrophobicContact CE2-CG 4.48Å; F69-P411 HydrophobicContact CG-CB 4.11Å; F69-P411 HydrophobicContact CG-CG 4.19Å; F69-P411 HydrophobicContact CZ-CB 4.44Å; F346-P411 HydrophobicContact CE2-CG 4.47Å; F346-P411 HydrophobicContact CZ-CB 4.34Å; V357-P411 HydrophobicContact CG1-CG 4.2Å; L360-P411 HydrophobicContact CD1-CG 4.44Å; L360-P411 HydrophobicContact CD2-CG 4.18Å; N390-P411 WeakPolarHBondContact OD1-CA 3.49Å; N390-P411 WeakPolarHBondContact OD1-CB 3.35Å
412M97.6Very high94.2Very high2 Ų231.6 Ų31.61%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-105.3-49.3179-63.1-171.6-69.200111.2F69 P136 L206 L389 L391F69-M412 PolarHBondContact N-O 2.9Å; P136-M412 HydrophobicContact CG-CG 4.39Å; L206-M412 HydrophobicContact CD2-CE 3.93Å; L206-M412 HydrophobicContact CD2-SD 4.33Å; L389-M412 HydrophobicContact CB-CE 4.35Å; L389-M412 PolarHBondContact O-N 2.76Å; L391-M412 HydrophobicContact CB-CE 4.15Å; L391-M412 HydrophobicContact CB-CG 4.2Å; L391-M412 HydrophobicContact CB-SD 3.84Å
413L97.8Very high93.8Very high0 Ų033 Ų330%018%0.177CC..EExtended strand (participates in β ladder)trans-157.6161.2174.56381.2000110.1V66 Y67 F68 L206 F207 Q388 L389 F415V66-L413 HydrophobicContact CG1-CB 4.39Å; V66-L413 HydrophobicContact CG1-CD1 4.31Å; V66-L413 HydrophobicContact CG1-CD2 4.09Å; Y67-L413 CarbonylContact O-C 3.59Å; Y67-L413 WeakPolarHBondContact O-CA 3.5Å; Y67-L413 VanDerWaalsContact O-CB 3.27Å; Y67-L413 WeakPolarHBondContact O-CB 3.43Å; F68-L413 HydrophobicContact CD1-CB 3.94Å; F68-L413 HydrophobicContact CD1-CD2 3.98Å; F68-L413 HydrophobicContact CE1-CB 4.34Å; F68-L413 HydrophobicContact CE1-CD2 3.54Å; F68-L413 HydrophobicContact CG-CB 4.34Å; F68-L413 HydrophobicContact CZ-CD2 4.12Å; L206-L413 HydrophobicContact CD1-CD2 3.3Å; L206-L413 HydrophobicContact CD1-CG 4.19Å; F207-L413 HydrophobicContact CE2-CD1 4.04Å; F207-L413 HydrophobicContact CE2-CD2 3.88Å; F207-L413 HydrophobicContact CZ-CD1 4.06Å; Q388-L413 WeakPolarHBondContact CG-O 3.29Å; L389-L413 HydrophobicContact CB-CD1 4.38Å; L389-L413 HydrophobicContact CD1-CD1 4.14Å; L389-L413 HydrophobicContact CG-CD1 4.28Å; L389-L413 PolarHBondContact N-O 3.29Å; L413-F415 HydrophobicContact CD1-CD1 3.86Å
414W97.9Very high93.4Very high9 Ų936.8 Ų36.83%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-125157.1159.369.5-89.2000110.1Y67 F69 P344 H345 L387 Q388 E416Y67-W414 VanDerWaalsContact CB-CE2 3.49Å; Y67-W414 HydrophobicContact CD1-CH2 4.35Å; Y67-W414 AromaticContact CD1-CZ2 3.73Å; Y67-W414 HydrophobicContact CD1-CZ2 3.73Å; Y67-W414 AromaticContact CD2-CD2 3.75Å; Y67-W414 HydrophobicContact CD2-CD2 3.75Å; Y67-W414 AromaticContact CD2-CE2 3.5Å; Y67-W414 VanDerWaalsContact CD2-CE2 3.5Å; Y67-W414 AromaticContact CD2-CE3 3.77Å; Y67-W414 HydrophobicContact CD2-CE3 3.77Å; Y67-W414 AromaticContact CD2-CH2 3.36Å; Y67-W414 HydrophobicContact CD2-CH2 3.36Å; Y67-W414 AromaticContact CD2-CZ2 3.31Å; Y67-W414 HydrophobicContact CD2-CZ2 3.31Å; Y67-W414 AromaticContact CD2-CZ3 3.59Å; Y67-W414 HydrophobicContact CD2-CZ3 3.59Å; Y67-W414 HydrophobicContact CE1-CH2 4.19Å; Y67-W414 AromaticContact CE1-CZ2 3.93Å; Y67-W414 HydrophobicContact CE1-CZ2 3.93Å; Y67-W414 HydrophobicContact CE2-CE3 4.21Å; Y67-W414 AromaticContact CE2-CH2 3.18Å; Y67-W414 HydrophobicContact CE2-CH2 3.18Å; Y67-W414 AromaticContact CE2-CZ2 3.56Å; Y67-W414 HydrophobicContact CE2-CZ2 3.56Å; Y67-W414 AromaticContact CE2-CZ3 3.55Å; Y67-W414 HydrophobicContact CE2-CZ3 3.55Å; Y67-W414 HydrophobicContact CG-CD2 4.08Å; Y67-W414 AromaticContact CG-CE2 3.47Å; Y67-W414 VanDerWaalsContact CG-CE2 3.47Å; Y67-W414 AromaticContact CG-CH2 3.95Å; Y67-W414 HydrophobicContact CG-CH2 3.95Å; Y67-W414 AromaticContact CG-CZ2 3.4Å; Y67-W414 HydrophobicContact CG-CZ2 3.4Å; Y67-W414 VanDerWaalsContact CG-CZ2 3.4Å; Y67-W414 HydrophobicContact CG-CZ3 4.49Å; Y67-W414 AromaticContact CG-NE1 3.83Å; Y67-W414 AromaticContact CZ-CH2 3.61Å; Y67-W414 AromaticContact CZ-CZ2 3.84Å; Y67-W414 PolarHBondContact N-O 3.16Å; Y67-W414 PolarHBondContact O-N 3.06Å; F69-W414 AromaticContact CE2-CD1 3.65Å; F69-W414 AromaticContact CZ-CD1 3.56Å; P344-W414 HydrophobicContact CB-CB 4.01Å; P344-W414 HydrophobicContact CB-CD2 3.71Å; P344-W414 HydrophobicContact CB-CE3 3.98Å; P344-W414 HydrophobicContact CB-CG 3.74Å; P344-W414 HydrophobicContact CG-CB 4.1Å; P344-W414 HydrophobicContact CG-CD2 3.87Å; P344-W414 HydrophobicContact CG-CE3 3.63Å; P344-W414 HydrophobicContact CG-CG 4.1Å; P344-W414 HydrophobicContact CG-CZ3 4.29Å; H345-W414 AromaticContact CD2-NE1 3.82Å; H345-W414 AromaticContact NE2-NE1 3.71Å; L387-W414 CarbonylContact O-C 3.55Å; L387-W414 VanDerWaalsContact O-CA 3.26Å; L387-W414 WeakPolarHBondContact O-CA 3.43Å; L387-W414 WeakPolarHBondContact O-CB 3.3Å; Q388-W414 HydrophobicContact CB-CB 3.74Å; Q388-W414 HydrophobicContact CG-CB 4Å; W414-E416 HydrophobicContact CZ3-CB 4.08Å
