A0A5K4FGT2_SCHMA Loading...

Nuclear pore complex protein Nup85

AlphaFold DB , UniProt , Accession A0A5K4FGT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 313 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
1M37.2Very low61.9Low235 Ų235100 Ų100100%1.15850%0.502SS*.  0100.20-83.3179.9-104.100105.5N3M1-N3 PolarHBondContact O-N 3.11Å
2E40.6Very low63.1Low158 Ų15892.2 Ų92.274%0.73846%0.463SS*.  trans-53.5129.2164.4-81.2177.4163.300107I4 Q7E2-I4 PolarHBondContact O-N 3.48Å; E2-Q7 PolarHBondContact OE2-NE2 2.92Å
3N56.7Low63.9Low70 Ų7087.8 Ų87.837%0.37445%0.445SS..  trans-63.1105.1-165.9-169.6-0.5000108.3M1 N5 E6 Q7M1-N3 PolarHBondContact O-N 3.11Å; N3-N5 PolarHBondContact O-N 3.41Å; N3-N5 WeakPolarHBondContact OD1-CB 3.47Å; N3-N5 PolarHBondContact OD1-ND2 3.07Å; N3-E6 HydrophobicContact CB-CB 4.17Å; N3-E6 HydrophobicContact CB-CG 3.9Å; N3-E6 WeakPolarHBondContact CB-OE1 3.28Å; N3-E6 PolarHBondContact ND2-OE1 3.23Å; N3-E6 WeakPolarHBondContact O-CB 3.41Å; N3-E6 PolarHBondContact O-N 3.42Å; N3-Q7 PolarHBondContact O-N 3.28Å
4I61.9Low64.9Low106 Ų10690.5 Ų90.554%0.54445%0.452SS..Hα-helixtrans-49.7-33.8179.8-70.1169.6000110.3E2 E6 Q7 I8E2-I4 PolarHBondContact O-N 3.48Å; I4-E6 PolarHBondContact O-N 3.41Å; I4-Q7 PolarHBondContact O-N 3.1Å; I4-I8 HydrophobicContact CG2-CD1 3.72Å; I4-I8 HydrophobicContact CG2-CG1 4.37Å; I4-I8 WeakPolarHBondContact O-CG1 3.33Å; I4-I8 PolarHBondContact O-N 3.28Å
5N65Low66.1Low99 Ų9984.6 Ų84.653%0.52942%0.423SS..Hα-helixtrans-62.6-37.9175.7-59.2-29.7000113.5N3 T9N3-N5 PolarHBondContact O-N 3.41Å; N3-N5 WeakPolarHBondContact OD1-CB 3.47Å; N3-N5 PolarHBondContact OD1-ND2 3.07Å; N5-T9 WeakPolarHBondContact O-CB 3.49Å; N5-T9 PolarHBondContact O-N 3.37Å; N5-T9 PolarHBondContact O-OG1 2.83Å
6E66.7Low66.7Low116 Ų11679.8 Ų79.854%0.54240%0.399SS..Hα-helixtrans-68.8-41.9177.6-75.2166.3-150.200111.3N3 I4 T9 I10N3-E6 HydrophobicContact CB-CB 4.17Å; N3-E6 HydrophobicContact CB-CG 3.9Å; N3-E6 WeakPolarHBondContact CB-OE1 3.28Å; N3-E6 PolarHBondContact ND2-OE1 3.23Å; N3-E6 WeakPolarHBondContact O-CB 3.41Å; N3-E6 PolarHBondContact O-N 3.42Å; I4-E6 PolarHBondContact O-N 3.41Å; E6-T9 PolarHBondContact O-N 2.84Å; E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.47Å; E6-I10 PolarHBondContact O-N 3.36Å
7Q67.7Low67.2Low99 Ų9980.3 Ų80.346%0.46340%0.4SS..Hα-helixtrans-64.1-45.7177.1-67.6-175.2-1.200111.3E2 N3 I4 T9 I10 L11E2-Q7 PolarHBondContact OE2-NE2 2.92Å; N3-Q7 PolarHBondContact O-N 3.28Å; I4-Q7 PolarHBondContact O-N 3.1Å; Q7-T9 VanDerWaalsContact C-N 3.31Å; Q7-T9 PolarHBondContact O-N 3.38Å; Q7-I10 PolarHBondContact O-N 3.32Å; Q7-L11 WeakPolarHBondContact O-CB 3.14Å; Q7-L11 VanDerWaalsContact O-CG 3.25Å; Q7-L11 WeakPolarHBondContact O-CG 3.37Å; Q7-L11 PolarHBondContact O-N 2.85Å
8I70Confident68.2Low24 Ų2476.8 Ų76.812%0.12338%0.382CS..Hα-helixtrans-59.5-43.6175.1-68169.5000110.5I4 I10 L11 L12 I48 L52 V60I4-I8 HydrophobicContact CG2-CD1 3.72Å; I4-I8 HydrophobicContact CG2-CG1 4.37Å; I4-I8 WeakPolarHBondContact O-CG1 3.33Å; I4-I8 PolarHBondContact O-N 3.28Å; I8-I10 PolarHBondContact O-N 3.45Å; I8-L11 PolarHBondContact O-N 3.32Å; I8-L12 HydrophobicContact CG2-CD1 3.82Å; I8-L12 HydrophobicContact CG2-CG 4.25Å; I8-L12 WeakPolarHBondContact O-CB 3.21Å; I8-L12 VanDerWaalsContact O-CG 3.28Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 2.96Å; I8-I48 HydrophobicContact CG1-CG2 4.38Å; I8-L52 HydrophobicContact CD1-CD2 4.14Å; I8-V60 HydrophobicContact CG2-CG2 4.34Å
9T68.5Low68.9Low53 Ų5373.2 Ų73.233%0.32536%0.364SS..Hα-helixtrans-60.5-47.2178.1-60.10000111.7N5 E6 Q7 L11 L12 C13 F63N5-T9 WeakPolarHBondContact O-CB 3.49Å; N5-T9 PolarHBondContact O-N 3.37Å; N5-T9 PolarHBondContact O-OG1 2.83Å; E6-T9 PolarHBondContact O-N 2.84Å; Q7-T9 VanDerWaalsContact C-N 3.31Å; Q7-T9 PolarHBondContact O-N 3.38Å; T9-L11 VanDerWaalsContact C-N 3.32Å; T9-L11 PolarHBondContact O-N 2.81Å; T9-L12 PolarHBondContact O-N 3.12Å; T9-C13 PolarHBondContact O-N 3.34Å; T9-C13 PolarHBondContact O-SG 2.87Å; T9-C13 VanDerWaalsContact O-SG 3.37Å; T9-F63 HydrophobicContact CG2-CD2 4.15Å; T9-F63 HydrophobicContact CG2-CE2 3.51Å; T9-F63 HydrophobicContact CG2-CZ 3.77Å
10I71.3Confident69.3Low95 Ų9571.5 Ų71.549%0.48736%0.355SS..Hα-helixtrans-61.5-43177.9-69.3165000110.8E6 Q7 I8 C13 K14E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.47Å; E6-I10 PolarHBondContact O-N 3.36Å; Q7-I10 PolarHBondContact O-N 3.32Å; I8-I10 PolarHBondContact O-N 3.45Å; I10-C13 WeakPolarHBondContact O-CB 3.28Å; I10-C13 PolarHBondContact O-N 2.9Å; I10-K14 HydrophobicContact CG2-CD 4.47Å; I10-K14 WeakPolarHBondContact O-CG 3.48Å; I10-K14 PolarHBondContact O-N 3.04Å
11L75.7Confident69.8Low45 Ų4568.9 Ų68.924%0.23635%0.345CS..Hα-helixtrans-62.5-44.9177.7-75.2173.8000111.4Q7 I8 T9 K14 F15 F41 I45 I48Q7-L11 WeakPolarHBondContact O-CB 3.14Å; Q7-L11 VanDerWaalsContact O-CG 3.25Å; Q7-L11 WeakPolarHBondContact O-CG 3.37Å; Q7-L11 PolarHBondContact O-N 2.85Å; I8-L11 PolarHBondContact O-N 3.32Å; T9-L11 VanDerWaalsContact C-N 3.32Å; T9-L11 PolarHBondContact O-N 2.81Å; L11-K14 PolarHBondContact O-N 2.92Å; L11-F15 WeakPolarHBondContact O-CB 3.47Å; L11-F15 PolarHBondContact O-N 2.88Å; L11-F41 HydrophobicContact CD2-CE2 3.8Å; L11-I45 HydrophobicContact CB-CD1 3.61Å; L11-I45 HydrophobicContact CD2-CD1 4.31Å; L11-I45 HydrophobicContact CG-CD1 4.39Å; L11-I48 HydrophobicContact CD1-CD1 3.73Å
12L76Confident71.9Confident6 Ų657.7 Ų57.73%0.03129%0.29CS..Hα-helixtrans-63.7-41.4175.5-70.8173.2000111.9I8 T9 K14 F15 V16 I45 V60 F63 L83I8-L12 HydrophobicContact CG2-CD1 3.82Å; I8-L12 HydrophobicContact CG2-CG 4.25Å; I8-L12 WeakPolarHBondContact O-CB 3.21Å; I8-L12 VanDerWaalsContact O-CG 3.28Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 2.96Å; T9-L12 PolarHBondContact O-N 3.12Å; L12-K14 PolarHBondContact O-N 2.83Å; L12-F15 PolarHBondContact O-N 2.86Å; L12-V16 WeakPolarHBondContact O-CB 3.36Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 3.31Å; L12-I45 HydrophobicContact CD2-CG2 4.42Å; L12-V60 HydrophobicContact CD1-CB 4.39Å; L12-V60 HydrophobicContact CD1-CG1 3.79Å; L12-V60 HydrophobicContact CD1-CG2 3.95Å; L12-V60 HydrophobicContact CD2-CG1 4.44Å; L12-F63 HydrophobicContact CB-CD1 4.22Å; L12-F63 HydrophobicContact CB-CE1 3.76Å; L12-F63 HydrophobicContact CD1-CD1 3.92Å; L12-F63 HydrophobicContact CD1-CE1 4.3Å; L12-L83 HydrophobicContact CD2-CD1 3.79Å; L12-L83 HydrophobicContact CD2-CD2 3.98Å
13C72.8Confident73.7Confident35 Ų3554.5 Ų54.524%0.23628%0.281CS..Hα-helixtrans-57.3-49.2172.5-74.60000111.5T9 I10 F15 V16 H17T9-C13 PolarHBondContact O-N 3.34Å; T9-C13 PolarHBondContact O-SG 2.87Å; T9-C13 VanDerWaalsContact O-SG 3.37Å; I10-C13 WeakPolarHBondContact O-CB 3.28Å; I10-C13 PolarHBondContact O-N 2.9Å; C13-F15 VanDerWaalsContact C-N 3.28Å; C13-F15 PolarHBondContact O-N 3.24Å; C13-V16 WeakPolarHBondContact O-CB 3.44Å; C13-V16 PolarHBondContact O-N 3.19Å; C13-H17 PolarHBondContact O-CD2 2.69Å; C13-H17 PolarHBondContact O-N 3.39Å
14K79.1Confident74.7Confident126 Ų12653.8 Ų53.855%0.54828%0.275SS..Hα-helixtrans-60.9-39.6178.5-74.5-179.5178.6-176.70111.9I10 L11 L12 H17 F18 F41I10-K14 HydrophobicContact CG2-CD 4.47Å; I10-K14 WeakPolarHBondContact O-CG 3.48Å; I10-K14 PolarHBondContact O-N 3.04Å; L11-K14 PolarHBondContact O-N 2.92Å; L12-K14 PolarHBondContact O-N 2.83Å; K14-H17 PolarHBondContact O-N 3.09Å; K14-F18 WeakPolarHBondContact O-CB 3.31Å; K14-F18 PolarHBondContact O-N 2.82Å; K14-F41 HydrophobicContact CB-CE1 4.25Å; K14-F41 HydrophobicContact CB-CE2 4.48Å; K14-F41 HydrophobicContact CB-CZ 3.67Å
15F82Confident75.5Confident2 Ų251.5 Ų51.51%0.00926%0.26CS..Hα-helixtrans-65.2-43.7175.9-177.2-118.6000112.5L11 L12 C13 H17 F18 L19 F41 T42 I45 L83 A86 W89L11-F15 WeakPolarHBondContact O-CB 3.47Å; L11-F15 PolarHBondContact O-N 2.88Å; L12-F15 PolarHBondContact O-N 2.86Å; C13-F15 VanDerWaalsContact C-N 3.28Å; C13-F15 PolarHBondContact O-N 3.24Å; F15-H17 PolarHBondContact O-N 3.46Å; F15-F18 HydrophobicContact CD2-CD1 4.15Å; F15-F18 HydrophobicContact CE2-CD1 4.17Å; F15-F18 WeakPolarHBondContact O-CB 3.4Å; F15-F18 PolarHBondContact O-N 3.42Å; F15-L19 HydrophobicContact CD1-CD1 3.79Å; F15-L19 HydrophobicContact CD2-CD1 4.42Å; F15-L19 HydrophobicContact CD2-CG 4.35Å; F15-L19 HydrophobicContact CE1-CD1 3.3Å; F15-L19 HydrophobicContact CE1-CG 4.13Å; F15-L19 HydrophobicContact CE2-CD1 3.96Å; F15-L19 HydrophobicContact CE2-CD2 4.08Å; F15-L19 HydrophobicContact CE2-CG 3.86Å; F15-L19 HydrophobicContact CG-CD1 4.33Å; F15-L19 HydrophobicContact CZ-CD1 3.4Å; F15-L19 HydrophobicContact CZ-CD2 3.91Å; F15-L19 HydrophobicContact CZ-CG 3.76Å; F15-L19 WeakPolarHBondContact O-CG 3.28Å; F15-L19 PolarHBondContact O-N 3.1Å; F15-F41 HydrophobicContact CB-CE1 4.1Å; F15-F41 HydrophobicContact CB-CZ 4.35Å; F15-F41 HydrophobicContact CD2-CE1 4.42Å; F15-T42 HydrophobicContact CD2-CG2 4.16Å; F15-T42 HydrophobicContact CE2-CG2 3.39Å; F15-T42 HydrophobicContact CZ-CG2 4.02Å; F15-I45 HydrophobicContact CB-CD1 4.49Å; F15-I45 HydrophobicContact CB-CG1 4.18Å; F15-I45 HydrophobicContact CD1-CG2 4.34Å; F15-I45 HydrophobicContact CD2-CG1 4.46Å; F15-I45 HydrophobicContact CG-CG1 4.32Å; F15-I45 HydrophobicContact CG-CG2 4.38Å; F15-L83 HydrophobicContact CD1-CD2 3.69Å; F15-L83 HydrophobicContact CE1-CD2 3.58Å; F15-A86 HydrophobicContact CE1-CB 4.03Å; F15-A86 HydrophobicContact CE2-CB 4.17Å; F15-A86 HydrophobicContact CZ-CB 3.59Å; F15-W89 HydrophobicContact CE1-CE3 4.08Å; F15-W89 AromaticContact CE1-CZ3 3.87Å; F15-W89 HydrophobicContact CE1-CZ3 3.87Å; F15-W89 HydrophobicContact CZ-CE3 4.1Å; F15-W89 HydrophobicContact CZ-CZ3 4.28Å
16V75.7Confident76.1Confident7 Ų748.6 Ų48.64%0.04225%0.246CC..Hα-helixtrans-55.4-49.7172.7160.10000111.2L12 C13 F18 L19 Q20 M67 F74L12-V16 WeakPolarHBondContact O-CB 3.36Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 3.31Å; C13-V16 WeakPolarHBondContact O-CB 3.44Å; C13-V16 PolarHBondContact O-N 3.19Å; V16-F18 VanDerWaalsContact C-N 3.35Å; V16-F18 PolarHBondContact O-N 3.26Å; V16-L19 PolarHBondContact O-N 2.99Å; V16-Q20 PolarHBondContact O-N 3.12Å; V16-M67 HydrophobicContact CG1-CE 4.42Å; V16-F74 HydrophobicContact CB-CD2 4.4Å; V16-F74 HydrophobicContact CB-CE2 3.72Å; V16-F74 HydrophobicContact CB-CZ 3.8Å; V16-F74 HydrophobicContact CG1-CD1 4.44Å; V16-F74 HydrophobicContact CG1-CD2 3.58Å; V16-F74 HydrophobicContact CG1-CE1 4.27Å; V16-F74 HydrophobicContact CG1-CE2 3.41Å; V16-F74 VanDerWaalsContact CG1-CE2 3.41Å; V16-F74 HydrophobicContact CG1-CG 4.1Å; V16-F74 HydrophobicContact CG1-CZ 3.76Å; V16-F74 HydrophobicContact CG2-CE1 3.82Å; V16-F74 HydrophobicContact CG2-CE2 3.76Å; V16-F74 HydrophobicContact CG2-CZ 3.25Å
17H76.4Confident76.9Confident89 Ų8943 Ų4341%0.41222%0.22SC..Hα-helixtrans-62.4-41.5177.4-84-79.5000112.4C13 K14 F15 Q20 A21C13-H17 PolarHBondContact O-CD2 2.69Å; C13-H17 PolarHBondContact O-N 3.39Å; K14-H17 PolarHBondContact O-N 3.09Å; F15-H17 PolarHBondContact O-N 3.46Å; H17-Q20 PolarHBondContact O-N 3.1Å; H17-A21 WeakPolarHBondContact O-CB 3.43Å; H17-A21 PolarHBondContact O-N 3.35Å
18F84.9Confident77.6Confident17 Ų1743 Ų438%0.07522%0.219CC..Hα-helixtrans-59.9-50.7176166.2-113.1000111.3K14 F15 V16 Q20 A21 T22 W30 A38 T42 A90 L94K14-F18 WeakPolarHBondContact O-CB 3.31Å; K14-F18 PolarHBondContact O-N 2.82Å; F15-F18 HydrophobicContact CD2-CD1 4.15Å; F15-F18 HydrophobicContact CE2-CD1 4.17Å; F15-F18 WeakPolarHBondContact O-CB 3.4Å; F15-F18 PolarHBondContact O-N 3.42Å; V16-F18 VanDerWaalsContact C-N 3.35Å; V16-F18 PolarHBondContact O-N 3.26Å; F18-Q20 VanDerWaalsContact C-N 3.29Å; F18-Q20 PolarHBondContact O-N 3.44Å; F18-A21 CarbonylContact O-C 3.56Å; F18-A21 WeakPolarHBondContact O-CA 3.21Å; F18-A21 WeakPolarHBondContact O-CB 3.29Å; F18-A21 PolarHBondContact O-N 2.99Å; F18-T22 HydrophobicContact CD2-CG2 4.13Å; F18-T22 HydrophobicContact CE1-CG2 4.06Å; F18-T22 HydrophobicContact CE2-CG2 3.62Å; F18-T22 HydrophobicContact CZ-CG2 3.59Å; F18-T22 WeakPolarHBondContact O-CG2 3.29Å; F18-T22 PolarHBondContact O-N 2.98Å; F18-W30 AromaticContact CD2-CH2 3.88Å; F18-W30 HydrophobicContact CD2-CH2 3.88Å; F18-W30 HydrophobicContact CD2-CZ3 4.3Å; F18-W30 AromaticContact CE2-CH2 3.66Å; F18-W30 HydrophobicContact CE2-CH2 3.66Å; F18-W30 AromaticContact CE2-CZ3 3.62Å; F18-W30 HydrophobicContact CE2-CZ3 3.62Å; F18-A38 HydrophobicContact CD2-CB 3.91Å; F18-A38 HydrophobicContact CE1-CB 4.47Å; F18-A38 HydrophobicContact CE2-CB 3.34Å; F18-A38 HydrophobicContact CZ-CB 3.67Å; F18-T42 WeakPolarHBondContact CE1-OG1 3.34Å; F18-A90 HydrophobicContact CE1-CB 3.71Å; F18-A90 HydrophobicContact CZ-CB 4.37Å; F18-L94 HydrophobicContact CZ-CD1 4.38Å
19L81.4Confident78.4Confident9 Ų949.3 Ų49.35%0.04724%0.241CC..Hα-helixtrans-62.2-34.6178-71.7168.8000113.3F15 V16 A21 T22 W89 A90F15-L19 HydrophobicContact CD1-CD1 3.79Å; F15-L19 HydrophobicContact CD2-CD1 4.42Å; F15-L19 HydrophobicContact CD2-CG 4.35Å; F15-L19 HydrophobicContact CE1-CD1 3.3Å; F15-L19 HydrophobicContact CE1-CG 4.13Å; F15-L19 HydrophobicContact CE2-CD1 3.96Å; F15-L19 HydrophobicContact CE2-CD2 4.08Å; F15-L19 HydrophobicContact CE2-CG 3.86Å; F15-L19 HydrophobicContact CG-CD1 4.33Å; F15-L19 HydrophobicContact CZ-CD1 3.4Å; F15-L19 HydrophobicContact CZ-CD2 3.91Å; F15-L19 HydrophobicContact CZ-CG 3.76Å; F15-L19 WeakPolarHBondContact O-CG 3.28Å; F15-L19 PolarHBondContact O-N 3.1Å; V16-L19 PolarHBondContact O-N 2.99Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-T22 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 2.81Å; L19-W89 HydrophobicContact CD1-CD2 4.41Å; L19-W89 HydrophobicContact CD1-CE3 3.75Å; L19-W89 HydrophobicContact CD1-CH2 3.27Å; L19-W89 HydrophobicContact CD1-CZ2 4.05Å; L19-W89 HydrophobicContact CD1-CZ3 3.15Å; L19-W89 HydrophobicContact CD2-CD2 4.35Å; L19-W89 HydrophobicContact CD2-CE3 4.32Å; L19-W89 HydrophobicContact CD2-CZ3 4.48Å; L19-W89 HydrophobicContact CG-CH2 4.46Å; L19-W89 HydrophobicContact CG-CZ3 4.41Å; L19-A90 HydrophobicContact CD2-CB 4.25Å
20Q76.2Confident79.4Confident38 Ų3848.1 Ų48.118%0.17823%0.231CC..Hα-helixtrans-63.1-47172.1-177.1179-700109.8V16 H17 F18 T22 T23 Q24V16-Q20 PolarHBondContact O-N 3.12Å; H17-Q20 PolarHBondContact O-N 3.1Å; F18-Q20 VanDerWaalsContact C-N 3.29Å; F18-Q20 PolarHBondContact O-N 3.44Å; Q20-T22 VanDerWaalsContact C-N 3.3Å; Q20-T22 PolarHBondContact O-N 3.08Å; Q20-T23 PolarHBondContact O-N 3.46Å; Q20-T23 VanDerWaalsContact O-N 3.11Å; Q20-T23 PolarHBondContact O-OG1 2.88Å; Q20-Q24 WeakPolarHBondContact O-CG 3.43Å
21A79.7Confident80.4Confident18 Ų1847.7 Ų47.715%0.14923%0.232CC..Hα-helixtrans-64.6-31.9-179.800000112.7H17 F18 L19 T23 Q24 V26 V27 W30H17-A21 WeakPolarHBondContact O-CB 3.43Å; H17-A21 PolarHBondContact O-N 3.35Å; F18-A21 CarbonylContact O-C 3.56Å; F18-A21 WeakPolarHBondContact O-CA 3.21Å; F18-A21 WeakPolarHBondContact O-CB 3.29Å; F18-A21 PolarHBondContact O-N 2.99Å; L19-A21 VanDerWaalsContact C-N 3.34Å; A21-T23 PolarHBondContact O-N 3.05Å; A21-T23 VanDerWaalsContact O-N 3.15Å; A21-Q24 PolarHBondContact O-N 3.46Å; A21-V26 HydrophobicContact CB-CG1 4.12Å; A21-V27 WeakPolarHBondContact O-CG2 3.31Å; A21-W30 HydrophobicContact CB-CH2 4.07Å; A21-W30 HydrophobicContact CB-CZ2 3.62Å
22T82.7Confident81.2Confident0 Ų047 Ų470%023%0.232CC..Hα-helixtrans-63.7-17.4175.161.30000113.3F18 L19 Q20 W30 S93 L94 N97F18-T22 HydrophobicContact CD2-CG2 4.13Å; F18-T22 HydrophobicContact CE1-CG2 4.06Å; F18-T22 HydrophobicContact CE2-CG2 3.62Å; F18-T22 HydrophobicContact CZ-CG2 3.59Å; F18-T22 WeakPolarHBondContact O-CG2 3.29Å; F18-T22 PolarHBondContact O-N 2.98Å; L19-T22 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 2.81Å; Q20-T22 VanDerWaalsContact C-N 3.3Å; Q20-T22 PolarHBondContact O-N 3.08Å; T22-W30 HydrophobicContact CG2-CH2 3.71Å; T22-W30 HydrophobicContact CG2-CZ3 3.83Å; T22-S93 WeakPolarHBondContact OG1-CB 3.48Å; T22-S93 PolarHBondContact OG1-OG 3.33Å; T22-L94 HydrophobicContact CG2-CD1 4.42Å; T22-L94 HydrophobicContact CG2-CD2 3.75Å; T22-L94 HydrophobicContact CG2-CG 3.7Å; T22-N97 WeakPolarHBondContact O-CB 3.42Å; T22-N97 PolarHBondContact O-ND2 3.07Å
23T77Confident82Confident90 Ų9053 Ų5355%0.55226%0.259SS*.THydrogen-bonded Turntrans-93.3-6.4176.468.70000113.7Q20 A21Q20-T23 PolarHBondContact O-N 3.46Å; Q20-T23 VanDerWaalsContact O-N 3.11Å; Q20-T23 PolarHBondContact O-OG1 2.88Å; A21-T23 PolarHBondContact O-N 3.05Å; A21-T23 VanDerWaalsContact O-N 3.15Å
24Q78.3Confident82.9Confident55 Ų5555.7 Ų55.726%0.25727%0.267SS..SBendtrans-102.3168-171.4-67.5176.9-5.400112.7Q20 A21 V26 V27 N97Q20-Q24 WeakPolarHBondContact O-CG 3.43Å; A21-Q24 PolarHBondContact O-N 3.46Å; Q24-V26 HydrophobicContact CB-CG1 4.05Å; Q24-V26 PolarHBondContact O-N 3.44Å; Q24-V27 WeakPolarHBondContact O-CG2 3.32Å; Q24-V27 PolarHBondContact O-N 3.28Å; Q24-N97 PolarHBondContact O-ND2 2.92Å
25Y77.7Confident83.6Confident58 Ų5849.7 Ų49.723%0.22724%0.241CC..G310 helixtrans-62.8-23.8176.4177.5-101.4000113.5V27 K28 Y99Y25-V27 PolarHBondContact O-N 2.94Å; Y25-K28 HydrophobicContact CD2-CD 4.49Å; Y25-K28 HydrophobicContact CE1-CD 4.37Å; Y25-K28 HydrophobicContact CE2-CB 4.44Å; Y25-K28 HydrophobicContact CE2-CD 3.54Å; Y25-K28 VanDerWaalsContact CZ-CD 3.48Å; Y25-K28 WeakPolarHBondContact O-CB 3.15Å; Y25-K28 PolarHBondContact O-N 3.4Å; Y25-K28 VanDerWaalsContact OH-CD 3.27Å; Y25-K28 WeakPolarHBondContact OH-CD 3.43Å; Y25-K28 PolarHBondContact OH-NZ 3.39Å; Y25-Y99 AromaticContact CD2-CD1 3.65Å; Y25-Y99 HydrophobicContact CD2-CD1 3.65Å; Y25-Y99 AromaticContact CD2-CD2 3.93Å; Y25-Y99 HydrophobicContact CD2-CD2 3.93Å; Y25-Y99 AromaticContact CD2-CE1 3.72Å; Y25-Y99 HydrophobicContact CD2-CE1 3.72Å; Y25-Y99 AromaticContact CD2-CE2 3.98Å; Y25-Y99 HydrophobicContact CD2-CE2 3.98Å; Y25-Y99 AromaticContact CD2-CG 3.75Å; Y25-Y99 HydrophobicContact CD2-CG 3.75Å; Y25-Y99 AromaticContact CD2-CZ 3.87Å; Y25-Y99 AromaticContact CE2-CD1 3.9Å; Y25-Y99 HydrophobicContact CE2-CD1 3.9Å; Y25-Y99 HydrophobicContact CE2-CE1 4.03Å; Y25-Y99 HydrophobicContact CE2-CG 4.35Å
26V78.9Confident84.1Confident38 Ų3853.1 Ų53.123%0.2326%0.256CS..G310 helixtrans-54-28.2-179.571.60000113.1A21 Q24 K28 R29 W30A21-V26 HydrophobicContact CB-CG1 4.12Å; Q24-V26 HydrophobicContact CB-CG1 4.05Å; Q24-V26 PolarHBondContact O-N 3.44Å; V26-K28 PolarHBondContact O-N 2.94Å; V26-R29 PolarHBondContact O-N 2.84Å; V26-W30 HydrophobicContact CG1-CZ2 4.19Å; V26-W30 VanDerWaalsContact O-CD1 3.25Å
27V83Confident85Confident0 Ų056.4 Ų56.40%027%0.273CS..G310 helixtrans-54.1-28.2176.1179.10000112.7A21 Q24 Y25 R29 W30 L94 N97 L100A21-V27 WeakPolarHBondContact O-CG2 3.31Å; Q24-V27 WeakPolarHBondContact O-CG2 3.32Å; Q24-V27 PolarHBondContact O-N 3.28Å; Y25-V27 PolarHBondContact O-N 2.94Å; V27-R29 PolarHBondContact O-N 3.49Å; V27-W30 HydrophobicContact CB-CD2 4.36Å; V27-W30 HydrophobicContact CB-CE3 4.49Å; V27-W30 HydrophobicContact CG1-CD2 4.43Å; V27-W30 HydrophobicContact CG1-CE3 4.21Å; V27-W30 HydrophobicContact CG2-CD2 4.23Å; V27-W30 HydrophobicContact CG2-CE3 4.18Å; V27-W30 HydrophobicContact CG2-CH2 4.12Å; V27-W30 HydrophobicContact CG2-CZ2 4.13Å; V27-W30 HydrophobicContact CG2-CZ3 4.16Å; V27-W30 WeakPolarHBondContact O-CB 3.32Å; V27-W30 PolarHBondContact O-N 3.27Å; V27-W30 VanDerWaalsContact O-N 3.1Å; V27-L94 HydrophobicContact CG1-CD2 4.23Å; V27-N97 WeakPolarHBondContact CG2-ND2 3.28Å; V27-L100 HydrophobicContact CG1-CB 4.35Å; V27-L100 HydrophobicContact CG1-CD1 3.47Å; V27-L100 VanDerWaalsContact CG1-CD1 3.47Å
28K82.5Confident85.7Confident98 Ų9852.6 Ų52.643%0.42626%0.257SS..G310 helixtrans-60.3-29.2176.3-168.4178.5175.8176.80113.2Y25 V26Y25-K28 HydrophobicContact CD2-CD 4.49Å; Y25-K28 HydrophobicContact CE1-CD 4.37Å; Y25-K28 HydrophobicContact CE2-CB 4.44Å; Y25-K28 HydrophobicContact CE2-CD 3.54Å; Y25-K28 VanDerWaalsContact CZ-CD 3.48Å; Y25-K28 WeakPolarHBondContact O-CB 3.15Å; Y25-K28 PolarHBondContact O-N 3.4Å; Y25-K28 VanDerWaalsContact OH-CD 3.27Å; Y25-K28 WeakPolarHBondContact OH-CD 3.43Å; Y25-K28 PolarHBondContact OH-NZ 3.39Å; V26-K28 PolarHBondContact O-N 2.94Å
29R86.3Confident86.1Confident157 Ų15751.8 Ų51.859%0.59225%0.253SS*.G310 helixtrans-90.9-7.5-180-64.2-175.9178.5163.62.1112.9V26 V27 T31 D169V26-R29 PolarHBondContact O-N 2.84Å; V27-R29 PolarHBondContact O-N 3.49Å; R29-T31 PolarHBondContact O-N 2.95Å; R29-D169 IonicContact CZ-OD2 3.6Å; R29-D169 IonicContact NH1-OD1 3.65Å; R29-D169 IonicContact NH1-OD2 2.7Å; R29-D169 PolarHBondContact NH1-OD2 3.39Å
30W89.2Confident86.7Confident28 Ų2857 Ų5711%0.10628%0.276CS..  trans-69.6132.8-177.1-67.34000110.5F18 A21 T22 V26 V27 F34 I35 L94 N104F18-W30 AromaticContact CD2-CH2 3.88Å; F18-W30 HydrophobicContact CD2-CH2 3.88Å; F18-W30 HydrophobicContact CD2-CZ3 4.3Å; F18-W30 AromaticContact CE2-CH2 3.66Å; F18-W30 HydrophobicContact CE2-CH2 3.66Å; F18-W30 AromaticContact CE2-CZ3 3.62Å; F18-W30 HydrophobicContact CE2-CZ3 3.62Å; A21-W30 HydrophobicContact CB-CH2 4.07Å; A21-W30 HydrophobicContact CB-CZ2 3.62Å; T22-W30 HydrophobicContact CG2-CH2 3.71Å; T22-W30 HydrophobicContact CG2-CZ3 3.83Å; V26-W30 HydrophobicContact CG1-CZ2 4.19Å; V26-W30 VanDerWaalsContact O-CD1 3.25Å; V27-W30 HydrophobicContact CB-CD2 4.36Å; V27-W30 HydrophobicContact CB-CE3 4.49Å; V27-W30 HydrophobicContact CG1-CD2 4.43Å; V27-W30 HydrophobicContact CG1-CE3 4.21Å; V27-W30 HydrophobicContact CG2-CD2 4.23Å; V27-W30 HydrophobicContact CG2-CE3 4.18Å; V27-W30 HydrophobicContact CG2-CH2 4.12Å; V27-W30 HydrophobicContact CG2-CZ2 4.13Å; V27-W30 HydrophobicContact CG2-CZ3 4.16Å; V27-W30 WeakPolarHBondContact O-CB 3.32Å; V27-W30 PolarHBondContact O-N 3.27Å; V27-W30 VanDerWaalsContact O-N 3.1Å; W30-F34 HydrophobicContact CB-CD1 3.99Å; W30-F34 AromaticContact CD2-CD1 3.57Å; W30-F34 HydrophobicContact CD2-CD1 3.57Å; W30-F34 AromaticContact CD2-CE1 3.4Å; W30-F34 HydrophobicContact CD2-CE1 3.4Å; W30-F34 VanDerWaalsContact CD2-CE1 3.4Å; W30-F34 AromaticContact CE2-CE1 3.49Å; W30-F34 VanDerWaalsContact CE2-CE1 3.49Å; W30-F34 AromaticContact CE3-CD1 3.73Å; W30-F34 HydrophobicContact CE3-CD1 3.73Å; W30-F34 AromaticContact CE3-CE1 3.56Å; W30-F34 HydrophobicContact CE3-CE1 3.56Å; W30-F34 AromaticContact CG-CD1 3.7Å; W30-F34 HydrophobicContact CG-CD1 3.7Å; W30-F34 AromaticContact CG-CE1 3.93Å; W30-F34 HydrophobicContact CG-CE1 3.93Å; W30-F34 AromaticContact CH2-CE1 3.89Å; W30-F34 HydrophobicContact CH2-CE1 3.89Å; W30-F34 AromaticContact CZ2-CE1 3.76Å; W30-F34 HydrophobicContact CZ2-CE1 3.76Å; W30-F34 HydrophobicContact CZ2-CZ 4.35Å; W30-F34 HydrophobicContact CZ3-CD1 4.34Å; W30-F34 AromaticContact CZ3-CE1 3.77Å; W30-F34 HydrophobicContact CZ3-CE1 3.77Å; W30-I35 HydrophobicContact CB-CG1 4.34Å; W30-I35 HydrophobicContact CE3-CD1 4.5Å; W30-I35 HydrophobicContact CE3-CG1 3.99Å; W30-L94 HydrophobicContact CE3-CD2 4.13Å; W30-L94 HydrophobicContact CZ3-CD2 3.72Å; W30-N104 PolarHBondContact O-ND2 2.97Å
31T93.1Very high87.4Confident86 Ų8657.2 Ų57.253%0.52828%0.276SS..  trans-78.7156.7170.562.50000109.6R29 E33 F34 I35R29-T31 PolarHBondContact O-N 2.95Å; T31-E33 PolarHBondContact O-N 3.28Å; T31-F34 WeakPolarHBondContact O-CB 3.41Å; T31-F34 PolarHBondContact O-N 3.06Å; T31-F34 VanDerWaalsContact O-N 3.09Å; T31-F34 WeakPolarHBondContact OG1-CB 3.43Å; T31-F34 PolarHBondContact OG1-N 3.46Å; T31-F34 VanDerWaalsContact OG1-N 3.16Å; T31-I35 PolarHBondContact O-N 3.42Å; T31-I35 VanDerWaalsContact O-N 3.11Å
32S91.5Very high87.9Confident31 Ų3156.4 Ų56.422%0.21727%0.269CS..Hα-helixtrans-62.4-33.2174.8-49.70000111.6F34 I35 K36 T103 N104 C107S32-F34 PolarHBondContact O-N 3.39Å; S32-I35 PolarHBondContact O-N 2.91Å; S32-K36 WeakPolarHBondContact O-CG 3.49Å; S32-K36 PolarHBondContact O-N 3.08Å; S32-T103 WeakPolarHBondContact OG-CG2 3.5Å; S32-N104 WeakPolarHBondContact CA-OD1 3.3Å; S32-N104 PolarHBondContact N-OD1 3.18Å; S32-N104 PolarHBondContact OG-OD1 3.33Å; S32-C107 PolarHBondContact O-SG 3.16Å
33E93.3Very high88.3Confident132 Ų13257.8 Ų57.862%0.61728%0.281SS*.Hα-helixtrans-56.2-47.7170.6-170.281.3-154.600111.7T31 I35 K36 N37T31-E33 PolarHBondContact O-N 3.28Å; E33-I35 VanDerWaalsContact C-N 3.35Å; E33-I35 PolarHBondContact O-N 2.86Å; E33-K36 PolarHBondContact O-N 3.26Å; E33-N37 PolarHBondContact O-N 2.87Å; E33-N37 PolarHBondContact O-ND2 3.48Å
34F93.2Very high88.9Confident90 Ų9058.8 Ų58.840%0.39528%0.279SS..Hα-helixtrans-60.6-45.1177.6177.6-92.4000111.2W30 T31 S32 N37 A38W30-F34 HydrophobicContact CB-CD1 3.99Å; W30-F34 AromaticContact CD2-CD1 3.57Å; W30-F34 HydrophobicContact CD2-CD1 3.57Å; W30-F34 AromaticContact CD2-CE1 3.4Å; W30-F34 HydrophobicContact CD2-CE1 3.4Å; W30-F34 VanDerWaalsContact CD2-CE1 3.4Å; W30-F34 AromaticContact CE2-CE1 3.49Å; W30-F34 VanDerWaalsContact CE2-CE1 3.49Å; W30-F34 AromaticContact CE3-CD1 3.73Å; W30-F34 HydrophobicContact CE3-CD1 3.73Å; W30-F34 AromaticContact CE3-CE1 3.56Å; W30-F34 HydrophobicContact CE3-CE1 3.56Å; W30-F34 AromaticContact CG-CD1 3.7Å; W30-F34 HydrophobicContact CG-CD1 3.7Å; W30-F34 AromaticContact CG-CE1 3.93Å; W30-F34 HydrophobicContact CG-CE1 3.93Å; W30-F34 AromaticContact CH2-CE1 3.89Å; W30-F34 HydrophobicContact CH2-CE1 3.89Å; W30-F34 AromaticContact CZ2-CE1 3.76Å; W30-F34 HydrophobicContact CZ2-CE1 3.76Å; W30-F34 HydrophobicContact CZ2-CZ 4.35Å; W30-F34 HydrophobicContact CZ3-CD1 4.34Å; W30-F34 AromaticContact CZ3-CE1 3.77Å; W30-F34 HydrophobicContact CZ3-CE1 3.77Å; T31-F34 WeakPolarHBondContact O-CB 3.41Å; T31-F34 PolarHBondContact O-N 3.06Å; T31-F34 VanDerWaalsContact O-N 3.09Å; T31-F34 WeakPolarHBondContact OG1-CB 3.43Å; T31-F34 PolarHBondContact OG1-N 3.46Å; T31-F34 VanDerWaalsContact OG1-N 3.16Å; S32-F34 PolarHBondContact O-N 3.39Å; F34-N37 PolarHBondContact O-N 3.43Å; F34-A38 HydrophobicContact CE1-CB 4.41Å; F34-A38 WeakPolarHBondContact O-CB 3.21Å; F34-A38 PolarHBondContact O-N 2.92Å