415F96.5Very high92.8Very high22 Ų2231.9 Ų31.910%0.09618%0.177CC..EExtended strand (participates in β ladder)trans-136.3148.9178.962.3-87.9000110.7M64 S65 V66 F207 R386 L387 L389 L413 E417M64-F415 HydrophobicContact CE-CB 3.83Å; M64-F415 HydrophobicContact CE-CD1 4.31Å; M64-F415 HydrophobicContact CE-CD2 3.91Å; M64-F415 HydrophobicContact CE-CG 3.75Å; M64-F415 HydrophobicContact CG-CB 4.46Å; S65-F415 CarbonylContact O-C 3.55Å; S65-F415 WeakPolarHBondContact O-CA 3.16Å; V66-F415 HydrophobicContact CG2-CB 4.17Å; F207-F415 HydrophobicContact CE1-CE1 4.31Å; F207-F415 AromaticContact CZ-CD1 3.87Å; F207-F415 HydrophobicContact CZ-CD1 3.87Å; F207-F415 HydrophobicContact CZ-CE1 4.01Å; R386-F415 WeakPolarHBondContact CA-O 3.48Å; L387-F415 HydrophobicContact CB-CE1 4.11Å; L387-F415 HydrophobicContact CB-CE2 4.34Å; L387-F415 HydrophobicContact CB-CZ 3.86Å; L387-F415 HydrophobicContact CD1-CZ 4.25Å; L387-F415 PolarHBondContact N-O 3.16Å; L387-F415 PolarHBondContact O-N 3.12Å; L389-F415 HydrophobicContact CG-CE1 4.31Å; L413-F415 HydrophobicContact CD1-CD1 3.86Å; F415-E417 HydrophobicContact CD2-CG 4.34Å; F415-E417 HydrophobicContact CE2-CG 4.47Å
416E95.9Very high92.4Very high21 Ų2132.8 Ų32.810%0.09818%0.182CC..EExtended strand (participates in β ladder)trans-111.6119.8170.3178.5-176-127.200108.2M64 S65 S384 I385 R386 W414 N418M64-E416 CarbonylContact C-O 3.46Å; M64-E416 VanDerWaalsContact CA-O 3.3Å; M64-E416 WeakPolarHBondContact CA-O 3.29Å; S65-E416 PolarHBondContact N-O 3.03Å; S65-E416 PolarHBondContact O-N 3.43Å; S384-E416 PolarHBondContact OG-OE1 2.91Å; I385-E416 CarbonylContact O-C 3.56Å; I385-E416 VanDerWaalsContact O-CA 3.29Å; I385-E416 WeakPolarHBondContact O-CA 3.26Å; R386-E416 HydrophobicContact CG-CB 4.11Å; R386-E416 HydrophobicContact CG-CG 3.98Å; R386-E416 IonicContact CZ-OE1 3.17Å; R386-E416 IonicContact NE-OE1 2.85Å; R386-E416 PolarHBondContact NE-OE1 3.47Å; R386-E416 IonicContact NH2-OE1 2.9Å; R386-E416 PolarHBondContact NH2-OE1 3.33Å; W414-E416 HydrophobicContact CZ3-CB 4.08Å; E416-N418 HydrophobicContact CG-CB 4Å; E416-N418 PolarHBondContact OE2-ND2 2.84Å
417E92.6Very high92.1Very high36 Ų3633.9 Ų33.917%0.16819%0.186CC..EExtended strand (participates in β ladder)trans-89.8109.9157.6-67.7-159.416800108.3F63 K95 I385 F415F63-E417 CarbonylContact O-C 3.54Å; F63-E417 WeakPolarHBondContact O-CA 3.47Å; K95-E417 IonicContact NZ-OE1 3.24Å; K95-E417 PolarHBondContact NZ-OE1 3.28Å; K95-E417 IonicContact NZ-OE2 3.39Å; K95-E417 PolarHBondContact NZ-OE2 3.43Å; I385-E417 HydrophobicContact CB-CB 4.42Å; I385-E417 PolarHBondContact N-O 2.83Å; I385-E417 PolarHBondContact O-N 2.91Å; F415-E417 HydrophobicContact CD2-CG 4.34Å; F415-E417 HydrophobicContact CE2-CG 4.47Å
418N92.4Very high91.7Very high27 Ų2732.5 Ų32.514%0.14418%0.184CC..EExtended strand (participates in β ladder)trans-112.3152.9175.271.444.4000111.8F62 F63 V383 E416F62-N418 WeakPolarHBondContact CA-O 3.28Å; F63-N418 WeakPolarHBondContact CB-OD1 3.35Å; F63-N418 PolarHBondContact N-O 3.18Å; F63-N418 PolarHBondContact O-N 3.2Å; V383-N418 WeakPolarHBondContact O-CA 3.46Å; V383-N418 WeakPolarHBondContact O-CB 3.19Å; E416-N418 HydrophobicContact CG-CB 4Å; E416-N418 PolarHBondContact OE2-ND2 2.84Å
419G89.3Confident91.2Very high4 Ų433.6 Ų33.64%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-160.8134.8176.800000109.3N382 V383N382-G419 CarbonylContact C-O 3.52Å; N382-G419 WeakPolarHBondContact CA-O 3.31Å; V383-G419 PolarHBondContact N-O 3.32Å; V383-G419 PolarHBondContact O-N 3.48Å; V383-G419 VanDerWaalsContact O-N 3.1Å
420Y87.8Confident90.8Very high90 Ų9035.6 Ų35.635%0.35320%0.197SC..EExtended strand (participates in β ladder)trans-138.9146.9-179.359.6-87.4000110.3F63 L381 D422F63-Y420 HydrophobicContact CE2-CE1 4.43Å; L381-Y420 WeakPolarHBondContact O-CA 3.48Å; Y420-D422 HydrophobicContact CD2-CB 3.93Å; Y420-D422 HydrophobicContact CE2-CB 3.76Å
421I86.2Confident90.4Very high14 Ų1438 Ų387%0.07221%0.211CC..  trans-78.3126.2174.4-56.8-174.9000108.8V60 V379 P380 L381 I425 L426V60-I421 HydrophobicContact CG1-CG1 4.17Å; V379-I421 HydrophobicContact CG1-CD1 4.26Å; P380-I421 WeakPolarHBondContact O-CD1 3.25Å; L381-I421 HydrophobicContact CD2-CD1 3.63Å; L381-I421 PolarHBondContact O-N 2.99Å; I421-I425 HydrophobicContact CG2-CB 4.12Å; I421-I425 HydrophobicContact CG2-CG2 3.78Å; I421-L426 HydrophobicContact CG2-CB 3.88Å; I421-L426 HydrophobicContact CG2-CD1 4.22Å
422D85.2Confident89.8Confident92 Ų9241.7 Ų41.749%0.49223%0.231SC..  trans-138.7169.8177.4-162.810.5000112Y420 L426Y420-D422 HydrophobicContact CD2-CB 3.93Å; Y420-D422 HydrophobicContact CE2-CB 3.76Å; D422-L426 PolarHBondContact O-N 3.19Å
423G86.9Confident89.1Confident31 Ų3143.3 Ų43.332%0.3224%0.239SC..Hα-helixtrans65.5-139.3167.800000114.6I425 L426 T427G423-I425 PolarHBondContact O-N 2.95Å; G423-L426 PolarHBondContact O-N 2.97Å; G423-T427 PolarHBondContact O-N 3.49Å; G423-T427 VanDerWaalsContact O-N 3.14Å; G423-T427 PolarHBondContact O-OG1 2.89Å; G423-T427 VanDerWaalsContact O-OG1 3.14Å
424P85.8Confident88.6Confident105 Ų10545.1 Ų45.168%0.68225%0.25SS*.Hα-helixtrans-60.6-31.1-177.6-24.934.9000113.9T427 T428P424-T427 PolarHBondContact O-N 2.94Å; P424-T428 WeakPolarHBondContact O-CB 3.29Å; P424-T428 PolarHBondContact O-N 3.03Å; P424-T428 PolarHBondContact O-OG1 3.39Å