35I92.6Very high89.3Confident1 Ų156.3 Ų56.31%0.00527%0.268CS..Hα-helixtrans-61.7-46177.4-67.4-178.8000111.2W30 T31 S32 E33 N37 A38 L39 L94 L100 N104 I108W30-I35 HydrophobicContact CB-CG1 4.34Å; W30-I35 HydrophobicContact CE3-CD1 4.5Å; W30-I35 HydrophobicContact CE3-CG1 3.99Å; T31-I35 PolarHBondContact O-N 3.42Å; T31-I35 VanDerWaalsContact O-N 3.11Å; S32-I35 PolarHBondContact O-N 2.91Å; E33-I35 VanDerWaalsContact C-N 3.35Å; E33-I35 PolarHBondContact O-N 2.86Å; I35-N37 VanDerWaalsContact C-N 3.29Å; I35-N37 PolarHBondContact O-N 3.27Å; I35-A38 PolarHBondContact O-N 3.43Å; I35-L39 HydrophobicContact CG2-CD1 3.92Å; I35-L39 HydrophobicContact CG2-CG 4.28Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.28Å; I35-L94 HydrophobicContact CG2-CD1 4.41Å; I35-L100 HydrophobicContact CD1-CD1 3.91Å; I35-N104 HydrophobicContact CD1-CB 3.39Å; I35-I108 HydrophobicContact CG2-CD1 4.36Å; I35-I108 HydrophobicContact CG2-CG1 3.77Å
36K92.8Very high89.8Confident74 Ų7455.4 Ų55.432%0.32227%0.266SS..Hα-helixtrans-57.5-44.3176.6-70.6-173.5-178.8-169.70111.2S32 E33 K40 C107 E110S32-K36 WeakPolarHBondContact O-CG 3.49Å; S32-K36 PolarHBondContact O-N 3.08Å; E33-K36 PolarHBondContact O-N 3.26Å; K36-K40 WeakPolarHBondContact O-CG 3.43Å; K36-K40 PolarHBondContact O-N 3.04Å; K36-C107 WeakPolarHBondContact CE-SG 3.47Å; K36-C107 WeakPolarHBondContact CG-SG 3.48Å; K36-E110 IonicContact NZ-OE2 3.23Å; K36-E110 PolarHBondContact NZ-OE2 2.93Å; K36-E110 VanDerWaalsContact NZ-OE2 3.15Å
37N93.7Very high90.3Very high75 Ų7557.5 Ų57.540%0.40128%0.276SS..Hα-helixtrans-68.5-39.3179.2-69.5-24.9000112.5E33 F34 I35 K40 F41E33-N37 PolarHBondContact O-N 2.87Å; E33-N37 PolarHBondContact O-ND2 3.48Å; F34-N37 PolarHBondContact O-N 3.43Å; I35-N37 VanDerWaalsContact C-N 3.29Å; I35-N37 PolarHBondContact O-N 3.27Å; N37-K40 PolarHBondContact O-N 2.86Å; N37-F41 WeakPolarHBondContact O-CB 3.45Å; N37-F41 PolarHBondContact O-N 3.45Å
38A92.4Very high90.4Very high9 Ų960.2 Ų60.27%0.07429%0.29CS..Hα-helixtrans-67.3-37.7177.200000112.4F18 F34 I35 F41 T42F18-A38 HydrophobicContact CD2-CB 3.91Å; F18-A38 HydrophobicContact CE1-CB 4.47Å; F18-A38 HydrophobicContact CE2-CB 3.34Å; F18-A38 HydrophobicContact CZ-CB 3.67Å; F34-A38 HydrophobicContact CE1-CB 4.41Å; F34-A38 WeakPolarHBondContact O-CB 3.21Å; F34-A38 PolarHBondContact O-N 2.92Å; I35-A38 PolarHBondContact O-N 3.43Å; A38-F41 PolarHBondContact O-N 2.86Å; A38-T42 WeakPolarHBondContact O-CB 3.33Å; A38-T42 PolarHBondContact O-N 3.02Å; A38-T42 PolarHBondContact O-OG1 3.29Å
39L93.6Very high90.4Very high0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-68-37.5173.9-68.3176.3000112.2I35 T42 A43 A90 I91 L94 I108 Y111I35-L39 HydrophobicContact CG2-CD1 3.92Å; I35-L39 HydrophobicContact CG2-CG 4.28Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.28Å; L39-T42 PolarHBondContact O-N 3.5Å; L39-A43 PolarHBondContact O-N 3.02Å; L39-A90 HydrophobicContact CD2-CB 4.33Å; L39-I91 HydrophobicContact CD2-CG1 3.85Å; L39-L94 HydrophobicContact CD2-CD1 4.31Å; L39-I108 HydrophobicContact CD1-CG1 4.42Å; L39-Y111 HydrophobicContact CB-CD1 4.35Å; L39-Y111 HydrophobicContact CB-CD2 4.27Å; L39-Y111 HydrophobicContact CB-CE1 3.96Å; L39-Y111 HydrophobicContact CB-CE2 3.87Å; L39-Y111 HydrophobicContact CB-CG 4.49Å; L39-Y111 HydrophobicContact CD1-CD1 3.71Å; L39-Y111 HydrophobicContact CD1-CD2 4.21Å; L39-Y111 HydrophobicContact CD1-CE1 4.12Å; L39-Y111 HydrophobicContact CD1-CG 3.75Å; L39-Y111 PolarHBondContact O-OH 3.13Å
40K92.7Very high90.3Very high119 Ų11950.8 Ų50.852%0.51727%0.268SS..Hα-helixtrans-62.3-47.6171.3-73.9173.1-177.1175.40111.7K36 N37 T42 A43 E44K36-K40 WeakPolarHBondContact O-CG 3.43Å; K36-K40 PolarHBondContact O-N 3.04Å; N37-K40 PolarHBondContact O-N 2.86Å; K40-T42 VanDerWaalsContact C-N 3.27Å; K40-T42 PolarHBondContact O-N 3.39Å; K40-A43 WeakPolarHBondContact O-CB 3.18Å; K40-A43 PolarHBondContact O-N 3.4Å; K40-A43 VanDerWaalsContact O-N 3.09Å; K40-E44 PolarHBondContact O-N 3.25Å; K40-E44 VanDerWaalsContact O-N 3.08Å
41F91.2Very high90.2Very high43 Ų4358.2 Ų58.219%0.18930%0.296CS..Hα-helixtrans-56.5-43.7174.1165.8-106.6000111.4L11 K14 F15 N37 A38 A43 E44 I45L11-F41 HydrophobicContact CD2-CE2 3.8Å; K14-F41 HydrophobicContact CB-CE1 4.25Å; K14-F41 HydrophobicContact CB-CE2 4.48Å; K14-F41 HydrophobicContact CB-CZ 3.67Å; F15-F41 HydrophobicContact CB-CE1 4.1Å; F15-F41 HydrophobicContact CB-CZ 4.35Å; F15-F41 HydrophobicContact CD2-CE1 4.42Å; N37-F41 WeakPolarHBondContact O-CB 3.45Å; N37-F41 PolarHBondContact O-N 3.45Å; A38-F41 PolarHBondContact O-N 2.86Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 3.06Å; F41-E44 WeakPolarHBondContact O-CB 3.23Å; F41-E44 PolarHBondContact O-N 3.24Å; F41-E44 VanDerWaalsContact O-N 3.12Å; F41-I45 HydrophobicContact CE1-CG1 4.3Å; F41-I45 HydrophobicContact CE2-CD1 4.06Å; F41-I45 HydrophobicContact CE2-CG1 4.32Å; F41-I45 HydrophobicContact CZ-CD1 3.91Å; F41-I45 HydrophobicContact CZ-CG1 4.04Å; F41-I45 PolarHBondContact O-N 3.02Å
42T91.2Very high89.7Confident0 Ų055.1 Ų55.10%028%0.276CS..Hα-helixtrans-63.5-36.3177.2-57.30000112F15 F18 A38 L39 K40 E44 I45 E46 A86 V87 A90F15-T42 HydrophobicContact CD2-CG2 4.16Å; F15-T42 HydrophobicContact CE2-CG2 3.39Å; F15-T42 HydrophobicContact CZ-CG2 4.02Å; F18-T42 WeakPolarHBondContact CE1-OG1 3.34Å; A38-T42 WeakPolarHBondContact O-CB 3.33Å; A38-T42 PolarHBondContact O-N 3.02Å; A38-T42 PolarHBondContact O-OG1 3.29Å; L39-T42 PolarHBondContact O-N 3.5Å; K40-T42 VanDerWaalsContact C-N 3.27Å; K40-T42 PolarHBondContact O-N 3.39Å; T42-E44 VanDerWaalsContact C-N 3.3Å; T42-E44 PolarHBondContact O-N 2.99Å; T42-I45 WeakPolarHBondContact O-CB 3.5Å; T42-I45 PolarHBondContact O-N 3.23Å; T42-E46 PolarHBondContact O-N 3.14Å; T42-A86 HydrophobicContact CG2-CB 3.61Å; T42-A86 VanDerWaalsContact CG2-O 3.25Å; T42-A86 WeakPolarHBondContact CG2-O 2.93Å; T42-V87 HydrophobicContact CG2-CB 4.27Å; T42-V87 HydrophobicContact CG2-CG2 3.81Å; T42-A90 HydrophobicContact CG2-CB 4.03Å
43A91.1Very high89.3Confident30 Ų3055.9 Ų55.925%0.24829%0.285CS..Hα-helixtrans-66.8-31.5174.900000112.5L39 K40 F41 E46 N47 V87L39-A43 PolarHBondContact O-N 3.02Å; K40-A43 WeakPolarHBondContact O-CB 3.18Å; K40-A43 PolarHBondContact O-N 3.4Å; K40-A43 VanDerWaalsContact O-N 3.09Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 3.06Å; A43-E46 PolarHBondContact O-N 2.92Å; A43-N47 WeakPolarHBondContact O-CB 3.43Å; A43-N47 PolarHBondContact O-N 3.33Å; A43-V87 HydrophobicContact CB-CG2 3.7Å
44E88.4Confident88.8Confident110 Ų11056.2 Ų56.251%0.51429%0.29SS..Hα-helixtrans-65.4-42.5172-65.7173.3-176.100111.2K40 F41 T42 N47 I48K40-E44 PolarHBondContact O-N 3.25Å; K40-E44 VanDerWaalsContact O-N 3.08Å; F41-E44 WeakPolarHBondContact O-CB 3.23Å; F41-E44 PolarHBondContact O-N 3.24Å; F41-E44 VanDerWaalsContact O-N 3.12Å; T42-E44 VanDerWaalsContact C-N 3.3Å; T42-E44 PolarHBondContact O-N 2.99Å; E44-N47 PolarHBondContact O-N 3.25Å; E44-I48 VanDerWaalsContact O-CG1 3.25Å; E44-I48 WeakPolarHBondContact O-CG1 3.23Å; E44-I48 PolarHBondContact O-N 3.13Å
45I86.2Confident88.3Confident4 Ų457.4 Ų57.42%0.02130%0.301CS..Hα-helixtrans-59.8-49.3173.7-57.3-61.9000110.5L11 L12 F15 F41 T42 N47 I48 V49 L83 A86L11-I45 HydrophobicContact CB-CD1 3.61Å; L11-I45 HydrophobicContact CD2-CD1 4.31Å; L11-I45 HydrophobicContact CG-CD1 4.39Å; L12-I45 HydrophobicContact CD2-CG2 4.42Å; F15-I45 HydrophobicContact CB-CD1 4.49Å; F15-I45 HydrophobicContact CB-CG1 4.18Å; F15-I45 HydrophobicContact CD1-CG2 4.34Å; F15-I45 HydrophobicContact CD2-CG1 4.46Å; F15-I45 HydrophobicContact CG-CG1 4.32Å; F15-I45 HydrophobicContact CG-CG2 4.38Å; F41-I45 HydrophobicContact CE1-CG1 4.3Å; F41-I45 HydrophobicContact CE2-CD1 4.06Å; F41-I45 HydrophobicContact CE2-CG1 4.32Å; F41-I45 HydrophobicContact CZ-CD1 3.91Å; F41-I45 HydrophobicContact CZ-CG1 4.04Å; F41-I45 PolarHBondContact O-N 3.02Å; T42-I45 WeakPolarHBondContact O-CB 3.5Å; T42-I45 PolarHBondContact O-N 3.23Å; I45-N47 VanDerWaalsContact C-N 3.29Å; I45-N47 PolarHBondContact O-N 3.2Å; I45-I48 PolarHBondContact O-N 2.98Å; I45-V49 HydrophobicContact CG2-CG2 4.09Å; I45-V49 WeakPolarHBondContact O-CB 3.46Å; I45-V49 VanDerWaalsContact O-CG2 3.31Å; I45-V49 WeakPolarHBondContact O-CG2 3.47Å; I45-V49 PolarHBondContact O-N 3.3Å; I45-L83 HydrophobicContact CG2-CD2 4.47Å; I45-A86 HydrophobicContact CG2-CB 4.49Å
46E89.6Confident87.7Confident38 Ų3860.7 Ų60.718%0.17832%0.316CS..Hα-helixtrans-54.7-46.4178.5-166.1176.6114.100111.4T42 A43 G50 V84 A86 V87 R117T42-E46 PolarHBondContact O-N 3.14Å; A43-E46 PolarHBondContact O-N 2.92Å; E46-G50 PolarHBondContact O-N 3.39Å; E46-V84 WeakPolarHBondContact CG-O 3.26Å; E46-A86 HydrophobicContact CB-CB 4.24Å; E46-A86 PolarHBondContact OE2-N 3.11Å; E46-V87 HydrophobicContact CB-CG2 4.47Å; E46-V87 VanDerWaalsContact OE2-CB 3.24Å; E46-V87 WeakPolarHBondContact OE2-CB 3.07Å; E46-V87 VanDerWaalsContact OE2-CG2 3.25Å; E46-V87 WeakPolarHBondContact OE2-CG2 2.95Å; E46-V87 PolarHBondContact OE2-N 3.31Å; E46-R117 VanDerWaalsContact CD-NH2 3.35Å; E46-R117 IonicContact OE1-CZ 3.31Å; E46-R117 IonicContact OE1-NH1 2.71Å; E46-R117 IonicContact OE1-NH2 3.76Å; E46-R117 PolarHBondContact OE1-NH2 3.26Å; E46-R117 IonicContact OE2-CZ 2.65Å; E46-R117 IonicContact OE2-NH1 2.8Å; E46-R117 PolarHBondContact OE2-NH1 3.11Å; E46-R117 IonicContact OE2-NH2 3.74Å; E46-R117 PolarHBondContact OE2-NH2 3.19Å
47N88.2Confident87.1Confident83 Ų8358.6 Ų58.644%0.44431%0.309SS..Hα-helixtrans-69.3-35179.6179.540.2000113.2A43 E44 I45 R51A43-N47 WeakPolarHBondContact O-CB 3.43Å; A43-N47 PolarHBondContact O-N 3.33Å; E44-N47 PolarHBondContact O-N 3.25Å; I45-N47 VanDerWaalsContact C-N 3.29Å; I45-N47 PolarHBondContact O-N 3.2Å; N47-R51 PolarHBondContact ND2-NH2 3.37Å; N47-R51 WeakPolarHBondContact O-CD 3.43Å; N47-R51 VanDerWaalsContact O-CG 3.29Å; N47-R51 WeakPolarHBondContact O-CG 3.33Å; N47-R51 PolarHBondContact O-NE 3.16Å; N47-R51 VanDerWaalsContact OD1-CZ 3.25Å; N47-R51 PolarHBondContact OD1-NE 3.33Å; N47-R51 PolarHBondContact OD1-NH2 3.3Å
48I85Confident86.5Confident57 Ų5759.4 Ų59.429%0.29231%0.313SS..Hα-helixtrans-68.3-50.9175.1-70.2165.4000109.6I8 L11 E44 I45 G50 R51I8-I48 HydrophobicContact CG1-CG2 4.38Å; L11-I48 HydrophobicContact CD1-CD1 3.73Å; E44-I48 VanDerWaalsContact O-CG1 3.25Å; E44-I48 WeakPolarHBondContact O-CG1 3.23Å; E44-I48 PolarHBondContact O-N 3.13Å; I45-I48 PolarHBondContact O-N 2.98Å; I48-G50 VanDerWaalsContact C-N 3.32Å; I48-G50 PolarHBondContact O-N 3.33Å; I48-R51 PolarHBondContact O-N 3Å; I48-R51 VanDerWaalsContact O-N 3.08Å
49V82.7Confident85.9Confident3 Ų361.8 Ų61.82%0.01833%0.332CS..Hα-helixtrans-64-38.8-177.5176.40000111.2I45 R51 L52 L83 V84I45-V49 HydrophobicContact CG2-CG2 4.09Å; I45-V49 WeakPolarHBondContact O-CB 3.46Å; I45-V49 VanDerWaalsContact O-CG2 3.31Å; I45-V49 WeakPolarHBondContact O-CG2 3.47Å; I45-V49 PolarHBondContact O-N 3.3Å; V49-R51 PolarHBondContact O-N 2.84Å; V49-R51 VanDerWaalsContact O-N 3.07Å; V49-L52 HydrophobicContact CB-CD1 4.41Å; V49-L52 HydrophobicContact CG1-CD1 4.3Å; V49-L52 HydrophobicContact CG2-CD1 4.36Å; V49-L52 WeakPolarHBondContact O-CB 3.36Å; V49-L52 PolarHBondContact O-N 2.97Å; V49-L52 VanDerWaalsContact O-N 3.11Å; V49-L83 HydrophobicContact CB-CB 4.32Å; V49-L83 HydrophobicContact CG1-CB 3.77Å; V49-L83 HydrophobicContact CG1-CD1 4.49Å; V49-L83 HydrophobicContact CG2-CB 4.14Å; V49-L83 HydrophobicContact CG2-CD1 4.26Å; V49-V84 HydrophobicContact CG1-CG2 3.87Å
50G85Confident85.2Confident53 Ų5362.2 Ų62.255%0.54634%0.335SS..THydrogen-bonded Turntrans-63.7-10.8176.200000115E46 I48E46-G50 PolarHBondContact O-N 3.39Å; I48-G50 VanDerWaalsContact C-N 3.32Å; I48-G50 PolarHBondContact O-N 3.33Å
51R86.2Confident84.5Confident185 Ų18559.6 Ų59.670%0.69832%0.324SS*.THydrogen-bonded Turntrans-105-5.2177.1-65.4172.6-168.3-155.7-1.5113.6N47 I48 V49N47-R51 PolarHBondContact ND2-NH2 3.37Å; N47-R51 WeakPolarHBondContact O-CD 3.43Å; N47-R51 VanDerWaalsContact O-CG 3.29Å; N47-R51 WeakPolarHBondContact O-CG 3.33Å; N47-R51 PolarHBondContact O-NE 3.16Å; N47-R51 VanDerWaalsContact OD1-CZ 3.25Å; N47-R51 PolarHBondContact OD1-NE 3.33Å; N47-R51 PolarHBondContact OD1-NH2 3.3Å; I48-R51 PolarHBondContact O-N 3Å; I48-R51 VanDerWaalsContact O-N 3.08Å; V49-R51 PolarHBondContact O-N 2.84Å; V49-R51 VanDerWaalsContact O-N 3.07Å
52L82.3Confident84Confident21 Ų2163.2 Ų63.211%0.1134%0.341CS..  trans-68.5139.4-178.8-64.9-179.7000110.6I8 V49 E56 N57 V60I8-L52 HydrophobicContact CD1-CD2 4.14Å; V49-L52 HydrophobicContact CB-CD1 4.41Å; V49-L52 HydrophobicContact CG1-CD1 4.3Å; V49-L52 HydrophobicContact CG2-CD1 4.36Å; V49-L52 WeakPolarHBondContact O-CB 3.36Å; V49-L52 PolarHBondContact O-N 2.97Å; V49-L52 VanDerWaalsContact O-N 3.11Å; L52-E56 WeakPolarHBondContact CA-OE2 3.04Å; L52-E56 HydrophobicContact CB-CB 3.89Å; L52-E56 HydrophobicContact CD1-CB 4.5Å; L52-E56 HydrophobicContact CD2-CB 4Å; L52-E56 HydrophobicContact CG-CB 4.32Å; L52-N57 PolarHBondContact O-ND2 2.9Å; L52-N57 VanDerWaalsContact O-ND2 3.12Å; L52-V60 HydrophobicContact CD1-CG2 3.73Å
53A84.4Confident83.4Confident47 Ų4765.1 Ų65.139%0.38835%0.35SS..  trans-68.4167.4168.100000111.1D55 E56 N57A53-D55 VanDerWaalsContact C-N 3.29Å; A53-D55 WeakPolarHBondContact CB-OD1 3.29Å; A53-D55 PolarHBondContact O-N 3.1Å; A53-E56 HydrophobicContact CB-CG 4.47Å; A53-E56 PolarHBondContact N-OE2 2.84Å; A53-E56 PolarHBondContact O-N 3.03Å; A53-N57 WeakPolarHBondContact O-CB 3.48Å; A53-N57 PolarHBondContact O-N 3.09Å; A53-N57 PolarHBondContact O-ND2 2.98Å
54D82.3Confident82.5Confident138 Ų13864 Ų6474%0.73834%0.34SS*.Hα-helixtrans-60.9-37-176-70.4-27.5000112.8N57 L58D54-N57 PolarHBondContact O-N 3.39Å; D54-L58 WeakPolarHBondContact O-CG 3.4Å; D54-L58 PolarHBondContact O-N 3.39Å
55D82.5Confident81.9Confident115 Ų11564 Ų6462%0.61534%0.34SS*.Hα-helixtrans-68.7-40.5176.560.8-37.7000112.4A53 L58 A59A53-D55 VanDerWaalsContact C-N 3.29Å; A53-D55 WeakPolarHBondContact CB-OD1 3.29Å; A53-D55 PolarHBondContact O-N 3.1Å; D55-L58 PolarHBondContact O-N 3.03Å; D55-A59 PolarHBondContact O-N 3.01Å
56E80.9Confident81.4Confident71 Ų7169.1 Ų69.133%0.33236%0.363SS..Hα-helixtrans-65.9-40.6173.7-64.4177.2134.800111.5L52 A53 L58 A59 V60L52-E56 WeakPolarHBondContact CA-OE2 3.04Å; L52-E56 HydrophobicContact CB-CB 3.89Å; L52-E56 HydrophobicContact CD1-CB 4.5Å; L52-E56 HydrophobicContact CD2-CB 4Å; L52-E56 HydrophobicContact CG-CB 4.32Å; A53-E56 HydrophobicContact CB-CG 4.47Å; A53-E56 PolarHBondContact N-OE2 2.84Å; A53-E56 PolarHBondContact O-N 3.03Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.38Å; E56-A59 WeakPolarHBondContact O-CB 3.29Å; E56-A59 PolarHBondContact O-N 2.93Å; E56-V60 WeakPolarHBondContact O-CG2 3.14Å; E56-V60 PolarHBondContact O-N 2.7Å
57N80.1Confident80.4Confident29 Ų2967.9 Ų67.916%0.15536%0.358CS..Hα-helixtrans-61.5-40.9174.2-84.7-50.8000112.1L52 A53 D54 A59 V60 Q61L52-N57 PolarHBondContact O-ND2 2.9Å; L52-N57 VanDerWaalsContact O-ND2 3.12Å; A53-N57 WeakPolarHBondContact O-CB 3.48Å; A53-N57 PolarHBondContact O-N 3.09Å; A53-N57 PolarHBondContact O-ND2 2.98Å; D54-N57 PolarHBondContact O-N 3.39Å; N57-A59 VanDerWaalsContact C-N 3.35Å; N57-V60 PolarHBondContact O-N 3.41Å; N57-Q61 WeakPolarHBondContact O-CG 3.45Å; N57-Q61 PolarHBondContact O-N 3.22Å
58L80.5Confident79.4Confident93 Ų9365.5 Ų65.549%0.48735%0.348SS..Hα-helixtrans-62.1-42.3173.3-75.6167.8000111.5D54 D55 E56 V60 Q61 H62D54-L58 WeakPolarHBondContact O-CG 3.4Å; D54-L58 PolarHBondContact O-N 3.39Å; D55-L58 PolarHBondContact O-N 3.03Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.38Å; L58-V60 VanDerWaalsContact C-N 3.34Å; L58-V60 PolarHBondContact O-N 2.95Å; L58-Q61 PolarHBondContact O-N 2.94Å; L58-H62 PolarHBondContact O-CD2 3.33Å; L58-H62 PolarHBondContact O-N 3.31Å
59A80.7Confident78.7Confident59 Ų5967.6 Ų67.649%0.48836%0.363SS..Hα-helixtrans-61.2-42.3175.900000111.9D55 E56 N57 H62 F63D55-A59 PolarHBondContact O-N 3.01Å; E56-A59 WeakPolarHBondContact O-CB 3.29Å; E56-A59 PolarHBondContact O-N 2.93Å; N57-A59 VanDerWaalsContact C-N 3.35Å; A59-H62 PolarHBondContact O-N 3.3Å; A59-F63 WeakPolarHBondContact O-CB 3.41Å; A59-F63 PolarHBondContact O-N 3.09Å
60V77.9Confident78Confident8 Ų871.8 Ų71.85%0.04838%0.384CS..Hα-helixtrans-64.2-41.7175.6169.10000111.9I8 L12 L52 E56 N57 L58 F63 I64 L83I8-V60 HydrophobicContact CG2-CG2 4.34Å; L12-V60 HydrophobicContact CD1-CB 4.39Å; L12-V60 HydrophobicContact CD1-CG1 3.79Å; L12-V60 HydrophobicContact CD1-CG2 3.95Å; L12-V60 HydrophobicContact CD2-CG1 4.44Å; L52-V60 HydrophobicContact CD1-CG2 3.73Å; E56-V60 WeakPolarHBondContact O-CG2 3.14Å; E56-V60 PolarHBondContact O-N 2.7Å; N57-V60 PolarHBondContact O-N 3.41Å; L58-V60 VanDerWaalsContact C-N 3.34Å; L58-V60 PolarHBondContact O-N 2.95Å; V60-F63 WeakPolarHBondContact O-CB 3.45Å; V60-F63 PolarHBondContact O-N 3.48Å; V60-I64 HydrophobicContact CG1-CD1 4Å; V60-I64 WeakPolarHBondContact O-CG1 3.29Å; V60-I64 PolarHBondContact O-N 3.24Å; V60-L83 HydrophobicContact CG1-CD1 3.27Å
61Q78.7Confident76.9Confident65 Ų6572.4 Ų72.430%0.30437%0.372SS..Hα-helixtrans-61.2-44.6174.5-74.3-177.1-2.900111.8N57 L58 F63 I64 Q65 S80N57-Q61 WeakPolarHBondContact O-CG 3.45Å; N57-Q61 PolarHBondContact O-N 3.22Å; L58-Q61 PolarHBondContact O-N 2.94Å; Q61-F63 VanDerWaalsContact C-N 3.33Å; Q61-F63 PolarHBondContact O-N 3Å; Q61-I64 PolarHBondContact O-N 3.38Å; Q61-Q65 VanDerWaalsContact O-CG 3.32Å; Q61-Q65 WeakPolarHBondContact O-CG 3.28Å; Q61-Q65 PolarHBondContact O-N 2.83Å; Q61-S80 PolarHBondContact NE2-OG 3.14Å
62H79.1Confident75.6Confident118 Ų11868.3 Ų68.355%0.54637%0.369SS..Hα-helixtrans-62.9-40.3176.2-78.1-56.5000112.2L58 A59 Q65 H66L58-H62 PolarHBondContact O-CD2 3.33Å; L58-H62 PolarHBondContact O-N 3.31Å; A59-H62 PolarHBondContact O-N 3.3Å; H62-Q65 PolarHBondContact O-N 3.34Å; H62-H66 WeakPolarHBondContact O-CB 3.3Å; H62-H66 PolarHBondContact O-N 3.12Å
63F79Confident74.2Confident40 Ų4073 Ų7318%0.17539%0.391CS..Hα-helixtrans-60-48.1174.3173-100.8000111.7T9 L12 A59 V60 Q61 Q65 H66 M67T9-F63 HydrophobicContact CG2-CD2 4.15Å; T9-F63 HydrophobicContact CG2-CE2 3.51Å; T9-F63 HydrophobicContact CG2-CZ 3.77Å; L12-F63 HydrophobicContact CB-CD1 4.22Å; L12-F63 HydrophobicContact CB-CE1 3.76Å; L12-F63 HydrophobicContact CD1-CD1 3.92Å; L12-F63 HydrophobicContact CD1-CE1 4.3Å; A59-F63 WeakPolarHBondContact O-CB 3.41Å; A59-F63 PolarHBondContact O-N 3.09Å; V60-F63 WeakPolarHBondContact O-CB 3.45Å; V60-F63 PolarHBondContact O-N 3.48Å; Q61-F63 VanDerWaalsContact C-N 3.33Å; Q61-F63 PolarHBondContact O-N 3Å; F63-Q65 PolarHBondContact O-N 3.28Å; F63-H66 WeakPolarHBondContact O-CB 3.47Å; F63-H66 PolarHBondContact O-N 2.98Å; F63-M67 HydrophobicContact CD1-CG 4.24Å; F63-M67 HydrophobicContact CD2-CG 4.37Å; F63-M67 HydrophobicContact CE1-CG 3.67Å; F63-M67 HydrophobicContact CE2-CG 3.8Å; F63-M67 HydrophobicContact CE2-SD 4Å; F63-M67 HydrophobicContact CZ-CE 4.37Å; F63-M67 HydrophobicContact CZ-CG 3.41Å; F63-M67 VanDerWaalsContact CZ-CG 3.41Å; F63-M67 HydrophobicContact CZ-SD 3.75Å; F63-M67 WeakPolarHBondContact O-CG 3.22Å; F63-M67 PolarHBondContact O-N 3.41Å
64I73.8Confident72.8Confident7 Ų771.4 Ų71.44%0.03638%0.375CS..Hα-helixtrans-60.9-44.5177.6-74.4166000111.7V60 Q61 H66 M67 S68 F74 V78 L83V60-I64 HydrophobicContact CG1-CD1 4Å; V60-I64 WeakPolarHBondContact O-CG1 3.29Å; V60-I64 PolarHBondContact O-N 3.24Å; Q61-I64 PolarHBondContact O-N 3.38Å; I64-H66 VanDerWaalsContact C-N 3.28Å; I64-H66 PolarHBondContact O-N 3.14Å; I64-M67 PolarHBondContact O-N 3.16Å; I64-M67 VanDerWaalsContact O-N 3.16Å; I64-S68 PolarHBondContact O-N 2.76Å; I64-F74 HydrophobicContact CG2-CE1 4.31Å; I64-V78 HydrophobicContact CD1-CG1 3.86Å; I64-V78 HydrophobicContact CG1-CG1 4.41Å; I64-V78 HydrophobicContact CG2-CB 3.66Å; I64-V78 HydrophobicContact CG2-CG1 3.96Å; I64-V78 VanDerWaalsContact CG2-O 3.24Å; I64-V78 WeakPolarHBondContact CG2-O 3.47Å; I64-L83 HydrophobicContact CD1-CD1 3.38Å; I64-L83 HydrophobicContact CD1-CG 3.96Å
65Q75.5Confident71.5Confident110 Ų11068.7 Ų68.751%0.51436%0.364SS..Hα-helixtrans-58.8-43.1175.9-74.4173.2-4.100110.9Q61 H62 F63 S68 T69Q61-Q65 VanDerWaalsContact O-CG 3.32Å; Q61-Q65 WeakPolarHBondContact O-CG 3.28Å; Q61-Q65 PolarHBondContact O-N 2.83Å; H62-Q65 PolarHBondContact O-N 3.34Å; F63-Q65 PolarHBondContact O-N 3.28Å; Q65-S68 PolarHBondContact O-N 3.37Å; Q65-S68 PolarHBondContact O-OG 2.8Å; Q65-T69 PolarHBondContact O-N 3.32Å
66H75.9Confident70Confident111 Ų11168.8 Ų68.851%0.51437%0.373SS..Hα-helixtrans-63.4-41.6174.9-171.667.2000112.4H62 F63 I64 S68 T69 I70H62-H66 WeakPolarHBondContact O-CB 3.3Å; H62-H66 PolarHBondContact O-N 3.12Å; F63-H66 WeakPolarHBondContact O-CB 3.47Å; F63-H66 PolarHBondContact O-N 2.98Å; I64-H66 VanDerWaalsContact C-N 3.28Å; I64-H66 PolarHBondContact O-N 3.14Å; H66-S68 VanDerWaalsContact C-N 3.29Å; H66-S68 PolarHBondContact O-N 3.05Å; H66-T69 PolarHBondContact O-N 3.44Å; H66-T69 VanDerWaalsContact O-N 3.12Å; H66-T69 PolarHBondContact O-OG1 3.35Å; H66-I70 PolarHBondContact O-N 2.92Å
67M68Low68.9Low13 Ų1367.9 Ų67.96%0.06437%0.374CS..Hα-helixtrans-62.9-35.8176.2-71.3-64.6-74.900112.4V16 F63 I64 T69 I70 F71V16-M67 HydrophobicContact CG1-CE 4.42Å; F63-M67 HydrophobicContact CD1-CG 4.24Å; F63-M67 HydrophobicContact CD2-CG 4.37Å; F63-M67 HydrophobicContact CE1-CG 3.67Å; F63-M67 HydrophobicContact CE2-CG 3.8Å; F63-M67 HydrophobicContact CE2-SD 4Å; F63-M67 HydrophobicContact CZ-CE 4.37Å; F63-M67 HydrophobicContact CZ-CG 3.41Å; F63-M67 VanDerWaalsContact CZ-CG 3.41Å; F63-M67 HydrophobicContact CZ-SD 3.75Å; F63-M67 WeakPolarHBondContact O-CG 3.22Å; F63-M67 PolarHBondContact O-N 3.41Å; I64-M67 PolarHBondContact O-N 3.16Å; I64-M67 VanDerWaalsContact O-N 3.16Å; M67-T69 PolarHBondContact O-N 2.95Å; M67-I70 PolarHBondContact O-N 3.48Å; M67-F71 HydrophobicContact CE-CD2 3.65Å; M67-F71 HydrophobicContact CE-CE2 3.36Å; M67-F71 HydrophobicContact CE-CZ 4.49Å; M67-F71 WeakPolarHBondContact O-CD2 3.49Å; M67-F71 PolarHBondContact O-N 2.91Å; M67-F71 HydrophobicContact SD-CD2 4.32Å; M67-F71 HydrophobicContact SD-CE2 4.05Å
68S66.4Low68.2Low33 Ų3367.1 Ų67.123%0.23137%0.371CS..Hα-helixtrans-65.9-23176.175.40000113.7I64 Q65 H66 F71I64-S68 PolarHBondContact O-N 2.76Å; Q65-S68 PolarHBondContact O-N 3.37Å; Q65-S68 PolarHBondContact O-OG 2.8Å; H66-S68 VanDerWaalsContact C-N 3.29Å; H66-S68 PolarHBondContact O-N 3.05Å; S68-F71 CarbonylContact O-C 3.53Å
69T71.8Confident67.7Low101 Ų10165.5 Ų65.562%0.6237%0.365SS*.Hα-helixtrans-81.1-30.3173.969.80000112.1Q65 H66 M67Q65-T69 PolarHBondContact O-N 3.32Å; H66-T69 PolarHBondContact O-N 3.44Å; H66-T69 VanDerWaalsContact O-N 3.12Å; H66-T69 PolarHBondContact O-OG1 3.35Å; M67-T69 PolarHBondContact O-N 2.95Å
70I67Low67.2Low90 Ų9063.7 Ų63.746%0.46235%0.349SS..Hα-helixtrans-78.9-38.4176.2-60.6172.6000110.9H66 M67 P72H66-I70 PolarHBondContact O-N 2.92Å; M67-I70 PolarHBondContact O-N 3.48Å; I70-P72 WeakPolarHBondContact O-CD 3.2Å
71F62.7Low67.1Low67 Ų6770.5 Ų70.529%0.29438%0.378SS..  trans-120.783.2-178.3-57-77.1000109.4M67 S68 H73 F74M67-F71 HydrophobicContact CE-CD2 3.65Å; M67-F71 HydrophobicContact CE-CE2 3.36Å; M67-F71 HydrophobicContact CE-CZ 4.49Å; M67-F71 WeakPolarHBondContact O-CD2 3.49Å; M67-F71 PolarHBondContact O-N 2.91Å; M67-F71 HydrophobicContact SD-CD2 4.32Å; M67-F71 HydrophobicContact SD-CE2 4.05Å; S68-F71 CarbonylContact O-C 3.53Å; F71-H73 PolarHBondContact O-N 3.31Å; F71-F74 HydrophobicContact CB-CB 4Å; F71-F74 WeakPolarHBondContact O-CA 3.49Å; F71-F74 WeakPolarHBondContact O-CB 3.39Å; F71-F74 PolarHBondContact O-N 3.4Å
72P57.8Low67.1Low98 Ų9869.4 Ų69.464%0.63637%0.373SS*.THydrogen-bonded Turntrans-60-21.7-174.9-2433.4000114.4I70 F74I70-P72 WeakPolarHBondContact O-CD 3.2Å; P72-F74 VanDerWaalsContact C-N 3.31Å
73H54.1Low67.3Low121 Ų12163.9 Ų63.956%0.5635%0.347SS*.THydrogen-bonded Turntrans-78.1-18.3175.9-47.5-58.4000112.8F71 T75F71-H73 PolarHBondContact O-N 3.31Å; H73-T75 VanDerWaalsContact C-N 3.34Å; H73-T75 PolarHBondContact O-N 3.27Å
74F54.5Low67.5Low12 Ų1264.8 Ų64.85%0.05336%0.356CS..SBendtrans-71.197.8166.9-164.6-112.7000106.6V16 I64 F71 P72 S76 V78V16-F74 HydrophobicContact CB-CD2 4.4Å; V16-F74 HydrophobicContact CB-CE2 3.72Å; V16-F74 HydrophobicContact CB-CZ 3.8Å; V16-F74 HydrophobicContact CG1-CD1 4.44Å; V16-F74 HydrophobicContact CG1-CD2 3.58Å; V16-F74 HydrophobicContact CG1-CE1 4.27Å; V16-F74 HydrophobicContact CG1-CE2 3.41Å; V16-F74 VanDerWaalsContact CG1-CE2 3.41Å; V16-F74 HydrophobicContact CG1-CG 4.1Å; V16-F74 HydrophobicContact CG1-CZ 3.76Å; V16-F74 HydrophobicContact CG2-CE1 3.82Å; V16-F74 HydrophobicContact CG2-CE2 3.76Å; V16-F74 HydrophobicContact CG2-CZ 3.25Å; I64-F74 HydrophobicContact CG2-CE1 4.31Å; F71-F74 HydrophobicContact CB-CB 4Å; F71-F74 WeakPolarHBondContact O-CA 3.49Å; F71-F74 WeakPolarHBondContact O-CB 3.39Å; F71-F74 PolarHBondContact O-N 3.4Å; P72-F74 VanDerWaalsContact C-N 3.31Å; F74-S76 PolarHBondContact O-N 3.04Å; F74-V78 HydrophobicContact CD1-CG2 4.11Å; F74-V78 HydrophobicContact CE1-CB 3.9Å; F74-V78 HydrophobicContact CE1-CG1 4.33Å; F74-V78 HydrophobicContact CE1-CG2 3.39Å; F74-V78 HydrophobicContact CE2-CG2 4.16Å; F74-V78 HydrophobicContact CZ-CB 4.16Å; F74-V78 HydrophobicContact CZ-CG1 4.25Å; F74-V78 HydrophobicContact CZ-CG2 3.43Å; F74-V78 VanDerWaalsContact CZ-CG2 3.43Å
75T54.2Low68.1Low82 Ų8267 Ų6750%0.50337%0.368SS..  trans-45.4131.6-175.340.70000110.4H73 S77 V78H73-T75 VanDerWaalsContact C-N 3.34Å; H73-T75 PolarHBondContact O-N 3.27Å; T75-S77 VanDerWaalsContact CB-OG 3.3Å; T75-S77 WeakPolarHBondContact CB-OG 3.21Å; T75-S77 PolarHBondContact O-N 3.06Å; T75-S77 PolarHBondContact OG1-OG 3.15Å; T75-V78 PolarHBondContact O-N 3.22Å
76S51.7Low68.7Low117 Ų11761.8 Ų61.882%0.81834%0.344SS*.THydrogen-bonded Turntrans-57.14.8173.254.30000114.5F74F74-S76 PolarHBondContact O-N 3.04Å
77S57.1Low69.5Low51 Ų5156.5 Ų56.536%0.35732%0.319SS..THydrogen-bonded Turntrans-83.8-12.9-177.557.90000113.5T75 T79 Q82T75-S77 VanDerWaalsContact CB-OG 3.3Å; T75-S77 WeakPolarHBondContact CB-OG 3.21Å; T75-S77 PolarHBondContact O-N 3.06Å; T75-S77 PolarHBondContact OG1-OG 3.15Å; S77-T79 PolarHBondContact O-N 2.98Å; S77-Q82 PolarHBondContact O-NE2 3.45Å; S77-Q82 PolarHBondContact O-OE1 2.96Å
78V66.1Low70.5Confident13 Ų1358.8 Ų58.88%0.07933%0.332CS..  trans-74.4119.3-176.2-1670000110.6I64 F74 T75 W89I64-V78 HydrophobicContact CD1-CG1 3.86Å; I64-V78 HydrophobicContact CG1-CG1 4.41Å; I64-V78 HydrophobicContact CG2-CB 3.66Å; I64-V78 HydrophobicContact CG2-CG1 3.96Å; I64-V78 VanDerWaalsContact CG2-O 3.24Å; I64-V78 WeakPolarHBondContact CG2-O 3.47Å; F74-V78 HydrophobicContact CD1-CG2 4.11Å; F74-V78 HydrophobicContact CE1-CB 3.9Å; F74-V78 HydrophobicContact CE1-CG1 4.33Å; F74-V78 HydrophobicContact CE1-CG2 3.39Å; F74-V78 HydrophobicContact CE2-CG2 4.16Å; F74-V78 HydrophobicContact CZ-CB 4.16Å; F74-V78 HydrophobicContact CZ-CG1 4.25Å; F74-V78 HydrophobicContact CZ-CG2 3.43Å; F74-V78 VanDerWaalsContact CZ-CG2 3.43Å; T75-V78 PolarHBondContact O-N 3.22Å; V78-W89 HydrophobicContact CB-CH2 3.85Å; V78-W89 HydrophobicContact CB-CZ3 4.37Å; V78-W89 HydrophobicContact CG1-CH2 3.53Å; V78-W89 HydrophobicContact CG1-CZ3 3.56Å; V78-W89 HydrophobicContact CG2-CH2 3.21Å; V78-W89 HydrophobicContact CG2-CZ2 3.81Å; V78-W89 HydrophobicContact CG2-CZ3 4.16Å
79T69.6Low71.5Confident60 Ų6059 Ų5937%0.36833%0.327SS..  trans-126160.7-179.162.20000108.7S77 F81 Q82 L83S77-T79 PolarHBondContact O-N 2.98Å; T79-F81 PolarHBondContact O-N 3.08Å; T79-F81 VanDerWaalsContact O-N 3.11Å; T79-Q82 PolarHBondContact O-N 3.47Å; T79-Q82 PolarHBondContact OG1-N 3.42Å; T79-Q82 PolarHBondContact OG1-OE1 3.05Å; T79-L83 PolarHBondContact O-N 2.62Å
80S70.6Confident72.4Confident21 Ų2154.2 Ų54.215%0.14730%0.298CS..Hα-helixtrans-55.8-29.3172.562.20000111.9Q61 Q82 L83 V84Q61-S80 PolarHBondContact NE2-OG 3.14Å; S80-Q82 PolarHBondContact O-N 3.36Å; S80-L83 WeakPolarHBondContact O-CB 3.33Å; S80-L83 PolarHBondContact O-N 3.01Å; S80-L83 VanDerWaalsContact O-N 3.14Å; S80-V84 WeakPolarHBondContact O-CG2 3.47Å; S80-V84 PolarHBondContact O-N 3.49Å
81F76.3Confident73.6Confident150 Ų15050.3 Ų50.366%0.65828%0.278SS*.Hα-helixtrans-61.4-41.5175.4-178.3-95.6000112.9T79 L83 N85T79-F81 PolarHBondContact O-N 3.08Å; T79-F81 VanDerWaalsContact O-N 3.11Å; F81-L83 VanDerWaalsContact C-N 3.35Å; F81-N85 PolarHBondContact O-N 2.96Å; F81-N85 PolarHBondContact O-ND2 2.98Å
82Q78.8Confident74.8Confident42 Ų4253.6 Ų53.620%0.19629%0.294CS..Hα-helixtrans-72.3-29.8173.2-72.5126.5-34.300112.4S77 T79 S80 N85 A86 W89S77-Q82 PolarHBondContact O-NE2 3.45Å; S77-Q82 PolarHBondContact O-OE1 2.96Å; T79-Q82 PolarHBondContact O-N 3.47Å; T79-Q82 PolarHBondContact OG1-N 3.42Å; T79-Q82 PolarHBondContact OG1-OE1 3.05Å; S80-Q82 PolarHBondContact O-N 3.36Å; Q82-N85 CarbonylContact O-C 3.02Å; Q82-N85 WeakPolarHBondContact O-CA 3.39Å; Q82-N85 PolarHBondContact O-N 3.37Å; Q82-N85 VanDerWaalsContact O-N 3.12Å; Q82-A86 VanDerWaalsContact O-CA 3.25Å; Q82-A86 WeakPolarHBondContact O-CA 3.24Å; Q82-A86 PolarHBondContact O-N 2.63Å; Q82-W89 HydrophobicContact CB-CD2 3.85Å; Q82-W89 HydrophobicContact CB-CE3 3.58Å; Q82-W89 HydrophobicContact CB-CG 4.28Å; Q82-W89 HydrophobicContact CB-CZ3 4.08Å; Q82-W89 HydrophobicContact CG-CD2 4.13Å; Q82-W89 HydrophobicContact CG-CE3 4.35Å; Q82-W89 HydrophobicContact CG-CG 4.32Å
83L81.7Confident76.1Confident2 Ų249.6 Ų49.61%0.0127%0.269CS..Hα-helixtrans-67.3-36.4175.5-72-178.5000112.8L12 F15 I45 V49 V60 I64 T79 S80 F81 N85 A86L12-L83 HydrophobicContact CD2-CD1 3.79Å; L12-L83 HydrophobicContact CD2-CD2 3.98Å; F15-L83 HydrophobicContact CD1-CD2 3.69Å; F15-L83 HydrophobicContact CE1-CD2 3.58Å; I45-L83 HydrophobicContact CG2-CD2 4.47Å; V49-L83 HydrophobicContact CB-CB 4.32Å; V49-L83 HydrophobicContact CG1-CB 3.77Å; V49-L83 HydrophobicContact CG1-CD1 4.49Å; V49-L83 HydrophobicContact CG2-CB 4.14Å; V49-L83 HydrophobicContact CG2-CD1 4.26Å; V60-L83 HydrophobicContact CG1-CD1 3.27Å; I64-L83 HydrophobicContact CD1-CD1 3.38Å; I64-L83 HydrophobicContact CD1-CG 3.96Å; T79-L83 PolarHBondContact O-N 2.62Å; S80-L83 WeakPolarHBondContact O-CB 3.33Å; S80-L83 PolarHBondContact O-N 3.01Å; S80-L83 VanDerWaalsContact O-N 3.14Å; F81-L83 VanDerWaalsContact C-N 3.35Å; L83-N85 PolarHBondContact O-N 3.4Å; L83-A86 VanDerWaalsContact O-CB 3.25Å; L83-A86 WeakPolarHBondContact O-CB 3.2Å; L83-A86 PolarHBondContact O-N 2.65Å
84V85Confident77.9Confident59 Ų5943.9 Ų43.936%0.35824%0.242SC..Hα-helixtrans-66.2-17.2172.5174.50000111.9E46 V49 S80E46-V84 WeakPolarHBondContact CG-O 3.26Å; V49-V84 HydrophobicContact CG1-CG2 3.87Å; S80-V84 WeakPolarHBondContact O-CG2 3.47Å; S80-V84 PolarHBondContact O-N 3.49Å
85N85.9Confident79.5Confident54 Ų5443.5 Ų43.529%0.28924%0.241SC..THydrogen-bonded Turntrans-121.435.6174.6-58.1-79.3000110.7F81 Q82 L83 V87 D88 W89F81-N85 PolarHBondContact O-N 2.96Å; F81-N85 PolarHBondContact O-ND2 2.98Å; Q82-N85 CarbonylContact O-C 3.02Å; Q82-N85 WeakPolarHBondContact O-CA 3.39Å; Q82-N85 PolarHBondContact O-N 3.37Å; Q82-N85 VanDerWaalsContact O-N 3.12Å; L83-N85 PolarHBondContact O-N 3.4Å; N85-V87 PolarHBondContact O-N 3Å; N85-V87 VanDerWaalsContact O-N 3.16Å; N85-D88 PolarHBondContact O-N 2.77Å; N85-D88 VanDerWaalsContact O-N 3.12Å; N85-W89 PolarHBondContact O-N 2.84Å
86A88Confident80.9Confident0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-56.5-37.8-168.400000112.3F15 T42 I45 E46 Q82 L83 W89 A90F15-A86 HydrophobicContact CE1-CB 4.03Å; F15-A86 HydrophobicContact CE2-CB 4.17Å; F15-A86 HydrophobicContact CZ-CB 3.59Å; T42-A86 HydrophobicContact CG2-CB 3.61Å; T42-A86 VanDerWaalsContact CG2-O 3.25Å; T42-A86 WeakPolarHBondContact CG2-O 2.93Å; I45-A86 HydrophobicContact CG2-CB 4.49Å; E46-A86 HydrophobicContact CB-CB 4.24Å; E46-A86 PolarHBondContact OE2-N 3.11Å; Q82-A86 VanDerWaalsContact O-CA 3.25Å; Q82-A86 WeakPolarHBondContact O-CA 3.24Å; Q82-A86 PolarHBondContact O-N 2.63Å; L83-A86 VanDerWaalsContact O-CB 3.25Å; L83-A86 WeakPolarHBondContact O-CB 3.2Å; L83-A86 PolarHBondContact O-N 2.65Å; A86-W89 PolarHBondContact O-N 2.88Å; A86-A90 WeakPolarHBondContact O-CB 3.3Å; A86-A90 PolarHBondContact O-N 2.99Å
87V91.8Very high82.4Confident0 Ų036.9 Ų36.90%020%0.198CC..Hα-helixtrans-68.3-44.9-178.8176.10000110.9T42 A43 E46 N85 W89 A90 I91 Y111 R117T42-V87 HydrophobicContact CG2-CB 4.27Å; T42-V87 HydrophobicContact CG2-CG2 3.81Å; A43-V87 HydrophobicContact CB-CG2 3.7Å; E46-V87 HydrophobicContact CB-CG2 4.47Å; E46-V87 VanDerWaalsContact OE2-CB 3.24Å; E46-V87 WeakPolarHBondContact OE2-CB 3.07Å; E46-V87 VanDerWaalsContact OE2-CG2 3.25Å; E46-V87 WeakPolarHBondContact OE2-CG2 2.95Å; E46-V87 PolarHBondContact OE2-N 3.31Å; N85-V87 PolarHBondContact O-N 3Å; N85-V87 VanDerWaalsContact O-N 3.16Å; V87-W89 VanDerWaalsContact C-N 3.26Å; V87-W89 PolarHBondContact O-N 3.31Å; V87-A90 PolarHBondContact O-N 3.47Å; V87-I91 HydrophobicContact CG1-CD1 3.71Å; V87-I91 HydrophobicContact CG1-CG1 4.43Å; V87-I91 WeakPolarHBondContact O-CB 3.45Å; V87-I91 WeakPolarHBondContact O-CD1 3.28Å; V87-I91 VanDerWaalsContact O-CG1 3.23Å; V87-I91 WeakPolarHBondContact O-CG1 3.46Å; V87-I91 PolarHBondContact O-N 3.01Å; V87-Y111 HydrophobicContact CG1-CE1 3.88Å; V87-R117 VanDerWaalsContact CB-CZ 3.46Å
88D90.1Very high83.5Confident61 Ų6137.2 Ų37.233%0.32620%0.199SC..Hα-helixtrans-64-37.9179.3-66.6-19.5000110.7N85 I91 E92 R117N85-D88 PolarHBondContact O-N 2.77Å; N85-D88 VanDerWaalsContact O-N 3.12Å; D88-I91 PolarHBondContact O-N 3.32Å; D88-E92 WeakPolarHBondContact O-CB 3.46Å; D88-E92 PolarHBondContact O-N 3.24Å; D88-R117 VanDerWaalsContact CG-NH1 3.33Å; D88-R117 IonicContact OD1-CZ 3.62Å; D88-R117 IonicContact OD1-NH1 3.47Å; D88-R117 PolarHBondContact OD1-NH1 2.92Å; D88-R117 IonicContact OD2-NH1 2.75Å
89W87.3Confident84.2Confident38 Ų3840.2 Ų40.214%0.14421%0.209CC..Hα-helixtrans-69.4-40.6176.9-175.934.7000112.8F15 L19 V78 Q82 N85 A86 V87 I91 E92 S93F15-W89 HydrophobicContact CE1-CE3 4.08Å; F15-W89 AromaticContact CE1-CZ3 3.87Å; F15-W89 HydrophobicContact CE1-CZ3 3.87Å; F15-W89 HydrophobicContact CZ-CE3 4.1Å; F15-W89 HydrophobicContact CZ-CZ3 4.28Å; L19-W89 HydrophobicContact CD1-CD2 4.41Å; L19-W89 HydrophobicContact CD1-CE3 3.75Å; L19-W89 HydrophobicContact CD1-CH2 3.27Å; L19-W89 HydrophobicContact CD1-CZ2 4.05Å; L19-W89 HydrophobicContact CD1-CZ3 3.15Å; L19-W89 HydrophobicContact CD2-CD2 4.35Å; L19-W89 HydrophobicContact CD2-CE3 4.32Å; L19-W89 HydrophobicContact CD2-CZ3 4.48Å; L19-W89 HydrophobicContact CG-CH2 4.46Å; L19-W89 HydrophobicContact CG-CZ3 4.41Å; V78-W89 HydrophobicContact CB-CH2 3.85Å; V78-W89 HydrophobicContact CB-CZ3 4.37Å; V78-W89 HydrophobicContact CG1-CH2 3.53Å; V78-W89 HydrophobicContact CG1-CZ3 3.56Å; V78-W89 HydrophobicContact CG2-CH2 3.21Å; V78-W89 HydrophobicContact CG2-CZ2 3.81Å; V78-W89 HydrophobicContact CG2-CZ3 4.16Å; Q82-W89 HydrophobicContact CB-CD2 3.85Å; Q82-W89 HydrophobicContact CB-CE3 3.58Å; Q82-W89 HydrophobicContact CB-CG 4.28Å; Q82-W89 HydrophobicContact CB-CZ3 4.08Å; Q82-W89 HydrophobicContact CG-CD2 4.13Å; Q82-W89 HydrophobicContact CG-CE3 4.35Å; Q82-W89 HydrophobicContact CG-CG 4.32Å; N85-W89 PolarHBondContact O-N 2.84Å; A86-W89 PolarHBondContact O-N 2.88Å; V87-W89 VanDerWaalsContact C-N 3.26Å; V87-W89 PolarHBondContact O-N 3.31Å; W89-I91 VanDerWaalsContact C-N 3.34Å; W89-I91 PolarHBondContact O-N 3.44Å; W89-E92 PolarHBondContact O-N 3.06Å; W89-S93 WeakPolarHBondContact O-CB 3.48Å; W89-S93 PolarHBondContact O-N 3.46Å
90A90.4Very high84.9Confident0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-61.7-42.1172.200000112F18 L19 L39 T42 A86 V87 S93 L94F18-A90 HydrophobicContact CE1-CB 3.71Å; F18-A90 HydrophobicContact CZ-CB 4.37Å; L19-A90 HydrophobicContact CD2-CB 4.25Å; L39-A90 HydrophobicContact CD2-CB 4.33Å; T42-A90 HydrophobicContact CG2-CB 4.03Å; A86-A90 WeakPolarHBondContact O-CB 3.3Å; A86-A90 PolarHBondContact O-N 2.99Å; V87-A90 PolarHBondContact O-N 3.47Å; A90-S93 PolarHBondContact O-N 3.4Å; A90-L94 WeakPolarHBondContact O-CB 3.28Å; A90-L94 WeakPolarHBondContact O-CG 3.25Å; A90-L94 PolarHBondContact O-N 3.22Å
91I91.9Very high85.7Confident8 Ų838.6 Ų38.64%0.04120%0.2CC..Hα-helixtrans-61.9-47.5175.5-71.3163.2000110.1L39 V87 D88 W89 S93 L94 C95 I108 P120L39-I91 HydrophobicContact CD2-CG1 3.85Å; V87-I91 HydrophobicContact CG1-CD1 3.71Å; V87-I91 HydrophobicContact CG1-CG1 4.43Å; V87-I91 WeakPolarHBondContact O-CB 3.45Å; V87-I91 WeakPolarHBondContact O-CD1 3.28Å; V87-I91 VanDerWaalsContact O-CG1 3.23Å; V87-I91 WeakPolarHBondContact O-CG1 3.46Å; V87-I91 PolarHBondContact O-N 3.01Å; D88-I91 PolarHBondContact O-N 3.32Å; W89-I91 VanDerWaalsContact C-N 3.34Å; W89-I91 PolarHBondContact O-N 3.44Å; I91-S93 VanDerWaalsContact C-N 3.35Å; I91-S93 PolarHBondContact O-N 2.99Å; I91-L94 PolarHBondContact O-N 3.47Å; I91-C95 VanDerWaalsContact O-CB 3.25Å; I91-C95 WeakPolarHBondContact O-CB 3.5Å; I91-C95 PolarHBondContact O-N 2.89Å; I91-C95 PolarHBondContact O-SG 3.21Å; I91-I108 HydrophobicContact CG1-CG2 4.24Å; I91-I108 HydrophobicContact CG2-CG2 3.9Å; I91-P120 HydrophobicContact CG2-CB 3.97Å
92E88.2Confident86.1Confident136 Ų13637.1 Ų37.164%0.63620%0.195SC*.Hα-helixtrans-59.4-46.5178-175177.4-167.500111.3D88 W89 C95 S96D88-E92 WeakPolarHBondContact O-CB 3.46Å; D88-E92 PolarHBondContact O-N 3.24Å; W89-E92 PolarHBondContact O-N 3.06Å; E92-C95 PolarHBondContact O-N 2.8Å; E92-S96 WeakPolarHBondContact O-CB 3.4Å; E92-S96 PolarHBondContact O-N 2.85Å
93S85.9Confident86.5Confident15 Ų1539.6 Ų39.611%0.10521%0.213CC..Hα-helixtrans-60.1-48.4177.6-171.20000111.6T22 W89 A90 I91 C95 S96 N97T22-S93 WeakPolarHBondContact OG1-CB 3.48Å; T22-S93 PolarHBondContact OG1-OG 3.33Å; W89-S93 WeakPolarHBondContact O-CB 3.48Å; W89-S93 PolarHBondContact O-N 3.46Å; A90-S93 PolarHBondContact O-N 3.4Å; I91-S93 VanDerWaalsContact C-N 3.35Å; I91-S93 PolarHBondContact O-N 2.99Å; S93-C95 PolarHBondContact O-N 3.37Å; S93-S96 PolarHBondContact O-N 2.97Å; S93-S96 PolarHBondContact O-OG 3.12Å; S93-N97 PolarHBondContact O-N 3.06Å
94L90.1Very high87Confident0 Ų039.6 Ų39.60%021%0.213CC..Hα-helixtrans-58.9-45.9174.8-81.2167.6000112.7F18 T22 V27 W30 I35 L39 A90 I91 S96 N97 L100 I108F18-L94 HydrophobicContact CZ-CD1 4.38Å; T22-L94 HydrophobicContact CG2-CD1 4.42Å; T22-L94 HydrophobicContact CG2-CD2 3.75Å; T22-L94 HydrophobicContact CG2-CG 3.7Å; V27-L94 HydrophobicContact CG1-CD2 4.23Å; W30-L94 HydrophobicContact CE3-CD2 4.13Å; W30-L94 HydrophobicContact CZ3-CD2 3.72Å; I35-L94 HydrophobicContact CG2-CD1 4.41Å; L39-L94 HydrophobicContact CD2-CD1 4.31Å; A90-L94 WeakPolarHBondContact O-CB 3.28Å; A90-L94 WeakPolarHBondContact O-CG 3.25Å; A90-L94 PolarHBondContact O-N 3.22Å; I91-L94 PolarHBondContact O-N 3.47Å; L94-S96 PolarHBondContact O-N 3.16Å; L94-N97 WeakPolarHBondContact O-CB 3.38Å; L94-N97 PolarHBondContact O-N 3.45Å; L94-N97 VanDerWaalsContact O-N 3.09Å; L94-L100 HydrophobicContact CD2-CD1 4.1Å; L94-I108 HydrophobicContact CB-CD1 3.79Å; L94-I108 HydrophobicContact CD1-CD1 3.9Å; L94-I108 HydrophobicContact CG-CD1 4.36Å
95C88.4Confident87.3Confident5 Ų538.3 Ų38.33%0.03420%0.202CC..Hα-helixtrans-70.5-22.6-177.7-670000112.8I91 E92 S93 N97 P120 F122 N123I91-C95 VanDerWaalsContact O-CB 3.25Å; I91-C95 WeakPolarHBondContact O-CB 3.5Å; I91-C95 PolarHBondContact O-N 2.89Å; I91-C95 PolarHBondContact O-SG 3.21Å; E92-C95 PolarHBondContact O-N 2.8Å; S93-C95 PolarHBondContact O-N 3.37Å; C95-N97 VanDerWaalsContact C-N 3.34Å; C95-P120 WeakPolarHBondContact SG-CB 3.47Å; C95-F122 HydrophobicContact CB-CD1 3.92Å; C95-F122 HydrophobicContact CB-CE1 4.26Å; C95-F122 WeakPolarHBondContact SG-CE1 3.11Å; C95-N123 PolarHBondContact O-N 2.58Å
96S84.9Confident87.4Confident56 Ų5639.3 Ų39.339%0.39221%0.208SC..Hα-helixtrans-77.4-19.9172.181.10000113E92 S93 L94E92-S96 WeakPolarHBondContact O-CB 3.4Å; E92-S96 PolarHBondContact O-N 2.85Å; S93-S96 PolarHBondContact O-N 2.97Å; S93-S96 PolarHBondContact O-OG 3.12Å; L94-S96 PolarHBondContact O-N 3.16Å
97N83.1Confident87.6Confident4 Ų439.5 Ų39.52%0.02121%0.209CC..  trans-75120.9-176.8-169.4-47.8000111.4T22 Q24 V27 S93 L94 C95 Y99 L100T22-N97 WeakPolarHBondContact O-CB 3.42Å; T22-N97 PolarHBondContact O-ND2 3.07Å; Q24-N97 PolarHBondContact O-ND2 2.92Å; V27-N97 WeakPolarHBondContact CG2-ND2 3.28Å; S93-N97 PolarHBondContact O-N 3.06Å; L94-N97 WeakPolarHBondContact O-CB 3.38Å; L94-N97 PolarHBondContact O-N 3.45Å; L94-N97 VanDerWaalsContact O-N 3.09Å; C95-N97 VanDerWaalsContact C-N 3.34Å; N97-Y99 PolarHBondContact O-N 3.29Å; N97-Y99 WeakPolarHBondContact OD1-CA 3.47Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.42Å; N97-Y99 WeakPolarHBondContact OD1-CD2 3.36Å; N97-Y99 PolarHBondContact OD1-N 2.85Å; N97-L100 PolarHBondContact O-N 3.41Å
98P78.4Confident87.6Confident58 Ų5839.5 Ų39.538%0.37721%0.209SC..THydrogen-bonded Turntrans-66-25.4-177.926.7-34000112.9L100 Y125P98-L100 VanDerWaalsContact C-N 3.33Å; P98-L100 PolarHBondContact O-N 3.4Å; P98-Y125 HydrophobicContact CB-CD2 4.14Å; P98-Y125 HydrophobicContact CB-CE2 3.73Å; P98-Y125 VanDerWaalsContact O-CE2 3.25Å; P98-Y125 WeakPolarHBondContact O-CE2 3.45Å
99Y82.3Confident87.6Confident75 Ų7540.6 Ų40.629%0.29421%0.211SC..THydrogen-bonded Turntrans-86-1.4-175.1-53.5-67.7000114.2Y25 N97 S101Y25-Y99 AromaticContact CD2-CD1 3.65Å; Y25-Y99 HydrophobicContact CD2-CD1 3.65Å; Y25-Y99 AromaticContact CD2-CD2 3.93Å; Y25-Y99 HydrophobicContact CD2-CD2 3.93Å; Y25-Y99 AromaticContact CD2-CE1 3.72Å; Y25-Y99 HydrophobicContact CD2-CE1 3.72Å; Y25-Y99 AromaticContact CD2-CE2 3.98Å; Y25-Y99 HydrophobicContact CD2-CE2 3.98Å; Y25-Y99 AromaticContact CD2-CG 3.75Å; Y25-Y99 HydrophobicContact CD2-CG 3.75Å; Y25-Y99 AromaticContact CD2-CZ 3.87Å; Y25-Y99 AromaticContact CE2-CD1 3.9Å; Y25-Y99 HydrophobicContact CE2-CD1 3.9Å; Y25-Y99 HydrophobicContact CE2-CE1 4.03Å; Y25-Y99 HydrophobicContact CE2-CG 4.35Å; N97-Y99 PolarHBondContact O-N 3.29Å; N97-Y99 WeakPolarHBondContact OD1-CA 3.47Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.42Å; N97-Y99 WeakPolarHBondContact OD1-CD2 3.36Å; N97-Y99 PolarHBondContact OD1-N 2.85Å; Y99-S101 PolarHBondContact O-N 3.03Å
100L83.9Confident87.7Confident5 Ų543.3 Ų43.33%0.02623%0.225CC..  trans-64.8115.2176.8-168.174.8000110.7V27 I35 L94 N97 P98 N104 R105 I108 F122V27-L100 HydrophobicContact CG1-CB 4.35Å; V27-L100 HydrophobicContact CG1-CD1 3.47Å; V27-L100 VanDerWaalsContact CG1-CD1 3.47Å; I35-L100 HydrophobicContact CD1-CD1 3.91Å; L94-L100 HydrophobicContact CD2-CD1 4.1Å; N97-L100 PolarHBondContact O-N 3.41Å; P98-L100 VanDerWaalsContact C-N 3.33Å; P98-L100 PolarHBondContact O-N 3.4Å; L100-N104 HydrophobicContact CD1-CB 3.63Å; L100-N104 HydrophobicContact CG-CB 3.94Å; L100-R105 HydrophobicContact CD2-CG 3.7Å; L100-R105 HydrophobicContact CG-CG 4.1Å; L100-R105 PolarHBondContact O-NE 3.17Å; L100-I108 HydrophobicContact CD1-CD1 4.41Å; L100-I108 HydrophobicContact CD2-CD1 3.66Å; L100-F122 HydrophobicContact CD2-CE1 4.16Å
101S86.2Confident87.8Confident43 Ų4344.5 Ų44.530%0.30123%0.23SC..  trans-62.9157.6-179.572.40000112.3Y99 T103 N104 R105Y99-S101 PolarHBondContact O-N 3.03Å; S101-T103 VanDerWaalsContact C-N 3.33Å; S101-T103 PolarHBondContact O-N 3.21Å; S101-N104 WeakPolarHBondContact O-CB 3.45Å; S101-N104 PolarHBondContact O-N 3.43Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-N104 WeakPolarHBondContact OG-CB 3.37Å; S101-N104 VanDerWaalsContact OG-CG 3.23Å; S101-N104 PolarHBondContact OG-N 2.8Å; S101-N104 PolarHBondContact OG-ND2 3.46Å; S101-R105 WeakPolarHBondContact O-CG 2.9Å; S101-R105 PolarHBondContact O-N 3.13Å
102Q84.8Confident87.8Confident119 Ų11944.1 Ų44.156%0.55623%0.228SC*.Hα-helixtrans-59.7-43.1178.1-172.759.238.900112.1N104 R105 D106Q102-N104 PolarHBondContact O-N 2.85Å; Q102-R105 WeakPolarHBondContact O-CA 3.37Å; Q102-R105 WeakPolarHBondContact O-CB 3.38Å; Q102-R105 PolarHBondContact O-N 3.36Å; Q102-D106 PolarHBondContact NE2-OD1 3.17Å; Q102-D106 VanDerWaalsContact O-CG 3.23Å; Q102-D106 PolarHBondContact O-N 2.83Å
103T89.1Confident87.8Confident93 Ų9342.1 Ų42.157%0.57122%0.221SC*.Hα-helixtrans-56.3-38.2175.8-440000112S32 S101 C107S32-T103 WeakPolarHBondContact OG-CG2 3.5Å; S101-T103 VanDerWaalsContact C-N 3.33Å; S101-T103 PolarHBondContact O-N 3.21Å; T103-C107 VanDerWaalsContact O-CB 3.28Å; T103-C107 WeakPolarHBondContact O-CB 3.3Å; T103-C107 PolarHBondContact O-N 3.48Å
104N91.4Very high88Confident2 Ų247.6 Ų47.61%0.01125%0.249CC..Hα-helixtrans-74.1-34.5177-73.6-11.3000112.4W30 S32 I35 L100 S101 Q102 C107 I108W30-N104 PolarHBondContact O-ND2 2.97Å; S32-N104 WeakPolarHBondContact CA-OD1 3.3Å; S32-N104 PolarHBondContact N-OD1 3.18Å; S32-N104 PolarHBondContact OG-OD1 3.33Å; I35-N104 HydrophobicContact CD1-CB 3.39Å; L100-N104 HydrophobicContact CD1-CB 3.63Å; L100-N104 HydrophobicContact CG-CB 3.94Å; S101-N104 WeakPolarHBondContact O-CB 3.45Å; S101-N104 PolarHBondContact O-N 3.43Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-N104 WeakPolarHBondContact OG-CB 3.37Å; S101-N104 VanDerWaalsContact OG-CG 3.23Å; S101-N104 PolarHBondContact OG-N 2.8Å; S101-N104 PolarHBondContact OG-ND2 3.46Å; Q102-N104 PolarHBondContact O-N 2.85Å; N104-C107 WeakPolarHBondContact O-CB 3.19Å; N104-C107 PolarHBondContact O-N 3.47Å; N104-I108 VanDerWaalsContact O-CG1 3.29Å; N104-I108 WeakPolarHBondContact O-CG1 3.27Å; N104-I108 PolarHBondContact O-N 3.1Å
105R90.4Very high88Confident32 Ų3250.2 Ų50.212%0.12127%0.265CS..Hα-helixtrans-61.6-46.8171-65.8171.8-175.7-115.2-5.5110.9L100 S101 Q102 C107 I108 F109 F122L100-R105 HydrophobicContact CD2-CG 3.7Å; L100-R105 HydrophobicContact CG-CG 4.1Å; L100-R105 PolarHBondContact O-NE 3.17Å; S101-R105 WeakPolarHBondContact O-CG 2.9Å; S101-R105 PolarHBondContact O-N 3.13Å; Q102-R105 WeakPolarHBondContact O-CA 3.37Å; Q102-R105 WeakPolarHBondContact O-CB 3.38Å; Q102-R105 PolarHBondContact O-N 3.36Å; R105-C107 VanDerWaalsContact C-N 3.33Å; R105-C107 PolarHBondContact O-N 2.96Å; R105-I108 PolarHBondContact O-N 2.71Å; R105-F109 WeakPolarHBondContact O-CB 3.48Å; R105-F109 PolarHBondContact O-N 3.33Å; R105-F122 HydrophobicContact CB-CD1 4.2Å; R105-F122 HydrophobicContact CB-CE1 3.67Å; R105-F122 HydrophobicContact CB-CE2 4.23Å; R105-F122 HydrophobicContact CB-CZ 3.69Å; R105-F122 HydrophobicContact CG-CD1 3.77Å; R105-F122 HydrophobicContact CG-CE1 3.61Å; R105-F122 HydrophobicContact CG-CG 4.43Å; R105-F122 HydrophobicContact CG-CZ 4.16Å; R105-F122 WeakPolarHBondContact O-CZ 3.4Å
106D88.2Confident88.1Confident76 Ų7657.5 Ų57.541%0.40630%0.304SS..Hα-helixtrans-61.7-43.5177.7-59.4-24.3000110.7Q102 I108 F109 E110Q102-D106 PolarHBondContact NE2-OD1 3.17Å; Q102-D106 VanDerWaalsContact O-CG 3.23Å; Q102-D106 PolarHBondContact O-N 2.83Å; D106-I108 PolarHBondContact O-N 3.03Å; D106-F109 WeakPolarHBondContact O-CB 3.38Å; D106-F109 PolarHBondContact O-N 3.11Å; D106-E110 WeakPolarHBondContact O-CG 3.43Å; D106-E110 PolarHBondContact O-N 2.79Å
107C92.8Very high88.2Confident4 Ų457.4 Ų57.43%0.02730%0.295CS..Hα-helixtrans-58.7-43.1175174.80000113.5S32 K36 T103 N104 R105 F109 Y111S32-C107 PolarHBondContact O-SG 3.16Å; K36-C107 WeakPolarHBondContact CE-SG 3.47Å; K36-C107 WeakPolarHBondContact CG-SG 3.48Å; T103-C107 VanDerWaalsContact O-CB 3.28Å; T103-C107 WeakPolarHBondContact O-CB 3.3Å; T103-C107 PolarHBondContact O-N 3.48Å; N104-C107 WeakPolarHBondContact O-CB 3.19Å; N104-C107 PolarHBondContact O-N 3.47Å; R105-C107 VanDerWaalsContact C-N 3.33Å; R105-C107 PolarHBondContact O-N 2.96Å; C107-F109 VanDerWaalsContact C-N 3.35Å; C107-Y111 WeakPolarHBondContact O-CB 3.49Å; C107-Y111 PolarHBondContact O-N 2.88Å
108I92.1Very high88.4Confident0 Ų065.3 Ų65.30%033%0.329CS..Hα-helixtrans-68-40.1176.4-66.5171.4000109.9I35 L39 I91 L94 L100 N104 R105 D106 Y111 C112 P120I35-I108 HydrophobicContact CG2-CD1 4.36Å; I35-I108 HydrophobicContact CG2-CG1 3.77Å; L39-I108 HydrophobicContact CD1-CG1 4.42Å; I91-I108 HydrophobicContact CG1-CG2 4.24Å; I91-I108 HydrophobicContact CG2-CG2 3.9Å; L94-I108 HydrophobicContact CB-CD1 3.79Å; L94-I108 HydrophobicContact CD1-CD1 3.9Å; L94-I108 HydrophobicContact CG-CD1 4.36Å; L100-I108 HydrophobicContact CD1-CD1 4.41Å; L100-I108 HydrophobicContact CD2-CD1 3.66Å; N104-I108 VanDerWaalsContact O-CG1 3.29Å; N104-I108 WeakPolarHBondContact O-CG1 3.27Å; N104-I108 PolarHBondContact O-N 3.1Å; R105-I108 PolarHBondContact O-N 2.71Å; D106-I108 PolarHBondContact O-N 3.03Å; I108-Y111 PolarHBondContact O-N 3.19Å; I108-C112 PolarHBondContact O-N 2.79Å; I108-C112 PolarHBondContact O-SG 3.35Å; I108-C112 VanDerWaalsContact O-SG 3.36Å; I108-P120 HydrophobicContact CG2-CG 4.21Å
109F89.1Confident88.6Confident83 Ų8366.5 Ų66.536%0.36433%0.332SS..Hα-helixtrans-62.2-46.8177.6-169.8-91.2000111.8R105 D106 C107 Y111 C112 L113 L119 P120R105-F109 WeakPolarHBondContact O-CB 3.48Å; R105-F109 PolarHBondContact O-N 3.33Å; D106-F109 WeakPolarHBondContact O-CB 3.38Å; D106-F109 PolarHBondContact O-N 3.11Å; C107-F109 VanDerWaalsContact C-N 3.35Å; F109-Y111 VanDerWaalsContact C-N 3.35Å; F109-Y111 PolarHBondContact O-N 3.08Å; F109-C112 PolarHBondContact O-N 3.13Å; F109-L113 HydrophobicContact CD1-CD1 3.82Å; F109-L113 HydrophobicContact CD1-CG 4.36Å; F109-L113 HydrophobicContact CE1-CD1 3.59Å; F109-L113 HydrophobicContact CE1-CG 4.17Å; F109-L113 WeakPolarHBondContact O-CG 3.5Å; F109-L113 PolarHBondContact O-N 3.26Å; F109-L119 HydrophobicContact CD2-CD2 4.22Å; F109-L119 HydrophobicContact CE2-CB 4.38Å; F109-L119 HydrophobicContact CE2-CD1 4.04Å; F109-L119 HydrophobicContact CE2-CD2 3.79Å; F109-L119 HydrophobicContact CE2-CG 4.29Å; F109-L119 HydrophobicContact CZ-CD1 4.08Å; F109-L119 HydrophobicContact CZ-CD2 4Å; F109-P120 HydrophobicContact CD2-CG 4.28Å
110E91.1Very high88.6Confident95 Ų9563.8 Ų63.844%0.44432%0.323SS..Hα-helixtrans-55.4-48.6171.4-75.6177.6-179.300111.2K36 D106 C112 L113 D114K36-E110 IonicContact NZ-OE2 3.23Å; K36-E110 PolarHBondContact NZ-OE2 2.93Å; K36-E110 VanDerWaalsContact NZ-OE2 3.15Å; D106-E110 WeakPolarHBondContact O-CG 3.43Å; D106-E110 PolarHBondContact O-N 2.79Å; E110-C112 VanDerWaalsContact C-N 3.33Å; E110-C112 PolarHBondContact O-N 3.37Å; E110-L113 WeakPolarHBondContact O-CB 3.31Å; E110-L113 PolarHBondContact O-N 3.39Å; E110-L113 VanDerWaalsContact O-N 3.13Å; E110-D114 PolarHBondContact O-N 2.87Å
111Y92.6Very high88.2Confident26 Ų2671.4 Ų71.410%0.10236%0.359CS..Hα-helixtrans-59.6-42.3179.4-177.9-88.4000112.4L39 V87 C107 I108 F109 L113 D114 T115L39-Y111 HydrophobicContact CB-CD1 4.35Å; L39-Y111 HydrophobicContact CB-CD2 4.27Å; L39-Y111 HydrophobicContact CB-CE1 3.96Å; L39-Y111 HydrophobicContact CB-CE2 3.87Å; L39-Y111 HydrophobicContact CB-CG 4.49Å; L39-Y111 HydrophobicContact CD1-CD1 3.71Å; L39-Y111 HydrophobicContact CD1-CD2 4.21Å; L39-Y111 HydrophobicContact CD1-CE1 4.12Å; L39-Y111 HydrophobicContact CD1-CG 3.75Å; L39-Y111 PolarHBondContact O-OH 3.13Å; V87-Y111 HydrophobicContact CG1-CE1 3.88Å; C107-Y111 WeakPolarHBondContact O-CB 3.49Å; C107-Y111 PolarHBondContact O-N 2.88Å; I108-Y111 PolarHBondContact O-N 3.19Å; F109-Y111 VanDerWaalsContact C-N 3.35Å; F109-Y111 PolarHBondContact O-N 3.08Å; Y111-L113 VanDerWaalsContact C-N 3.33Å; Y111-L113 PolarHBondContact O-N 3.17Å; Y111-D114 PolarHBondContact O-N 3.01Å; Y111-T115 HydrophobicContact CD1-CG2 4.37Å; Y111-T115 HydrophobicContact CE1-CG2 3.99Å; Y111-T115 HydrophobicContact CE2-CG2 4.14Å; Y111-T115 WeakPolarHBondContact O-CB 3.15Å; Y111-T115 WeakPolarHBondContact O-CG2 3.42Å; Y111-T115 PolarHBondContact O-N 2.78Å; Y111-T115 PolarHBondContact O-OG1 2.97Å
112C90.6Very high87.6Confident0 Ų071.9 Ų71.90%036%0.356CS..Hα-helixtrans-64-38.4176.4-69.60000112.2I108 F109 E110 N116 R117 L119I108-C112 PolarHBondContact O-N 2.79Å; I108-C112 PolarHBondContact O-SG 3.35Å; I108-C112 VanDerWaalsContact O-SG 3.36Å; F109-C112 PolarHBondContact O-N 3.13Å; E110-C112 VanDerWaalsContact C-N 3.33Å; E110-C112 PolarHBondContact O-N 3.37Å; C112-N116 PolarHBondContact O-N 2.94Å; C112-N116 VanDerWaalsContact O-N 3.11Å; C112-R117 HydrophobicContact CB-CB 4.37Å; C112-R117 PolarHBondContact O-N 3.22Å; C112-L119 HydrophobicContact CB-CD2 4.27Å
113L88.5Confident86.6Confident93 Ų9371 Ų7149%0.48736%0.355SS..Hα-helixtrans-64-49.2174.4-72.3173.6000111.3F109 E110 Y111 T115 N116 L119F109-L113 HydrophobicContact CD1-CD1 3.82Å; F109-L113 HydrophobicContact CD1-CG 4.36Å; F109-L113 HydrophobicContact CE1-CD1 3.59Å; F109-L113 HydrophobicContact CE1-CG 4.17Å; F109-L113 WeakPolarHBondContact O-CG 3.5Å; F109-L113 PolarHBondContact O-N 3.26Å; E110-L113 WeakPolarHBondContact O-CB 3.31Å; E110-L113 PolarHBondContact O-N 3.39Å; E110-L113 VanDerWaalsContact O-N 3.13Å; Y111-L113 VanDerWaalsContact C-N 3.33Å; Y111-L113 PolarHBondContact O-N 3.17Å; L113-T115 PolarHBondContact O-N 3.43Å; L113-N116 PolarHBondContact O-N 2.83Å; L113-L119 HydrophobicContact CD2-CD2 3.84Å; L113-L119 HydrophobicContact CG-CD2 4.11Å