425I84.9Confident88.1Confident38 Ų3848.1 Ų48.120%0.19527%0.266CS..Hα-helixtrans-69.5-45.8-179.6-57.9149.9000109.4P59 V60 I421 G423 T427 T428 F429P59-I425 HydrophobicContact CB-CD1 3.55Å; P59-I425 HydrophobicContact CB-CG1 4.18Å; P59-I425 HydrophobicContact CG-CD1 3.76Å; P59-I425 HydrophobicContact CG-CG1 4.15Å; P59-I425 WeakPolarHBondContact O-CD1 3.1Å; V60-I425 HydrophobicContact CG1-CD1 4.18Å; I421-I425 HydrophobicContact CG2-CB 4.12Å; I421-I425 HydrophobicContact CG2-CG2 3.78Å; G423-I425 PolarHBondContact O-N 2.95Å; I425-T427 VanDerWaalsContact C-N 3.29Å; I425-T427 PolarHBondContact O-N 3.45Å; I425-T428 PolarHBondContact O-N 3Å; I425-F429 WeakPolarHBondContact O-CB 3.4Å; I425-F429 PolarHBondContact O-N 3.49Å
426L87.4Confident87.7Confident23 Ų2351.2 Ų51.212%0.1228%0.284CS..Hα-helixtrans-57.3-45.5174.8-178.364000111N293 I295 I421 D422 G423 T428 F429 H430N293-L426 HydrophobicContact CB-CD1 4.42Å; N293-L426 HydrophobicContact CB-CD2 4.19Å; N293-L426 WeakPolarHBondContact ND2-CD2 3.47Å; I295-L426 HydrophobicContact CD1-CD1 3.59Å; I421-L426 HydrophobicContact CG2-CB 3.88Å; I421-L426 HydrophobicContact CG2-CD1 4.22Å; D422-L426 PolarHBondContact O-N 3.19Å; G423-L426 PolarHBondContact O-N 2.97Å; L426-T428 VanDerWaalsContact C-N 3.34Å; L426-T428 PolarHBondContact O-N 3.34Å; L426-F429 PolarHBondContact O-N 2.95Å; L426-H430 VanDerWaalsContact O-CB 3.31Å; L426-H430 WeakPolarHBondContact O-CB 3.29Å; L426-H430 PolarHBondContact O-N 3.34Å
427T88.1Confident87.3Confident88 Ų8851.8 Ų51.854%0.5429%0.289SS..Hα-helixtrans-62.2-43.1179.4-55.50000111.5G423 P424 I425 T431G423-T427 PolarHBondContact O-N 3.49Å; G423-T427 VanDerWaalsContact O-N 3.14Å; G423-T427 PolarHBondContact O-OG1 2.89Å; G423-T427 VanDerWaalsContact O-OG1 3.14Å; P424-T427 PolarHBondContact O-N 2.94Å; I425-T427 VanDerWaalsContact C-N 3.29Å; I425-T427 PolarHBondContact O-N 3.45Å; T427-T431 WeakPolarHBondContact O-CB 3.32Å; T427-T431 PolarHBondContact O-N 3.3Å; T427-T431 PolarHBondContact O-OG1 3.45Å
428T86.3Confident87.1Confident62 Ų6251.5 Ų51.538%0.3829%0.293SS..Hα-helixtrans-64-44.7177.3-57.50000110.8P424 I425 L426 T431 N432P424-T428 WeakPolarHBondContact O-CB 3.29Å; P424-T428 PolarHBondContact O-N 3.03Å; P424-T428 PolarHBondContact O-OG1 3.39Å; I425-T428 PolarHBondContact O-N 3Å; L426-T428 VanDerWaalsContact C-N 3.34Å; L426-T428 PolarHBondContact O-N 3.34Å; T428-T431 PolarHBondContact O-N 2.68Å; T428-N432 WeakPolarHBondContact O-CB 3.29Å; T428-N432 PolarHBondContact O-N 3.28Å; T428-N432 PolarHBondContact O-ND2 2.9Å
429F85.9Confident86.9Confident30 Ų3053.7 Ų53.713%0.13231%0.307CS..Hα-helixtrans-64.1-47.3179.1-157.7-94.3000111.5I295 H374 V379 L381 I425 L426 T431 N432 L433I295-F429 HydrophobicContact CD1-CD1 3.85Å; I295-F429 HydrophobicContact CG1-CD1 4.47Å; I295-F429 HydrophobicContact CG2-CD1 4.23Å; I295-F429 HydrophobicContact CG2-CE1 4.03Å; H374-F429 HydrophobicContact CB-CE1 3.95Å; H374-F429 HydrophobicContact CB-CZ 3.94Å; H374-F429 AromaticContact CG-CE1 3.87Å; V379-F429 HydrophobicContact CB-CE2 3.97Å; V379-F429 HydrophobicContact CB-CZ 3.96Å; V379-F429 HydrophobicContact CG1-CE2 4Å; V379-F429 HydrophobicContact CG1-CZ 4.27Å; V379-F429 HydrophobicContact CG2-CE2 4.17Å; V379-F429 HydrophobicContact CG2-CZ 4.48Å; L381-F429 HydrophobicContact CD2-CD1 4.03Å; L381-F429 HydrophobicContact CD2-CE1 3.53Å; L381-F429 HydrophobicContact CD2-CZ 4Å; I425-F429 WeakPolarHBondContact O-CB 3.4Å; I425-F429 PolarHBondContact O-N 3.49Å; L426-F429 PolarHBondContact O-N 2.95Å; F429-T431 PolarHBondContact O-N 3.34Å; F429-N432 PolarHBondContact O-N 3.05Å; F429-L433 HydrophobicContact CD1-CD1 3.5Å; F429-L433 VanDerWaalsContact CD1-CD1 3.5Å; F429-L433 HydrophobicContact CD2-CD1 3.74Å; F429-L433 HydrophobicContact CE1-CD1 3.15Å; F429-L433 HydrophobicContact CE2-CD1 3.42Å; F429-L433 VanDerWaalsContact CE2-CD1 3.42Å; F429-L433 HydrophobicContact CG-CD1 3.79Å; F429-L433 HydrophobicContact CZ-CD1 3.13Å; F429-L433 WeakPolarHBondContact O-CB 3.48Å; F429-L433 PolarHBondContact O-N 3.46Å
430H88.4Confident86.8Confident54 Ų5456.9 Ų56.925%0.2532%0.321CS..Hα-helixtrans-60.7-43.4175.5-177.3-89.6000111.8N293 I295 L426 V434 I435N293-H430 PolarHBondContact O-CD2 2.91Å; I295-H430 HydrophobicContact CD1-CB 4.16Å; I295-H430 HydrophobicContact CG1-CB 4.25Å; L426-H430 VanDerWaalsContact O-CB 3.31Å; L426-H430 WeakPolarHBondContact O-CB 3.29Å; L426-H430 PolarHBondContact O-N 3.34Å; H430-V434 WeakPolarHBondContact O-CA 3.37Å; H430-V434 VanDerWaalsContact O-CB 3.25Å; H430-V434 WeakPolarHBondContact O-CB 3.3Å; H430-V434 PolarHBondContact O-N 3.48Å; H430-I435 PolarHBondContact O-N 2.96Å; H430-I435 VanDerWaalsContact O-N 3.1Å
431T88.6Confident86.8Confident49 Ų4956.9 Ų56.930%0.30133%0.325SS..Iπ-helixtrans-62.1-47.5178.5-57.90000111.3T427 T428 F429 I435 L436T427-T431 WeakPolarHBondContact O-CB 3.32Å; T427-T431 PolarHBondContact O-N 3.3Å; T427-T431 PolarHBondContact O-OG1 3.45Å; T428-T431 PolarHBondContact O-N 2.68Å; F429-T431 PolarHBondContact O-N 3.34Å; T431-I435 PolarHBondContact O-N 2.92Å; T431-L436 WeakPolarHBondContact O-CG 3.35Å; T431-L436 PolarHBondContact O-N 3.39Å
432N84.8Confident87.1Confident78 Ų7863.7 Ų63.742%0.41735%0.351SS..Iπ-helixtrans-75-31.1-174.5-70.6-20.6000113.8T428 F429 P437T428-N432 WeakPolarHBondContact O-CB 3.29Å; T428-N432 PolarHBondContact O-N 3.28Å; T428-N432 PolarHBondContact O-ND2 2.9Å; F429-N432 PolarHBondContact O-N 3.05Å; N432-P437 WeakPolarHBondContact O-CD 3.32Å