114D90.7Very high84.6Confident130 Ų13076 Ų7670%0.69537%0.369SS*.Hα-helixtrans-63-29.4-178.2-71.9-16000112.6E110 Y111E110-D114 PolarHBondContact O-N 2.87Å; Y111-D114 PolarHBondContact O-N 3.01Å
115T89.4Confident82.3Confident55 Ų5578.7 Ų78.734%0.33738%0.379SS..THydrogen-bonded Turntrans-102.86.4-177.559.20000114.1Y111 L113 R117Y111-T115 HydrophobicContact CD1-CG2 4.37Å; Y111-T115 HydrophobicContact CE1-CG2 3.99Å; Y111-T115 HydrophobicContact CE2-CG2 4.14Å; Y111-T115 WeakPolarHBondContact O-CB 3.15Å; Y111-T115 WeakPolarHBondContact O-CG2 3.42Å; Y111-T115 PolarHBondContact O-N 2.78Å; Y111-T115 PolarHBondContact O-OG1 2.97Å; L113-T115 PolarHBondContact O-N 3.43Å; T115-R117 PolarHBondContact O-N 3.3Å; T115-R117 WeakPolarHBondContact OG1-CG 3.29Å
116N89.8Confident80.1Confident158 Ų15884.9 Ų84.985%0.84540%0.404SS*.THydrogen-bonded Turntrans52.135.1-176-66.1-51.8000113.9C112 L113C112-N116 PolarHBondContact O-N 2.94Å; C112-N116 VanDerWaalsContact O-N 3.11Å; L113-N116 PolarHBondContact O-N 2.83Å
117R88.9Confident77.9Confident54 Ų5485.1 Ų85.120%0.20441%0.409CS..PPolyproline II helixtrans-88.3164.8176.4-71.9-177.1178.1-91.7-1.7111.5E46 V87 D88 C112 T115 L119E46-R117 VanDerWaalsContact CD-NH2 3.35Å; E46-R117 IonicContact OE1-CZ 3.31Å; E46-R117 IonicContact OE1-NH1 2.71Å; E46-R117 IonicContact OE1-NH2 3.76Å; E46-R117 PolarHBondContact OE1-NH2 3.26Å; E46-R117 IonicContact OE2-CZ 2.65Å; E46-R117 IonicContact OE2-NH1 2.8Å; E46-R117 PolarHBondContact OE2-NH1 3.11Å; E46-R117 IonicContact OE2-NH2 3.74Å; E46-R117 PolarHBondContact OE2-NH2 3.19Å; V87-R117 VanDerWaalsContact CB-CZ 3.46Å; D88-R117 VanDerWaalsContact CG-NH1 3.33Å; D88-R117 IonicContact OD1-CZ 3.62Å; D88-R117 IonicContact OD1-NH1 3.47Å; D88-R117 PolarHBondContact OD1-NH1 2.92Å; D88-R117 IonicContact OD2-NH1 2.75Å; C112-R117 HydrophobicContact CB-CB 4.37Å; C112-R117 PolarHBondContact O-N 3.22Å; T115-R117 PolarHBondContact O-N 3.3Å; T115-R117 WeakPolarHBondContact OG1-CG 3.29Å; R117-L119 PolarHBondContact O-N 2.85Å
118K85.3Confident75.6Confident171 Ų17191.5 Ų91.574%0.74344%0.438SS*.PPolyproline II helixtrans-58.9130174.5-174.7-179.7176.2-173.60109.5
119L84.5Confident73.5Confident82 Ų8295.2 Ų95.243%0.42946%0.458SS..PPolyproline II helixtrans-61.4134.1177.7-66.7179.3000110.3F109 C112 L113 R117F109-L119 HydrophobicContact CD2-CD2 4.22Å; F109-L119 HydrophobicContact CE2-CB 4.38Å; F109-L119 HydrophobicContact CE2-CD1 4.04Å; F109-L119 HydrophobicContact CE2-CD2 3.79Å; F109-L119 HydrophobicContact CE2-CG 4.29Å; F109-L119 HydrophobicContact CZ-CD1 4.08Å; F109-L119 HydrophobicContact CZ-CD2 4Å; C112-L119 HydrophobicContact CB-CD2 4.27Å; L113-L119 HydrophobicContact CD2-CD2 3.84Å; L113-L119 HydrophobicContact CG-CD2 4.11Å; R117-L119 PolarHBondContact O-N 2.85Å
120P82.4Confident71.5Confident19 Ų1997.3 Ų97.312%0.12347%0.469CS..PPolyproline II helixtrans-65.9138.6-176.126.2-33.7000110.8I91 C95 I108 F109 F122I91-P120 HydrophobicContact CG2-CB 3.97Å; C95-P120 WeakPolarHBondContact SG-CB 3.47Å; I108-P120 HydrophobicContact CG2-CG 4.21Å; F109-P120 HydrophobicContact CD2-CG 4.28Å; P120-F122 HydrophobicContact CB-CE1 4.39Å; P120-F122 HydrophobicContact CB-CE2 4.22Å; P120-F122 HydrophobicContact CB-CZ 4.05Å; P120-F122 HydrophobicContact CG-CD2 4.48Å; P120-F122 HydrophobicContact CG-CE1 4.36Å; P120-F122 HydrophobicContact CG-CE2 3.65Å; P120-F122 HydrophobicContact CG-CZ 3.57Å
121Q75.3Confident69.9Low164 Ų164100.8 Ų100.877%0.76648%0.482SS*.  trans-90.8102.6161.4-69.2-172-1.600107.5N123Q121-N123 PolarHBondContact O-N 3.29Å
122F73.5Confident68.1Low54 Ų54101.7 Ų101.724%0.23749%0.489CS..  trans-68.4125.1169-61.5-74000108.2C95 L100 R105 P120 K124C95-F122 HydrophobicContact CB-CD1 3.92Å; C95-F122 HydrophobicContact CB-CE1 4.26Å; C95-F122 WeakPolarHBondContact SG-CE1 3.11Å; L100-F122 HydrophobicContact CD2-CE1 4.16Å; R105-F122 HydrophobicContact CB-CD1 4.2Å; R105-F122 HydrophobicContact CB-CE1 3.67Å; R105-F122 HydrophobicContact CB-CE2 4.23Å; R105-F122 HydrophobicContact CB-CZ 3.69Å; R105-F122 HydrophobicContact CG-CD1 3.77Å; R105-F122 HydrophobicContact CG-CE1 3.61Å; R105-F122 HydrophobicContact CG-CG 4.43Å; R105-F122 HydrophobicContact CG-CZ 4.16Å; R105-F122 WeakPolarHBondContact O-CZ 3.4Å; P120-F122 HydrophobicContact CB-CE1 4.39Å; P120-F122 HydrophobicContact CB-CE2 4.22Å; P120-F122 HydrophobicContact CB-CZ 4.05Å; P120-F122 HydrophobicContact CG-CD2 4.48Å; P120-F122 HydrophobicContact CG-CE1 4.36Å; P120-F122 HydrophobicContact CG-CE2 3.65Å; P120-F122 HydrophobicContact CG-CZ 3.57Å; F122-K124 PolarHBondContact O-N 3.15Å
123N62.3Low67.2Low101 Ų101104.9 Ų104.954%0.5451%0.509SS..  trans-53.8124.6171.6-83.1-20.5000107.5C95 Q121 Y125C95-N123 PolarHBondContact O-N 2.58Å; Q121-N123 PolarHBondContact O-N 3.29Å; N123-Y125 PolarHBondContact O-N 3.26Å
124K46.8Very low65.9Low197 Ų197105.7 Ų105.786%0.85751%0.514SS*.  trans-56.1110.1169.6-79.1-177.2178.8177.90105F122 Y126F122-K124 PolarHBondContact O-N 3.15Å; K124-Y126 PolarHBondContact O-N 3.47Å; K124-Y126 VanDerWaalsContact O-N 3.09Å
125Y45Very low65Low58 Ų58104.1 Ų104.123%0.22751%0.506CS..  trans-47.7122.9170.2-159.4-83.3000106P98 N123 P127 L129 H130P98-Y125 HydrophobicContact CB-CD2 4.14Å; P98-Y125 HydrophobicContact CB-CE2 3.73Å; P98-Y125 VanDerWaalsContact O-CE2 3.25Å; P98-Y125 WeakPolarHBondContact O-CE2 3.45Å; N123-Y125 PolarHBondContact O-N 3.26Å; Y125-P127 WeakPolarHBondContact O-CD 3.31Å; Y125-L129 HydrophobicContact CE1-CB 3.79Å; Y125-H130 AromaticContact CD1-CD2 3.29Å; Y125-H130 WeakPolarHBondContact CD1-CD2 3.49Å; Y125-H130 AromaticContact CD1-CE1 3.28Å; Y125-H130 WeakPolarHBondContact CD1-CE1 3.45Å; Y125-H130 AromaticContact CD1-CG 3.66Å; Y125-H130 AromaticContact CD1-ND1 3.66Å; Y125-H130 AromaticContact CD1-NE2 3.04Å; Y125-H130 WeakPolarHBondContact CD1-NE2 3.36Å; Y125-H130 AromaticContact CD2-CE1 3.99Å; Y125-H130 HydrophobicContact CE1-CB 4.31Å; Y125-H130 AromaticContact CE1-CD2 3.59Å; Y125-H130 AromaticContact CE1-CE1 3.19Å; Y125-H130 WeakPolarHBondContact CE1-CE1 3.46Å; Y125-H130 AromaticContact CE1-CG 3.42Å; Y125-H130 VanDerWaalsContact CE1-CG 3.42Å; Y125-H130 AromaticContact CE1-ND1 3.18Å; Y125-H130 WeakPolarHBondContact CE1-ND1 3.4Å; Y125-H130 AromaticContact CE1-NE2 3.48Å; Y125-H130 WeakPolarHBondContact CE1-NE2 3.31Å; Y125-H130 AromaticContact CE2-CE1 3.91Å; Y125-H130 AromaticContact CG-CE1 3.67Å; Y125-H130 AromaticContact CG-NE2 3.42Å; Y125-H130 AromaticContact CZ-CE1 3.52Å; Y125-H130 AromaticContact CZ-ND1 3.62Å
126Y42.4Very low64.2Low163 Ų163104.1 Ų104.164%0.63951%0.506SS*.  trans-57.3111172.5-80.4-87.3000105.4K124 E128 L129K124-Y126 PolarHBondContact O-N 3.47Å; K124-Y126 VanDerWaalsContact O-N 3.09Å; Y126-E128 PolarHBondContact O-N 3.26Å; Y126-L129 PolarHBondContact O-N 2.85Å
127P42.3Very low63.2Low81 Ų8198.3 Ų98.353%0.52647%0.474SS..Hα-helixtrans-56.5-25.8-175.6-22.633.6000111Y125 L129 H130 F131Y125-P127 WeakPolarHBondContact O-CD 3.31Å; P127-L129 PolarHBondContact O-N 2.99Å; P127-H130 WeakPolarHBondContact O-CB 3.31Å; P127-H130 PolarHBondContact O-N 3Å; P127-F131 WeakPolarHBondContact O-CD2 3.12Å; P127-F131 VanDerWaalsContact O-CE2 3.31Å; P127-F131 WeakPolarHBondContact O-CE2 3.04Å
128E44.5Very low62.3Low137 Ų13799.1 Ų99.164%0.6448%0.48SS*.Hα-helixtrans-52.7-33.4173.2-65.6150.1-153.200113.8Y126Y126-E128 PolarHBondContact O-N 3.26Å
129L48.2Very low61.9Low78 Ų7894.1 Ų94.141%0.40846%0.461SS..Hα-helixtrans-81.4-21.3177.8-66.4175.2000113Y125 Y126 P127 F131 I132Y125-L129 HydrophobicContact CE1-CB 3.79Å; Y126-L129 PolarHBondContact O-N 2.85Å; P127-L129 PolarHBondContact O-N 2.99Å; L129-F131 PolarHBondContact O-N 2.64Å; L129-I132 HydrophobicContact CD2-CD1 3.57Å; L129-I132 HydrophobicContact CD2-CG1 4.49Å; L129-I132 PolarHBondContact O-N 2.78Å; L129-I132 VanDerWaalsContact O-N 3.17Å
130H48Very low61.4Low127 Ų12793.7 Ų93.759%0.58846%0.459SS*.Hα-helixtrans-68.8-19.9173.7-73.8-53.8000112.3Y125 P127 I132Y125-H130 AromaticContact CD1-CD2 3.29Å; Y125-H130 WeakPolarHBondContact CD1-CD2 3.49Å; Y125-H130 AromaticContact CD1-CE1 3.28Å; Y125-H130 WeakPolarHBondContact CD1-CE1 3.45Å; Y125-H130 AromaticContact CD1-CG 3.66Å; Y125-H130 AromaticContact CD1-ND1 3.66Å; Y125-H130 AromaticContact CD1-NE2 3.04Å; Y125-H130 WeakPolarHBondContact CD1-NE2 3.36Å; Y125-H130 AromaticContact CD2-CE1 3.99Å; Y125-H130 HydrophobicContact CE1-CB 4.31Å; Y125-H130 AromaticContact CE1-CD2 3.59Å; Y125-H130 AromaticContact CE1-CE1 3.19Å; Y125-H130 WeakPolarHBondContact CE1-CE1 3.46Å; Y125-H130 AromaticContact CE1-CG 3.42Å; Y125-H130 VanDerWaalsContact CE1-CG 3.42Å; Y125-H130 AromaticContact CE1-ND1 3.18Å; Y125-H130 WeakPolarHBondContact CE1-ND1 3.4Å; Y125-H130 AromaticContact CE1-NE2 3.48Å; Y125-H130 WeakPolarHBondContact CE1-NE2 3.31Å; Y125-H130 AromaticContact CE2-CE1 3.91Å; Y125-H130 AromaticContact CG-CE1 3.67Å; Y125-H130 AromaticContact CG-NE2 3.42Å; Y125-H130 AromaticContact CZ-CE1 3.52Å; Y125-H130 AromaticContact CZ-ND1 3.62Å; P127-H130 WeakPolarHBondContact O-CB 3.31Å; P127-H130 PolarHBondContact O-N 3Å; H130-I132 VanDerWaalsContact C-N 3.32Å
131F56.2Low61.3Low168 Ų16895.1 Ų95.174%0.73746%0.464SS*.THydrogen-bonded Turntrans-82.7-10.9175.5-61.6-72.9000113.1P127 L129 P133P127-F131 WeakPolarHBondContact O-CD2 3.12Å; P127-F131 VanDerWaalsContact O-CE2 3.31Å; P127-F131 WeakPolarHBondContact O-CE2 3.04Å; L129-F131 PolarHBondContact O-N 2.64Å; F131-P133 WeakPolarHBondContact O-CD 3.13Å
132I56.1Low61.6Low45 Ų4587.3 Ų87.323%0.23143%0.427CS..SBendtrans-77.5112.8174.6-55-175.9000107.1L129 H130 N134 V136 L137 I140L129-I132 HydrophobicContact CD2-CD1 3.57Å; L129-I132 HydrophobicContact CD2-CG1 4.49Å; L129-I132 PolarHBondContact O-N 2.78Å; L129-I132 VanDerWaalsContact O-N 3.17Å; H130-I132 VanDerWaalsContact C-N 3.32Å; I132-N134 PolarHBondContact O-N 3.15Å; I132-V136 HydrophobicContact CG2-CB 3.61Å; I132-V136 HydrophobicContact CG2-CG1 3.53Å; I132-L137 HydrophobicContact CB-CD2 4.03Å; I132-L137 HydrophobicContact CB-CG 4.06Å; I132-L137 HydrophobicContact CD1-CD2 4.23Å; I132-L137 HydrophobicContact CG2-CD2 3.76Å; I132-L137 HydrophobicContact CG2-CG 3.68Å; I132-I140 HydrophobicContact CG2-CD1 4.46Å
133P70.2Confident62Low67 Ų6791.9 Ų91.944%0.43544%0.443SS..  trans-55.9142.8177-26.139.6000110.4F131 D135 V136 L137F131-P133 WeakPolarHBondContact O-CD 3.13Å; P133-D135 WeakPolarHBondContact CB-OD1 3.19Å; P133-D135 PolarHBondContact O-N 3.12Å; P133-D135 VanDerWaalsContact O-N 3.11Å; P133-V136 HydrophobicContact CB-CG2 4.19Å; P133-V136 HydrophobicContact CG-CG2 4.25Å; P133-V136 WeakPolarHBondContact O-CA 3.29Å; P133-V136 WeakPolarHBondContact O-CB 3.18Å; P133-V136 PolarHBondContact O-N 3.43Å; P133-L137 PolarHBondContact O-N 2.74Å
134N62.9Low62.9Low111 Ų11192.7 Ų92.759%0.59445%0.447SS*.Hα-helixtrans-55.3-33.5-175.9-81.9-35.9000112.9I132 V136 L137 Q138I132-N134 PolarHBondContact O-N 3.15Å; N134-V136 VanDerWaalsContact C-N 3.35Å; N134-L137 PolarHBondContact O-N 3.46Å; N134-Q138 WeakPolarHBondContact O-CG 3.48Å; N134-Q138 PolarHBondContact O-N 3.02Å
135D71.3Confident64.8Low97 Ų9784.2 Ų84.252%0.51941%0.41SS..Hα-helixtrans-61.7-40.1172.753.9-55000112.2P133 Q138 I139P133-D135 WeakPolarHBondContact CB-OD1 3.19Å; P133-D135 PolarHBondContact O-N 3.12Å; P133-D135 VanDerWaalsContact O-N 3.11Å; D135-Q138 PolarHBondContact O-N 3.06Å; D135-I139 WeakPolarHBondContact O-CD1 3.41Å; D135-I139 VanDerWaalsContact O-CG1 3.25Å; D135-I139 WeakPolarHBondContact O-CG1 3.28Å; D135-I139 PolarHBondContact O-N 2.97Å; D135-I139 VanDerWaalsContact O-N 3.08Å
136V71.4Confident66.7Low55 Ų5581.7 Ų81.733%0.33340%0.401SS..Hα-helixtrans-69.4-40.1174.8179.50000111.2I132 P133 N134 Q138 I139 I140I132-V136 HydrophobicContact CG2-CB 3.61Å; I132-V136 HydrophobicContact CG2-CG1 3.53Å; P133-V136 HydrophobicContact CB-CG2 4.19Å; P133-V136 HydrophobicContact CG-CG2 4.25Å; P133-V136 WeakPolarHBondContact O-CA 3.29Å; P133-V136 WeakPolarHBondContact O-CB 3.18Å; P133-V136 PolarHBondContact O-N 3.43Å; N134-V136 VanDerWaalsContact C-N 3.35Å; V136-Q138 PolarHBondContact O-N 2.98Å; V136-I139 PolarHBondContact O-N 3.28Å; V136-I140 HydrophobicContact CG1-CD1 4.05Å; V136-I140 HydrophobicContact CG1-CG1 4.49Å; V136-I140 WeakPolarHBondContact O-CG1 3.42Å; V136-I140 PolarHBondContact O-N 3Å
137L68.8Low68.7Low35 Ų3577 Ų7718%0.18339%0.393CS..Hα-helixtrans-59.7-45.6173.9-73175000111.6I132 P133 N134 I139 I140 E141I132-L137 HydrophobicContact CB-CD2 4.03Å; I132-L137 HydrophobicContact CB-CG 4.06Å; I132-L137 HydrophobicContact CD1-CD2 4.23Å; I132-L137 HydrophobicContact CG2-CD2 3.76Å; I132-L137 HydrophobicContact CG2-CG 3.68Å; P133-L137 PolarHBondContact O-N 2.74Å; N134-L137 PolarHBondContact O-N 3.46Å; L137-I139 VanDerWaalsContact C-N 3.27Å; L137-I139 PolarHBondContact O-N 3.1Å; L137-I140 PolarHBondContact O-N 3.23Å; L137-I140 VanDerWaalsContact O-N 3.16Å; L137-E141 WeakPolarHBondContact O-CB 3.4Å; L137-E141 PolarHBondContact O-N 2.93Å
138Q71.2Confident70.7Confident71 Ų7176.1 Ų76.133%0.33238%0.381SS..Hα-helixtrans-59.3-38.8175.7-75.8-178.81.300112.2N134 D135 V136 S142N134-Q138 WeakPolarHBondContact O-CG 3.48Å; N134-Q138 PolarHBondContact O-N 3.02Å; D135-Q138 PolarHBondContact O-N 3.06Å; V136-Q138 PolarHBondContact O-N 2.98Å; Q138-S142 WeakPolarHBondContact O-CB 3.41Å; Q138-S142 PolarHBondContact O-N 3.02Å; Q138-S142 PolarHBondContact O-OG 3.49Å; Q138-S142 VanDerWaalsContact O-OG 3.13Å
139I75.5Confident72.7Confident66 Ų6669.9 Ų69.934%0.33835%0.352SS..Hα-helixtrans-66-43176-68.9163.2000111.2D135 V136 L137 S142 R143D135-I139 WeakPolarHBondContact O-CD1 3.41Å; D135-I139 VanDerWaalsContact O-CG1 3.25Å; D135-I139 WeakPolarHBondContact O-CG1 3.28Å; D135-I139 PolarHBondContact O-N 2.97Å; D135-I139 VanDerWaalsContact O-N 3.08Å; V136-I139 PolarHBondContact O-N 3.28Å; L137-I139 VanDerWaalsContact C-N 3.27Å; L137-I139 PolarHBondContact O-N 3.1Å; I139-S142 PolarHBondContact O-OG 3.26Å; I139-R143 WeakPolarHBondContact O-CB 3.42Å; I139-R143 WeakPolarHBondContact O-CG 3.46Å; I139-R143 PolarHBondContact O-N 2.91Å; I139-R143 VanDerWaalsContact O-N 3.07Å
140I75Confident74.4Confident73 Ų7369.2 Ų69.237%0.37435%0.354SS..Hα-helixtrans-62.8-47.5177.7-68.3166000109.9I132 V136 L137 R143 L144I132-I140 HydrophobicContact CG2-CD1 4.46Å; V136-I140 HydrophobicContact CG1-CD1 4.05Å; V136-I140 HydrophobicContact CG1-CG1 4.49Å; V136-I140 WeakPolarHBondContact O-CG1 3.42Å; V136-I140 PolarHBondContact O-N 3Å; L137-I140 PolarHBondContact O-N 3.23Å; L137-I140 VanDerWaalsContact O-N 3.16Å; I140-R143 PolarHBondContact O-N 2.95Å; I140-L144 HydrophobicContact CG2-CD1 3.98Å; I140-L144 HydrophobicContact CG2-CG 4.39Å; I140-L144 WeakPolarHBondContact O-CG 3.25Å; I140-L144 PolarHBondContact O-N 3.49Å
141E79.5Confident76.2Confident49 Ų4966.9 Ų66.923%0.22935%0.352CS..Hα-helixtrans-62.9-47.1-178.3-172.8172.6-177.100112.1L137 R143 L144 F145 Y172 L176L137-E141 WeakPolarHBondContact O-CB 3.4Å; L137-E141 PolarHBondContact O-N 2.93Å; E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 3.24Å; E141-L144 PolarHBondContact O-N 3.32Å; E141-F145 WeakPolarHBondContact O-CB 3.31Å; E141-F145 PolarHBondContact O-N 3.11Å; E141-Y172 PolarHBondContact OE1-OH 3.4Å; E141-Y172 PolarHBondContact OE2-OH 2.88Å; E141-L176 HydrophobicContact CG-CD2 4.28Å
142S81.9Confident77.7Confident1 Ų160.7 Ų60.71%0.00733%0.326CS..Hα-helixtrans-61.9-37.7176.164.90000111.9Q138 I139 F145 G146 V180 Q183Q138-S142 WeakPolarHBondContact O-CB 3.41Å; Q138-S142 PolarHBondContact O-N 3.02Å; Q138-S142 PolarHBondContact O-OG 3.49Å; Q138-S142 VanDerWaalsContact O-OG 3.13Å; I139-S142 PolarHBondContact O-OG 3.26Å; S142-F145 PolarHBondContact O-N 3.46Å; S142-G146 PolarHBondContact O-N 3.09Å; S142-V180 VanDerWaalsContact O-CG2 3.24Å; S142-V180 WeakPolarHBondContact O-CG2 3.43Å; S142-Q183 PolarHBondContact OG-NE2 3.1Å; S142-Q183 PolarHBondContact OG-OE1 2.91Å
143R81.7Confident78.9Confident150 Ų15067.8 Ų67.857%0.56636%0.356SS*.Hα-helixtrans-65.5-42.4175.3-75.9177.2175.6-175.7-1112.3I139 I140 E141 S147I139-R143 WeakPolarHBondContact O-CB 3.42Å; I139-R143 WeakPolarHBondContact O-CG 3.46Å; I139-R143 PolarHBondContact O-N 2.91Å; I139-R143 VanDerWaalsContact O-N 3.07Å; I140-R143 PolarHBondContact O-N 2.95Å; E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 3.24Å; R143-S147 WeakPolarHBondContact O-CB 3.36Å; R143-S147 PolarHBondContact O-N 2.92Å
144L81.3Confident79.7Confident118 Ų11867.8 Ų67.862%0.61835%0.354SS*.Hα-helixtrans-64.4-44.5176.3-71.8174.4000111.1I140 E141 S147 H148I140-L144 HydrophobicContact CG2-CD1 3.98Å; I140-L144 HydrophobicContact CG2-CG 4.39Å; I140-L144 WeakPolarHBondContact O-CG 3.25Å; I140-L144 PolarHBondContact O-N 3.49Å; E141-L144 PolarHBondContact O-N 3.32Å; L144-S147 PolarHBondContact O-N 3.27Å; L144-H148 PolarHBondContact O-N 2.93Å
145F86.7Confident80.7Confident18 Ų1866.5 Ų66.58%0.07935%0.347CS..Hα-helixtrans-59.2-51.9175.7-175.6-110.3000111.6E141 S142 S147 H148 I149 Y161 L162 L176 L177 V180E141-F145 WeakPolarHBondContact O-CB 3.31Å; E141-F145 PolarHBondContact O-N 3.11Å; S142-F145 PolarHBondContact O-N 3.46Å; F145-S147 VanDerWaalsContact C-N 3.31Å; F145-S147 PolarHBondContact O-N 2.75Å; F145-H148 WeakPolarHBondContact O-CB 3.38Å; F145-H148 PolarHBondContact O-N 2.88Å; F145-H148 VanDerWaalsContact O-N 3.13Å; F145-I149 HydrophobicContact CD1-CD1 3.86Å; F145-I149 HydrophobicContact CE1-CD1 3.53Å; F145-I149 HydrophobicContact CG-CD1 4.49Å; F145-I149 HydrophobicContact CZ-CD1 3.9Å; F145-I149 WeakPolarHBondContact O-CG1 3.47Å; F145-I149 PolarHBondContact O-N 3.49Å; F145-Y161 HydrophobicContact CD2-CE1 4.28Å; F145-Y161 AromaticContact CE2-CE1 3.64Å; F145-Y161 HydrophobicContact CE2-CE1 3.64Å; F145-Y161 AromaticContact CE2-CZ 3.93Å; F145-Y161 WeakPolarHBondContact CE2-OH 3.38Å; F145-Y161 HydrophobicContact CZ-CE1 4.23Å; F145-L162 HydrophobicContact CE1-CD2 4.37Å; F145-L162 HydrophobicContact CZ-CD2 3.79Å; F145-L176 HydrophobicContact CD1-CB 3.73Å; F145-L176 HydrophobicContact CD1-CD1 4.32Å; F145-L176 HydrophobicContact CD2-CD1 4.16Å; F145-L176 HydrophobicContact CE1-CB 3.81Å; F145-L176 HydrophobicContact CE2-CD1 4.4Å; F145-L176 HydrophobicContact CG-CB 4.33Å; F145-L176 HydrophobicContact CG-CD1 4.12Å; F145-L176 HydrophobicContact CZ-CB 4.49Å; F145-L177 HydrophobicContact CE1-CD2 3.84Å; F145-L177 HydrophobicContact CE1-CG 4.24Å; F145-L177 HydrophobicContact CZ-CD2 4.43Å; F145-V180 HydrophobicContact CD1-CG2 3.92Å
146G85.5Confident81.5Confident5 Ų565.7 Ų65.75%0.05235%0.346CS..Hα-helixtrans-62.6-36176.700000113.4S142 H148 S150S142-G146 PolarHBondContact O-N 3.09Å; G146-H148 VanDerWaalsContact C-N 3.34Å; G146-S150 WeakPolarHBondContact O-CB 3.49Å; G146-S150 PolarHBondContact O-N 2.7Å; G146-S150 PolarHBondContact O-OG 2.99Å
147S83.6Confident82.2Confident65 Ų6567.8 Ų67.846%0.45535%0.352SS..Hα-helixtrans-65.8-37.5174.5-1720000111.8R143 L144 F145 S150 S151R143-S147 WeakPolarHBondContact O-CB 3.36Å; R143-S147 PolarHBondContact O-N 2.92Å; L144-S147 PolarHBondContact O-N 3.27Å; F145-S147 VanDerWaalsContact C-N 3.31Å; F145-S147 PolarHBondContact O-N 2.75Å; S147-S150 PolarHBondContact O-N 3.02Å; S147-S151 PolarHBondContact O-N 3.37Å; S147-S151 VanDerWaalsContact O-N 3.12Å
148H85.4Confident83.1Confident62 Ų6266.4 Ų66.429%0.28735%0.345SS..Hα-helixtrans-65.3-50.1176.5-173.469.9000110.8L144 F145 G146 S150 S151 I152 Y161L144-H148 PolarHBondContact O-N 2.93Å; F145-H148 WeakPolarHBondContact O-CB 3.38Å; F145-H148 PolarHBondContact O-N 2.88Å; F145-H148 VanDerWaalsContact O-N 3.13Å; G146-H148 VanDerWaalsContact C-N 3.34Å; H148-S150 VanDerWaalsContact C-N 3.26Å; H148-S150 PolarHBondContact O-N 3.27Å; H148-S151 WeakPolarHBondContact O-CB 3.48Å; H148-S151 PolarHBondContact O-N 3.36Å; H148-S151 PolarHBondContact O-OG 3.48Å; H148-I152 PolarHBondContact O-N 2.92Å; H148-Y161 AromaticContact CD2-CE1 3.72Å; H148-Y161 AromaticContact CD2-CE2 3.52Å; H148-Y161 AromaticContact CD2-CZ 3.35Å; H148-Y161 AromaticContact NE2-CD2 3.87Å; H148-Y161 AromaticContact NE2-CE2 3.61Å; H148-Y161 AromaticContact NE2-CZ 3.96Å
149I86.3Confident84Confident6 Ų665.1 Ų65.13%0.03134%0.34CS..Hα-helixtrans-55.3-44.8175.9-60.2164.7000110.5F145 S151 I152 A158 Y161 L162 L177 L193 I197F145-I149 HydrophobicContact CD1-CD1 3.86Å; F145-I149 HydrophobicContact CE1-CD1 3.53Å; F145-I149 HydrophobicContact CG-CD1 4.49Å; F145-I149 HydrophobicContact CZ-CD1 3.9Å; F145-I149 WeakPolarHBondContact O-CG1 3.47Å; F145-I149 PolarHBondContact O-N 3.49Å; I149-S151 PolarHBondContact O-N 3.35Å; I149-I152 WeakPolarHBondContact O-CB 3.37Å; I149-I152 PolarHBondContact O-N 3.45Å; I149-I152 VanDerWaalsContact O-N 3.12Å; I149-A158 HydrophobicContact CG2-CB 4.38Å; I149-Y161 HydrophobicContact CG1-CD1 4.17Å; I149-Y161 HydrophobicContact CG1-CE1 3.96Å; I149-L162 HydrophobicContact CD1-CD2 3.83Å; I149-L162 HydrophobicContact CG1-CD2 4.29Å; I149-L177 HydrophobicContact CD1-CD2 4.24Å; I149-L193 HydrophobicContact CB-CD1 3.69Å; I149-L193 HydrophobicContact CG2-CD1 3.39Å; I149-I197 HydrophobicContact CD1-CD1 4.46Å
150S84.7Confident84.6Confident64 Ų6468.5 Ų68.545%0.44835%0.352SS..Hα-helixtrans-63.5-23.9178.7-57.90000114G146 S147 H148 L193G146-S150 WeakPolarHBondContact O-CB 3.49Å; G146-S150 PolarHBondContact O-N 2.7Å; G146-S150 PolarHBondContact O-OG 2.99Å; S147-S150 PolarHBondContact O-N 3.02Å; H148-S150 VanDerWaalsContact C-N 3.26Å; H148-S150 PolarHBondContact O-N 3.27Å; S150-L193 WeakPolarHBondContact OG-CD2 3.32Å
151S85.4Confident85.3Confident79 Ų7967.4 Ų67.455%0.55234%0.343SS*.Hα-helixtrans-83.1-15.3178.9750000113.2S147 H148 I149S147-S151 PolarHBondContact O-N 3.37Å; S147-S151 VanDerWaalsContact O-N 3.12Å; H148-S151 WeakPolarHBondContact O-CB 3.48Å; H148-S151 PolarHBondContact O-N 3.36Å; H148-S151 PolarHBondContact O-OG 3.48Å; I149-S151 PolarHBondContact O-N 3.35Å
152I86.3Confident85.9Confident37 Ų3765.2 Ų65.219%0.1933%0.333CS..  trans-73.7130.3177.8-60.4171.7000108.8H148 I149 E157 A158 Y161H148-I152 PolarHBondContact O-N 2.92Å; I149-I152 WeakPolarHBondContact O-CB 3.37Å; I149-I152 PolarHBondContact O-N 3.45Å; I149-I152 VanDerWaalsContact O-N 3.12Å; I152-E157 HydrophobicContact CG2-CB 3.3Å; I152-A158 HydrophobicContact CB-CB 4.31Å; I152-A158 HydrophobicContact CD1-CB 4.32Å; I152-A158 HydrophobicContact CG2-CB 4.08Å; I152-Y161 HydrophobicContact CD1-CD1 4.01Å; I152-Y161 HydrophobicContact CD1-CG 3.88Å
153K83.2Confident86.2Confident195 Ų19569.3 Ų69.385%0.84836%0.355SS*.SBendtrans-76.5-30.3-166.5-66.1-176.7-174.7177.70113.5
154T85.5Confident86.5Confident66 Ų6665.3 Ų65.341%0.40535%0.35SS..SBendtrans-123.9148-173.9680000111.2T156 E157 A158T154-T156 VanDerWaalsContact C-N 3.26Å; T154-T156 PolarHBondContact O-N 3.31Å; T154-E157 PolarHBondContact N-OE2 3.45Å; T154-E157 PolarHBondContact O-N 2.84Å; T154-E157 VanDerWaalsContact OG1-CB 3.3Å; T154-E157 WeakPolarHBondContact OG1-CB 3.48Å; T154-E157 WeakPolarHBondContact OG1-CG 3.45Å; T154-E157 PolarHBondContact OG1-N 3.23Å; T154-E157 PolarHBondContact OG1-OE2 3.44Å; T154-A158 PolarHBondContact O-N 3.47Å; T154-A158 VanDerWaalsContact O-N 3.11Å
155L84.8Confident86.7Confident84 Ų8460.7 Ų60.744%0.4433%0.327SS..Hα-helixtrans-58.3-41.8176.1-17863.3000111E157 A158 E159 A196L155-E157 PolarHBondContact O-N 3.18Å; L155-A158 WeakPolarHBondContact O-CB 3.45Å; L155-A158 PolarHBondContact O-N 2.82Å; L155-A158 VanDerWaalsContact O-N 3.14Å; L155-E159 HydrophobicContact CG-CG 4.41Å; L155-E159 VanDerWaalsContact O-CG 3.3Å; L155-E159 WeakPolarHBondContact O-CG 3.32Å; L155-E159 PolarHBondContact O-N 3.18Å; L155-A196 HydrophobicContact CD1-CB 3.55Å
156T87.2Confident86.8Confident80 Ų8061 Ų6149%0.49133%0.329SS..Hα-helixtrans-63.7-37.9179.9-52.70000113.6T154 K160T154-T156 VanDerWaalsContact C-N 3.26Å; T154-T156 PolarHBondContact O-N 3.31Å; T156-K160 WeakPolarHBondContact O-CG 3.49Å; T156-K160 PolarHBondContact O-N 3.37Å; T156-K160 VanDerWaalsContact O-N 3.12Å
157E87.3Confident86.8Confident99 Ų9965 Ų6546%0.46336%0.361SS..Hα-helixtrans-69-38173.8-73.9165.7160.700111.2I152 T154 L155 K160 Y161I152-E157 HydrophobicContact CG2-CB 3.3Å; T154-E157 PolarHBondContact N-OE2 3.45Å; T154-E157 PolarHBondContact O-N 2.84Å; T154-E157 VanDerWaalsContact OG1-CB 3.3Å; T154-E157 WeakPolarHBondContact OG1-CB 3.48Å; T154-E157 WeakPolarHBondContact OG1-CG 3.45Å; T154-E157 PolarHBondContact OG1-N 3.23Å; T154-E157 PolarHBondContact OG1-OE2 3.44Å; L155-E157 PolarHBondContact O-N 3.18Å; E157-K160 PolarHBondContact O-N 3.24Å; E157-Y161 WeakPolarHBondContact O-CB 3.41Å; E157-Y161 PolarHBondContact O-N 3.04Å
158A87.6Confident86.6Confident6 Ų666 Ų665%0.0536%0.361CS..Hα-helixtrans-65.1-42.8177.100000111I149 I152 T154 L155 Y161 L162I149-A158 HydrophobicContact CG2-CB 4.38Å; I152-A158 HydrophobicContact CB-CB 4.31Å; I152-A158 HydrophobicContact CD1-CB 4.32Å; I152-A158 HydrophobicContact CG2-CB 4.08Å; T154-A158 PolarHBondContact O-N 3.47Å; T154-A158 VanDerWaalsContact O-N 3.11Å; L155-A158 WeakPolarHBondContact O-CB 3.45Å; L155-A158 PolarHBondContact O-N 2.82Å; L155-A158 VanDerWaalsContact O-N 3.14Å; A158-Y161 WeakPolarHBondContact O-CB 3.42Å; A158-Y161 PolarHBondContact O-N 3.07Å; A158-L162 VanDerWaalsContact O-CG 3.3Å; A158-L162 WeakPolarHBondContact O-CG 3.28Å; A158-L162 PolarHBondContact O-N 3.25Å
159E89.4Confident86.6Confident45 Ų4564.5 Ų64.521%0.2136%0.355CS..Hα-helixtrans-58.5-48.4174.1-71.5169.2163.700111.6L155 Y161 L162 D163 H199L155-E159 HydrophobicContact CG-CG 4.41Å; L155-E159 VanDerWaalsContact O-CG 3.3Å; L155-E159 WeakPolarHBondContact O-CG 3.32Å; L155-E159 PolarHBondContact O-N 3.18Å; E159-Y161 VanDerWaalsContact C-N 3.31Å; E159-Y161 PolarHBondContact O-N 2.96Å; E159-L162 PolarHBondContact O-N 3.04Å; E159-L162 VanDerWaalsContact O-N 3.14Å; E159-D163 PolarHBondContact O-N 2.89Å; E159-H199 IonicContact OE1-CD2 2.63Å; E159-H199 PolarHBondContact OE1-CD2 3.46Å; E159-H199 IonicContact OE1-NE2 3.68Å
160K88.6Confident86.7Confident136 Ų13666.9 Ų66.959%0.59137%0.368SS*.Hα-helixtrans-61.1-38.4176.8-73.7176.5-179.7-178.90113.1T156 E157 S164T156-K160 WeakPolarHBondContact O-CG 3.49Å; T156-K160 PolarHBondContact O-N 3.37Å; T156-K160 VanDerWaalsContact O-N 3.12Å; E157-K160 PolarHBondContact O-N 3.24Å; K160-S164 WeakPolarHBondContact O-CB 3.43Å; K160-S164 PolarHBondContact O-N 2.89Å; K160-S164 PolarHBondContact O-OG 2.91Å