433L83.5Confident87.3Confident37 Ų3763.1 Ų63.119%0.19435%0.346CS..Iπ-helixtrans-110.3-16.2-171.2-62.8168.7000114.3T377 F429T377-L433 HydrophobicContact CG2-CD1 3.79Å; T377-L433 HydrophobicContact CG2-CD2 3.69Å; T377-L433 HydrophobicContact CG2-CG 4.42Å; F429-L433 HydrophobicContact CD1-CD1 3.5Å; F429-L433 VanDerWaalsContact CD1-CD1 3.5Å; F429-L433 HydrophobicContact CD2-CD1 3.74Å; F429-L433 HydrophobicContact CE1-CD1 3.15Å; F429-L433 HydrophobicContact CE2-CD1 3.42Å; F429-L433 VanDerWaalsContact CE2-CD1 3.42Å; F429-L433 HydrophobicContact CG-CD1 3.79Å; F429-L433 HydrophobicContact CZ-CD1 3.13Å; F429-L433 WeakPolarHBondContact O-CB 3.48Å; F429-L433 PolarHBondContact O-N 3.46Å
434V86Confident87.5Confident38 Ų3862.4 Ų62.423%0.2333%0.334CS..Iπ-helixtrans-114.5-57.6177.2-173.50000110.1I295 H430 A438I295-V434 HydrophobicContact CB-CG2 4.41Å; I295-V434 HydrophobicContact CG1-CG2 3.9Å; H430-V434 WeakPolarHBondContact O-CA 3.37Å; H430-V434 VanDerWaalsContact O-CB 3.25Å; H430-V434 WeakPolarHBondContact O-CB 3.3Å; H430-V434 PolarHBondContact O-N 3.48Å; V434-A438 WeakPolarHBondContact O-CB 3.49Å; V434-A438 PolarHBondContact O-N 3.37Å; V434-A438 VanDerWaalsContact O-N 3.09Å
435I88.8Confident87.9Confident72 Ų7263 Ų6337%0.36932%0.324SS..Iπ-helixtrans-69.7-53.1-171.9-57.1179.5000111.6H430 T431 A438 V439H430-I435 PolarHBondContact O-N 2.96Å; H430-I435 VanDerWaalsContact O-N 3.1Å; T431-I435 PolarHBondContact O-N 2.92Å; I435-A438 PolarHBondContact O-N 3.47Å; I435-V439 HydrophobicContact CG2-CG2 4.15Å; I435-V439 WeakPolarHBondContact O-CB 3.22Å; I435-V439 VanDerWaalsContact O-CG2 3.29Å; I435-V439 WeakPolarHBondContact O-CG2 3.34Å; I435-V439 PolarHBondContact O-N 3.43Å
436L87.4Confident88.3Confident87 Ų8765.2 Ų65.246%0.45534%0.335SS..Hα-helixtrans-60.3-48.3-177.5-73.3-179.6000112.3T431 A438 V439 M440T431-L436 WeakPolarHBondContact O-CG 3.35Å; T431-L436 PolarHBondContact O-N 3.39Å; L436-A438 PolarHBondContact O-N 2.86Å; L436-V439 PolarHBondContact O-N 2.97Å; L436-M440 WeakPolarHBondContact O-CG 3.27Å; L436-M440 PolarHBondContact O-N 3.38Å
437P86.8Confident88.6Confident32 Ų3266.9 Ų66.921%0.20834%0.341CS..Hα-helixtrans-59.9-43.4174.4-28.138.6000113.1I34 N432 V439 M440 E441I34-P437 HydrophobicContact CD1-CB 4.07Å; N432-P437 WeakPolarHBondContact O-CD 3.32Å; P437-V439 PolarHBondContact O-N 3.49Å; P437-M440 WeakPolarHBondContact O-CB 3.5Å; P437-M440 PolarHBondContact O-N 2.86Å; P437-E441 WeakPolarHBondContact O-CB 3.34Å; P437-E441 PolarHBondContact O-N 3.22Å
438A87.9Confident88.9Confident30 Ų3064.5 Ų64.525%0.24833%0.325CS..Hα-helixtrans-62.8-42.9177.800000111.8V434 I435 L436 M440 E441 Y442V434-A438 WeakPolarHBondContact O-CB 3.49Å; V434-A438 PolarHBondContact O-N 3.37Å; V434-A438 VanDerWaalsContact O-N 3.09Å; I435-A438 PolarHBondContact O-N 3.47Å; L436-A438 PolarHBondContact O-N 2.86Å; A438-M440 VanDerWaalsContact C-N 3.34Å; A438-M440 PolarHBondContact O-N 3.28Å; A438-E441 PolarHBondContact O-N 3.45Å; A438-Y442 HydrophobicContact CB-CD2 4.44Å; A438-Y442 HydrophobicContact CB-CE2 4.16Å; A438-Y442 WeakPolarHBondContact O-CD2 3.41Å; A438-Y442 PolarHBondContact O-N 2.77Å
439V89.9Confident89.3Confident74 Ų7464.3 Ų64.345%0.44833%0.33SS..Hα-helixtrans-61.3-43.7174.8170.40000110.7I435 L436 P437 E441 Y442 M443I435-V439 HydrophobicContact CG2-CG2 4.15Å; I435-V439 WeakPolarHBondContact O-CB 3.22Å; I435-V439 VanDerWaalsContact O-CG2 3.29Å; I435-V439 WeakPolarHBondContact O-CG2 3.34Å; I435-V439 PolarHBondContact O-N 3.43Å; L436-V439 PolarHBondContact O-N 2.97Å; P437-V439 PolarHBondContact O-N 3.49Å; V439-E441 VanDerWaalsContact C-N 3.32Å; V439-E441 PolarHBondContact O-N 3.47Å; V439-Y442 PolarHBondContact O-N 2.94Å; V439-M443 HydrophobicContact CG1-CG 4.22Å; V439-M443 VanDerWaalsContact O-CB 3.28Å; V439-M443 WeakPolarHBondContact O-CB 3.22Å; V439-M443 WeakPolarHBondContact O-CG 3.34Å; V439-M443 PolarHBondContact O-N 2.99Å
440M87.2Confident89.7Confident70 Ų7067.1 Ų67.135%0.34535%0.346SS..Hα-helixtrans-60.5-43176.1-72.3177.967.300111.6L436 P437 A438 M443 Q444L436-M440 WeakPolarHBondContact O-CG 3.27Å; L436-M440 PolarHBondContact O-N 3.38Å; P437-M440 WeakPolarHBondContact O-CB 3.5Å; P437-M440 PolarHBondContact O-N 2.86Å; A438-M440 VanDerWaalsContact C-N 3.34Å; A438-M440 PolarHBondContact O-N 3.28Å; M440-M443 PolarHBondContact O-N 2.95Å; M440-Q444 WeakPolarHBondContact O-CG 3.43Å; M440-Q444 PolarHBondContact O-N 2.87Å; M440-Q444 VanDerWaalsContact O-N 3.11Å; M440-Q444 PolarHBondContact O-NE2 3.26Å
441E88.1Confident90Very high91 Ų9164.6 Ų64.643%0.42533%0.334SS..Hα-helixtrans-64.1-49.6177.1-172.3-176.617500111.6P437 A438 V439 M443 Q444 Y445P437-E441 WeakPolarHBondContact O-CB 3.34Å; P437-E441 PolarHBondContact O-N 3.22Å; A438-E441 PolarHBondContact O-N 3.45Å; V439-E441 VanDerWaalsContact C-N 3.32Å; V439-E441 PolarHBondContact O-N 3.47Å; E441-M443 VanDerWaalsContact C-N 3.31Å; E441-M443 PolarHBondContact O-N 2.87Å; E441-Q444 VanDerWaalsContact O-CB 3.31Å; E441-Q444 WeakPolarHBondContact O-CB 3.42Å; E441-Q444 PolarHBondContact O-N 2.97Å; E441-Q444 VanDerWaalsContact O-N 3.14Å; E441-Y445 HydrophobicContact CG-CD2 4.21Å; E441-Y445 HydrophobicContact CG-CE2 3.49Å; E441-Y445 VanDerWaalsContact CG-CE2 3.49Å; E441-Y445 VanDerWaalsContact O-CD2 3.24Å; E441-Y445 WeakPolarHBondContact O-CD2 3.48Å; E441-Y445 PolarHBondContact O-N 2.66Å; E441-Y445 WeakPolarHBondContact OE1-CE2 3.27Å; E441-Y445 PolarHBondContact OE1-OH 2.93Å