161Y88.9Confident86.8Confident51 Ų5165.3 Ų65.320%0.236%0.362CS..Hα-helixtrans-63.2-45.4174.7170.4-101.5000111F145 H148 I149 I152 E157 A158 E159 S164 C165F145-Y161 HydrophobicContact CD2-CE1 4.28Å; F145-Y161 AromaticContact CE2-CE1 3.64Å; F145-Y161 HydrophobicContact CE2-CE1 3.64Å; F145-Y161 AromaticContact CE2-CZ 3.93Å; F145-Y161 WeakPolarHBondContact CE2-OH 3.38Å; F145-Y161 HydrophobicContact CZ-CE1 4.23Å; H148-Y161 AromaticContact CD2-CE1 3.72Å; H148-Y161 AromaticContact CD2-CE2 3.52Å; H148-Y161 AromaticContact CD2-CZ 3.35Å; H148-Y161 AromaticContact NE2-CD2 3.87Å; H148-Y161 AromaticContact NE2-CE2 3.61Å; H148-Y161 AromaticContact NE2-CZ 3.96Å; I149-Y161 HydrophobicContact CG1-CD1 4.17Å; I149-Y161 HydrophobicContact CG1-CE1 3.96Å; I152-Y161 HydrophobicContact CD1-CD1 4.01Å; I152-Y161 HydrophobicContact CD1-CG 3.88Å; E157-Y161 WeakPolarHBondContact O-CB 3.41Å; E157-Y161 PolarHBondContact O-N 3.04Å; A158-Y161 WeakPolarHBondContact O-CB 3.42Å; A158-Y161 PolarHBondContact O-N 3.07Å; E159-Y161 VanDerWaalsContact C-N 3.31Å; E159-Y161 PolarHBondContact O-N 2.96Å; Y161-S164 WeakPolarHBondContact O-CB 3.29Å; Y161-S164 PolarHBondContact O-N 3Å; Y161-C165 PolarHBondContact O-N 3.25Å; Y161-C165 PolarHBondContact O-SG 2.93Å
162L91.9Very high86.9Confident2 Ų263.5 Ų63.51%0.0134%0.343CS..Hα-helixtrans-65.4-41.1177.5-68.9178.5000112.2F145 I149 A158 E159 S164 C165 F166 L177 W200F145-L162 HydrophobicContact CE1-CD2 4.37Å; F145-L162 HydrophobicContact CZ-CD2 3.79Å; I149-L162 HydrophobicContact CD1-CD2 3.83Å; I149-L162 HydrophobicContact CG1-CD2 4.29Å; A158-L162 VanDerWaalsContact O-CG 3.3Å; A158-L162 WeakPolarHBondContact O-CG 3.28Å; A158-L162 PolarHBondContact O-N 3.25Å; E159-L162 PolarHBondContact O-N 3.04Å; E159-L162 VanDerWaalsContact O-N 3.14Å; L162-S164 VanDerWaalsContact C-N 3.26Å; L162-S164 PolarHBondContact O-N 3.47Å; L162-C165 PolarHBondContact O-N 3.07Å; L162-F166 VanDerWaalsContact O-CB 3.32Å; L162-F166 WeakPolarHBondContact O-CB 3.5Å; L162-F166 PolarHBondContact O-N 3.26Å; L162-L177 HydrophobicContact CD1-CD2 4.33Å; L162-L177 HydrophobicContact CD2-CD2 3.74Å; L162-W200 HydrophobicContact CB-CD2 3.92Å; L162-W200 HydrophobicContact CB-CG 4.05Å; L162-W200 HydrophobicContact CB-CZ2 4.11Å; L162-W200 HydrophobicContact CD1-CB 3.83Å; L162-W200 HydrophobicContact CD1-CD2 3.93Å; L162-W200 HydrophobicContact CD1-CG 3.58Å; L162-W200 HydrophobicContact CG-CG 4.48Å
163D89.6Confident87.2Confident87 Ų8762 Ų6247%0.46534%0.336SS..Hα-helixtrans-58.6-41.2173.4-67.7-15.8000111E159 F166 A167 W200E159-D163 PolarHBondContact O-N 2.89Å; D163-F166 PolarHBondContact O-N 3.46Å; D163-A167 WeakPolarHBondContact O-CB 3.46Å; D163-A167 PolarHBondContact O-N 3.25Å; D163-W200 PolarHBondContact OD1-NE1 3.27Å
164S87.4Confident87.6Confident67 Ų6752.7 Ų52.747%0.46930%0.295SS..Hα-helixtrans-67-39.9177.5-570000112.1K160 Y161 L162 L168K160-S164 WeakPolarHBondContact O-CB 3.43Å; K160-S164 PolarHBondContact O-N 2.89Å; K160-S164 PolarHBondContact O-OG 2.91Å; Y161-S164 WeakPolarHBondContact O-CB 3.29Å; Y161-S164 PolarHBondContact O-N 3Å; L162-S164 VanDerWaalsContact C-N 3.26Å; L162-S164 PolarHBondContact O-N 3.47Å; S164-L168 WeakPolarHBondContact O-CG 3.43Å; S164-L168 PolarHBondContact O-N 3.09Å
165C86Confident87.9Confident21 Ų2151.3 Ų51.314%0.14228%0.284CS..Hα-helixtrans-65.9-44.7175.2-64.70000111.1Y161 L162 A167 L168 D169 T173Y161-C165 PolarHBondContact O-N 3.25Å; Y161-C165 PolarHBondContact O-SG 2.93Å; L162-C165 PolarHBondContact O-N 3.07Å; C165-A167 VanDerWaalsContact C-N 3.35Å; C165-A167 PolarHBondContact O-N 3.03Å; C165-L168 WeakPolarHBondContact O-CB 3.4Å; C165-L168 PolarHBondContact O-N 3.42Å; C165-D169 PolarHBondContact O-N 2.72Å; C165-D169 VanDerWaalsContact O-N 3.1Å; C165-T173 HydrophobicContact CB-CG2 4Å; C165-T173 PolarHBondContact O-OG1 3.25Å
166F89.2Confident88.2Confident25 Ų2548 Ų4811%0.1127%0.267CS..Hα-helixtrans-63.2-40.6179.8-173.5-96.5000111.9L162 D163 L168 D169 D170 T173 I174 W200 E210 A211L162-F166 VanDerWaalsContact O-CB 3.32Å; L162-F166 WeakPolarHBondContact O-CB 3.5Å; L162-F166 PolarHBondContact O-N 3.26Å; D163-F166 PolarHBondContact O-N 3.46Å; F166-L168 PolarHBondContact O-N 3.38Å; F166-D169 CarbonylContact O-C 3.5Å; F166-D169 PolarHBondContact O-N 3.37Å; F166-D170 HydrophobicContact CD1-CB 4.42Å; F166-D170 HydrophobicContact CD2-CB 3.82Å; F166-D170 HydrophobicContact CE1-CB 3.99Å; F166-D170 HydrophobicContact CE2-CB 3.33Å; F166-D170 HydrophobicContact CG-CB 4.34Å; F166-D170 HydrophobicContact CZ-CB 3.4Å; F166-D170 WeakPolarHBondContact O-CA 3.29Å; F166-D170 PolarHBondContact O-N 2.88Å; F166-T173 HydrophobicContact CB-CG2 4.21Å; F166-T173 PolarHBondContact N-OG1 3.13Å; F166-I174 HydrophobicContact CE2-CD1 4.38Å; F166-I174 HydrophobicContact CE2-CG1 4.16Å; F166-W200 HydrophobicContact CB-CH2 3.87Å; F166-W200 HydrophobicContact CB-CZ2 3.88Å; F166-W200 AromaticContact CD2-CH2 3.65Å; F166-W200 HydrophobicContact CD2-CH2 3.65Å; F166-W200 HydrophobicContact CD2-CZ2 4.43Å; F166-W200 HydrophobicContact CE2-CH2 4.4Å; F166-W200 AromaticContact CG-CH2 3.82Å; F166-W200 HydrophobicContact CG-CH2 3.82Å; F166-W200 HydrophobicContact CG-CZ2 4.15Å; F166-E210 HydrophobicContact CZ-CB 4.35Å; F166-A211 HydrophobicContact CE1-CB 4.37Å; F166-A211 HydrophobicContact CE2-CB 3.98Å; F166-A211 HydrophobicContact CZ-CB 3.61Å
167A83.8Confident88.6Confident88 Ų8844.1 Ų44.173%0.72724%0.243SC*.Hα-helixtrans-63.9-21.3174.800000113.7D163 C165D163-A167 WeakPolarHBondContact O-CB 3.46Å; D163-A167 PolarHBondContact O-N 3.25Å; C165-A167 VanDerWaalsContact C-N 3.35Å; C165-A167 PolarHBondContact O-N 3.03Å
168L81.2Confident88.9Confident85 Ų8539.4 Ų39.445%0.44522%0.221SC..Hα-helixtrans-85.6-47.2176.8-70.1170.4000112.4S164 C165 F166S164-L168 WeakPolarHBondContact O-CG 3.43Å; S164-L168 PolarHBondContact O-N 3.09Å; C165-L168 WeakPolarHBondContact O-CB 3.4Å; C165-L168 PolarHBondContact O-N 3.42Å; F166-L168 PolarHBondContact O-N 3.38Å
169D84.2Confident89Confident31 Ų3142.3 Ų42.317%0.16623%0.231CC..  trans-155.499.9176.6-169.5-36.7000108.8R29 C165 F166 Y172 T173R29-D169 IonicContact CZ-OD2 3.6Å; R29-D169 IonicContact NH1-OD1 3.65Å; R29-D169 IonicContact NH1-OD2 2.7Å; R29-D169 PolarHBondContact NH1-OD2 3.39Å; C165-D169 PolarHBondContact O-N 2.72Å; C165-D169 VanDerWaalsContact O-N 3.1Å; F166-D169 CarbonylContact O-C 3.5Å; F166-D169 PolarHBondContact O-N 3.37Å; D169-Y172 WeakPolarHBondContact OD1-CB 3.41Å; D169-Y172 PolarHBondContact OD1-N 2.83Å; D169-T173 VanDerWaalsContact O-CB 3.29Å; D169-T173 WeakPolarHBondContact O-CB 3.42Å; D169-T173 PolarHBondContact O-N 3.26Å; D169-T173 PolarHBondContact O-OG1 3.07Å
170D87.8Confident89.1Confident56 Ų5640.5 Ų40.530%0.29922%0.223SC..Hα-helixtrans-60-55.7-176.547.413.2000112F166 Y172 T173 I174F166-D170 HydrophobicContact CD1-CB 4.42Å; F166-D170 HydrophobicContact CD2-CB 3.82Å; F166-D170 HydrophobicContact CE1-CB 3.99Å; F166-D170 HydrophobicContact CE2-CB 3.33Å; F166-D170 HydrophobicContact CG-CB 4.34Å; F166-D170 HydrophobicContact CZ-CB 3.4Å; F166-D170 WeakPolarHBondContact O-CA 3.29Å; F166-D170 PolarHBondContact O-N 2.88Å; D170-Y172 VanDerWaalsContact C-N 3.32Å; D170-Y172 PolarHBondContact O-N 3.21Å; D170-T173 PolarHBondContact O-N 3.47Å; D170-I174 WeakPolarHBondContact O-CG1 3.3Å; D170-I174 PolarHBondContact O-N 2.87Å
171G87.3Confident89.2Confident32 Ų3234 Ų3433%0.3320%0.195SC..Hα-helixtrans-63.2-37.6-178.300000112.3H175G171-H175 WeakPolarHBondContact O-CB 3.35Å; G171-H175 PolarHBondContact O-N 2.93Å
172Y88.6Confident89.2Confident40 Ų4033.5 Ų33.516%0.15719%0.194CC..Hα-helixtrans-71.3-38.6175.9-167.5-121.6000112.8E141 D169 D170 H175 L176E141-Y172 PolarHBondContact OE1-OH 3.4Å; E141-Y172 PolarHBondContact OE2-OH 2.88Å; D169-Y172 WeakPolarHBondContact OD1-CB 3.41Å; D169-Y172 PolarHBondContact OD1-N 2.83Å; D170-Y172 VanDerWaalsContact C-N 3.32Å; D170-Y172 PolarHBondContact O-N 3.21Å; Y172-H175 WeakPolarHBondContact O-CB 3.47Å; Y172-H175 PolarHBondContact O-N 3.48Å; Y172-L176 HydrophobicContact CD1-CD1 3.93Å; Y172-L176 HydrophobicContact CD1-CG 4.37Å; Y172-L176 HydrophobicContact CE1-CD1 3.58Å; Y172-L176 HydrophobicContact CE1-CD2 4.47Å; Y172-L176 HydrophobicContact CE1-CG 4.05Å; Y172-L176 HydrophobicContact CE2-CG 4.44Å; Y172-L176 WeakPolarHBondContact O-CG 3.35Å; Y172-L176 PolarHBondContact O-N 3.36Å
173T91.1Very high88.8Confident5 Ų534.9 Ų34.93%0.03120%0.201CC..Hα-helixtrans-62.2-46.7175.7-61.50000110.7C165 F166 D169 D170 H175 L176 L177C165-T173 HydrophobicContact CB-CG2 4Å; C165-T173 PolarHBondContact O-OG1 3.25Å; F166-T173 HydrophobicContact CB-CG2 4.21Å; F166-T173 PolarHBondContact N-OG1 3.13Å; D169-T173 VanDerWaalsContact O-CB 3.29Å; D169-T173 WeakPolarHBondContact O-CB 3.42Å; D169-T173 PolarHBondContact O-N 3.26Å; D169-T173 PolarHBondContact O-OG1 3.07Å; D170-T173 PolarHBondContact O-N 3.47Å; T173-H175 VanDerWaalsContact C-N 3.31Å; T173-H175 PolarHBondContact O-N 3.27Å; T173-L176 PolarHBondContact O-N 2.76Å; T173-L177 HydrophobicContact CG2-CD1 4.1Å; T173-L177 HydrophobicContact CG2-CG 4.48Å; T173-L177 VanDerWaalsContact O-CG 3.3Å; T173-L177 WeakPolarHBondContact O-CG 3.35Å; T173-L177 PolarHBondContact O-N 3Å
174I93.4Very high88.2Confident0 Ų031.3 Ų31.30%018%0.182CC..Hα-helixtrans-59-43.7174-64.7-63.3000110.8F166 D170 L176 L177 I178 W200 L201 L215 Y218F166-I174 HydrophobicContact CE2-CD1 4.38Å; F166-I174 HydrophobicContact CE2-CG1 4.16Å; D170-I174 WeakPolarHBondContact O-CG1 3.3Å; D170-I174 PolarHBondContact O-N 2.87Å; I174-L176 PolarHBondContact O-N 3.49Å; I174-L177 PolarHBondContact O-N 3.36Å; I174-I178 HydrophobicContact CG2-CG1 4.34Å; I174-I178 VanDerWaalsContact O-CG1 3.3Å; I174-I178 WeakPolarHBondContact O-CG1 3.26Å; I174-I178 PolarHBondContact O-N 3.3Å; I174-W200 HydrophobicContact CD1-CZ3 4.12Å; I174-L201 HydrophobicContact CD1-CD2 3.56Å; I174-L215 HydrophobicContact CG2-CB 4.48Å; I174-L215 HydrophobicContact CG2-CD1 3.96Å; I174-Y218 HydrophobicContact CG2-CD2 4.41Å
175H91.4Very high87.2Confident37 Ų3733.4 Ų33.417%0.17119%0.185CC..Hα-helixtrans-56.9-47.9175.9177.372.3000112.8G171 Y172 T173 I178 R179 Y218G171-H175 WeakPolarHBondContact O-CB 3.35Å; G171-H175 PolarHBondContact O-N 2.93Å; Y172-H175 WeakPolarHBondContact O-CB 3.47Å; Y172-H175 PolarHBondContact O-N 3.48Å; T173-H175 VanDerWaalsContact C-N 3.31Å; T173-H175 PolarHBondContact O-N 3.27Å; H175-I178 PolarHBondContact O-N 3.36Å; H175-R179 WeakPolarHBondContact O-CB 3.32Å; H175-R179 VanDerWaalsContact O-CG 3.3Å; H175-R179 WeakPolarHBondContact O-CG 3.36Å; H175-R179 PolarHBondContact O-N 2.91Å; H175-Y218 HydrophobicContact CB-CE2 4.05Å; H175-Y218 AromaticContact ND1-CE2 3.73Å; H175-Y218 AromaticContact ND1-CZ 3.74Å; H175-Y218 PolarHBondContact ND1-OH 3.29Å
176L91.2Very high85.9Confident14 Ų1439.7 Ų39.77%0.07321%0.212CC..Hα-helixtrans-64.6-42.2179-73177000111.8E141 F145 Y172 T173 I174 I178 R179 V180E141-L176 HydrophobicContact CG-CD2 4.28Å; F145-L176 HydrophobicContact CD1-CB 3.73Å; F145-L176 HydrophobicContact CD1-CD1 4.32Å; F145-L176 HydrophobicContact CD2-CD1 4.16Å; F145-L176 HydrophobicContact CE1-CB 3.81Å; F145-L176 HydrophobicContact CE2-CD1 4.4Å; F145-L176 HydrophobicContact CG-CB 4.33Å; F145-L176 HydrophobicContact CG-CD1 4.12Å; F145-L176 HydrophobicContact CZ-CB 4.49Å; Y172-L176 HydrophobicContact CD1-CD1 3.93Å; Y172-L176 HydrophobicContact CD1-CG 4.37Å; Y172-L176 HydrophobicContact CE1-CD1 3.58Å; Y172-L176 HydrophobicContact CE1-CD2 4.47Å; Y172-L176 HydrophobicContact CE1-CG 4.05Å; Y172-L176 HydrophobicContact CE2-CG 4.44Å; Y172-L176 WeakPolarHBondContact O-CG 3.35Å; Y172-L176 PolarHBondContact O-N 3.36Å; T173-L176 PolarHBondContact O-N 2.76Å; I174-L176 PolarHBondContact O-N 3.49Å; L176-I178 PolarHBondContact O-N 3.07Å; L176-R179 WeakPolarHBondContact O-CB 3.3Å; L176-R179 PolarHBondContact O-N 2.68Å; L176-V180 VanDerWaalsContact O-CG2 3.31Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 2.69Å
177L94.2Very high84.1Confident0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-61.2-45.4177.5-69.1170.7000111.9F145 I149 L162 T173 I174 R179 V180 L181 I197 W200 L201F145-L177 HydrophobicContact CE1-CD2 3.84Å; F145-L177 HydrophobicContact CE1-CG 4.24Å; F145-L177 HydrophobicContact CZ-CD2 4.43Å; I149-L177 HydrophobicContact CD1-CD2 4.24Å; L162-L177 HydrophobicContact CD1-CD2 4.33Å; L162-L177 HydrophobicContact CD2-CD2 3.74Å; T173-L177 HydrophobicContact CG2-CD1 4.1Å; T173-L177 HydrophobicContact CG2-CG 4.48Å; T173-L177 VanDerWaalsContact O-CG 3.3Å; T173-L177 WeakPolarHBondContact O-CG 3.35Å; T173-L177 PolarHBondContact O-N 3Å; I174-L177 PolarHBondContact O-N 3.36Å; L177-R179 VanDerWaalsContact C-N 3.34Å; L177-R179 PolarHBondContact O-N 2.89Å; L177-V180 PolarHBondContact O-N 3.03Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 3.24Å; L177-I197 HydrophobicContact CB-CG2 4.06Å; L177-I197 HydrophobicContact CD2-CB 4.4Å; L177-I197 HydrophobicContact CD2-CD1 4.12Å; L177-I197 HydrophobicContact CD2-CG1 3.86Å; L177-I197 HydrophobicContact CD2-CG2 3.82Å; L177-I197 HydrophobicContact CG-CG2 4.42Å; L177-W200 HydrophobicContact CD1-CE3 3.65Å; L177-W200 HydrophobicContact CD1-CH2 4.42Å; L177-W200 HydrophobicContact CD1-CZ3 3.5Å; L177-W200 VanDerWaalsContact CD1-CZ3 3.5Å; L177-L201 HydrophobicContact CD1-CD2 4.15Å
178I93.5Very high82.6Confident0 Ų045.8 Ų45.80%024%0.237CC..Hα-helixtrans-61.3-43.4175.5-66.9-61000111I174 H175 L176 V180 L181 E182 L215 Y218 L223 L226 F233I174-I178 HydrophobicContact CG2-CG1 4.34Å; I174-I178 VanDerWaalsContact O-CG1 3.3Å; I174-I178 WeakPolarHBondContact O-CG1 3.26Å; I174-I178 PolarHBondContact O-N 3.3Å; H175-I178 PolarHBondContact O-N 3.36Å; L176-I178 PolarHBondContact O-N 3.07Å; I178-V180 PolarHBondContact O-N 3.32Å; I178-L181 PolarHBondContact O-N 3.46Å; I178-E182 WeakPolarHBondContact O-CG 3.44Å; I178-E182 PolarHBondContact O-N 3.01Å; I178-L215 HydrophobicContact CD1-CD1 4.01Å; I178-L215 HydrophobicContact CG1-CD1 4.43Å; I178-Y218 HydrophobicContact CB-CE1 4Å; I178-Y218 HydrophobicContact CG1-CD1 4.33Å; I178-Y218 HydrophobicContact CG1-CE1 4.19Å; I178-Y218 HydrophobicContact CG2-CD1 4.1Å; I178-Y218 HydrophobicContact CG2-CE1 3.33Å; I178-L223 HydrophobicContact CD1-CD2 3.82Å; I178-L226 HydrophobicContact CB-CD1 4.42Å; I178-L226 HydrophobicContact CD1-CD1 3.71Å; I178-L226 HydrophobicContact CG2-CD1 3.69Å; I178-F233 HydrophobicContact CD1-CE2 3.95Å; I178-F233 HydrophobicContact CD1-CZ 3.7Å
179R90.5Very high81.4Confident66 Ų6648.3 Ų48.325%0.24925%0.245CC..Hα-helixtrans-62.4-39.7175.6-75.8-70.6-164.7-164.813.2113H175 L176 L177 E182 Q183 R222H175-R179 WeakPolarHBondContact O-CB 3.32Å; H175-R179 VanDerWaalsContact O-CG 3.3Å; H175-R179 WeakPolarHBondContact O-CG 3.36Å; H175-R179 PolarHBondContact O-N 2.91Å; L176-R179 WeakPolarHBondContact O-CB 3.3Å; L176-R179 PolarHBondContact O-N 2.68Å; L177-R179 VanDerWaalsContact C-N 3.34Å; L177-R179 PolarHBondContact O-N 2.89Å; R179-E182 IonicContact NH1-OE2 3.08Å; R179-E182 PolarHBondContact NH1-OE2 2.92Å; R179-E182 PolarHBondContact O-N 3.36Å; R179-Q183 VanDerWaalsContact O-CG 3.31Å; R179-Q183 WeakPolarHBondContact O-CG 3.03Å; R179-Q183 PolarHBondContact O-N 3.23Å; R179-Q183 VanDerWaalsContact O-N 3.15Å; R179-R222 VanDerWaalsContact CD-NH2 3.29Å; R179-R222 VanDerWaalsContact CZ-NH1 3.35Å
180V90.6Very high80.2Confident7 Ų750.1 Ų50.14%0.04226%0.259CS..Hα-helixtrans-63.9-44176.1170.40000110.7S142 F145 L176 L177 I178 Q183 S184 L193 I197S142-V180 VanDerWaalsContact O-CG2 3.24Å; S142-V180 WeakPolarHBondContact O-CG2 3.43Å; F145-V180 HydrophobicContact CD1-CG2 3.92Å; L176-V180 VanDerWaalsContact O-CG2 3.31Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 2.69Å; L177-V180 PolarHBondContact O-N 3.03Å; I178-V180 PolarHBondContact O-N 3.32Å; V180-Q183 PolarHBondContact O-N 3.07Å; V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 2.9Å; V180-L193 HydrophobicContact CG1-CD2 3.78Å; V180-L193 HydrophobicContact CG1-CG 4.4Å; V180-I197 HydrophobicContact CB-CD1 4.11Å; V180-I197 HydrophobicContact CG1-CD1 3.49Å; V180-I197 VanDerWaalsContact CG1-CD1 3.49Å
181L91.9Very high79.6Confident1 Ų153.1 Ų53.11%0.00528%0.275CS..Hα-helixtrans-61.5-46176.7-70.7175000111.6L177 I178 Q183 S184 R194 I197 I198 L201 L226 I230 F233L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 3.24Å; I178-L181 PolarHBondContact O-N 3.46Å; L181-Q183 PolarHBondContact O-N 3.47Å; L181-S184 WeakPolarHBondContact O-CB 3.39Å; L181-S184 PolarHBondContact O-N 3.41Å; L181-S184 VanDerWaalsContact O-N 3.12Å; L181-S184 PolarHBondContact O-OG 2.87Å; L181-R194 HydrophobicContact CD2-CB 4.3Å; L181-R194 HydrophobicContact CD2-CG 4.28Å; L181-I197 HydrophobicContact CD1-CG2 3.85Å; L181-I197 HydrophobicContact CD2-CB 4.2Å; L181-I197 HydrophobicContact CD2-CD1 4.47Å; L181-I197 HydrophobicContact CD2-CG2 4Å; L181-I197 HydrophobicContact CG-CG2 3.87Å; L181-I198 HydrophobicContact CD2-CG1 4.4Å; L181-L201 HydrophobicContact CD1-CD1 4.26Å; L181-L226 HydrophobicContact CB-CD1 4.4Å; L181-L226 HydrophobicContact CB-CD2 3.81Å; L181-I230 HydrophobicContact CB-CD1 4.1Å; L181-I230 HydrophobicContact CD2-CD1 4.33Å; L181-F233 HydrophobicContact CD1-CD2 3.8Å; L181-F233 HydrophobicContact CD1-CE2 3.84Å
182E88.8Confident79.3Confident39 Ų3954.5 Ų54.518%0.18228%0.284CS..Hα-helixtrans-58.9-34.8177.4-74171.5-177.200112.8I178 R179 R222 L226I178-E182 WeakPolarHBondContact O-CG 3.44Å; I178-E182 PolarHBondContact O-N 3.01Å; R179-E182 IonicContact NH1-OE2 3.08Å; R179-E182 PolarHBondContact NH1-OE2 2.92Å; R179-E182 PolarHBondContact O-N 3.36Å; E182-R222 IonicContact OE1-CZ 2.99Å; E182-R222 IonicContact OE1-NE 3.81Å; E182-R222 PolarHBondContact OE1-NE 3.37Å; E182-R222 IonicContact OE1-NH2 3.39Å; E182-R222 PolarHBondContact OE1-NH2 3.09Å; E182-R222 IonicContact OE2-CZ 3.44Å; E182-R222 IonicContact OE2-NE 3.63Å; E182-R222 IonicContact OE2-NH2 2.98Å; E182-R222 PolarHBondContact OE2-NH2 2.94Å; E182-L226 HydrophobicContact CB-CD2 4.42Å; E182-L226 HydrophobicContact CG-CD1 4.34Å; E182-L226 HydrophobicContact CG-CD2 3.72Å; E182-L226 HydrophobicContact CG-CG 3.94Å
183Q82.8Confident79.1Confident32 Ų3253.6 Ų53.615%0.1528%0.282CS..Hα-helixtrans-84.5-19.1-179.4-70.5172.92.300113.2S142 R179 V180 L181 E185 Q186S142-Q183 PolarHBondContact OG-NE2 3.1Å; S142-Q183 PolarHBondContact OG-OE1 2.91Å; R179-Q183 VanDerWaalsContact O-CG 3.31Å; R179-Q183 WeakPolarHBondContact O-CG 3.03Å; R179-Q183 PolarHBondContact O-N 3.23Å; R179-Q183 VanDerWaalsContact O-N 3.15Å; V180-Q183 PolarHBondContact O-N 3.07Å; L181-Q183 PolarHBondContact O-N 3.47Å; Q183-E185 PolarHBondContact O-N 3.42Å; Q183-Q186 PolarHBondContact O-N 2.9Å; Q183-Q186 VanDerWaalsContact O-N 3.13Å
184S77.7Confident78.9Confident11 Ų1155.9 Ų55.98%0.07729%0.29CS..Hα-helixtrans-66-24.3-174.671.40000112.6V180 L181 Q186 C187 R194V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 2.9Å; L181-S184 WeakPolarHBondContact O-CB 3.39Å; L181-S184 PolarHBondContact O-N 3.41Å; L181-S184 VanDerWaalsContact O-N 3.12Å; L181-S184 PolarHBondContact O-OG 2.87Å; S184-Q186 PolarHBondContact O-N 3.04Å; S184-C187 PolarHBondContact O-N 3.35Å; S184-C187 VanDerWaalsContact O-O 3.07Å; S184-R194 PolarHBondContact O-NH2 3.19Å; S184-R194 PolarHBondContact OG-NE 2.87Å
185E65.2Low78.6Confident112 Ų11259.9 Ų59.952%0.52331%0.314SS..THydrogen-bonded Turntrans-64.6-28.6175.6-161.8-179.2-176.100112.5Q183 C187 R194 Q229Q183-E185 PolarHBondContact O-N 3.42Å; E185-C187 VanDerWaalsContact C-N 3.28Å; E185-C187 PolarHBondContact O-N 3.44Å; E185-R194 VanDerWaalsContact CA-NH2 3.3Å; E185-Q229 WeakPolarHBondContact OE2-CG 3.36Å
186Q58.5Low78.4Confident153 Ų15358.7 Ų58.772%0.71531%0.311SS*.THydrogen-bonded Turntrans-84.8-0.5-175.8-60.9-179.7-400113.6Q183 S184Q183-Q186 PolarHBondContact O-N 2.9Å; Q183-Q186 VanDerWaalsContact O-N 3.13Å; S184-Q186 PolarHBondContact O-N 3.04Å
187C52.6Low78.5Confident56 Ų5658 Ų5838%0.37831%0.308SS..SBendtrans-131.1129.4-176.1-146.80000108.7S184 E185 K189S184-C187 PolarHBondContact O-N 3.35Å; S184-C187 VanDerWaalsContact O-O 3.07Å; E185-C187 VanDerWaalsContact C-N 3.28Å; E185-C187 PolarHBondContact O-N 3.44Å; C187-K189 HydrophobicContact CB-CB 4.21Å; C187-K189 HydrophobicContact CB-CG 4.38Å; C187-K189 PolarHBondContact O-N 2.75Å; C187-K189 VanDerWaalsContact SG-CG 3.58Å
188D52.9Low78.5Confident184 Ų18458.6 Ų58.698%0.98431%0.31SS*.  trans-61.413.8171-64.5-40000113.4S190D188-S190 PolarHBondContact O-N 2.87Å
189K54.6Low78.5Confident139 Ų13962.4 Ų62.460%0.60433%0.328SS*.  trans-83.5108.1-177.7-74.1-174.4-178.3-176.50110.8C187C187-K189 HydrophobicContact CB-CB 4.21Å; C187-K189 HydrophobicContact CB-CG 4.38Å; C187-K189 PolarHBondContact O-N 2.75Å; C187-K189 VanDerWaalsContact SG-CG 3.58Å
190S58.7Low78.7Confident68 Ų6859.7 Ų59.748%0.47632%0.318SS..  trans42.9101.7147.6-1700000117.2D188 A192 L193D188-S190 PolarHBondContact O-N 2.87Å; S190-A192 PolarHBondContact O-N 3.42Å; S190-A192 WeakPolarHBondContact OG-CB 3.39Å; S190-A192 PolarHBondContact OG-N 2.83Å; S190-L193 PolarHBondContact O-N 3.2Å
191D76.7Confident79Confident119 Ų11959.3 Ų59.364%0.63632%0.316SS*.Hα-helixtrans-46-22.7160.7-72-32.7000113.2T195D191-T195 VanDerWaalsContact O-CB 3.25Å; D191-T195 WeakPolarHBondContact O-CB 3.25Å; D191-T195 PolarHBondContact O-N 2.91Å; D191-T195 PolarHBondContact O-OG1 3.42Å
192A80.1Confident79.1Confident62 Ų6261.3 Ų61.351%0.51233%0.326SS..Hα-helixtrans-65.9-38.2177.300000113.1S190 T195 A196S190-A192 PolarHBondContact O-N 3.42Å; S190-A192 WeakPolarHBondContact OG-CB 3.39Å; S190-A192 PolarHBondContact OG-N 2.83Å; A192-T195 PolarHBondContact O-N 2.97Å; A192-A196 VanDerWaalsContact O-CB 3.31Å; A192-A196 WeakPolarHBondContact O-CB 3.21Å; A192-A196 PolarHBondContact O-N 3.09Å
193L83.6Confident79.3Confident20 Ų2061.4 Ų61.411%0.10533%0.329CS..Hα-helixtrans-64.6-48.2177.8176.166.4000110.2I149 S150 V180 S190 T195 A196 I197I149-L193 HydrophobicContact CB-CD1 3.69Å; I149-L193 HydrophobicContact CG2-CD1 3.39Å; S150-L193 WeakPolarHBondContact OG-CD2 3.32Å; V180-L193 HydrophobicContact CG1-CD2 3.78Å; V180-L193 HydrophobicContact CG1-CG 4.4Å; S190-L193 PolarHBondContact O-N 3.2Å; L193-T195 VanDerWaalsContact C-N 3.32Å; L193-T195 PolarHBondContact O-N 3.37Å; L193-A196 PolarHBondContact O-N 3.24Å; L193-I197 HydrophobicContact CD1-CD1 3.89Å; L193-I197 HydrophobicContact CD1-CG1 4.31Å; L193-I197 HydrophobicContact CG-CD1 3.96Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 3.03Å
194R87.7Confident79.8Confident53 Ų5360.5 Ų60.520%0.233%0.327CS..Hα-helixtrans-59.2-46.7177-65-177.2-172.2164.65.7110.7L181 S184 E185 A196 I197 I198L181-R194 HydrophobicContact CD2-CB 4.3Å; L181-R194 HydrophobicContact CD2-CG 4.28Å; S184-R194 PolarHBondContact O-NH2 3.19Å; S184-R194 PolarHBondContact OG-NE 2.87Å; E185-R194 VanDerWaalsContact CA-NH2 3.3Å; R194-A196 PolarHBondContact O-N 2.82Å; R194-I197 PolarHBondContact O-N 2.8Å; R194-I198 WeakPolarHBondContact O-CB 3.37Å; R194-I198 VanDerWaalsContact O-CG1 3.26Å; R194-I198 WeakPolarHBondContact O-CG1 3.36Å; R194-I198 PolarHBondContact O-N 3.28Å
195T87Confident80.5Confident84 Ų8460 Ų6052%0.51532%0.323SS..Hα-helixtrans-60.2-44.4179.1-59.40000111.4D191 A192 L193 H199D191-T195 VanDerWaalsContact O-CB 3.25Å; D191-T195 WeakPolarHBondContact O-CB 3.25Å; D191-T195 PolarHBondContact O-N 2.91Å; D191-T195 PolarHBondContact O-OG1 3.42Å; A192-T195 PolarHBondContact O-N 2.97Å; L193-T195 VanDerWaalsContact C-N 3.32Å; L193-T195 PolarHBondContact O-N 3.37Å; T195-H199 WeakPolarHBondContact O-CB 3.37Å; T195-H199 PolarHBondContact O-N 3.07Å
196A88Confident81.7Confident13 Ų1359.3 Ų59.311%0.10732%0.32CS..Hα-helixtrans-62.9-47178.300000111.9L155 A192 L193 R194 H199 W200L155-A196 HydrophobicContact CD1-CB 3.55Å; A192-A196 VanDerWaalsContact O-CB 3.31Å; A192-A196 WeakPolarHBondContact O-CB 3.21Å; A192-A196 PolarHBondContact O-N 3.09Å; L193-A196 PolarHBondContact O-N 3.24Å; R194-A196 PolarHBondContact O-N 2.82Å; A196-H199 PolarHBondContact O-N 3.34Å; A196-W200 WeakPolarHBondContact O-CB 3.48Å; A196-W200 PolarHBondContact O-N 3.4Å
197I93.3Very high83.2Confident0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-64-46.4178.8-67.5172.5000111I149 L177 V180 L181 L193 R194 H199 W200 L201I149-I197 HydrophobicContact CD1-CD1 4.46Å; L177-I197 HydrophobicContact CB-CG2 4.06Å; L177-I197 HydrophobicContact CD2-CB 4.4Å; L177-I197 HydrophobicContact CD2-CD1 4.12Å; L177-I197 HydrophobicContact CD2-CG1 3.86Å; L177-I197 HydrophobicContact CD2-CG2 3.82Å; L177-I197 HydrophobicContact CG-CG2 4.42Å; V180-I197 HydrophobicContact CB-CD1 4.11Å; V180-I197 HydrophobicContact CG1-CD1 3.49Å; V180-I197 VanDerWaalsContact CG1-CD1 3.49Å; L181-I197 HydrophobicContact CD1-CG2 3.85Å; L181-I197 HydrophobicContact CD2-CB 4.2Å; L181-I197 HydrophobicContact CD2-CD1 4.47Å; L181-I197 HydrophobicContact CD2-CG2 4Å; L181-I197 HydrophobicContact CG-CG2 3.87Å; L193-I197 HydrophobicContact CD1-CD1 3.89Å; L193-I197 HydrophobicContact CD1-CG1 4.31Å; L193-I197 HydrophobicContact CG-CD1 3.96Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 3.03Å; R194-I197 PolarHBondContact O-N 2.8Å; I197-H199 VanDerWaalsContact C-N 3.34Å; I197-H199 PolarHBondContact O-N 3.36Å; I197-W200 PolarHBondContact O-N 3.32Å; I197-L201 HydrophobicContact CG2-CD1 3.98Å; I197-L201 HydrophobicContact CG2-CG 4.44Å; I197-L201 WeakPolarHBondContact O-CB 3.33Å; I197-L201 WeakPolarHBondContact O-CG 3.24Å; I197-L201 PolarHBondContact O-N 3.04Å
198I93.7Very high84.9Confident11 Ų1160.3 Ų60.36%0.05632%0.319CS..Hα-helixtrans-62.8-42.8178.8-71.2170000110.7L181 R194 L201 L202 I230 D232 F233 V236L181-I198 HydrophobicContact CD2-CG1 4.4Å; R194-I198 WeakPolarHBondContact O-CB 3.37Å; R194-I198 VanDerWaalsContact O-CG1 3.26Å; R194-I198 WeakPolarHBondContact O-CG1 3.36Å; R194-I198 PolarHBondContact O-N 3.28Å; I198-L201 PolarHBondContact O-N 2.89Å; I198-L202 HydrophobicContact CG2-CD1 4.23Å; I198-L202 WeakPolarHBondContact O-CG 3.31Å; I198-L202 PolarHBondContact O-N 3.46Å; I198-I230 HydrophobicContact CD1-CG2 3.97Å; I198-D232 HydrophobicContact CD1-CB 3.93Å; I198-F233 HydrophobicContact CD1-CB 4.48Å; I198-F233 HydrophobicContact CG1-CD2 4.41Å; I198-V236 HydrophobicContact CG2-CG2 3.89Å