442Y91.6Very high90.2Very high156 Ų15666.8 Ų66.861%0.61234%0.344SS*.Hα-helixtrans-61.1-40.1176.9-70.6-56.7000112.2A438 V439 Q444 Y445 I446A438-Y442 HydrophobicContact CB-CD2 4.44Å; A438-Y442 HydrophobicContact CB-CE2 4.16Å; A438-Y442 WeakPolarHBondContact O-CD2 3.41Å; A438-Y442 PolarHBondContact O-N 2.77Å; V439-Y442 PolarHBondContact O-N 2.94Å; Y442-Q444 VanDerWaalsContact C-N 3.28Å; Y442-Q444 PolarHBondContact O-N 2.98Å; Y442-Y445 PolarHBondContact O-N 3.39Å; Y442-I446 WeakPolarHBondContact O-CB 3.35Å; Y442-I446 VanDerWaalsContact O-CG1 3.24Å; Y442-I446 WeakPolarHBondContact O-CG1 3.33Å; Y442-I446 PolarHBondContact O-N 3.4Å
443M89.9Confident90.7Very high80 Ų8067.9 Ų67.939%0.39435%0.349SS..Hα-helixtrans-61.1-36.8176.6-76.3-66.4-65.500112.1V439 M440 E441 I446 F447V439-M443 HydrophobicContact CG1-CG 4.22Å; V439-M443 VanDerWaalsContact O-CB 3.28Å; V439-M443 WeakPolarHBondContact O-CB 3.22Å; V439-M443 WeakPolarHBondContact O-CG 3.34Å; V439-M443 PolarHBondContact O-N 2.99Å; M440-M443 PolarHBondContact O-N 2.95Å; E441-M443 VanDerWaalsContact C-N 3.31Å; E441-M443 PolarHBondContact O-N 2.87Å; M443-I446 PolarHBondContact O-N 3.25Å; M443-F447 HydrophobicContact CB-CE2 4.5Å; M443-F447 HydrophobicContact CE-CE1 4.42Å; M443-F447 HydrophobicContact CE-CE2 3.69Å; M443-F447 HydrophobicContact CE-CZ 3.58Å; M443-F447 WeakPolarHBondContact O-CD2 3.26Å; M443-F447 WeakPolarHBondContact O-CG 3.23Å; M443-F447 PolarHBondContact O-N 2.88Å
444Q91.4Very high91.1Very high16 Ų1669 Ų698%0.07536%0.357CS..Hα-helixtrans-59.2-51.3174.6-67.5156.322.100111L26 V27 M440 E441 Y442 I446 F447 I448L26-Q444 HydrophobicContact CB-CG 3.61Å; L26-Q444 HydrophobicContact CD1-CG 4.47Å; L26-Q444 PolarHBondContact O-NE2 3.39Å; V27-Q444 HydrophobicContact CG2-CB 4Å; V27-Q444 HydrophobicContact CG2-CG 4.42Å; M440-Q444 WeakPolarHBondContact O-CG 3.43Å; M440-Q444 PolarHBondContact O-N 2.87Å; M440-Q444 VanDerWaalsContact O-N 3.11Å; M440-Q444 PolarHBondContact O-NE2 3.26Å; E441-Q444 VanDerWaalsContact O-CB 3.31Å; E441-Q444 WeakPolarHBondContact O-CB 3.42Å; E441-Q444 PolarHBondContact O-N 2.97Å; E441-Q444 VanDerWaalsContact O-N 3.14Å; Y442-Q444 VanDerWaalsContact C-N 3.28Å; Y442-Q444 PolarHBondContact O-N 2.98Å; Q444-I446 VanDerWaalsContact C-N 3.35Å; Q444-I446 PolarHBondContact O-N 2.86Å; Q444-F447 PolarHBondContact O-N 3.34Å; Q444-I448 WeakPolarHBondContact O-CG1 3.16Å; Q444-I448 PolarHBondContact O-N 3.48Å; Q444-I448 VanDerWaalsContact O-N 3.07Å
445Y92.3Very high91.5Very high118 Ų11868.6 Ų68.646%0.46336%0.355SS..Hα-helixtrans-66.6-36180-60.3-55.5000112.7E441 Y442 I448 A449E441-Y445 HydrophobicContact CG-CD2 4.21Å; E441-Y445 HydrophobicContact CG-CE2 3.49Å; E441-Y445 VanDerWaalsContact CG-CE2 3.49Å; E441-Y445 VanDerWaalsContact O-CD2 3.24Å; E441-Y445 WeakPolarHBondContact O-CD2 3.48Å; E441-Y445 PolarHBondContact O-N 2.66Å; E441-Y445 WeakPolarHBondContact OE1-CE2 3.27Å; E441-Y445 PolarHBondContact OE1-OH 2.93Å; Y442-Y445 PolarHBondContact O-N 3.39Å; Y445-I448 PolarHBondContact O-N 3.18Å; Y445-A449 WeakPolarHBondContact O-CB 3.38Å; Y445-A449 PolarHBondContact O-N 3.45Å
446I93.8Very high91.6Very high84 Ų8470 Ų7043%0.43136%0.362SS..Hα-helixtrans-62.1-45.6174.5-70.8166000110.5Y442 M443 Q444 I448 A449 L450Y442-I446 WeakPolarHBondContact O-CB 3.35Å; Y442-I446 VanDerWaalsContact O-CG1 3.24Å; Y442-I446 WeakPolarHBondContact O-CG1 3.33Å; Y442-I446 PolarHBondContact O-N 3.4Å; M443-I446 PolarHBondContact O-N 3.25Å; Q444-I446 VanDerWaalsContact C-N 3.35Å; Q444-I446 PolarHBondContact O-N 2.86Å; I446-I448 VanDerWaalsContact C-N 3.35Å; I446-I448 PolarHBondContact O-N 2.87Å; I446-A449 PolarHBondContact O-N 2.88Å; I446-L450 HydrophobicContact CG2-CD1 3.67Å; I446-L450 HydrophobicContact CG2-CG 4.23Å; I446-L450 WeakPolarHBondContact O-CB 3.33Å; I446-L450 VanDerWaalsContact O-CG 3.29Å; I446-L450 WeakPolarHBondContact O-CG 3.44Å; I446-L450 PolarHBondContact O-N 3.4Å
447F93.4Very high91.8Very high58 Ų5869.6 Ų69.625%0.25436%0.363SS..Hα-helixtrans-62.9-40.2176.8-74.7-49.9000112.4T19 F22 L26 M443 Q444 G451T19-F447 HydrophobicContact CG2-CB 4.4Å; T19-F447 HydrophobicContact CG2-CD1 4.13Å; F22-F447 HydrophobicContact CD1-CD2 4.29Å; F22-F447 HydrophobicContact CE1-CD2 4.23Å; F22-F447 HydrophobicContact CE1-CE2 4.07Å; L26-F447 HydrophobicContact CD1-CD2 4.06Å; L26-F447 HydrophobicContact CD1-CE2 4.3Å; M443-F447 HydrophobicContact CB-CE2 4.5Å; M443-F447 HydrophobicContact CE-CE1 4.42Å; M443-F447 HydrophobicContact CE-CE2 3.69Å; M443-F447 HydrophobicContact CE-CZ 3.58Å; M443-F447 WeakPolarHBondContact O-CD2 3.26Å; M443-F447 WeakPolarHBondContact O-CG 3.23Å; M443-F447 PolarHBondContact O-N 2.88Å; Q444-F447 PolarHBondContact O-N 3.34Å; F447-G451 PolarHBondContact O-N 2.87Å
448I94.1Very high92Very high38 Ų3868.4 Ų68.420%0.19536%0.356CS..Hα-helixtrans-63.1-49.4175.8-65.1169.1000110.4I24 V27 Q444 Y445 I446 G451 L452I24-I448 HydrophobicContact CG1-CD1 4.22Å; I24-I448 HydrophobicContact CG1-CG1 4.29Å; V27-I448 HydrophobicContact CG2-CD1 4.01Å; Q444-I448 WeakPolarHBondContact O-CG1 3.16Å; Q444-I448 PolarHBondContact O-N 3.48Å; Q444-I448 VanDerWaalsContact O-N 3.07Å; Y445-I448 PolarHBondContact O-N 3.18Å; I446-I448 VanDerWaalsContact C-N 3.35Å; I446-I448 PolarHBondContact O-N 2.87Å; I448-G451 PolarHBondContact O-N 2.96Å; I448-L452 HydrophobicContact CG2-CD1 3.95Å; I448-L452 HydrophobicContact CG2-CG 4.44Å; I448-L452 WeakPolarHBondContact O-CB 3.44Å; I448-L452 WeakPolarHBondContact O-CG 3.26Å; I448-L452 PolarHBondContact O-N 3.46Å
449A94.9Very high92Very high59 Ų5969 Ų6949%0.48836%0.361SS..Hα-helixtrans-62.4-45.6-178.900000112.2Y445 I446 L452 L453Y445-A449 WeakPolarHBondContact O-CB 3.38Å; Y445-A449 PolarHBondContact O-N 3.45Å; I446-A449 PolarHBondContact O-N 2.88Å; A449-L452 PolarHBondContact O-N 2.87Å; A449-L453 VanDerWaalsContact O-CB 3.28Å; A449-L453 WeakPolarHBondContact O-CB 3.31Å; A449-L453 PolarHBondContact O-N 3.36Å
450L94.8Very high92Very high89 Ų8970.7 Ų70.747%0.46637%0.367SS..Hα-helixtrans-65.6-40.5176.8-70.4175000111.9I446 L453 T454I446-L450 HydrophobicContact CG2-CD1 3.67Å; I446-L450 HydrophobicContact CG2-CG 4.23Å; I446-L450 WeakPolarHBondContact O-CB 3.33Å; I446-L450 VanDerWaalsContact O-CG 3.29Å; I446-L450 WeakPolarHBondContact O-CG 3.44Å; I446-L450 PolarHBondContact O-N 3.4Å; L450-L453 PolarHBondContact O-N 2.84Å; L450-T454 WeakPolarHBondContact O-CB 3.25Å; L450-T454 VanDerWaalsContact O-CG2 3.26Å; L450-T454 WeakPolarHBondContact O-CG2 3.35Å; L450-T454 PolarHBondContact O-N 3.09Å; L450-T454 PolarHBondContact O-OG1 3.26Å
451G94Very high92Very high0 Ų070.5 Ų70.50%037%0.37CS..Hα-helixtrans-62.9-44.1176.300000112.5G16 F447 I448 T454 T455G16-G451 CarbonylContact C-O 3.41Å; G16-G451 CarbonylContact O-C 3.54Å; G16-G451 VanDerWaalsContact O-CA 3.27Å; G16-G451 WeakPolarHBondContact O-CA 3.41Å; F447-G451 PolarHBondContact O-N 2.87Å; I448-G451 PolarHBondContact O-N 2.96Å; G451-T454 PolarHBondContact O-OG1 3.34Å; G451-T455 WeakPolarHBondContact O-CB 3.25Å; G451-T455 PolarHBondContact O-N 3.32Å; G451-T455 PolarHBondContact O-OG1 3.43Å
452L94.3Very high92Very high96 Ų9670 Ų7050%0.50336%0.364SS..Hα-helixtrans-66.5-45.7175.8-70.1174.9000111.9I448 A449 T454 T455 I456I448-L452 HydrophobicContact CG2-CD1 3.95Å; I448-L452 HydrophobicContact CG2-CG 4.44Å; I448-L452 WeakPolarHBondContact O-CB 3.44Å; I448-L452 WeakPolarHBondContact O-CG 3.26Å; I448-L452 PolarHBondContact O-N 3.46Å; A449-L452 PolarHBondContact O-N 2.87Å; L452-T454 PolarHBondContact O-N 2.94Å; L452-T455 PolarHBondContact O-N 3.48Å; L452-I456 VanDerWaalsContact O-CG1 3.26Å; L452-I456 WeakPolarHBondContact O-CG1 3.27Å; L452-I456 PolarHBondContact O-N 3.42Å
453L94.6Very high91.8Very high101 Ų10170.9 Ų70.953%0.52937%0.368SS..Hα-helixtrans-60.4-47.9179.4-179.264.7000111.6A449 L450 T455 I456 V457A449-L453 VanDerWaalsContact O-CB 3.28Å; A449-L453 WeakPolarHBondContact O-CB 3.31Å; A449-L453 PolarHBondContact O-N 3.36Å; L450-L453 PolarHBondContact O-N 2.84Å; L453-T455 VanDerWaalsContact C-N 3.33Å; L453-T455 PolarHBondContact O-N 2.93Å; L453-I456 PolarHBondContact O-N 2.72Å; L453-V457 HydrophobicContact CD1-CG2 4.22Å; L453-V457 WeakPolarHBondContact O-CB 3.13Å; L453-V457 VanDerWaalsContact O-CG2 3.29Å; L453-V457 WeakPolarHBondContact O-CG2 3.28Å; L453-V457 PolarHBondContact O-N 3.28Å
454T93Very high91.6Very high59 Ų5974.4 Ų74.436%0.36238%0.381SS..Hα-helixtrans-62.7-40.3177.850.70000111.8G16 L450 G451 L452 A458G16-T454 VanDerWaalsContact CA-OG1 3.23Å; G16-T454 WeakPolarHBondContact CA-OG1 3.38Å; L450-T454 WeakPolarHBondContact O-CB 3.25Å; L450-T454 VanDerWaalsContact O-CG2 3.26Å; L450-T454 WeakPolarHBondContact O-CG2 3.35Å; L450-T454 PolarHBondContact O-N 3.09Å; L450-T454 PolarHBondContact O-OG1 3.26Å; G451-T454 PolarHBondContact O-OG1 3.34Å; L452-T454 PolarHBondContact O-N 2.94Å; T454-A458 WeakPolarHBondContact O-CB 3.36Å; T454-A458 PolarHBondContact O-N 2.88Å
455T92.5Very high91.2Very high31 Ų3175.6 Ų75.619%0.1939%0.389CS..Hα-helixtrans-62.6-46.5175.9-56.90000111.7I13 G16 V17 G451 L452 L453 A459I13-T455 HydrophobicContact CG2-CG2 4.42Å; G16-T455 WeakPolarHBondContact CA-OG1 3.44Å; V17-T455 HydrophobicContact CG2-CG2 4.04Å; V17-T455 PolarHBondContact N-OG1 2.95Å; G451-T455 WeakPolarHBondContact O-CB 3.25Å; G451-T455 PolarHBondContact O-N 3.32Å; G451-T455 PolarHBondContact O-OG1 3.43Å; L452-T455 PolarHBondContact O-N 3.48Å; L453-T455 VanDerWaalsContact C-N 3.33Å; L453-T455 PolarHBondContact O-N 2.93Å; T455-A459 WeakPolarHBondContact O-CB 3.48Å; T455-A459 PolarHBondContact O-N 3.23Å
456I92.8Very high90.5Very high101 Ų10177.5 Ų77.552%0.51840%0.396SS..Hα-helixtrans-63.7-49.8179.3-68.3164.8000110.6L452 L453 A458 A459 L460L452-I456 VanDerWaalsContact O-CG1 3.26Å; L452-I456 WeakPolarHBondContact O-CG1 3.27Å; L452-I456 PolarHBondContact O-N 3.42Å; L453-I456 PolarHBondContact O-N 2.72Å; I456-A458 PolarHBondContact O-N 3.49Å; I456-A459 PolarHBondContact O-N 3.04Å; I456-L460 HydrophobicContact CG2-CD1 4.08Å; I456-L460 HydrophobicContact CG2-CG 4.5Å; I456-L460 VanDerWaalsContact O-CG 3.32Å; I456-L460 WeakPolarHBondContact O-CG 3.46Å; I456-L460 PolarHBondContact O-N 3.47Å