199H93.1Very high86.6Confident80 Ų8054.4 Ų54.437%0.3729%0.285SS..Hα-helixtrans-61.9-48176.8-175.772.1000111.4E159 T195 A196 I197 L201 L202 V203E159-H199 IonicContact OE1-CD2 2.63Å; E159-H199 PolarHBondContact OE1-CD2 3.46Å; E159-H199 IonicContact OE1-NE2 3.68Å; T195-H199 WeakPolarHBondContact O-CB 3.37Å; T195-H199 PolarHBondContact O-N 3.07Å; A196-H199 PolarHBondContact O-N 3.34Å; I197-H199 VanDerWaalsContact C-N 3.34Å; I197-H199 PolarHBondContact O-N 3.36Å; H199-L201 PolarHBondContact O-N 3.13Å; H199-L202 WeakPolarHBondContact O-CB 3.38Å; H199-L202 PolarHBondContact O-N 3.37Å; H199-V203 WeakPolarHBondContact O-CG2 3.43Å; H199-V203 PolarHBondContact O-N 2.83Å
200W95.5Very high88.2Confident9 Ų952.2 Ų52.23%0.03428%0.277CS..Hα-helixtrans-60.3-45.6178.3-175.287.7000111.4L162 D163 F166 I174 L177 A196 I197 L202 V203 A204L162-W200 HydrophobicContact CB-CD2 3.92Å; L162-W200 HydrophobicContact CB-CG 4.05Å; L162-W200 HydrophobicContact CB-CZ2 4.11Å; L162-W200 HydrophobicContact CD1-CB 3.83Å; L162-W200 HydrophobicContact CD1-CD2 3.93Å; L162-W200 HydrophobicContact CD1-CG 3.58Å; L162-W200 HydrophobicContact CG-CG 4.48Å; D163-W200 PolarHBondContact OD1-NE1 3.27Å; F166-W200 HydrophobicContact CB-CH2 3.87Å; F166-W200 HydrophobicContact CB-CZ2 3.88Å; F166-W200 AromaticContact CD2-CH2 3.65Å; F166-W200 HydrophobicContact CD2-CH2 3.65Å; F166-W200 HydrophobicContact CD2-CZ2 4.43Å; F166-W200 HydrophobicContact CE2-CH2 4.4Å; F166-W200 AromaticContact CG-CH2 3.82Å; F166-W200 HydrophobicContact CG-CH2 3.82Å; F166-W200 HydrophobicContact CG-CZ2 4.15Å; I174-W200 HydrophobicContact CD1-CZ3 4.12Å; L177-W200 HydrophobicContact CD1-CE3 3.65Å; L177-W200 HydrophobicContact CD1-CH2 4.42Å; L177-W200 HydrophobicContact CD1-CZ3 3.5Å; L177-W200 VanDerWaalsContact CD1-CZ3 3.5Å; A196-W200 WeakPolarHBondContact O-CB 3.48Å; A196-W200 PolarHBondContact O-N 3.4Å; I197-W200 PolarHBondContact O-N 3.32Å; W200-L202 VanDerWaalsContact C-N 3.33Å; W200-L202 PolarHBondContact O-N 2.91Å; W200-V203 PolarHBondContact O-N 3.32Å; W200-A204 HydrophobicContact CD2-CB 4.36Å; W200-A204 HydrophobicContact CE3-CB 4.14Å; W200-A204 HydrophobicContact CH2-CB 3.93Å; W200-A204 HydrophobicContact CZ2-CB 4.16Å; W200-A204 HydrophobicContact CZ3-CB 3.92Å; W200-A204 VanDerWaalsContact O-CB 3.3Å; W200-A204 WeakPolarHBondContact O-CB 3.34Å; W200-A204 PolarHBondContact O-N 2.69Å
201L96.1Very high89.8Confident0 Ų049 Ų490%025%0.254CS..Hα-helixtrans-58-43.9176.5-75.7170.4000112I174 L177 L181 I197 I198 H199 V203 A204 I205 F233 V236I174-L201 HydrophobicContact CD1-CD2 3.56Å; L177-L201 HydrophobicContact CD1-CD2 4.15Å; L181-L201 HydrophobicContact CD1-CD1 4.26Å; I197-L201 HydrophobicContact CG2-CD1 3.98Å; I197-L201 HydrophobicContact CG2-CG 4.44Å; I197-L201 WeakPolarHBondContact O-CB 3.33Å; I197-L201 WeakPolarHBondContact O-CG 3.24Å; I197-L201 PolarHBondContact O-N 3.04Å; I198-L201 PolarHBondContact O-N 2.89Å; H199-L201 PolarHBondContact O-N 3.13Å; L201-V203 VanDerWaalsContact C-N 3.34Å; L201-V203 PolarHBondContact O-N 3.31Å; L201-A204 PolarHBondContact O-N 2.87Å; L201-I205 VanDerWaalsContact O-CG1 3.31Å; L201-I205 WeakPolarHBondContact O-CG1 3.4Å; L201-I205 WeakPolarHBondContact O-CG2 3.21Å; L201-I205 PolarHBondContact O-N 3.12Å; L201-F233 HydrophobicContact CD1-CE2 4.05Å; L201-V236 HydrophobicContact CB-CG1 4.16Å; L201-V236 HydrophobicContact CB-CG2 4.36Å
202L94.4Very high90.5Very high42 Ų4243.3 Ų43.322%0.2222%0.224CC..Hα-helixtrans-60.9-41.9177.2-75.6169.8000112.6I198 H199 W200 I205 K235 V236 K239I198-L202 HydrophobicContact CG2-CD1 4.23Å; I198-L202 WeakPolarHBondContact O-CG 3.31Å; I198-L202 PolarHBondContact O-N 3.46Å; H199-L202 WeakPolarHBondContact O-CB 3.38Å; H199-L202 PolarHBondContact O-N 3.37Å; W200-L202 VanDerWaalsContact C-N 3.33Å; W200-L202 PolarHBondContact O-N 2.91Å; L202-I205 WeakPolarHBondContact O-CG1 3.44Å; L202-K235 HydrophobicContact CD1-CB 4.44Å; L202-K235 HydrophobicContact CD2-CB 4.47Å; L202-V236 HydrophobicContact CD2-CB 4.45Å; L202-V236 HydrophobicContact CD2-CG2 4.23Å; L202-V236 HydrophobicContact CG-CG2 4.13Å; L202-K239 HydrophobicContact CD2-CB 3.7Å; L202-K239 HydrophobicContact CD2-CG 3.98Å
203V93.3Very high90.9Very high42 Ų4242.6 Ų42.626%0.25521%0.211SC..Hα-helixtrans-71.2-42.3179.3174.30000110.7H199 W200 L201 Q206 K207H199-V203 WeakPolarHBondContact O-CG2 3.43Å; H199-V203 PolarHBondContact O-N 2.83Å; W200-V203 PolarHBondContact O-N 3.32Å; L201-V203 VanDerWaalsContact C-N 3.34Å; L201-V203 PolarHBondContact O-N 3.31Å; V203-Q206 PolarHBondContact O-N 3.11Å; V203-K207 HydrophobicContact CG1-CD 3.81Å; V203-K207 WeakPolarHBondContact O-CG 3.43Å; V203-K207 PolarHBondContact O-N 3.25Å
204A93.2Very high91.1Very high12 Ų1242.3 Ų42.310%0.09921%0.211CC..Hα-helixtrans-62.8-51.5-178.800000111.4W200 L201 Q206 K207 D208 A211W200-A204 HydrophobicContact CD2-CB 4.36Å; W200-A204 HydrophobicContact CE3-CB 4.14Å; W200-A204 HydrophobicContact CH2-CB 3.93Å; W200-A204 HydrophobicContact CZ2-CB 4.16Å; W200-A204 HydrophobicContact CZ3-CB 3.92Å; W200-A204 VanDerWaalsContact O-CB 3.3Å; W200-A204 WeakPolarHBondContact O-CB 3.34Å; W200-A204 PolarHBondContact O-N 2.69Å; L201-A204 PolarHBondContact O-N 2.87Å; A204-Q206 PolarHBondContact O-N 2.91Å; A204-Q206 VanDerWaalsContact O-N 3.13Å; A204-K207 PolarHBondContact O-N 3.34Å; A204-K207 VanDerWaalsContact O-N 3.1Å; A204-D208 WeakPolarHBondContact O-CB 3.46Å; A204-D208 PolarHBondContact O-N 2.87Å; A204-A211 HydrophobicContact CB-CB 3.9Å
205I92.6Very high91.4Very high0 Ų039.8 Ų39.80%020%0.202CC..Hα-helixtrans-67-15.1-179.468.2-176.9000114.2L201 L202 A211 L215 V236 K239 L240 H246L201-I205 VanDerWaalsContact O-CG1 3.31Å; L201-I205 WeakPolarHBondContact O-CG1 3.4Å; L201-I205 WeakPolarHBondContact O-CG2 3.21Å; L201-I205 PolarHBondContact O-N 3.12Å; L202-I205 WeakPolarHBondContact O-CG1 3.44Å; I205-A211 HydrophobicContact CG2-CB 4.49Å; I205-L215 HydrophobicContact CG2-CB 4.38Å; I205-L215 HydrophobicContact CG2-CD2 3.9Å; I205-V236 HydrophobicContact CD1-CG1 4.09Å; I205-K239 HydrophobicContact CD1-CB 3.81Å; I205-K239 HydrophobicContact CD1-CG 3.66Å; I205-K239 HydrophobicContact CG1-CG 4.07Å; I205-L240 HydrophobicContact CB-CD2 4.41Å; I205-L240 HydrophobicContact CD1-CD2 4.15Å; I205-L240 HydrophobicContact CD1-CG 4.21Å; I205-L240 HydrophobicContact CG2-CD2 4.21Å; I205-H246 PolarHBondContact O-CD2 2.83Å; I205-H246 PolarHBondContact O-NE2 2.78Å
206Q90.6Very high91.5Very high98 Ų9836 Ų3646%0.45818%0.179SC..Hα-helixtrans-86.9-32.4174.7-179.7176.4-4.600111.7V203 A204V203-Q206 PolarHBondContact O-N 3.11Å; A204-Q206 PolarHBondContact O-N 2.91Å; A204-Q206 VanDerWaalsContact O-N 3.13Å
207K89.5Confident91.4Very high167 Ų16738.4 Ų38.473%0.72620%0.195SC*.Hα-helixtrans-98.9-26-172.7-69.2179.6179.8172.30113.1V203 A204V203-K207 HydrophobicContact CG1-CD 3.81Å; V203-K207 WeakPolarHBondContact O-CG 3.43Å; V203-K207 PolarHBondContact O-N 3.25Å; A204-K207 PolarHBondContact O-N 3.34Å; A204-K207 VanDerWaalsContact O-N 3.1Å
208D89Confident91.3Very high63 Ų6339.7 Ų39.734%0.33720%0.2SC..  trans-128.2124.7-167.9-164.6-63.1000111.5A204 E210 A211 Y212A204-D208 WeakPolarHBondContact O-CB 3.46Å; A204-D208 PolarHBondContact O-N 2.87Å; D208-E210 WeakPolarHBondContact OD1-CA 3.37Å; D208-E210 WeakPolarHBondContact OD1-CB 3.25Å; D208-E210 PolarHBondContact OD1-N 3.5Å; D208-A211 HydrophobicContact CB-CB 3.93Å; D208-A211 PolarHBondContact O-N 3.4Å; D208-A211 PolarHBondContact OD1-N 2.89Å; D208-Y212 PolarHBondContact O-N 3.43Å
209H87.5Confident91Very high60 Ų6042.9 Ų42.928%0.27822%0.217SC..Hα-helixtrans-67.8-35.5-178.8-173.154.6000112.8Y212 I213 H246H209-Y212 WeakPolarHBondContact O-CB 3.48Å; H209-Y212 PolarHBondContact O-N 3.46Å; H209-I213 VanDerWaalsContact NE2-CD1 3.28Å; H209-I213 WeakPolarHBondContact NE2-CD1 3.43Å; H209-I213 WeakPolarHBondContact O-CG1 3.45Å; H209-I213 PolarHBondContact O-N 2.71Å; H209-H246 PolarHBondContact CE1-O 3.35Å; H209-H246 WeakPolarHBondContact ND1-CB 3.44Å; H209-H246 AromaticContact ND1-CG 3.71Å; H209-H246 AromaticContact ND1-ND1 3.59Å
210E89.5Confident90.7Very high93 Ų9340.7 Ų40.744%0.43521%0.21SC..Hα-helixtrans-72.9-33.2179-62.9-57.115500110.9F166 D208 Y212 I213 S214F166-E210 HydrophobicContact CZ-CB 4.35Å; D208-E210 WeakPolarHBondContact OD1-CA 3.37Å; D208-E210 WeakPolarHBondContact OD1-CB 3.25Å; D208-E210 PolarHBondContact OD1-N 3.5Å; E210-Y212 VanDerWaalsContact C-N 3.33Å; E210-I213 PolarHBondContact O-N 3.11Å; E210-S214 WeakPolarHBondContact O-CB 3.34Å; E210-S214 PolarHBondContact O-N 3.06Å; E210-S214 PolarHBondContact O-OG 3.28Å
211A91.5Very high90.4Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-63.7-43.5172.800000110.6F166 A204 I205 D208 L215F166-A211 HydrophobicContact CE1-CB 4.37Å; F166-A211 HydrophobicContact CE2-CB 3.98Å; F166-A211 HydrophobicContact CZ-CB 3.61Å; A204-A211 HydrophobicContact CB-CB 3.9Å; I205-A211 HydrophobicContact CG2-CB 4.49Å; D208-A211 HydrophobicContact CB-CB 3.93Å; D208-A211 PolarHBondContact O-N 3.4Å; D208-A211 PolarHBondContact OD1-N 2.89Å; A211-L215 WeakPolarHBondContact O-CB 3.43Å; A211-L215 PolarHBondContact O-N 2.99Å
212Y90.8Very high90.1Very high0 Ų044.5 Ų44.50%023%0.228CC..Hα-helixtrans-59.3-51.5174.9-179.3-87.3000111.8D208 H209 E210 A216 L240 E243 H246 I263 L267D208-Y212 PolarHBondContact O-N 3.43Å; H209-Y212 WeakPolarHBondContact O-CB 3.48Å; H209-Y212 PolarHBondContact O-N 3.46Å; E210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-A216 WeakPolarHBondContact O-CB 3.43Å; Y212-A216 PolarHBondContact O-N 2.9Å; Y212-L240 HydrophobicContact CD2-CD2 3.79Å; Y212-L240 HydrophobicContact CE2-CB 4.47Å; Y212-L240 HydrophobicContact CE2-CD2 3.9Å; Y212-L240 VanDerWaalsContact CE2-O 3.3Å; Y212-L240 WeakPolarHBondContact CE2-O 3.44Å; Y212-L240 HydrophobicContact CG-CD2 4.44Å; Y212-L240 PolarHBondContact OH-O 2.72Å; Y212-E243 HydrophobicContact CD2-CB 4.23Å; Y212-E243 HydrophobicContact CE2-CB 3.95Å; Y212-H246 HydrophobicContact CD1-CB 4.02Å; Y212-H246 HydrophobicContact CD2-CB 4.49Å; Y212-H246 AromaticContact CD2-CD2 3.56Å; Y212-H246 HydrophobicContact CE1-CB 4.3Å; Y212-H246 HydrophobicContact CG-CB 4.13Å; Y212-H246 AromaticContact CG-CD2 3.62Å; Y212-I263 HydrophobicContact CE1-CD1 4.42Å; Y212-I263 HydrophobicContact CE1-CG2 3.85Å; Y212-L267 WeakPolarHBondContact OH-CD1 3.3Å
213I88.1Confident90.1Very high47 Ų4742.5 Ų42.524%0.24122%0.217CC..Hα-helixtrans-64.6-45.7179.7-70.5174.3000111.3H209 E210 L215 A216 S217 I263H209-I213 VanDerWaalsContact NE2-CD1 3.28Å; H209-I213 WeakPolarHBondContact NE2-CD1 3.43Å; H209-I213 WeakPolarHBondContact O-CG1 3.45Å; H209-I213 PolarHBondContact O-N 2.71Å; E210-I213 PolarHBondContact O-N 3.11Å; I213-L215 VanDerWaalsContact C-N 3.3Å; I213-L215 PolarHBondContact O-N 3.12Å; I213-A216 PolarHBondContact O-N 3.15Å; I213-S217 WeakPolarHBondContact O-CB 3.47Å; I213-S217 PolarHBondContact O-N 3.21Å; I213-S217 PolarHBondContact O-OG 2.65Å; I213-I263 HydrophobicContact CD1-CD1 4.37Å; I213-I263 HydrophobicContact CG1-CD1 4.14Å; I213-I263 HydrophobicContact CG1-CG1 4.41Å
214S89.5Confident89.9Confident15 Ų1543.4 Ų43.411%0.10522%0.216CC..Hα-helixtrans-60.6-40.4-178.6-69.40000111.9E210 S217 Y218E210-S214 WeakPolarHBondContact O-CB 3.34Å; E210-S214 PolarHBondContact O-N 3.06Å; E210-S214 PolarHBondContact O-OG 3.28Å; S214-S217 PolarHBondContact O-OG 2.95Å; S214-Y218 PolarHBondContact O-N 3.21Å
215L92.3Very high89.7Confident0 Ų045.7 Ų45.70%023%0.227CC..Hα-helixtrans-75.4-43.2176.3-171.263.9000112.2I174 I178 I205 A211 I213 S217 Y218 L223 V236 L240I174-L215 HydrophobicContact CG2-CB 4.48Å; I174-L215 HydrophobicContact CG2-CD1 3.96Å; I178-L215 HydrophobicContact CD1-CD1 4.01Å; I178-L215 HydrophobicContact CG1-CD1 4.43Å; I205-L215 HydrophobicContact CG2-CB 4.38Å; I205-L215 HydrophobicContact CG2-CD2 3.9Å; A211-L215 WeakPolarHBondContact O-CB 3.43Å; A211-L215 PolarHBondContact O-N 2.99Å; I213-L215 VanDerWaalsContact C-N 3.3Å; I213-L215 PolarHBondContact O-N 3.12Å; L215-S217 PolarHBondContact O-N 3.37Å; L215-Y218 VanDerWaalsContact O-CB 3.28Å; L215-Y218 WeakPolarHBondContact O-CB 3.41Å; L215-Y218 PolarHBondContact O-N 3.38Å; L215-Y218 VanDerWaalsContact O-N 3.14Å; L215-L223 HydrophobicContact CD1-CD2 4.07Å; L215-V236 HydrophobicContact CD2-CG1 3.44Å; L215-V236 VanDerWaalsContact CD2-CG1 3.44Å; L215-L240 HydrophobicContact CB-CD2 4.41Å; L215-L240 HydrophobicContact CD2-CD1 3.91Å; L215-L240 HydrophobicContact CD2-CD2 4.16Å; L215-L240 HydrophobicContact CD2-CG 4.22Å; L215-L240 HydrophobicContact CG-CD1 4.01Å; L215-L240 HydrophobicContact CG-CD2 4.48Å
216A89.1Confident89.6Confident4 Ų445.7 Ų45.73%0.03323%0.227CC..Hα-helixtrans-64-30.1178.300000112.9Y212 I213 Y218 L267Y212-A216 WeakPolarHBondContact O-CB 3.43Å; Y212-A216 PolarHBondContact O-N 2.9Å; I213-A216 PolarHBondContact O-N 3.15Å; A216-Y218 VanDerWaalsContact C-N 3.35Å; A216-L267 HydrophobicContact CB-CD2 4.29Å
217S87.2Confident89.6Confident64 Ų6441 Ų4145%0.44821%0.205SC..THydrogen-bonded Turntrans-84.1-7.7176.864.20000114.1I213 S214 L215I213-S217 WeakPolarHBondContact O-CB 3.47Å; I213-S217 PolarHBondContact O-N 3.21Å; I213-S217 PolarHBondContact O-OG 2.65Å; S214-S217 PolarHBondContact O-OG 2.95Å; L215-S217 PolarHBondContact O-N 3.37Å
218Y89.6Confident89.5Confident27 Ų2737.6 Ų37.611%0.10619%0.193CC..SBendtrans-65.4159.4177.8-154.9-98.7000111.6I174 H175 I178 S214 L215 A216 P220 R222 L223I174-Y218 HydrophobicContact CG2-CD2 4.41Å; H175-Y218 HydrophobicContact CB-CE2 4.05Å; H175-Y218 AromaticContact ND1-CE2 3.73Å; H175-Y218 AromaticContact ND1-CZ 3.74Å; H175-Y218 PolarHBondContact ND1-OH 3.29Å; I178-Y218 HydrophobicContact CB-CE1 4Å; I178-Y218 HydrophobicContact CG1-CD1 4.33Å; I178-Y218 HydrophobicContact CG1-CE1 4.19Å; I178-Y218 HydrophobicContact CG2-CD1 4.1Å; I178-Y218 HydrophobicContact CG2-CE1 3.33Å; S214-Y218 PolarHBondContact O-N 3.21Å; L215-Y218 VanDerWaalsContact O-CB 3.28Å; L215-Y218 WeakPolarHBondContact O-CB 3.41Å; L215-Y218 PolarHBondContact O-N 3.38Å; L215-Y218 VanDerWaalsContact O-N 3.14Å; A216-Y218 VanDerWaalsContact C-N 3.35Å; Y218-P220 VanDerWaalsContact O-CD 3.3Å; Y218-P220 WeakPolarHBondContact O-CD 3.38Å; Y218-R222 HydrophobicContact CE1-CB 4.29Å; Y218-R222 VanDerWaalsContact OH-CZ 3.25Å; Y218-R222 PolarHBondContact OH-NH1 2.96Å; Y218-R222 PolarHBondContact OH-NH2 3.39Å; Y218-R222 VanDerWaalsContact OH-NH2 3.11Å; Y218-L223 HydrophobicContact CD1-CD2 4.03Å; Y218-L223 HydrophobicContact CD1-CG 4.22Å
219N88.4Confident89.4Confident77 Ų7738.4 Ų38.441%0.41220%0.195SC..  trans-57.1115.7-176.9-177.6-47.4000110.8D221 R222 L223N219-D221 VanDerWaalsContact C-N 3.31Å; N219-D221 PolarHBondContact O-N 2.92Å; N219-D221 WeakPolarHBondContact OD1-CB 3.31Å; N219-D221 PolarHBondContact OD1-N 3.39Å; N219-R222 HydrophobicContact CB-CB 4.29Å; N219-R222 HydrophobicContact CB-CG 4.17Å; N219-R222 PolarHBondContact O-N 3.48Å; N219-R222 VanDerWaalsContact O-N 3.13Å; N219-R222 PolarHBondContact OD1-N 2.96Å; N219-L223 PolarHBondContact O-N 3.08Å; N219-L223 VanDerWaalsContact O-N 3.12Å
220P87.8Confident89.4Confident35 Ų3536 Ų3623%0.22719%0.185CC..Hα-helixtrans-70.2-26.1-171.427.6-35.8000113.2Y218 R222 R224 L270 R273Y218-P220 VanDerWaalsContact O-CD 3.3Å; Y218-P220 WeakPolarHBondContact O-CD 3.38Å; P220-R222 VanDerWaalsContact C-N 3.35Å; P220-R224 WeakPolarHBondContact O-CB 3.3Å; P220-R224 PolarHBondContact O-N 2.78Å; P220-L270 HydrophobicContact CB-CD1 3.94Å; P220-R273 HydrophobicContact CB-CB 4.33Å; P220-R273 HydrophobicContact CB-CG 3.92Å; P220-R273 HydrophobicContact CG-CG 4.19Å
221D87.8Confident89.1Confident44 Ų4435.7 Ų35.724%0.23519%0.19CC..Hα-helixtrans-66.8-40173.9-71.5-60000110.5N219 R224 D225 R273N219-D221 VanDerWaalsContact C-N 3.31Å; N219-D221 PolarHBondContact O-N 2.92Å; N219-D221 WeakPolarHBondContact OD1-CB 3.31Å; N219-D221 PolarHBondContact OD1-N 3.39Å; D221-R224 WeakPolarHBondContact O-CB 3.19Å; D221-R224 PolarHBondContact O-N 3.36Å; D221-R224 IonicContact OD1-CZ 3.56Å; D221-R224 IonicContact OD1-NH1 3.55Å; D221-R224 PolarHBondContact OD1-NH1 3.03Å; D221-R224 IonicContact OD1-NH2 3.19Å; D221-D225 PolarHBondContact O-N 2.9Å; D221-R273 WeakPolarHBondContact OD1-CD 3.33Å; D221-R273 IonicContact OD1-CZ 3.3Å; D221-R273 VanDerWaalsContact OD1-CZ 3.3Å; D221-R273 IonicContact OD1-NE 2.7Å; D221-R273 PolarHBondContact OD1-NE 3.36Å; D221-R273 IonicContact OD1-NH1 3.9Å; D221-R273 IonicContact OD1-NH2 3.69Å; D221-R273 IonicContact OD2-CZ 3.62Å; D221-R273 IonicContact OD2-NE 3.15Å; D221-R273 PolarHBondContact OD2-NE 3.36Å; D221-R273 IonicContact OD2-NH2 3.26Å; D221-R273 PolarHBondContact OD2-NH2 3.36Å
222R91.2Very high89Confident44 Ų4439.5 Ų39.517%0.16621%0.211CC..Hα-helixtrans-69.6-39.5177.1-66-177.361.5-166.9-13.1112.6R179 E182 Y218 N219 P220 R224 D225 L226R179-R222 VanDerWaalsContact CD-NH2 3.29Å; R179-R222 VanDerWaalsContact CZ-NH1 3.35Å; E182-R222 IonicContact OE1-CZ 2.99Å; E182-R222 IonicContact OE1-NE 3.81Å; E182-R222 PolarHBondContact OE1-NE 3.37Å; E182-R222 IonicContact OE1-NH2 3.39Å; E182-R222 PolarHBondContact OE1-NH2 3.09Å; E182-R222 IonicContact OE2-CZ 3.44Å; E182-R222 IonicContact OE2-NE 3.63Å; E182-R222 IonicContact OE2-NH2 2.98Å; E182-R222 PolarHBondContact OE2-NH2 2.94Å; Y218-R222 HydrophobicContact CE1-CB 4.29Å; Y218-R222 VanDerWaalsContact OH-CZ 3.25Å; Y218-R222 PolarHBondContact OH-NH1 2.96Å; Y218-R222 PolarHBondContact OH-NH2 3.39Å; Y218-R222 VanDerWaalsContact OH-NH2 3.11Å; N219-R222 HydrophobicContact CB-CB 4.29Å; N219-R222 HydrophobicContact CB-CG 4.17Å; N219-R222 PolarHBondContact O-N 3.48Å; N219-R222 VanDerWaalsContact O-N 3.13Å; N219-R222 PolarHBondContact OD1-N 2.96Å; P220-R222 VanDerWaalsContact C-N 3.35Å; R222-R224 VanDerWaalsContact C-N 3.34Å; R222-D225 PolarHBondContact O-N 3.32Å; R222-L226 PolarHBondContact O-N 3.44Å
223L92.5Very high89.1Confident0 Ų039.5 Ų39.50%021%0.211CC..Hα-helixtrans-63.8-39.6174.2-65.7-176.8000112I178 L215 Y218 N219 A227 F233 I237 L270I178-L223 HydrophobicContact CD1-CD2 3.82Å; L215-L223 HydrophobicContact CD1-CD2 4.07Å; Y218-L223 HydrophobicContact CD1-CD2 4.03Å; Y218-L223 HydrophobicContact CD1-CG 4.22Å; N219-L223 PolarHBondContact O-N 3.08Å; N219-L223 VanDerWaalsContact O-N 3.12Å; L223-A227 WeakPolarHBondContact O-CB 3.39Å; L223-A227 PolarHBondContact O-N 2.92Å; L223-F233 HydrophobicContact CD2-CE1 4.02Å; L223-F233 HydrophobicContact CD2-CZ 3.84Å; L223-I237 HydrophobicContact CB-CD1 4.2Å; L223-I237 HydrophobicContact CD1-CD1 4.49Å; L223-L270 HydrophobicContact CB-CD1 3.94Å; L223-L270 HydrophobicContact CD1-CD1 3.73Å; L223-L270 HydrophobicContact CD1-CD2 4.44Å; L223-L270 HydrophobicContact CG-CD1 4.48Å
224R89.1Confident89.2Confident61 Ų6137.3 Ų37.323%0.2320%0.2CC..Hα-helixtrans-59.7-49.9171.9177.4-15666.1-146.7-6.1110.9P220 D221 R222 L226 A227 I228 R273 I274 V277P220-R224 WeakPolarHBondContact O-CB 3.3Å; P220-R224 PolarHBondContact O-N 2.78Å; D221-R224 WeakPolarHBondContact O-CB 3.19Å; D221-R224 PolarHBondContact O-N 3.36Å; D221-R224 IonicContact OD1-CZ 3.56Å; D221-R224 IonicContact OD1-NH1 3.55Å; D221-R224 PolarHBondContact OD1-NH1 3.03Å; D221-R224 IonicContact OD1-NH2 3.19Å; R222-R224 VanDerWaalsContact C-N 3.34Å; R224-L226 VanDerWaalsContact C-N 3.3Å; R224-L226 PolarHBondContact O-N 3.47Å; R224-A227 WeakPolarHBondContact O-CB 3.44Å; R224-A227 PolarHBondContact O-N 2.8Å; R224-A227 VanDerWaalsContact O-N 3.09Å; R224-I228 HydrophobicContact CG-CD1 4.01Å; R224-I228 WeakPolarHBondContact O-CG1 3.25Å; R224-I228 PolarHBondContact O-N 3.37Å; R224-R273 HydrophobicContact CB-CB 4.29Å; R224-R273 WeakPolarHBondContact CD-O 3.35Å; R224-R273 WeakPolarHBondContact CG-O 3.25Å; R224-I274 HydrophobicContact CB-CG1 4.05Å; R224-V277 HydrophobicContact CG-CG2 3.71Å
225D89.5Confident89.3Confident60 Ų6041.9 Ų41.932%0.32122%0.218SC..Hα-helixtrans-61.9-41-177.3-65.4-13.9000111.2D221 R222 A227 I228 Q229D221-D225 PolarHBondContact O-N 2.9Å; R222-D225 PolarHBondContact O-N 3.32Å; D225-A227 PolarHBondContact O-N 3.23Å; D225-I228 PolarHBondContact O-N 3.47Å; D225-Q229 WeakPolarHBondContact O-CB 3.35Å; D225-Q229 VanDerWaalsContact O-CG 3.28Å; D225-Q229 WeakPolarHBondContact O-CG 3.41Å; D225-Q229 PolarHBondContact O-N 2.92Å
226L90.8Very high89.4Confident0 Ų041.9 Ų41.90%022%0.218CC..Hα-helixtrans-60.5-42.7171.4-85.4179.8000113.2I178 L181 E182 R222 R224 I228 Q229 I230 F233I178-L226 HydrophobicContact CB-CD1 4.42Å; I178-L226 HydrophobicContact CD1-CD1 3.71Å; I178-L226 HydrophobicContact CG2-CD1 3.69Å; L181-L226 HydrophobicContact CB-CD1 4.4Å; L181-L226 HydrophobicContact CB-CD2 3.81Å; E182-L226 HydrophobicContact CB-CD2 4.42Å; E182-L226 HydrophobicContact CG-CD1 4.34Å; E182-L226 HydrophobicContact CG-CD2 3.72Å; E182-L226 HydrophobicContact CG-CG 3.94Å; R222-L226 PolarHBondContact O-N 3.44Å; R224-L226 VanDerWaalsContact C-N 3.3Å; R224-L226 PolarHBondContact O-N 3.47Å; L226-I228 VanDerWaalsContact C-N 3.26Å; L226-I228 PolarHBondContact O-N 2.93Å; L226-Q229 PolarHBondContact O-N 3.36Å; L226-I230 HydrophobicContact CD2-CD1 3.99Å; L226-I230 WeakPolarHBondContact O-CA 3.39Å; L226-I230 WeakPolarHBondContact O-CB 3.22Å; L226-I230 PolarHBondContact O-N 3.28Å; L226-F233 HydrophobicContact CB-CD1 3.68Å; L226-F233 HydrophobicContact CB-CE1 3.82Å; L226-F233 HydrophobicContact CB-CG 4.29Å; L226-F233 HydrophobicContact CD1-CD1 4.5Å; L226-F233 HydrophobicContact CD1-CE1 4.07Å; L226-F233 HydrophobicContact CD1-CE2 4.38Å; L226-F233 HydrophobicContact CD1-CZ 4.01Å
227A90.5Very high89.6Confident0 Ų041.7 Ų41.70%022%0.216CC..Hα-helixtrans-65.8-30.7177.700000112.6L223 R224 D225 F233 I237 H279 L280L223-A227 WeakPolarHBondContact O-CB 3.39Å; L223-A227 PolarHBondContact O-N 2.92Å; R224-A227 WeakPolarHBondContact O-CB 3.44Å; R224-A227 PolarHBondContact O-N 2.8Å; R224-A227 VanDerWaalsContact O-N 3.09Å; D225-A227 PolarHBondContact O-N 3.23Å; A227-F233 HydrophobicContact CB-CD1 4.39Å; A227-I237 HydrophobicContact CB-CG1 4.48Å; A227-H279 PolarHBondContact O-CE1 3.14Å; A227-H279 VanDerWaalsContact O-CE1 3.24Å; A227-L280 HydrophobicContact CB-CD1 3.72Å
228I87.1Confident89.8Confident95 Ų9540 Ų4049%0.48720%0.202SC..Hα-helixtrans-70.7-45.9173-66.1166.8000110.4R224 D225 L226 V277R224-I228 HydrophobicContact CG-CD1 4.01Å; R224-I228 WeakPolarHBondContact O-CG1 3.25Å; R224-I228 PolarHBondContact O-N 3.37Å; D225-I228 PolarHBondContact O-N 3.47Å; L226-I228 VanDerWaalsContact C-N 3.26Å; L226-I228 PolarHBondContact O-N 2.93Å; I228-V277 HydrophobicContact CD1-CG2 4.11Å; I228-V277 HydrophobicContact CG1-CG1 4.14Å; I228-V277 HydrophobicContact CG1-CG2 3.78Å
229Q86.9Confident89.9Confident81 Ų8140.7 Ų40.738%0.37921%0.205SC..Hα-helixtrans-74.4-35.6-175.7-71.2167.9-4.200113.2E185 D225 L226E185-Q229 WeakPolarHBondContact OE2-CG 3.36Å; D225-Q229 WeakPolarHBondContact O-CB 3.35Å; D225-Q229 VanDerWaalsContact O-CG 3.28Å; D225-Q229 WeakPolarHBondContact O-CG 3.41Å; D225-Q229 PolarHBondContact O-N 2.92Å; L226-Q229 PolarHBondContact O-N 3.36Å
230I88.3Confident89.9Confident10 Ų1037 Ų375%0.05119%0.186CC..  trans-127.490.5-173.8-50.7179.1000108L181 I198 L226 D232 F233L181-I230 HydrophobicContact CB-CD1 4.1Å; L181-I230 HydrophobicContact CD2-CD1 4.33Å; I198-I230 HydrophobicContact CD1-CG2 3.97Å; L226-I230 HydrophobicContact CD2-CD1 3.99Å; L226-I230 WeakPolarHBondContact O-CA 3.39Å; L226-I230 WeakPolarHBondContact O-CB 3.22Å; L226-I230 PolarHBondContact O-N 3.28Å; I230-D232 PolarHBondContact O-N 3.4Å; I230-F233 HydrophobicContact CB-CB 4.06Å; I230-F233 HydrophobicContact CG2-CB 4.17Å; I230-F233 WeakPolarHBondContact O-CA 3.43Å; I230-F233 WeakPolarHBondContact O-CB 3.46Å; I230-F233 PolarHBondContact O-N 2.98Å
231P83.9Confident89.9Confident86 Ų8635.4 Ų35.456%0.55818%0.175SC*.G310 helixtrans-54.6-32.1-177-29.436000114.2F233 G234P231-F233 VanDerWaalsContact C-N 3.28Å; P231-F233 PolarHBondContact O-N 3.12Å; P231-G234 PolarHBondContact O-N 3.14Å
232D88.3Confident89.8Confident79 Ų7935.8 Ų35.842%0.42218%0.177SC..G310 helixtrans-66-28175.4-81.3-36.6000113.6I198 I230 G234 K235I198-D232 HydrophobicContact CD1-CB 3.93Å; I230-D232 PolarHBondContact O-N 3.4Å; D232-G234 PolarHBondContact O-N 3.43Å; D232-K235 VanDerWaalsContact O-CB 3.29Å; D232-K235 WeakPolarHBondContact O-CB 3.46Å; D232-K235 WeakPolarHBondContact O-CG 3.23Å; D232-K235 PolarHBondContact O-N 2.94Å; D232-K235 WeakPolarHBondContact OD1-CE 3.39Å; D232-K235 IonicContact OD1-NZ 3.87Å; D232-K235 PolarHBondContact OD1-NZ 3.37Å
233F92.3Very high89.4Confident0 Ų034.3 Ų34.30%017%0.172CC..G310 helixtrans-64.6-24.7173-171.6-104.4000111.5I178 L181 I198 L201 L223 L226 A227 I230 P231 K235 V236 I237I178-F233 HydrophobicContact CD1-CE2 3.95Å; I178-F233 HydrophobicContact CD1-CZ 3.7Å; L181-F233 HydrophobicContact CD1-CD2 3.8Å; L181-F233 HydrophobicContact CD1-CE2 3.84Å; I198-F233 HydrophobicContact CD1-CB 4.48Å; I198-F233 HydrophobicContact CG1-CD2 4.41Å; L201-F233 HydrophobicContact CD1-CE2 4.05Å; L223-F233 HydrophobicContact CD2-CE1 4.02Å; L223-F233 HydrophobicContact CD2-CZ 3.84Å; L226-F233 HydrophobicContact CB-CD1 3.68Å; L226-F233 HydrophobicContact CB-CE1 3.82Å; L226-F233 HydrophobicContact CB-CG 4.29Å; L226-F233 HydrophobicContact CD1-CD1 4.5Å; L226-F233 HydrophobicContact CD1-CE1 4.07Å; L226-F233 HydrophobicContact CD1-CE2 4.38Å; L226-F233 HydrophobicContact CD1-CZ 4.01Å; A227-F233 HydrophobicContact CB-CD1 4.39Å; I230-F233 HydrophobicContact CB-CB 4.06Å; I230-F233 HydrophobicContact CG2-CB 4.17Å; I230-F233 WeakPolarHBondContact O-CA 3.43Å; I230-F233 WeakPolarHBondContact O-CB 3.46Å; I230-F233 PolarHBondContact O-N 2.98Å; P231-F233 VanDerWaalsContact C-N 3.28Å; P231-F233 PolarHBondContact O-N 3.12Å; F233-K235 PolarHBondContact O-N 3.26Å; F233-K235 VanDerWaalsContact O-N 3.12Å; F233-V236 HydrophobicContact CD2-CB 4.27Å; F233-V236 HydrophobicContact CD2-CG2 3.96Å; F233-V236 HydrophobicContact CE2-CB 4.21Å; F233-V236 HydrophobicContact CE2-CG1 4.37Å; F233-V236 HydrophobicContact CE2-CG2 4.18Å; F233-V236 VanDerWaalsContact O-CB 3.31Å; F233-V236 WeakPolarHBondContact O-CB 3.47Å; F233-V236 PolarHBondContact O-N 2.85Å; F233-I237 HydrophobicContact CD1-CD1 4.47Å; F233-I237 HydrophobicContact CD1-CG1 4.24Å; F233-I237 HydrophobicContact CE1-CD1 3.85Å; F233-I237 HydrophobicContact CE1-CG1 4.12Å; F233-I237 PolarHBondContact O-N 3.16Å