457V90.9Very high89.6Confident78 Ų7876 Ų7647%0.47340%0.396SS..Hα-helixtrans-60.9-45.6179.8172.30000110.7L453 A459 L460 V461L453-V457 HydrophobicContact CD1-CG2 4.22Å; L453-V457 WeakPolarHBondContact O-CB 3.13Å; L453-V457 VanDerWaalsContact O-CG2 3.29Å; L453-V457 WeakPolarHBondContact O-CG2 3.28Å; L453-V457 PolarHBondContact O-N 3.28Å; V457-A459 PolarHBondContact O-N 3.49Å; V457-L460 PolarHBondContact O-N 3.04Å; V457-V461 WeakPolarHBondContact O-CG2 3.37Å; V457-V461 PolarHBondContact O-N 3.1Å
458A90.1Very high88.5Confident7 Ų778.1 Ų78.16%0.05841%0.414CS..Hα-helixtrans-67.2-36.2179.600000112.5F12 I13 T454 I456 V461 Y462F12-A458 HydrophobicContact CB-CB 3.7Å; I13-A458 HydrophobicContact CG1-CB 3.61Å; T454-A458 WeakPolarHBondContact O-CB 3.36Å; T454-A458 PolarHBondContact O-N 2.88Å; I456-A458 PolarHBondContact O-N 3.49Å; A458-V461 PolarHBondContact O-N 3.22Å; A458-Y462 VanDerWaalsContact O-CB 3.25Å; A458-Y462 WeakPolarHBondContact O-CB 3.27Å; A458-Y462 PolarHBondContact O-N 3.02Å
459A89.1Confident86.9Confident43 Ų4380 Ų8036%0.35543%0.43SS..Hα-helixtrans-64.9-42.8173.700000112.1I13 T455 I456 V457 Y462 Y463I13-A459 HydrophobicContact CD1-CB 4.45Å; T455-A459 WeakPolarHBondContact O-CB 3.48Å; T455-A459 PolarHBondContact O-N 3.23Å; I456-A459 PolarHBondContact O-N 3.04Å; V457-A459 PolarHBondContact O-N 3.49Å; A459-Y462 PolarHBondContact O-N 3.27Å; A459-Y463 WeakPolarHBondContact O-CB 3.47Å; A459-Y463 PolarHBondContact O-N 3.28Å
460L89.8Confident85.1Confident109 Ų10981.4 Ų81.457%0.57144%0.436SS*.Hα-helixtrans-62.8-42.9175.6-71173.4000111.8I456 V457 Y463 K464I456-L460 HydrophobicContact CG2-CD1 4.08Å; I456-L460 HydrophobicContact CG2-CG 4.5Å; I456-L460 VanDerWaalsContact O-CG 3.32Å; I456-L460 WeakPolarHBondContact O-CG 3.46Å; I456-L460 PolarHBondContact O-N 3.47Å; V457-L460 PolarHBondContact O-N 3.04Å; L460-Y463 PolarHBondContact O-N 2.87Å; L460-K464 WeakPolarHBondContact O-CB 3.25Å; L460-K464 WeakPolarHBondContact O-CG 3.31Å; L460-K464 PolarHBondContact O-N 2.97Å
461V87.3Confident83.1Confident66 Ų6678.9 Ų78.940%0.443%0.432SS..Hα-helixtrans-66-44.1175.9174.70000110.8S9 V457 A458 Y463 K464 V465S9-V461 WeakPolarHBondContact OG-CG1 3.37Å; V457-V461 WeakPolarHBondContact O-CG2 3.37Å; V457-V461 PolarHBondContact O-N 3.1Å; A458-V461 PolarHBondContact O-N 3.22Å; V461-Y463 VanDerWaalsContact C-N 3.35Å; V461-Y463 PolarHBondContact O-N 2.79Å; V461-K464 PolarHBondContact O-N 3.02Å; V461-V465 HydrophobicContact CG1-CG2 4.21Å; V461-V465 WeakPolarHBondContact O-CB 3.4Å; V461-V465 VanDerWaalsContact O-CG2 3.27Å; V461-V465 WeakPolarHBondContact O-CG2 3.45Å; V461-V465 PolarHBondContact O-N 3.32Å
462Y87.3Confident80.9Confident80 Ų8089 Ų8931%0.31447%0.47SS..Hα-helixtrans-59.5-45.2176.6-178.1-93.9000111.6I13 A458 A459 V465 R466I13-Y462 HydrophobicContact CD1-CG 4.48Å; A458-Y462 VanDerWaalsContact O-CB 3.25Å; A458-Y462 WeakPolarHBondContact O-CB 3.27Å; A458-Y462 PolarHBondContact O-N 3.02Å; A459-Y462 PolarHBondContact O-N 3.27Å; Y462-V465 PolarHBondContact O-N 2.97Å; Y462-R466 VanDerWaalsContact O-CB 3.31Å; Y462-R466 WeakPolarHBondContact O-CB 3.38Å; Y462-R466 PolarHBondContact O-N 2.97Å
463Y86.8Confident78.6Confident176 Ų17686.2 Ų86.269%0.6947%0.465SS*.Hα-helixtrans-62.4-47.2176.9-173-92.4000111.7A459 L460 V461 R466 A467A459-Y463 WeakPolarHBondContact O-CB 3.47Å; A459-Y463 PolarHBondContact O-N 3.28Å; L460-Y463 PolarHBondContact O-N 2.87Å; V461-Y463 VanDerWaalsContact C-N 3.35Å; V461-Y463 PolarHBondContact O-N 2.79Å; Y463-R466 PolarHBondContact O-N 3.34Å; Y463-A467 WeakPolarHBondContact O-CB 3.46Å; Y463-A467 PolarHBondContact O-N 3.41Å
464K86Confident76.1Confident153 Ų15389.6 Ų89.667%0.66548%0.476SS*.Hα-helixtrans-59.3-48.7175.8-80.2-173.6175.2-177.90112L460 V461 R466 A467 T468L460-K464 WeakPolarHBondContact O-CB 3.25Å; L460-K464 WeakPolarHBondContact O-CG 3.31Å; L460-K464 PolarHBondContact O-N 2.97Å; V461-K464 PolarHBondContact O-N 3.02Å; K464-R466 VanDerWaalsContact C-N 3.31Å; K464-R466 PolarHBondContact O-N 3.31Å; K464-A467 PolarHBondContact O-N 3.12Å; K464-T468 PolarHBondContact O-N 3.03Å; K464-T468 PolarHBondContact O-OG1 3.17Å
465V83Confident73.9Confident42 Ų4292.8 Ų92.826%0.25549%0.49SS..Hα-helixtrans-61.7-40.1179.8171.20000111.2K5 V461 Y462 T468 S469K5-V465 HydrophobicContact CB-CG1 4.42Å; K5-V465 HydrophobicContact CB-CG2 4.39Å; V461-V465 HydrophobicContact CG1-CG2 4.21Å; V461-V465 WeakPolarHBondContact O-CB 3.4Å; V461-V465 VanDerWaalsContact O-CG2 3.27Å; V461-V465 WeakPolarHBondContact O-CG2 3.45Å; V461-V465 PolarHBondContact O-N 3.32Å; Y462-V465 PolarHBondContact O-N 2.97Å; V465-T468 PolarHBondContact O-N 2.98Å; V465-S469 PolarHBondContact O-N 3Å; V465-S469 PolarHBondContact O-OG 3.47Å