234G91.1Very high88.5Confident1 Ų135.7 Ų35.71%0.0118%0.181CC..Hα-helixtrans-53-30.3169.900000113.4P231 D232 V236 I237 L238P231-G234 PolarHBondContact O-N 3.14Å; D232-G234 PolarHBondContact O-N 3.43Å; G234-V236 VanDerWaalsContact C-N 3.34Å; G234-V236 PolarHBondContact O-N 3.12Å; G234-I237 PolarHBondContact O-N 3.49Å; G234-L238 WeakPolarHBondContact O-CB 3.34Å; G234-L238 VanDerWaalsContact O-CG 3.25Å; G234-L238 WeakPolarHBondContact O-CG 3.45Å; G234-L238 PolarHBondContact O-N 3.18Å
235K92.2Very high87.9Confident112 Ų11239.6 Ų39.649%0.48720%0.202SC..Hα-helixtrans-64.1-38.3174.5-64.3167.5177.91580112L202 D232 F233 L238 K239L202-K235 HydrophobicContact CD1-CB 4.44Å; L202-K235 HydrophobicContact CD2-CB 4.47Å; D232-K235 VanDerWaalsContact O-CB 3.29Å; D232-K235 WeakPolarHBondContact O-CB 3.46Å; D232-K235 WeakPolarHBondContact O-CG 3.23Å; D232-K235 PolarHBondContact O-N 2.94Å; D232-K235 WeakPolarHBondContact OD1-CE 3.39Å; D232-K235 IonicContact OD1-NZ 3.87Å; D232-K235 PolarHBondContact OD1-NZ 3.37Å; F233-K235 PolarHBondContact O-N 3.26Å; F233-K235 VanDerWaalsContact O-N 3.12Å; K235-L238 PolarHBondContact O-N 3.47Å; K235-K239 VanDerWaalsContact O-CB 3.31Å; K235-K239 WeakPolarHBondContact O-CB 3.46Å; K235-K239 PolarHBondContact O-N 3.23Å
236V94.1Very high87.2Confident0 Ų037.9 Ų37.90%019%0.192CC..Hα-helixtrans-64.5-46.1177.1-1730000109.8I198 L201 L202 I205 L215 F233 G234 K239 L240I198-V236 HydrophobicContact CG2-CG2 3.89Å; L201-V236 HydrophobicContact CB-CG1 4.16Å; L201-V236 HydrophobicContact CB-CG2 4.36Å; L202-V236 HydrophobicContact CD2-CB 4.45Å; L202-V236 HydrophobicContact CD2-CG2 4.23Å; L202-V236 HydrophobicContact CG-CG2 4.13Å; I205-V236 HydrophobicContact CD1-CG1 4.09Å; L215-V236 HydrophobicContact CD2-CG1 3.44Å; L215-V236 VanDerWaalsContact CD2-CG1 3.44Å; F233-V236 HydrophobicContact CD2-CB 4.27Å; F233-V236 HydrophobicContact CD2-CG2 3.96Å; F233-V236 HydrophobicContact CE2-CB 4.21Å; F233-V236 HydrophobicContact CE2-CG1 4.37Å; F233-V236 HydrophobicContact CE2-CG2 4.18Å; F233-V236 VanDerWaalsContact O-CB 3.31Å; F233-V236 WeakPolarHBondContact O-CB 3.47Å; F233-V236 PolarHBondContact O-N 2.85Å; G234-V236 VanDerWaalsContact C-N 3.34Å; G234-V236 PolarHBondContact O-N 3.12Å; V236-K239 PolarHBondContact O-N 3.28Å; V236-L240 PolarHBondContact O-N 3.47Å
237I92.5Very high86.2Confident0 Ų038.1 Ų38.10%019%0.193CC..Hα-helixtrans-58.8-53.5175.5-59.9-57000110.4L223 A227 F233 G234 K239 L240 F241 L270 I274 L280 L284L223-I237 HydrophobicContact CB-CD1 4.2Å; L223-I237 HydrophobicContact CD1-CD1 4.49Å; A227-I237 HydrophobicContact CB-CG1 4.48Å; F233-I237 HydrophobicContact CD1-CD1 4.47Å; F233-I237 HydrophobicContact CD1-CG1 4.24Å; F233-I237 HydrophobicContact CE1-CD1 3.85Å; F233-I237 HydrophobicContact CE1-CG1 4.12Å; F233-I237 PolarHBondContact O-N 3.16Å; G234-I237 PolarHBondContact O-N 3.49Å; I237-K239 PolarHBondContact O-N 2.97Å; I237-K239 VanDerWaalsContact O-N 3.15Å; I237-L240 HydrophobicContact CD1-CD1 4.44Å; I237-L240 WeakPolarHBondContact O-CB 3.43Å; I237-L240 PolarHBondContact O-N 3.12Å; I237-F241 HydrophobicContact CG2-CD2 4.22Å; I237-F241 HydrophobicContact CG2-CE2 4.04Å; I237-F241 WeakPolarHBondContact O-CD2 3.47Å; I237-F241 PolarHBondContact O-N 3Å; I237-L270 HydrophobicContact CD1-CD2 4.47Å; I237-I274 HydrophobicContact CB-CD1 4.36Å; I237-I274 HydrophobicContact CD1-CD1 3.84Å; I237-I274 HydrophobicContact CG1-CD1 3.94Å; I237-I274 HydrophobicContact CG2-CD1 3.5Å; I237-I274 VanDerWaalsContact CG2-CD1 3.5Å; I237-I274 HydrophobicContact CG2-CG2 4.39Å; I237-L280 HydrophobicContact CG2-CD1 4.48Å; I237-L284 HydrophobicContact CG2-CD2 4.46Å
238L90.9Very high84.9Confident27 Ų2743.8 Ų43.814%0.14122%0.219CC..Hα-helixtrans-57.2-33179.7-69.8170.2000112.5G234 K235 F241 D242 L280 L283 L284 Q287G234-L238 WeakPolarHBondContact O-CB 3.34Å; G234-L238 VanDerWaalsContact O-CG 3.25Å; G234-L238 WeakPolarHBondContact O-CG 3.45Å; G234-L238 PolarHBondContact O-N 3.18Å; K235-L238 PolarHBondContact O-N 3.47Å; L238-F241 PolarHBondContact O-N 3.16Å; L238-D242 PolarHBondContact O-N 2.82Å; L238-D242 VanDerWaalsContact O-N 3.08Å; L238-L280 HydrophobicContact CD1-CD2 4.14Å; L238-L280 HydrophobicContact CD2-CD2 4.32Å; L238-L280 HydrophobicContact CG-CD2 4.05Å; L238-L283 HydrophobicContact CD1-CB 4.29Å; L238-L283 HydrophobicContact CD1-CD1 3.79Å; L238-L283 HydrophobicContact CD2-CB 3.64Å; L238-L284 HydrophobicContact CD2-CD2 3.79Å; L238-L284 HydrophobicContact CD2-CG 3.87Å; L238-Q287 PolarHBondContact O-NE2 2.91Å; L238-Q287 VanDerWaalsContact O-NE2 3.14Å; L238-Q287 PolarHBondContact O-OE1 2.96Å
239K91.9Very high83.6Confident43 Ų4341.6 Ų41.619%0.18721%0.206CC..Hα-helixtrans-72.3-37.2177.6-172.556.9164.1155.10112.4L202 I205 K235 V236 I237 F241 D242 E243L202-K239 HydrophobicContact CD2-CB 3.7Å; L202-K239 HydrophobicContact CD2-CG 3.98Å; I205-K239 HydrophobicContact CD1-CB 3.81Å; I205-K239 HydrophobicContact CD1-CG 3.66Å; I205-K239 HydrophobicContact CG1-CG 4.07Å; K235-K239 VanDerWaalsContact O-CB 3.31Å; K235-K239 WeakPolarHBondContact O-CB 3.46Å; K235-K239 PolarHBondContact O-N 3.23Å; V236-K239 PolarHBondContact O-N 3.28Å; I237-K239 PolarHBondContact O-N 2.97Å; I237-K239 VanDerWaalsContact O-N 3.15Å; K239-F241 PolarHBondContact O-N 2.9Å; K239-D242 PolarHBondContact O-N 3.44Å; K239-E243 WeakPolarHBondContact CE-OE2 3.42Å; K239-E243 IonicContact NZ-OE2 2.62Å; K239-E243 PolarHBondContact NZ-OE2 2.75Å; K239-E243 WeakPolarHBondContact O-CB 3.39Å; K239-E243 PolarHBondContact O-N 2.94Å
240L89.6Confident81.9Confident0 Ų045.1 Ų45.10%022%0.221CC..Hα-helixtrans-57-35.7170.8-72.1171.5000112.4I205 Y212 L215 V236 I237 L270I205-L240 HydrophobicContact CB-CD2 4.41Å; I205-L240 HydrophobicContact CD1-CD2 4.15Å; I205-L240 HydrophobicContact CD1-CG 4.21Å; I205-L240 HydrophobicContact CG2-CD2 4.21Å; Y212-L240 HydrophobicContact CD2-CD2 3.79Å; Y212-L240 HydrophobicContact CE2-CB 4.47Å; Y212-L240 HydrophobicContact CE2-CD2 3.9Å; Y212-L240 VanDerWaalsContact CE2-O 3.3Å; Y212-L240 WeakPolarHBondContact CE2-O 3.44Å; Y212-L240 HydrophobicContact CG-CD2 4.44Å; Y212-L240 PolarHBondContact OH-O 2.72Å; L215-L240 HydrophobicContact CB-CD2 4.41Å; L215-L240 HydrophobicContact CD2-CD1 3.91Å; L215-L240 HydrophobicContact CD2-CD2 4.16Å; L215-L240 HydrophobicContact CD2-CG 4.22Å; L215-L240 HydrophobicContact CG-CD1 4.01Å; L215-L240 HydrophobicContact CG-CD2 4.48Å; V236-L240 PolarHBondContact O-N 3.47Å; I237-L240 HydrophobicContact CD1-CD1 4.44Å; I237-L240 WeakPolarHBondContact O-CB 3.43Å; I237-L240 PolarHBondContact O-N 3.12Å; L240-L270 HydrophobicContact CD1-CD2 4.06Å
241F87.1Confident79.9Confident0 Ų052.1 Ų52.10%025%0.253CS..Hα-helixtrans-80-23.6176.4-75.4-93.6000113.3I237 L238 K239 L267 L270 F271 L284 I288 L291 W302I237-F241 HydrophobicContact CG2-CD2 4.22Å; I237-F241 HydrophobicContact CG2-CE2 4.04Å; I237-F241 WeakPolarHBondContact O-CD2 3.47Å; I237-F241 PolarHBondContact O-N 3Å; L238-F241 PolarHBondContact O-N 3.16Å; K239-F241 PolarHBondContact O-N 2.9Å; F241-L267 HydrophobicContact CE1-CB 4.36Å; F241-L270 HydrophobicContact CE2-CD2 3.9Å; F241-L270 HydrophobicContact CE2-CG 4.26Å; F241-L270 HydrophobicContact CZ-CD2 4.37Å; F241-L270 HydrophobicContact CZ-CG 4.42Å; F241-F271 HydrophobicContact CE1-CB 4.02Å; F241-F271 HydrophobicContact CE1-CD2 4.1Å; F241-F271 HydrophobicContact CZ-CB 3.87Å; F241-F271 HydrophobicContact CZ-CD2 4.31Å; F241-L284 HydrophobicContact CB-CD2 4.05Å; F241-L284 HydrophobicContact CD1-CD2 4.17Å; F241-L284 HydrophobicContact CD2-CD2 3.35Å; F241-L284 HydrophobicContact CE2-CD2 3.78Å; F241-L284 HydrophobicContact CG-CD2 3.59Å; F241-L284 HydrophobicContact CZ-CD2 4.37Å; F241-I288 HydrophobicContact CD1-CD1 4.2Å; F241-I288 HydrophobicContact CD1-CG1 4.25Å; F241-I288 HydrophobicContact CE1-CD1 4.29Å; F241-L291 WeakPolarHBondContact O-CD1 3.16Å; F241-W302 HydrophobicContact CB-CH2 4.19Å; F241-W302 AromaticContact CD1-CH2 3.92Å; F241-W302 HydrophobicContact CD1-CH2 3.92Å; F241-W302 AromaticContact CD1-CZ3 3.75Å; F241-W302 HydrophobicContact CD1-CZ3 3.75Å; F241-W302 HydrophobicContact CE1-CZ3 4.49Å; F241-W302 HydrophobicContact CG-CH2 4.42Å; F241-W302 WeakPolarHBondContact O-CH2 3.49Å; F241-W302 WeakPolarHBondContact O-CZ2 3.48Å
242D85.8Confident78Confident53 Ų5352.9 Ų52.928%0.28326%0.256SS..Hα-helixtrans-86-25.3179.6-15931.2000112.8L238 K239 T244 R290L238-D242 PolarHBondContact O-N 2.82Å; L238-D242 VanDerWaalsContact O-N 3.08Å; K239-D242 PolarHBondContact O-N 3.44Å; D242-T244 WeakPolarHBondContact O-CG2 3.43Å; D242-T244 PolarHBondContact O-N 3.19Å; D242-R290 IonicContact OD1-CZ 3.75Å; D242-R290 IonicContact OD1-NH1 3.81Å; D242-R290 IonicContact OD1-NH2 2.82Å; D242-R290 PolarHBondContact OD1-NH2 3.03Å
243E82.1Confident75.5Confident12 Ų1252.5 Ų52.56%0.05627%0.271CS..  trans-7896-172.5-155.854.4-107.900111.9Y212 K239 H246Y212-E243 HydrophobicContact CD2-CB 4.23Å; Y212-E243 HydrophobicContact CE2-CB 3.95Å; K239-E243 WeakPolarHBondContact CE-OE2 3.42Å; K239-E243 IonicContact NZ-OE2 2.62Å; K239-E243 PolarHBondContact NZ-OE2 2.75Å; K239-E243 WeakPolarHBondContact O-CB 3.39Å; K239-E243 PolarHBondContact O-N 2.94Å; E243-H246 WeakPolarHBondContact CG-CD2 3.45Å
244T74.8Confident72.9Confident30 Ų3058.7 Ų58.718%0.18431%0.314CS..  trans-91.5-14.8-177.8660000113.7D242 H246 I247 L291 A298 W302D242-T244 WeakPolarHBondContact O-CG2 3.43Å; D242-T244 PolarHBondContact O-N 3.19Å; T244-H246 PolarHBondContact O-N 3.4Å; T244-I247 WeakPolarHBondContact O-CB 3.47Å; T244-I247 PolarHBondContact O-N 3.02Å; T244-L291 HydrophobicContact CG2-CD2 3.83Å; T244-A298 HydrophobicContact CG2-CB 4.24Å; T244-W302 VanDerWaalsContact CG2-NE1 3.32Å
245E76.6Confident70.6Confident143 Ų14366.1 Ų66.167%0.66835%0.349SS*.THydrogen-bonded Turntrans-65.4-30.6-176.6-65.9-169.7173.800112.5I247E245-I247 PolarHBondContact O-N 3.02Å
246H75.4Confident68.3Low23 Ų2369 Ų6911%0.10636%0.364CS..THydrogen-bonded Turntrans-76.4-8.5175.8-60.5-47.8000113.5I205 H209 Y212 E243 T244 Q248I205-H246 PolarHBondContact O-CD2 2.83Å; I205-H246 PolarHBondContact O-NE2 2.78Å; H209-H246 PolarHBondContact CE1-O 3.35Å; H209-H246 WeakPolarHBondContact ND1-CB 3.44Å; H209-H246 AromaticContact ND1-CG 3.71Å; H209-H246 AromaticContact ND1-ND1 3.59Å; Y212-H246 HydrophobicContact CD1-CB 4.02Å; Y212-H246 HydrophobicContact CD2-CB 4.49Å; Y212-H246 AromaticContact CD2-CD2 3.56Å; Y212-H246 HydrophobicContact CE1-CB 4.3Å; Y212-H246 HydrophobicContact CG-CB 4.13Å; Y212-H246 AromaticContact CG-CD2 3.62Å; E243-H246 WeakPolarHBondContact CG-CD2 3.45Å; T244-H246 PolarHBondContact O-N 3.4Å; H246-Q248 PolarHBondContact O-N 2.94Å
247I69.8Low66Low5 Ų576.1 Ų76.13%0.02640%0.4CS..  trans-98.678.2-178.3-51.6175000108.4T244 E245 F249 F301 W302T244-I247 WeakPolarHBondContact O-CB 3.47Å; T244-I247 PolarHBondContact O-N 3.02Å; E245-I247 PolarHBondContact O-N 3.02Å; I247-F249 HydrophobicContact CG2-CD2 4.45Å; I247-F249 HydrophobicContact CG2-CE2 4.02Å; I247-F301 HydrophobicContact CD1-CD1 3.72Å; I247-F301 HydrophobicContact CD1-CE1 3.62Å; I247-F301 HydrophobicContact CD1-CG 4.28Å; I247-F301 HydrophobicContact CD1-CZ 4.06Å; I247-F301 HydrophobicContact CG2-CB 3.97Å; I247-F301 HydrophobicContact CG2-CD1 4.35Å; I247-F301 HydrophobicContact CG2-CD2 3.89Å; I247-F301 HydrophobicContact CG2-CE2 4.39Å; I247-F301 HydrophobicContact CG2-CG 3.85Å; I247-W302 HydrophobicContact CD1-CZ2 3.7Å
248Q62.4Low64.2Low119 Ų11977.9 Ų77.956%0.55641%0.41SS*.  trans-87.4114.4177.6-65.4-170.26.300111.6H246 C260H246-Q248 PolarHBondContact O-N 2.94Å; Q248-C260 PolarHBondContact O-SG 3.47Å; Q248-C260 VanDerWaalsContact O-SG 3.4Å
249F58.7Low62.4Low49 Ų4983.1 Ų83.122%0.21543%0.433CS..  trans-88.9105.2159.9-72.8-87.3000108.9I247 E251 C260 S297 K300 F301I247-F249 HydrophobicContact CG2-CD2 4.45Å; I247-F249 HydrophobicContact CG2-CE2 4.02Å; F249-E251 PolarHBondContact O-N 3.44Å; F249-C260 HydrophobicContact CE1-CB 4.09Å; F249-C260 HydrophobicContact CZ-CB 4.13Å; F249-S297 VanDerWaalsContact CD2-O 3.29Å; F249-S297 WeakPolarHBondContact CD2-O 3.41Å; F249-S297 WeakPolarHBondContact CE2-O 3.48Å; F249-K300 HydrophobicContact CZ-CB 4.43Å; F249-F301 HydrophobicContact CE2-CB 3.57Å; F249-F301 HydrophobicContact CZ-CB 3.7Å
250K52Low61Low156 Ų15681.3 Ų81.368%0.67843%0.426SS*.  trans-81101160.4-75-175.8-179.5175.10107.8T252K250-T252 PolarHBondContact O-N 3.37Å
251E47.5Very low59.8Low156 Ų15684.8 Ų84.873%0.72945%0.448SS*.  trans-72.276.9163.7-73.7-174.1169.200108.4F249 K300F249-E251 PolarHBondContact O-N 3.44Å; E251-K300 IonicContact OE1-NZ 2.69Å; E251-K300 PolarHBondContact OE1-NZ 3.39Å
252T42.8Very low59.2Low103 Ų10388.7 Ų88.763%0.63247%0.473SS*.  trans-104.1127.9165.543.30000108.6K250K250-T252 PolarHBondContact O-N 3.37Å
253G36.1Very low58.8Low71 Ų7186.5 Ų86.573%0.73246%0.461SS*.THydrogen-bonded Turntrans-52.4147.1-17200000114.7E255G253-E255 PolarHBondContact O-N 3.3Å
254S36.5Very low58.5Low130 Ų13088 Ų8891%0.90947%0.469SS*.THydrogen-bonded Turntrans76.4-18.1164.450.50000121.9
255E43.6Very low58.8Low156 Ų15690.6 Ų90.673%0.72948%0.482SS*.  trans-145110.9168.7-72.7-176.116400110.7G253 I257G253-E255 PolarHBondContact O-N 3.3Å; E255-I257 VanDerWaalsContact C-N 3.3Å; E255-I257 PolarHBondContact O-N 2.96Å
256Q45.2Very low59.2Low173 Ų17386 Ų8681%0.80846%0.461SS*.  trans-6983175.7-77.9-177.3-10.500110.3N258Q256-N258 PolarHBondContact O-N 3.11Å
257I45.3Very low59.7Low150 Ų15085 Ų8577%0.76946%0.456SS*.  trans-81.773.9160.8-55.8177.4000106.7E255 Q259E255-I257 VanDerWaalsContact C-N 3.3Å; E255-I257 PolarHBondContact O-N 2.96Å; I257-Q259 PolarHBondContact O-N 3.25Å
258N53.6Low60.3Low37 Ų3785.2 Ų85.220%0.19846%0.458CS..  trans-78.9100.2-178.2-82.2-15.9000109.6Q256 C260 T261Q256-N258 PolarHBondContact O-N 3.11Å; N258-C260 HydrophobicContact CB-CB 4.28Å; N258-C260 PolarHBondContact O-N 3.47Å; N258-T261 PolarHBondContact O-N 2.84Å; N258-T261 PolarHBondContact O-OG1 3.21Å
259Q54.2Low61.4Low136 Ų13683.2 Ų83.264%0.63645%0.451SS*.THydrogen-bonded Turntrans-53.4-17.9159.6-75.2179.3-25.800112.2I257 T261 P262I257-Q259 PolarHBondContact O-N 3.25Å; Q259-T261 VanDerWaalsContact C-N 3.35Å; Q259-T261 PolarHBondContact O-N 3.23Å; Q259-P262 WeakPolarHBondContact O-CD 3.41Å
260C61.1Low62.8Low6 Ų680.9 Ų80.94%0.04144%0.441CS..Hα-helixtrans-66.5-26.4173.4-70.50000114.4Q248 F249 N258 M264Q248-C260 PolarHBondContact O-SG 3.47Å; Q248-C260 VanDerWaalsContact O-SG 3.4Å; F249-C260 HydrophobicContact CE1-CB 4.09Å; F249-C260 HydrophobicContact CZ-CB 4.13Å; N258-C260 HydrophobicContact CB-CB 4.28Å; N258-C260 PolarHBondContact O-N 3.47Å; C260-M264 WeakPolarHBondContact O-CB 3.45Å; C260-M264 PolarHBondContact O-N 3.29Å
261T65.7Low64.4Low73 Ų7373.6 Ų73.645%0.44841%0.409SS..Hα-helixtrans-66.4-49.6-173.6-49.90000112.3N258 Q259 I263 M264 D265N258-T261 PolarHBondContact O-N 2.84Å; N258-T261 PolarHBondContact O-OG1 3.21Å; Q259-T261 VanDerWaalsContact C-N 3.35Å; Q259-T261 PolarHBondContact O-N 3.23Å; T261-I263 PolarHBondContact O-N 2.95Å; T261-M264 WeakPolarHBondContact O-CB 3.25Å; T261-M264 PolarHBondContact O-N 3.18Å; T261-D265 PolarHBondContact O-N 2.94Å
262P74.1Confident66.3Low81 Ų8170 Ų7053%0.52639%0.391SS..Hα-helixtrans-59.3-46.1176.2-24.434.8000112.6Q259 M264 D265 L266Q259-P262 WeakPolarHBondContact O-CD 3.41Å; P262-M264 VanDerWaalsContact C-N 3.3Å; P262-M264 PolarHBondContact O-N 2.86Å; P262-D265 PolarHBondContact O-N 3.34Å; P262-L266 WeakPolarHBondContact O-CB 3.39Å; P262-L266 WeakPolarHBondContact O-CG 3.47Å; P262-L266 PolarHBondContact O-N 3.36Å
263I77.7Confident68.4Low8 Ų870.5 Ų70.54%0.04138%0.381CS..Hα-helixtrans-63.6-38.5179.9-66.5174000111.1Y212 I213 T261 L266 L267 F301Y212-I263 HydrophobicContact CE1-CD1 4.42Å; Y212-I263 HydrophobicContact CE1-CG2 3.85Å; I213-I263 HydrophobicContact CD1-CD1 4.37Å; I213-I263 HydrophobicContact CG1-CD1 4.14Å; I213-I263 HydrophobicContact CG1-CG1 4.41Å; T261-I263 PolarHBondContact O-N 2.95Å; I263-L266 PolarHBondContact O-N 3Å; I263-L267 HydrophobicContact CG2-CD1 4.14Å; I263-L267 HydrophobicContact CG2-CG 4.29Å; I263-L267 WeakPolarHBondContact O-CG 3.44Å; I263-L267 PolarHBondContact O-N 3.3Å; I263-F301 HydrophobicContact CG2-CE2 4.3Å; I263-F301 HydrophobicContact CG2-CZ 4.2Å
264M76.5Confident70.7Confident43 Ų4367.1 Ų67.121%0.21235%0.346CS..Hα-helixtrans-60.9-48.2176.9-173.6173.6155.300111C260 T261 P262 L266 L267 I268 F301 V305C260-M264 WeakPolarHBondContact O-CB 3.45Å; C260-M264 PolarHBondContact O-N 3.29Å; T261-M264 WeakPolarHBondContact O-CB 3.25Å; T261-M264 PolarHBondContact O-N 3.18Å; P262-M264 VanDerWaalsContact C-N 3.3Å; P262-M264 PolarHBondContact O-N 2.86Å; M264-L266 VanDerWaalsContact C-N 3.32Å; M264-L266 PolarHBondContact O-N 2.86Å; M264-L267 PolarHBondContact O-N 3.37Å; M264-I268 HydrophobicContact CE-CD1 3.62Å; M264-I268 HydrophobicContact CG-CD1 3.69Å; M264-I268 HydrophobicContact CG-CG1 4.46Å; M264-I268 WeakPolarHBondContact O-CB 3.37Å; M264-I268 WeakPolarHBondContact O-CG1 3.37Å; M264-I268 PolarHBondContact O-N 2.87Å; M264-F301 HydrophobicContact CB-CD2 3.97Å; M264-F301 HydrophobicContact CB-CE2 3.4Å; M264-F301 VanDerWaalsContact CB-CE2 3.4Å; M264-F301 HydrophobicContact CB-CZ 4.17Å; M264-F301 HydrophobicContact CG-CD2 4.22Å; M264-F301 HydrophobicContact CG-CE2 3.91Å; M264-F301 HydrophobicContact CG-CZ 4.47Å; M264-V305 HydrophobicContact CG-CG2 4.36Å
265D81Confident73Confident85 Ų8563.1 Ų63.146%0.45531%0.312SS..Hα-helixtrans-62.9-40.8178.1-70.5-27.2000111.5T261 P262 N269T261-D265 PolarHBondContact O-N 2.94Å; P262-D265 PolarHBondContact O-N 3.34Å; D265-N269 VanDerWaalsContact O-CB 3.29Å; D265-N269 WeakPolarHBondContact O-CB 3.45Å; D265-N269 PolarHBondContact O-N 3.37Å; D265-N269 PolarHBondContact O-ND2 3.43Å
266L84Confident74.8Confident47 Ų4763.3 Ų63.325%0.24631%0.31CS..Hα-helixtrans-60.8-51.7176.2-71.2176.9000111.9P262 I263 M264 I268 N269 L270P262-L266 WeakPolarHBondContact O-CB 3.39Å; P262-L266 WeakPolarHBondContact O-CG 3.47Å; P262-L266 PolarHBondContact O-N 3.36Å; I263-L266 PolarHBondContact O-N 3Å; M264-L266 VanDerWaalsContact C-N 3.32Å; M264-L266 PolarHBondContact O-N 2.86Å; L266-I268 PolarHBondContact O-N 2.86Å; L266-N269 PolarHBondContact O-N 3.29Å; L266-L270 WeakPolarHBondContact O-CB 3.48Å; L266-L270 PolarHBondContact O-N 3.49Å
267L85.1Confident76.7Confident0 Ų055.3 Ų55.30%027%0.273CS..Hα-helixtrans-68.2-35.1-179.5-67-176.2000112.7Y212 A216 F241 I263 M264 L270 F271 F301 W302Y212-L267 WeakPolarHBondContact OH-CD1 3.3Å; A216-L267 HydrophobicContact CB-CD2 4.29Å; F241-L267 HydrophobicContact CE1-CB 4.36Å; I263-L267 HydrophobicContact CG2-CD1 4.14Å; I263-L267 HydrophobicContact CG2-CG 4.29Å; I263-L267 WeakPolarHBondContact O-CG 3.44Å; I263-L267 PolarHBondContact O-N 3.3Å; M264-L267 PolarHBondContact O-N 3.37Å; L267-L270 PolarHBondContact O-N 3.32Å; L267-F271 VanDerWaalsContact O-CB 3.31Å; L267-F271 WeakPolarHBondContact O-CB 3.25Å; L267-F271 PolarHBondContact O-N 2.94Å; L267-F301 HydrophobicContact CD1-CE1 3.81Å; L267-F301 HydrophobicContact CD1-CZ 3.58Å; L267-F301 HydrophobicContact CG-CZ 4.44Å; L267-W302 HydrophobicContact CD1-CH2 3.78Å; L267-W302 HydrophobicContact CD1-CZ2 4.46Å; L267-W302 HydrophobicContact CD1-CZ3 4.47Å
268I84.3Confident78.7Confident11 Ų1155.2 Ų55.26%0.05627%0.274CS..Hα-helixtrans-63.9-44.4173.6-73.8169000110.5M264 L266 F271 K272 V305 T308M264-I268 HydrophobicContact CE-CD1 3.62Å; M264-I268 HydrophobicContact CG-CD1 3.69Å; M264-I268 HydrophobicContact CG-CG1 4.46Å; M264-I268 WeakPolarHBondContact O-CB 3.37Å; M264-I268 WeakPolarHBondContact O-CG1 3.37Å; M264-I268 PolarHBondContact O-N 2.87Å; L266-I268 PolarHBondContact O-N 2.86Å; I268-F271 PolarHBondContact O-N 3.43Å; I268-K272 HydrophobicContact CG2-CD 4.18Å; I268-K272 WeakPolarHBondContact O-CB 3.42Å; I268-K272 WeakPolarHBondContact O-CG 3.24Å; I268-K272 PolarHBondContact O-N 2.96Å; I268-V305 HydrophobicContact CG1-CG1 4.38Å; I268-V305 HydrophobicContact CG1-CG2 4.17Å; I268-T308 HydrophobicContact CD1-CG2 4.13Å; I268-T308 HydrophobicContact CG1-CG2 4.42Å; I268-T308 HydrophobicContact CG2-CG2 3.71Å
269N85.3Confident80.3Confident76 Ų7657.2 Ų57.241%0.40628%0.282SS..Hα-helixtrans-65.7-40.7178-73.9-29.4000111.7D265 L266 K272 R273D265-N269 VanDerWaalsContact O-CB 3.29Å; D265-N269 WeakPolarHBondContact O-CB 3.45Å; D265-N269 PolarHBondContact O-N 3.37Å; D265-N269 PolarHBondContact O-ND2 3.43Å; L266-N269 PolarHBondContact O-N 3.29Å; N269-K272 PolarHBondContact O-N 2.97Å; N269-R273 PolarHBondContact O-N 3.02Å
270L86.6Confident81.9Confident1 Ų150.9 Ų50.91%0.00525%0.253CS..Hα-helixtrans-61.5-48.1173.4-17660.4000111.4P220 L223 I237 L240 F241 L266 L267 K272 R273 I274P220-L270 HydrophobicContact CB-CD1 3.94Å; L223-L270 HydrophobicContact CB-CD1 3.94Å; L223-L270 HydrophobicContact CD1-CD1 3.73Å; L223-L270 HydrophobicContact CD1-CD2 4.44Å; L223-L270 HydrophobicContact CG-CD1 4.48Å; I237-L270 HydrophobicContact CD1-CD2 4.47Å; L240-L270 HydrophobicContact CD1-CD2 4.06Å; F241-L270 HydrophobicContact CE2-CD2 3.9Å; F241-L270 HydrophobicContact CE2-CG 4.26Å; F241-L270 HydrophobicContact CZ-CD2 4.37Å; F241-L270 HydrophobicContact CZ-CG 4.42Å; L266-L270 WeakPolarHBondContact O-CB 3.48Å; L266-L270 PolarHBondContact O-N 3.49Å; L267-L270 PolarHBondContact O-N 3.32Å; L270-K272 VanDerWaalsContact C-N 3.34Å; L270-K272 PolarHBondContact O-N 3.3Å; L270-R273 PolarHBondContact O-N 3.36Å; L270-R273 VanDerWaalsContact O-N 3.1Å; L270-I274 HydrophobicContact CD1-CD1 3.43Å; L270-I274 VanDerWaalsContact CD1-CD1 3.43Å; L270-I274 HydrophobicContact CD1-CG1 4.08Å; L270-I274 HydrophobicContact CD2-CD1 4.46Å; L270-I274 HydrophobicContact CG-CD1 3.77Å; L270-I274 HydrophobicContact CG-CG1 4.47Å; L270-I274 WeakPolarHBondContact O-CG1 3.25Å; L270-I274 PolarHBondContact O-N 2.81Å
271F87.2Confident83.1Confident2 Ų252.2 Ų52.21%0.00926%0.259CS..Hα-helixtrans-57.8-46.8177.8-176.7-83.3000111.4F241 L267 I268 R273 I274 Y275 L284 L285 I288 V309F241-F271 HydrophobicContact CE1-CB 4.02Å; F241-F271 HydrophobicContact CE1-CD2 4.1Å; F241-F271 HydrophobicContact CZ-CB 3.87Å; F241-F271 HydrophobicContact CZ-CD2 4.31Å; L267-F271 VanDerWaalsContact O-CB 3.31Å; L267-F271 WeakPolarHBondContact O-CB 3.25Å; L267-F271 PolarHBondContact O-N 2.94Å; I268-F271 PolarHBondContact O-N 3.43Å; F271-R273 PolarHBondContact O-N 3.45Å; F271-R273 VanDerWaalsContact O-N 3.12Å; F271-I274 PolarHBondContact O-N 3Å; F271-I274 VanDerWaalsContact O-N 3.1Å; F271-Y275 AromaticContact CE1-CD2 3.58Å; F271-Y275 HydrophobicContact CE1-CD2 3.58Å; F271-Y275 HydrophobicContact CE1-CE2 4.48Å; F271-Y275 AromaticContact CE1-CG 3.98Å; F271-Y275 HydrophobicContact CE1-CG 3.98Å; F271-Y275 AromaticContact CZ-CD2 3.54Å; F271-Y275 HydrophobicContact CZ-CD2 3.54Å; F271-Y275 HydrophobicContact CZ-CE2 4.33Å; F271-Y275 HydrophobicContact CZ-CG 4.32Å; F271-Y275 VanDerWaalsContact O-CB 3.32Å; F271-Y275 WeakPolarHBondContact O-CB 3.3Å; F271-Y275 PolarHBondContact O-N 2.96Å; F271-L284 HydrophobicContact CD2-CB 4.37Å; F271-L284 HydrophobicContact CD2-CD1 4.42Å; F271-L284 HydrophobicContact CE2-CB 3.92Å; F271-L285 HydrophobicContact CE2-CD2 4.45Å; F271-L285 HydrophobicContact CZ-CD2 3.88Å; F271-L285 HydrophobicContact CZ-CG 4.47Å; F271-I288 HydrophobicContact CD2-CD1 3.47Å; F271-I288 VanDerWaalsContact CD2-CD1 3.47Å; F271-I288 HydrophobicContact CE2-CD1 3.42Å; F271-I288 VanDerWaalsContact CE2-CD1 3.42Å; F271-I288 HydrophobicContact CG-CD1 4.42Å; F271-I288 HydrophobicContact CZ-CD1 4.36Å; F271-V309 HydrophobicContact CD1-CB 4.33Å; F271-V309 HydrophobicContact CD1-CG1 4.22Å; F271-V309 HydrophobicContact CD1-CG2 3.33Å; F271-V309 HydrophobicContact CD2-CG2 4.18Å; F271-V309 HydrophobicContact CE1-CB 3.88Å; F271-V309 HydrophobicContact CE1-CG1 3.31Å; F271-V309 HydrophobicContact CE1-CG2 3.34Å; F271-V309 HydrophobicContact CE2-CG1 4.28Å; F271-V309 HydrophobicContact CE2-CG2 4.16Å; F271-V309 HydrophobicContact CG-CG2 3.77Å; F271-V309 HydrophobicContact CZ-CB 4.19Å; F271-V309 HydrophobicContact CZ-CG1 3.34Å; F271-V309 HydrophobicContact CZ-CG2 3.76Å
272K86.2Confident84.2Confident81 Ų8152.5 Ų52.535%0.35226%0.263SS..Hα-helixtrans-53.8-33.2177.7-80.9170.3-179.8175.80113I268 N269 L270 L312I268-K272 HydrophobicContact CG2-CD 4.18Å; I268-K272 WeakPolarHBondContact O-CB 3.42Å; I268-K272 WeakPolarHBondContact O-CG 3.24Å; I268-K272 PolarHBondContact O-N 2.96Å; N269-K272 PolarHBondContact O-N 2.97Å; L270-K272 VanDerWaalsContact C-N 3.34Å; L270-K272 PolarHBondContact O-N 3.3Å; K272-L312 HydrophobicContact CD-CD1 4.22Å; K272-L312 HydrophobicContact CG-CD1 3.44Å; K272-L312 VanDerWaalsContact CG-CD1 3.44Å
273R87.1Confident84.9Confident113 Ų11352.8 Ų52.843%0.42626%0.259SS..Hα-helixtrans-83.5-37.7177.5-63.9-52-165.2179.19.9112.8P220 D221 R224 N269 L270 F271P220-R273 HydrophobicContact CB-CB 4.33Å; P220-R273 HydrophobicContact CB-CG 3.92Å; P220-R273 HydrophobicContact CG-CG 4.19Å; D221-R273 WeakPolarHBondContact OD1-CD 3.33Å; D221-R273 IonicContact OD1-CZ 3.3Å; D221-R273 VanDerWaalsContact OD1-CZ 3.3Å; D221-R273 IonicContact OD1-NE 2.7Å; D221-R273 PolarHBondContact OD1-NE 3.36Å; D221-R273 IonicContact OD1-NH1 3.9Å; D221-R273 IonicContact OD1-NH2 3.69Å; D221-R273 IonicContact OD2-CZ 3.62Å; D221-R273 IonicContact OD2-NE 3.15Å; D221-R273 PolarHBondContact OD2-NE 3.36Å; D221-R273 IonicContact OD2-NH2 3.26Å; D221-R273 PolarHBondContact OD2-NH2 3.36Å; R224-R273 HydrophobicContact CB-CB 4.29Å; R224-R273 WeakPolarHBondContact CD-O 3.35Å; R224-R273 WeakPolarHBondContact CG-O 3.25Å; N269-R273 PolarHBondContact O-N 3.02Å; L270-R273 PolarHBondContact O-N 3.36Å; L270-R273 VanDerWaalsContact O-N 3.1Å; F271-R273 PolarHBondContact O-N 3.45Å; F271-R273 VanDerWaalsContact O-N 3.12Å