466R77.6Confident71.5Confident157 Ų15794.8 Ų94.859%0.59251%0.505SS*.Hα-helixtrans-68.8-40.5177.4-167.2174.5179.2177.1-1.7112.3Y462 Y463 K464 S469 S470Y462-R466 VanDerWaalsContact O-CB 3.31Å; Y462-R466 WeakPolarHBondContact O-CB 3.38Å; Y462-R466 PolarHBondContact O-N 2.97Å; Y463-R466 PolarHBondContact O-N 3.34Å; K464-R466 VanDerWaalsContact C-N 3.31Å; K464-R466 PolarHBondContact O-N 3.31Å; R466-S469 WeakPolarHBondContact CA-OG 3.43Å; R466-S469 PolarHBondContact O-N 3.43Å; R466-S469 PolarHBondContact O-OG 3.22Å; R466-S470 WeakPolarHBondContact O-CB 3.24Å; R466-S470 PolarHBondContact O-N 3.44Å
467A76Confident69.2Low52 Ų5296.6 Ų96.643%0.4351%0.511SS..Hα-helixtrans-61.9-43.1174.400000111.7Y463 K464 S470 G471Y463-A467 WeakPolarHBondContact O-CB 3.46Å; Y463-A467 PolarHBondContact O-N 3.41Å; K464-A467 PolarHBondContact O-N 3.12Å; A467-S470 PolarHBondContact O-N 3.06Å; A467-G471 PolarHBondContact O-N 3.38Å
468T69.4Low66.9Low104 Ų10495 Ų9564%0.63851%0.511SS*.Hα-helixtrans-66.8-36176.5-430000112.4K464 V465 R472K464-T468 PolarHBondContact O-N 3.03Å; K464-T468 PolarHBondContact O-OG1 3.17Å; V465-T468 PolarHBondContact O-N 2.98Å; T468-R472 PolarHBondContact O-N 2.82Å
469S60.6Low64.7Low77 Ų77102.8 Ų102.854%0.53854%0.544SS..Hα-helixtrans-69.9-31.8173.759.90000113.4V465 R466V465-S469 PolarHBondContact O-N 3Å; V465-S469 PolarHBondContact O-OG 3.47Å; R466-S469 WeakPolarHBondContact CA-OG 3.43Å; R466-S469 PolarHBondContact O-N 3.43Å; R466-S469 PolarHBondContact O-OG 3.22Å
470S56.4Low62.5Low88 Ų88107.2 Ų107.262%0.61556%0.557SS**Hα-helixtrans-77.1-30.3178.3-169.60000112.9R466 A467R466-S470 WeakPolarHBondContact O-CB 3.24Å; R466-S470 PolarHBondContact O-N 3.44Å; A467-S470 PolarHBondContact O-N 3.06Å
471G52.8Low60.4Low37 Ų37105.5 Ų105.538%0.38156%0.559SS.*Hα-helixtrans-67.6-38.6173.300000112.6A467 G473 K474A467-G471 PolarHBondContact O-N 3.38Å; G471-G473 PolarHBondContact O-N 3.41Å; G471-K474 PolarHBondContact O-N 3.15Å; G471-K474 VanDerWaalsContact O-N 3.1Å
472R49.8Very low58.3Low211 Ų211109 Ų10980%0.79657%0.571SS**THydrogen-bonded Turntrans-67.7-19-179.2-141.4172-170.2163.52.2114.4T468T468-R472 PolarHBondContact O-N 2.82Å
473G45.1Very low56.3Low38 Ų38109.7 Ų109.739%0.39258%0.58SS.*THydrogen-bonded Turntrans-87.3-12.8173.900000114.7G471 S476G471-G473 PolarHBondContact O-N 3.41Å; G473-S476 PolarHBondContact O-OG 3.04Å
474K42.7Very low54.3Low173 Ų173109.9 Ų109.975%0.75258%0.584SS**THydrogen-bonded Turntrans-85.6-32.9172.8-96-177.1173.9-178.70112.3G471 S476 H477G471-K474 PolarHBondContact O-N 3.15Å; G471-K474 VanDerWaalsContact O-N 3.1Å; K474-S476 VanDerWaalsContact C-N 3.29Å; K474-S476 PolarHBondContact O-N 3.27Å; K474-H477 PolarHBondContact O-N 3.2Å
475D45.5Very low52.3Low126 Ų126107.5 Ų107.567%0.67459%0.587SS**Hα-helixtrans-70.8-23.4177.9-66.7-23.3000113.2
476S43.3Very low50.5Low72 Ų72113.3 Ų113.350%0.50361%0.613SS.*Hα-helixtrans-76.5-20.6176.249.60000114.3G473 K474G473-S476 PolarHBondContact O-OG 3.04Å; K474-S476 VanDerWaalsContact C-N 3.29Å; K474-S476 PolarHBondContact O-N 3.27Å
477H44.5Very low49Very low140 Ų140114.9 Ų114.965%0.64862%0.619SS**Hα-helixtrans-89.1-11.4174.3-85.9-51.6000113.7K474 E480K474-H477 PolarHBondContact O-N 3.2Å; H477-E480 IonicContact ND1-OE2 2.72Å
478G40.9Very low47.6Very low45 Ų45123.3 Ų123.346%0.46464%0.642SS.*Hα-helixtrans-76.7-24.6172.800000113.9
479F44.5Very low46.5Very low170 Ų170123.9 Ų123.975%0.74665%0.649SS**Hα-helixtrans-87.7-23.7-177.1-116.4-91.1000114.1
480E43.3Very low45.8Very low135 Ų135129.4 Ų129.463%0.63167%0.667SS**Hα-helixtrans-79.6-18.3176.4-85.5-175.5145.100113.9H477H477-E480 IonicContact ND1-OE2 2.72Å
481A45.6Very low45.3Very low74 Ų74134.4 Ų134.461%0.61268%0.678SS**Hα-helixtrans-80.8-21.917700000113.1
482Q42.9Very low44.8Very low138 Ų138140.9 Ų140.965%0.64570%0.703SS**Hα-helixtrans-88.1-26-179.9-118.4171.3-17.800113.5
483D45Very low44.3Very low96 Ų96143.3 Ų143.351%0.51373%0.727SS.*Hα-helixtrans-80.1-19.3177.6-166.340.4000113.5R487D483-R487 IonicContact OD2-NH2 3.25Å; D483-R487 PolarHBondContact OD2-NH2 3.25Å
484K44.4Very low44.2Very low180 Ų180148.6 Ų148.678%0.78374%0.744SS**SBendtrans-84.3-17174.6-83.4-176.7178.2174.60114.5
485S44.8Very low44.3Very low102 Ų102147.3 Ų147.371%0.71374%0.743SS**SBendtrans-82.6-16.6177.3-179.70000113.5
486M45.2Very low44.3Very low165 Ų165148.5 Ų148.581%0.81375%0.747SS**SBendtrans-103.58.2-172.7-139.3179-71.600113.6
487R46.5Very low44.3Very low190 Ų190153 Ų15372%0.71776%0.762SS**SBendtrans-114.814.3-176.7-124.2-173.1-81.5-158.6-1.2115.2D483D483-R487 IonicContact OD2-NH2 3.25Å; D483-R487 PolarHBondContact OD2-NH2 3.25Å
488Y46.1Very low44.3Very low229 Ų229153.8 Ų153.890%0.89877%0.769SS**SBendtrans-120.49.8178.1-116.4-84.2000114.9
489S47.2Very low44.5Very low115 Ų115161.1 Ų161.180%0.80479%0.789SS**SBendtrans-124.241.8-178.8-170.40000113
490E44.8Very low44.5Very low194 Ų194160.4 Ų160.491%0.90779%0.792SS**  trans-148.160.7170.5-133.1173.9-168.100110.4
491K45.3Very low44.6Very low193 Ų193162.4 Ų162.484%0.83981%0.805SS**  trans-151.386.4161.2-100.2-173.4178-179.40105.9
492D43.8Very low44.5Very low172 Ų172169.8 Ų169.892%0.9282%0.821SS**  trans167.384.3152-82.4-18.4000108.4
493M38.5Very low44.7Very low263 Ų263172.6 Ų172.6100%1.29684%0.837SS**  trans-1730132.9-162.1159.967.300110.7

Retrieved 493 of 493 residues in 1200.4 ms (Link to these results)

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