274I85.5Confident85.4Confident0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-86.5-17.9-174.5-62.1-176.2000112.9R224 I237 L270 F271 F276 V277 L280 L284R224-I274 HydrophobicContact CB-CG1 4.05Å; I237-I274 HydrophobicContact CB-CD1 4.36Å; I237-I274 HydrophobicContact CD1-CD1 3.84Å; I237-I274 HydrophobicContact CG1-CD1 3.94Å; I237-I274 HydrophobicContact CG2-CD1 3.5Å; I237-I274 VanDerWaalsContact CG2-CD1 3.5Å; I237-I274 HydrophobicContact CG2-CG2 4.39Å; L270-I274 HydrophobicContact CD1-CD1 3.43Å; L270-I274 VanDerWaalsContact CD1-CD1 3.43Å; L270-I274 HydrophobicContact CD1-CG1 4.08Å; L270-I274 HydrophobicContact CD2-CD1 4.46Å; L270-I274 HydrophobicContact CG-CD1 3.77Å; L270-I274 HydrophobicContact CG-CG1 4.47Å; L270-I274 WeakPolarHBondContact O-CG1 3.25Å; L270-I274 PolarHBondContact O-N 2.81Å; F271-I274 PolarHBondContact O-N 3Å; F271-I274 VanDerWaalsContact O-N 3.1Å; I274-F276 PolarHBondContact O-N 2.94Å; I274-V277 HydrophobicContact CG2-CB 4.3Å; I274-V277 HydrophobicContact CG2-CG2 4.24Å; I274-V277 VanDerWaalsContact O-CB 3.28Å; I274-V277 WeakPolarHBondContact O-CB 3.44Å; I274-V277 WeakPolarHBondContact O-CG2 3.09Å; I274-V277 PolarHBondContact O-N 2.93Å; I274-L280 HydrophobicContact CG2-CB 3.91Å; I274-L280 HydrophobicContact CG2-CD1 3.44Å; I274-L280 VanDerWaalsContact CG2-CD1 3.44Å; I274-L280 HydrophobicContact CG2-CG 4.32Å; I274-L284 HydrophobicContact CB-CD1 4.32Å; I274-L284 HydrophobicContact CG2-CD1 3.59Å
275Y83.1Confident85.9Confident47 Ų4751.7 Ų51.718%0.18425%0.254CS..THydrogen-bonded Turntrans-52.7-30.6178.8177.6-104.8000114F271 V277 N281 L285F271-Y275 AromaticContact CE1-CD2 3.58Å; F271-Y275 HydrophobicContact CE1-CD2 3.58Å; F271-Y275 HydrophobicContact CE1-CE2 4.48Å; F271-Y275 AromaticContact CE1-CG 3.98Å; F271-Y275 HydrophobicContact CE1-CG 3.98Å; F271-Y275 AromaticContact CZ-CD2 3.54Å; F271-Y275 HydrophobicContact CZ-CD2 3.54Å; F271-Y275 HydrophobicContact CZ-CE2 4.33Å; F271-Y275 HydrophobicContact CZ-CG 4.32Å; F271-Y275 VanDerWaalsContact O-CB 3.32Å; F271-Y275 WeakPolarHBondContact O-CB 3.3Å; F271-Y275 PolarHBondContact O-N 2.96Å; Y275-V277 VanDerWaalsContact C-N 3.3Å; Y275-N281 VanDerWaalsContact CD2-OD1 3.32Å; Y275-N281 WeakPolarHBondContact CD2-OD1 3.14Å; Y275-N281 WeakPolarHBondContact CE2-ND2 3.44Å; Y275-N281 WeakPolarHBondContact CE2-OD1 3.14Å; Y275-N281 VanDerWaalsContact O-CB 3.29Å; Y275-N281 WeakPolarHBondContact O-CB 3.39Å; Y275-N281 VanDerWaalsContact O-CG 3.25Å; Y275-N281 PolarHBondContact O-ND2 3.29Å; Y275-N281 VanDerWaalsContact O-ND2 3.08Å; Y275-L285 HydrophobicContact CE2-CD1 4.26Å
276F82.5Confident86.3Confident160 Ų16051.4 Ų51.470%0.70226%0.259SS*.THydrogen-bonded Turntrans-86.63.8178.5-59.4-73.8000114I274 D278I274-F276 PolarHBondContact O-N 2.94Å; F276-D278 PolarHBondContact O-N 3.03Å
277V85.3Confident86.5Confident5 Ų550.6 Ų50.63%0.0325%0.254CS..  trans-87.3104.8174-177.70000108.4R224 I228 I274 Y275 H279 L280 N281R224-V277 HydrophobicContact CG-CG2 3.71Å; I228-V277 HydrophobicContact CD1-CG2 4.11Å; I228-V277 HydrophobicContact CG1-CG1 4.14Å; I228-V277 HydrophobicContact CG1-CG2 3.78Å; I274-V277 HydrophobicContact CG2-CB 4.3Å; I274-V277 HydrophobicContact CG2-CG2 4.24Å; I274-V277 VanDerWaalsContact O-CB 3.28Å; I274-V277 WeakPolarHBondContact O-CB 3.44Å; I274-V277 WeakPolarHBondContact O-CG2 3.09Å; I274-V277 PolarHBondContact O-N 2.93Å; Y275-V277 VanDerWaalsContact C-N 3.3Å; V277-H279 VanDerWaalsContact C-N 3.28Å; V277-H279 WeakPolarHBondContact CG1-CE1 3.49Å; V277-H279 WeakPolarHBondContact CG1-ND1 3.25Å; V277-H279 PolarHBondContact O-N 3.48Å; V277-H279 VanDerWaalsContact O-N 3.1Å; V277-L280 HydrophobicContact CB-CB 4.29Å; V277-L280 HydrophobicContact CB-CD1 4.43Å; V277-L280 HydrophobicContact CG1-CB 4.27Å; V277-L280 HydrophobicContact CG1-CD1 4.09Å; V277-L280 HydrophobicContact CG1-CG 4.09Å; V277-L280 PolarHBondContact O-N 3.25Å; V277-N281 PolarHBondContact O-N 3.12Å
278D85.9Confident86.5Confident148 Ų14850.7 Ų50.779%0.79126%0.255SS*.THydrogen-bonded Turntrans-50-41.5-167.7-70.2-21.6000114.6F276 P282F276-D278 PolarHBondContact O-N 3.03Å; D278-P282 WeakPolarHBondContact O-CD 3.38Å
279H87.9Confident86.7Confident79 Ų7953.3 Ų53.337%0.36627%0.269SS..THydrogen-bonded Turntrans-79.1-20.6-177.869-88.5000113.7A227 V277 L283A227-H279 PolarHBondContact O-CE1 3.14Å; A227-H279 VanDerWaalsContact O-CE1 3.24Å; V277-H279 VanDerWaalsContact C-N 3.28Å; V277-H279 WeakPolarHBondContact CG1-CE1 3.49Å; V277-H279 WeakPolarHBondContact CG1-ND1 3.25Å; V277-H279 PolarHBondContact O-N 3.48Å; V277-H279 VanDerWaalsContact O-N 3.1Å; H279-L283 WeakPolarHBondContact O-CD1 3.38Å
280L87.6Confident86.9Confident2 Ų255.1 Ų55.11%0.0127%0.27CS..THydrogen-bonded Turntrans-94.4-34.3-179.1-69.9-178.3000113.1A227 I237 L238 I274 V277 L283 L284A227-L280 HydrophobicContact CB-CD1 3.72Å; I237-L280 HydrophobicContact CG2-CD1 4.48Å; L238-L280 HydrophobicContact CD1-CD2 4.14Å; L238-L280 HydrophobicContact CD2-CD2 4.32Å; L238-L280 HydrophobicContact CG-CD2 4.05Å; I274-L280 HydrophobicContact CG2-CB 3.91Å; I274-L280 HydrophobicContact CG2-CD1 3.44Å; I274-L280 VanDerWaalsContact CG2-CD1 3.44Å; I274-L280 HydrophobicContact CG2-CG 4.32Å; V277-L280 HydrophobicContact CB-CB 4.29Å; V277-L280 HydrophobicContact CB-CD1 4.43Å; V277-L280 HydrophobicContact CG1-CB 4.27Å; V277-L280 HydrophobicContact CG1-CD1 4.09Å; V277-L280 HydrophobicContact CG1-CG 4.09Å; V277-L280 PolarHBondContact O-N 3.25Å; L280-L283 PolarHBondContact O-N 3.48Å; L280-L283 VanDerWaalsContact O-N 3.09Å; L280-L284 HydrophobicContact CB-CD1 4.07Å; L280-L284 WeakPolarHBondContact O-CB 3.5Å; L280-L284 WeakPolarHBondContact O-CG 3.4Å; L280-L284 PolarHBondContact O-N 3.46Å
281N85.9Confident86.9Confident34 Ų3455.1 Ų55.118%0.18227%0.27CS..Hα-helixtrans-49.4-55.7-177.3-173.6-2.1000114Y275 V277 L283 L284 L285Y275-N281 VanDerWaalsContact CD2-OD1 3.32Å; Y275-N281 WeakPolarHBondContact CD2-OD1 3.14Å; Y275-N281 WeakPolarHBondContact CE2-ND2 3.44Å; Y275-N281 WeakPolarHBondContact CE2-OD1 3.14Å; Y275-N281 VanDerWaalsContact O-CB 3.29Å; Y275-N281 WeakPolarHBondContact O-CB 3.39Å; Y275-N281 VanDerWaalsContact O-CG 3.25Å; Y275-N281 PolarHBondContact O-ND2 3.29Å; Y275-N281 VanDerWaalsContact O-ND2 3.08Å; V277-N281 PolarHBondContact O-N 3.12Å; N281-L283 VanDerWaalsContact C-N 3.25Å; N281-L283 PolarHBondContact O-N 3.03Å; N281-L284 PolarHBondContact O-N 2.69Å; N281-L285 WeakPolarHBondContact O-CB 3.13Å; N281-L285 WeakPolarHBondContact O-CG 3.3Å; N281-L285 PolarHBondContact O-N 2.67Å; N281-L285 WeakPolarHBondContact OD1-CD1 3.31Å; N281-L285 WeakPolarHBondContact OD1-CG 3.38Å
282P88.6Confident86.9Confident80 Ų8055.5 Ų55.552%0.51927%0.273SS..Hα-helixtrans-63.3-33-179.125.3-34.5000112.6D278 S286D278-P282 WeakPolarHBondContact O-CD 3.38Å; P282-S286 VanDerWaalsContact O-CB 3.24Å; P282-S286 WeakPolarHBondContact O-CB 3.46Å; P282-S286 PolarHBondContact O-N 2.96Å; P282-S286 VanDerWaalsContact O-N 3.08Å
283L90.3Very high86.9Confident86 Ų8659.5 Ų59.545%0.4529%0.29SS..Hα-helixtrans-71.7-48-180-60.7177.6000111.2L238 H279 L280 N281 S286 Q287L238-L283 HydrophobicContact CD1-CB 4.29Å; L238-L283 HydrophobicContact CD1-CD1 3.79Å; L238-L283 HydrophobicContact CD2-CB 3.64Å; H279-L283 WeakPolarHBondContact O-CD1 3.38Å; L280-L283 PolarHBondContact O-N 3.48Å; L280-L283 VanDerWaalsContact O-N 3.09Å; N281-L283 VanDerWaalsContact C-N 3.25Å; N281-L283 PolarHBondContact O-N 3.03Å; L283-S286 WeakPolarHBondContact O-CB 3.25Å; L283-S286 PolarHBondContact O-N 3.14Å; L283-Q287 WeakPolarHBondContact O-CG 3.28Å; L283-Q287 PolarHBondContact O-N 2.79Å
284L87.1Confident86.8Confident0 Ų057 Ų570%028%0.284CS..Hα-helixtrans-63.3-44.9177.8-74.2170.1000111.7I237 L238 F241 F271 I274 L280 N281 S286 Q287 I288I237-L284 HydrophobicContact CG2-CD2 4.46Å; L238-L284 HydrophobicContact CD2-CD2 3.79Å; L238-L284 HydrophobicContact CD2-CG 3.87Å; F241-L284 HydrophobicContact CB-CD2 4.05Å; F241-L284 HydrophobicContact CD1-CD2 4.17Å; F241-L284 HydrophobicContact CD2-CD2 3.35Å; F241-L284 HydrophobicContact CE2-CD2 3.78Å; F241-L284 HydrophobicContact CG-CD2 3.59Å; F241-L284 HydrophobicContact CZ-CD2 4.37Å; F271-L284 HydrophobicContact CD2-CB 4.37Å; F271-L284 HydrophobicContact CD2-CD1 4.42Å; F271-L284 HydrophobicContact CE2-CB 3.92Å; I274-L284 HydrophobicContact CB-CD1 4.32Å; I274-L284 HydrophobicContact CG2-CD1 3.59Å; L280-L284 HydrophobicContact CB-CD1 4.07Å; L280-L284 WeakPolarHBondContact O-CB 3.5Å; L280-L284 WeakPolarHBondContact O-CG 3.4Å; L280-L284 PolarHBondContact O-N 3.46Å; N281-L284 PolarHBondContact O-N 2.69Å; L284-S286 VanDerWaalsContact C-N 3.32Å; L284-S286 PolarHBondContact O-N 3.46Å; L284-Q287 PolarHBondContact O-N 3.29Å; L284-I288 WeakPolarHBondContact O-CB 3.44Å; L284-I288 WeakPolarHBondContact O-CG1 3.3Å; L284-I288 PolarHBondContact O-N 2.75Å
285L87.1Confident86.6Confident28 Ų2867.3 Ų67.315%0.14733%0.329CS..Hα-helixtrans-61.1-41.8175.6-75.2179.1000111.7F271 Y275 N281 N289 V309F271-L285 HydrophobicContact CE2-CD2 4.45Å; F271-L285 HydrophobicContact CZ-CD2 3.88Å; F271-L285 HydrophobicContact CZ-CG 4.47Å; Y275-L285 HydrophobicContact CE2-CD1 4.26Å; N281-L285 WeakPolarHBondContact O-CB 3.13Å; N281-L285 WeakPolarHBondContact O-CG 3.3Å; N281-L285 PolarHBondContact O-N 2.67Å; N281-L285 WeakPolarHBondContact OD1-CD1 3.31Å; N281-L285 WeakPolarHBondContact OD1-CG 3.38Å; L285-N289 VanDerWaalsContact O-CB 3.26Å; L285-N289 WeakPolarHBondContact O-CB 3.5Å; L285-N289 PolarHBondContact O-N 3.36Å; L285-N289 PolarHBondContact O-ND2 3.32Å; L285-V309 HydrophobicContact CD2-CG1 3.69Å
286S89.2Confident86.4Confident80 Ų8068.4 Ų68.456%0.55934%0.338SS*.Hα-helixtrans-62.3-44.9175.9-176.90000111.6P282 L283 L284 N289 R290P282-S286 VanDerWaalsContact O-CB 3.24Å; P282-S286 WeakPolarHBondContact O-CB 3.46Å; P282-S286 PolarHBondContact O-N 2.96Å; P282-S286 VanDerWaalsContact O-N 3.08Å; L283-S286 WeakPolarHBondContact O-CB 3.25Å; L283-S286 PolarHBondContact O-N 3.14Å; L284-S286 VanDerWaalsContact C-N 3.32Å; L284-S286 PolarHBondContact O-N 3.46Å; S286-N289 PolarHBondContact O-N 2.81Å; S286-R290 WeakPolarHBondContact O-CB 3.49Å; S286-R290 PolarHBondContact O-N 3.19Å
287Q88.1Confident86Confident30 Ų3064.1 Ų64.114%0.1433%0.328CS..Hα-helixtrans-62.1-53.7176.8-75.6179.4-3600112L238 L283 L284 N289 R290 L291L238-Q287 PolarHBondContact O-NE2 2.91Å; L238-Q287 VanDerWaalsContact O-NE2 3.14Å; L238-Q287 PolarHBondContact O-OE1 2.96Å; L283-Q287 WeakPolarHBondContact O-CG 3.28Å; L283-Q287 PolarHBondContact O-N 2.79Å; L284-Q287 PolarHBondContact O-N 3.29Å; Q287-N289 VanDerWaalsContact C-N 3.27Å; Q287-N289 PolarHBondContact O-N 3.17Å; Q287-R290 WeakPolarHBondContact O-CB 3.4Å; Q287-R290 PolarHBondContact O-N 3.4Å; Q287-L291 WeakPolarHBondContact O-CB 3.32Å; Q287-L291 VanDerWaalsContact O-CG 3.23Å; Q287-L291 WeakPolarHBondContact O-CG 3.43Å; Q287-L291 PolarHBondContact O-N 3.16Å
288I86.2Confident85.7Confident2 Ų264 Ų641%0.0133%0.327CS..Hα-helixtrans-56.8-43.7-180-69.7168.1000110.5F241 F271 L284 R290 L291 S292 W302 V305 A306 V309F241-I288 HydrophobicContact CD1-CD1 4.2Å; F241-I288 HydrophobicContact CD1-CG1 4.25Å; F241-I288 HydrophobicContact CE1-CD1 4.29Å; F271-I288 HydrophobicContact CD2-CD1 3.47Å; F271-I288 VanDerWaalsContact CD2-CD1 3.47Å; F271-I288 HydrophobicContact CE2-CD1 3.42Å; F271-I288 VanDerWaalsContact CE2-CD1 3.42Å; F271-I288 HydrophobicContact CG-CD1 4.42Å; F271-I288 HydrophobicContact CZ-CD1 4.36Å; L284-I288 WeakPolarHBondContact O-CB 3.44Å; L284-I288 WeakPolarHBondContact O-CG1 3.3Å; L284-I288 PolarHBondContact O-N 2.75Å; I288-R290 VanDerWaalsContact C-N 3.34Å; I288-R290 PolarHBondContact O-N 3.3Å; I288-L291 PolarHBondContact O-N 3.42Å; I288-S292 VanDerWaalsContact O-CB 3.23Å; I288-S292 WeakPolarHBondContact O-CB 3.44Å; I288-S292 PolarHBondContact O-N 3.12Å; I288-S292 PolarHBondContact O-OG 3.31Å; I288-W302 HydrophobicContact CG1-CE3 4.22Å; I288-W302 HydrophobicContact CG1-CZ3 4.21Å; I288-V305 HydrophobicContact CD1-CG1 4.1Å; I288-V305 HydrophobicContact CG2-CG1 4.48Å; I288-A306 HydrophobicContact CG2-CB 3.64Å; I288-V309 HydrophobicContact CD1-CG2 4.37Å
289N87.4Confident85.5Confident65 Ų6557.3 Ų57.335%0.34829%0.293SS..Hα-helixtrans-66-32.9177.3-77.5-40.7000113.8L285 S286 Q287 S292 K293L285-N289 VanDerWaalsContact O-CB 3.26Å; L285-N289 WeakPolarHBondContact O-CB 3.5Å; L285-N289 PolarHBondContact O-N 3.36Å; L285-N289 PolarHBondContact O-ND2 3.32Å; S286-N289 PolarHBondContact O-N 2.81Å; Q287-N289 VanDerWaalsContact C-N 3.27Å; Q287-N289 PolarHBondContact O-N 3.17Å; N289-S292 PolarHBondContact O-OG 3.08Å; N289-K293 WeakPolarHBondContact O-CD 3.24Å; N289-K293 VanDerWaalsContact O-CG 3.28Å; N289-K293 WeakPolarHBondContact O-CG 3.42Å
290R90.3Very high85.2Confident115 Ų11559.3 Ų59.343%0.43430%0.3SS..Hα-helixtrans-71.4-45.8174.8179-178.358.7887.6110.6D242 S286 Q287 I288 K293D242-R290 IonicContact OD1-CZ 3.75Å; D242-R290 IonicContact OD1-NH1 3.81Å; D242-R290 IonicContact OD1-NH2 2.82Å; D242-R290 PolarHBondContact OD1-NH2 3.03Å; S286-R290 WeakPolarHBondContact O-CB 3.49Å; S286-R290 PolarHBondContact O-N 3.19Å; Q287-R290 WeakPolarHBondContact O-CB 3.4Å; Q287-R290 PolarHBondContact O-N 3.4Å; I288-R290 VanDerWaalsContact C-N 3.34Å; I288-R290 PolarHBondContact O-N 3.3Å; R290-K293 PolarHBondContact O-N 3.41Å
291L87.2Confident84.9Confident1 Ų159.3 Ų59.31%0.00530%0.3CS..Hα-helixtrans-69.6-36.8-177-64.7170.1000112.1F241 T244 Q287 I288 K293 M294 W302F241-L291 WeakPolarHBondContact O-CD1 3.16Å; T244-L291 HydrophobicContact CG2-CD2 3.83Å; Q287-L291 WeakPolarHBondContact O-CB 3.32Å; Q287-L291 VanDerWaalsContact O-CG 3.23Å; Q287-L291 WeakPolarHBondContact O-CG 3.43Å; Q287-L291 PolarHBondContact O-N 3.16Å; I288-L291 PolarHBondContact O-N 3.42Å; L291-K293 PolarHBondContact O-N 2.89Å; L291-M294 HydrophobicContact CD2-CE 3.54Å; L291-M294 HydrophobicContact CD2-SD 3.69Å; L291-M294 WeakPolarHBondContact O-CB 3.49Å; L291-M294 PolarHBondContact O-N 3.07Å; L291-M294 VanDerWaalsContact O-N 3.14Å; L291-W302 HydrophobicContact CB-CB 3.95Å; L291-W302 HydrophobicContact CB-CD2 3.9Å; L291-W302 HydrophobicContact CB-CG 3.5Å; L291-W302 VanDerWaalsContact CB-CG 3.5Å; L291-W302 HydrophobicContact CD1-CD2 3.91Å; L291-W302 HydrophobicContact CD1-CE3 4.38Å; L291-W302 HydrophobicContact CD1-CG 4.38Å; L291-W302 HydrophobicContact CD1-CH2 4.44Å; L291-W302 HydrophobicContact CD1-CZ2 3.96Å
292S85.5Confident84.9Confident10 Ų1057.7 Ų57.77%0.0729%0.292CS..THydrogen-bonded Turntrans-64.8-22.6175.874.60000113.3I288 N289 N303I288-S292 VanDerWaalsContact O-CB 3.23Å; I288-S292 WeakPolarHBondContact O-CB 3.44Å; I288-S292 PolarHBondContact O-N 3.12Å; I288-S292 PolarHBondContact O-OG 3.31Å; N289-S292 PolarHBondContact O-OG 3.08Å; S292-N303 WeakPolarHBondContact CB-OD1 3.39Å; S292-N303 PolarHBondContact O-ND2 2.94Å; S292-N303 PolarHBondContact O-OD1 2.67Å
293K87.6Confident84.6Confident164 Ų16457.3 Ų57.371%0.71329%0.285SS*.THydrogen-bonded Turntrans-93.21.4177.6-66.6175.1-173.6177.30113.8N289 R290 L291N289-K293 WeakPolarHBondContact O-CD 3.24Å; N289-K293 VanDerWaalsContact O-CG 3.28Å; N289-K293 WeakPolarHBondContact O-CG 3.42Å; R290-K293 PolarHBondContact O-N 3.41Å; L291-K293 PolarHBondContact O-N 2.89Å
294M84.1Confident84.2Confident60 Ų6055.6 Ų55.630%0.29628%0.28SS..  trans-66.1155.3177.1-72.2-174.7163.700111.5L291 N296 A299L291-M294 HydrophobicContact CD2-CE 3.54Å; L291-M294 HydrophobicContact CD2-SD 3.69Å; L291-M294 WeakPolarHBondContact O-CB 3.49Å; L291-M294 PolarHBondContact O-N 3.07Å; L291-M294 VanDerWaalsContact O-N 3.14Å; M294-N296 VanDerWaalsContact C-N 3.34Å; M294-N296 WeakPolarHBondContact CB-OD1 3.43Å; M294-A299 HydrophobicContact CB-CB 4.31Å; M294-A299 WeakPolarHBondContact O-CB 3.29Å
295K80.8Confident83.9Confident218 Ų21855.6 Ų55.695%0.94828%0.28SS*.SBendtrans-100.241.7176-63.1-174.8179.7-178.90111.5
296N80.5Confident83.7Confident69 Ų6954.7 Ų54.737%0.36928%0.277SS..SBendtrans-127.3173.6179.564.814.3000110.8M294 A298 A299M294-N296 VanDerWaalsContact C-N 3.34Å; M294-N296 WeakPolarHBondContact CB-OD1 3.43Å; N296-A298 VanDerWaalsContact C-N 3.26Å; N296-A298 PolarHBondContact O-N 3.45Å; N296-A298 PolarHBondContact OD1-N 3.32Å; N296-A299 VanDerWaalsContact O-CB 3.29Å; N296-A299 WeakPolarHBondContact O-CB 3.42Å; N296-A299 PolarHBondContact O-N 2.94Å; N296-A299 VanDerWaalsContact O-N 3.16Å; N296-A299 PolarHBondContact OD1-N 3.17Å
297S74.1Confident83.4Confident71 Ų7154.8 Ų54.850%0.49728%0.277SS..THydrogen-bonded Turntrans-58.9-35.7-179.848.40000112.9F249 A299 K300F249-S297 VanDerWaalsContact CD2-O 3.29Å; F249-S297 WeakPolarHBondContact CD2-O 3.41Å; F249-S297 WeakPolarHBondContact CE2-O 3.48Å; S297-A299 PolarHBondContact O-N 3.11Å; S297-K300 PolarHBondContact O-N 2.79Å
298A77.6Confident83Confident2 Ų255.4 Ų55.42%0.01728%0.282CS..Hα-helixtrans-65.2-21.2178.900000113.6T244 N296 K300 F301 W302T244-A298 HydrophobicContact CG2-CB 4.24Å; N296-A298 VanDerWaalsContact C-N 3.26Å; N296-A298 PolarHBondContact O-N 3.45Å; N296-A298 PolarHBondContact OD1-N 3.32Å; A298-K300 VanDerWaalsContact C-N 3.25Å; A298-K300 PolarHBondContact O-N 2.69Å; A298-F301 WeakPolarHBondContact O-CB 3.39Å; A298-F301 PolarHBondContact O-N 3.34Å; A298-F301 VanDerWaalsContact O-N 3.09Å; A298-W302 VanDerWaalsContact O-CD1 3.22Å; A298-W302 PolarHBondContact O-N 2.81Å
299A82.9Confident82.4Confident8 Ų855.5 Ų55.57%0.06628%0.283CS..Hα-helixtrans-60.1-33.3179.900000113M294 N296 S297 W302 N303M294-A299 HydrophobicContact CB-CB 4.31Å; M294-A299 WeakPolarHBondContact O-CB 3.29Å; N296-A299 VanDerWaalsContact O-CB 3.29Å; N296-A299 WeakPolarHBondContact O-CB 3.42Å; N296-A299 PolarHBondContact O-N 2.94Å; N296-A299 VanDerWaalsContact O-N 3.16Å; N296-A299 PolarHBondContact OD1-N 3.17Å; S297-A299 PolarHBondContact O-N 3.11Å; A299-W302 PolarHBondContact O-N 2.86Å; A299-N303 VanDerWaalsContact O-CB 3.31Å; A299-N303 WeakPolarHBondContact O-CB 3.32Å; A299-N303 PolarHBondContact O-N 3.4Å; A299-N303 PolarHBondContact O-ND2 3.45Å
300K80.6Confident81.7Confident121 Ų12156.4 Ų56.453%0.52629%0.288SS..Hα-helixtrans-62.9-42175.3-70.9-178.5-177.8174.80111.6F249 E251 S297 A298 S304F249-K300 HydrophobicContact CZ-CB 4.43Å; E251-K300 IonicContact OE1-NZ 2.69Å; E251-K300 PolarHBondContact OE1-NZ 3.39Å; S297-K300 PolarHBondContact O-N 2.79Å; A298-K300 VanDerWaalsContact C-N 3.25Å; A298-K300 PolarHBondContact O-N 2.69Å; K300-S304 PolarHBondContact O-N 3.12Å; K300-S304 VanDerWaalsContact O-N 3.12Å; K300-S304 PolarHBondContact O-OG 2.93Å
301F82.1Confident80.9Confident2 Ų256.7 Ų56.71%0.00930%0.302CS..Hα-helixtrans-60.8-53.4174174.2-87.3000110.9I247 F249 I263 M264 L267 A298 N303 S304 V305I247-F301 HydrophobicContact CD1-CD1 3.72Å; I247-F301 HydrophobicContact CD1-CE1 3.62Å; I247-F301 HydrophobicContact CD1-CG 4.28Å; I247-F301 HydrophobicContact CD1-CZ 4.06Å; I247-F301 HydrophobicContact CG2-CB 3.97Å; I247-F301 HydrophobicContact CG2-CD1 4.35Å; I247-F301 HydrophobicContact CG2-CD2 3.89Å; I247-F301 HydrophobicContact CG2-CE2 4.39Å; I247-F301 HydrophobicContact CG2-CG 3.85Å; F249-F301 HydrophobicContact CE2-CB 3.57Å; F249-F301 HydrophobicContact CZ-CB 3.7Å; I263-F301 HydrophobicContact CG2-CE2 4.3Å; I263-F301 HydrophobicContact CG2-CZ 4.2Å; M264-F301 HydrophobicContact CB-CD2 3.97Å; M264-F301 HydrophobicContact CB-CE2 3.4Å; M264-F301 VanDerWaalsContact CB-CE2 3.4Å; M264-F301 HydrophobicContact CB-CZ 4.17Å; M264-F301 HydrophobicContact CG-CD2 4.22Å; M264-F301 HydrophobicContact CG-CE2 3.91Å; M264-F301 HydrophobicContact CG-CZ 4.47Å; L267-F301 HydrophobicContact CD1-CE1 3.81Å; L267-F301 HydrophobicContact CD1-CZ 3.58Å; L267-F301 HydrophobicContact CG-CZ 4.44Å; A298-F301 WeakPolarHBondContact O-CB 3.39Å; A298-F301 PolarHBondContact O-N 3.34Å; A298-F301 VanDerWaalsContact O-N 3.09Å; F301-N303 VanDerWaalsContact C-N 3.31Å; F301-N303 PolarHBondContact O-N 3.11Å; F301-S304 WeakPolarHBondContact O-CA 3.41Å; F301-S304 WeakPolarHBondContact O-CB 3.39Å; F301-S304 PolarHBondContact O-N 3.2Å; F301-V305 HydrophobicContact CD1-CG2 4.02Å; F301-V305 HydrophobicContact CE1-CG2 3.7Å; F301-V305 HydrophobicContact CZ-CG2 4.1Å; F301-V305 PolarHBondContact O-N 3.28Å
302W85Confident79.7Confident0 Ų060.7 Ų60.70%032%0.323CS..Hα-helixtrans-66.9-30.6-177-69.9114.4000113.5F241 T244 I247 L267 I288 L291 A298 A299 S304 V305 A306F241-W302 HydrophobicContact CB-CH2 4.19Å; F241-W302 AromaticContact CD1-CH2 3.92Å; F241-W302 HydrophobicContact CD1-CH2 3.92Å; F241-W302 AromaticContact CD1-CZ3 3.75Å; F241-W302 HydrophobicContact CD1-CZ3 3.75Å; F241-W302 HydrophobicContact CE1-CZ3 4.49Å; F241-W302 HydrophobicContact CG-CH2 4.42Å; F241-W302 WeakPolarHBondContact O-CH2 3.49Å; F241-W302 WeakPolarHBondContact O-CZ2 3.48Å; T244-W302 VanDerWaalsContact CG2-NE1 3.32Å; I247-W302 HydrophobicContact CD1-CZ2 3.7Å; L267-W302 HydrophobicContact CD1-CH2 3.78Å; L267-W302 HydrophobicContact CD1-CZ2 4.46Å; L267-W302 HydrophobicContact CD1-CZ3 4.47Å; I288-W302 HydrophobicContact CG1-CE3 4.22Å; I288-W302 HydrophobicContact CG1-CZ3 4.21Å; L291-W302 HydrophobicContact CB-CB 3.95Å; L291-W302 HydrophobicContact CB-CD2 3.9Å; L291-W302 HydrophobicContact CB-CG 3.5Å; L291-W302 VanDerWaalsContact CB-CG 3.5Å; L291-W302 HydrophobicContact CD1-CD2 3.91Å; L291-W302 HydrophobicContact CD1-CE3 4.38Å; L291-W302 HydrophobicContact CD1-CG 4.38Å; L291-W302 HydrophobicContact CD1-CH2 4.44Å; L291-W302 HydrophobicContact CD1-CZ2 3.96Å; A298-W302 VanDerWaalsContact O-CD1 3.22Å; A298-W302 PolarHBondContact O-N 2.81Å; A299-W302 PolarHBondContact O-N 2.86Å; W302-S304 VanDerWaalsContact C-N 3.33Å; W302-V305 HydrophobicContact CE3-CB 4.16Å; W302-V305 HydrophobicContact CE3-CG1 4.32Å; W302-V305 HydrophobicContact CE3-CG2 4.22Å; W302-V305 HydrophobicContact CZ3-CB 4.5Å; W302-V305 HydrophobicContact CZ3-CG1 4.3Å; W302-V305 HydrophobicContact CZ3-CG2 4.35Å; W302-A306 WeakPolarHBondContact O-CB 3.42Å; W302-A306 PolarHBondContact O-N 3.34Å
303N84Confident78.6Confident72 Ų7267.5 Ų67.539%0.38535%0.351SS..Hα-helixtrans-63.3-41.2169-82.1-54.3000111.4S292 A299 F301 A306 C307S292-N303 WeakPolarHBondContact CB-OD1 3.39Å; S292-N303 PolarHBondContact O-ND2 2.94Å; S292-N303 PolarHBondContact O-OD1 2.67Å; A299-N303 VanDerWaalsContact O-CB 3.31Å; A299-N303 WeakPolarHBondContact O-CB 3.32Å; A299-N303 PolarHBondContact O-N 3.4Å; A299-N303 PolarHBondContact O-ND2 3.45Å; F301-N303 VanDerWaalsContact C-N 3.31Å; F301-N303 PolarHBondContact O-N 3.11Å; N303-A306 PolarHBondContact O-N 3.46Å; N303-C307 WeakPolarHBondContact O-CB 3.49Å; N303-C307 PolarHBondContact O-N 3.48Å; N303-C307 PolarHBondContact O-SG 3.34Å
304S80.9Confident78.2Confident50 Ų5062.7 Ų62.735%0.3533%0.333SS..Hα-helixtrans-67.4-40.5178.4-52.30000111.8K300 F301 W302 T308K300-S304 PolarHBondContact O-N 3.12Å; K300-S304 VanDerWaalsContact O-N 3.12Å; K300-S304 PolarHBondContact O-OG 2.93Å; F301-S304 WeakPolarHBondContact O-CA 3.41Å; F301-S304 WeakPolarHBondContact O-CB 3.39Å; F301-S304 PolarHBondContact O-N 3.2Å; W302-S304 VanDerWaalsContact C-N 3.33Å; S304-T308 PolarHBondContact O-N 2.85Å; S304-T308 VanDerWaalsContact O-N 3.07Å; S304-T308 PolarHBondContact O-OG1 3.18Å
305V80.5Confident77.9Confident0 Ų062.8 Ų62.80%034%0.335CS..Hα-helixtrans-61.5-50.3170.5178.20000110.1M264 I268 I288 F301 W302 C307 T308 V309M264-V305 HydrophobicContact CG-CG2 4.36Å; I268-V305 HydrophobicContact CG1-CG1 4.38Å; I268-V305 HydrophobicContact CG1-CG2 4.17Å; I288-V305 HydrophobicContact CD1-CG1 4.1Å; I288-V305 HydrophobicContact CG2-CG1 4.48Å; F301-V305 HydrophobicContact CD1-CG2 4.02Å; F301-V305 HydrophobicContact CE1-CG2 3.7Å; F301-V305 HydrophobicContact CZ-CG2 4.1Å; F301-V305 PolarHBondContact O-N 3.28Å; W302-V305 HydrophobicContact CE3-CB 4.16Å; W302-V305 HydrophobicContact CE3-CG1 4.32Å; W302-V305 HydrophobicContact CE3-CG2 4.22Å; W302-V305 HydrophobicContact CZ3-CB 4.5Å; W302-V305 HydrophobicContact CZ3-CG1 4.3Å; W302-V305 HydrophobicContact CZ3-CG2 4.35Å; V305-C307 VanDerWaalsContact C-N 3.35Å; V305-C307 PolarHBondContact O-N 3.31Å; V305-T308 WeakPolarHBondContact O-CB 3.43Å; V305-T308 PolarHBondContact O-N 2.89Å; V305-T308 VanDerWaalsContact O-N 3.1Å; V305-V309 HydrophobicContact CG1-CG2 4.17Å; V305-V309 WeakPolarHBondContact O-CB 3.32Å; V305-V309 VanDerWaalsContact O-CG2 3.28Å; V305-V309 WeakPolarHBondContact O-CG2 3.33Å; V305-V309 PolarHBondContact O-N 3.23Å
306A83.3Confident77.7Confident8 Ų854.2 Ų54.27%0.06630%0.301CS..Hα-helixtrans-58.2-42.6179.600000112.9I288 W302 N303 V309 N310I288-A306 HydrophobicContact CG2-CB 3.64Å; W302-A306 WeakPolarHBondContact O-CB 3.42Å; W302-A306 PolarHBondContact O-N 3.34Å; N303-A306 PolarHBondContact O-N 3.46Å; A306-V309 PolarHBondContact O-N 3.33Å; A306-N310 WeakPolarHBondContact O-CB 3.43Å; A306-N310 PolarHBondContact O-N 3.36Å; A306-N310 PolarHBondContact O-ND2 2.95Å
307C83.3Confident77.6Confident83 Ų8353.3 Ų53.356%0.56130%0.297SS*.Hα-helixtrans-60.1-47.6174-75.10000111.1N303 V305 V309 N310 V311N303-C307 WeakPolarHBondContact O-CB 3.49Å; N303-C307 PolarHBondContact O-N 3.48Å; N303-C307 PolarHBondContact O-SG 3.34Å; V305-C307 VanDerWaalsContact C-N 3.35Å; V305-C307 PolarHBondContact O-N 3.31Å; C307-V309 VanDerWaalsContact C-N 3.31Å; C307-V309 PolarHBondContact O-N 2.92Å; C307-N310 PolarHBondContact O-N 2.93Å; C307-V311 VanDerWaalsContact O-CG2 3.28Å; C307-V311 WeakPolarHBondContact O-CG2 3.35Å; C307-V311 PolarHBondContact O-N 2.96Å
308T78.5Confident77.8Confident42 Ų4252.2 Ų52.226%0.25829%0.285SS..Hα-helixtrans-62.6-39.8178.8-53.30000111.8I268 S304 V305 V311I268-T308 HydrophobicContact CD1-CG2 4.13Å; I268-T308 HydrophobicContact CG1-CG2 4.42Å; I268-T308 HydrophobicContact CG2-CG2 3.71Å; S304-T308 PolarHBondContact O-N 2.85Å; S304-T308 VanDerWaalsContact O-N 3.07Å; S304-T308 PolarHBondContact O-OG1 3.18Å; V305-T308 WeakPolarHBondContact O-CB 3.43Å; V305-T308 PolarHBondContact O-N 2.89Å; V305-T308 VanDerWaalsContact O-N 3.1Å; T308-V311 PolarHBondContact O-N 3.47Å
309V73.3Confident77.8Confident4 Ų455.5 Ų55.52%0.02430%0.302CS..Hα-helixtrans-65.8-41.6176.71660000112.1F271 L285 I288 V305 A306 C307 V311 L312F271-V309 HydrophobicContact CD1-CB 4.33Å; F271-V309 HydrophobicContact CD1-CG1 4.22Å; F271-V309 HydrophobicContact CD1-CG2 3.33Å; F271-V309 HydrophobicContact CD2-CG2 4.18Å; F271-V309 HydrophobicContact CE1-CB 3.88Å; F271-V309 HydrophobicContact CE1-CG1 3.31Å; F271-V309 HydrophobicContact CE1-CG2 3.34Å; F271-V309 HydrophobicContact CE2-CG1 4.28Å; F271-V309 HydrophobicContact CE2-CG2 4.16Å; F271-V309 HydrophobicContact CG-CG2 3.77Å; F271-V309 HydrophobicContact CZ-CB 4.19Å; F271-V309 HydrophobicContact CZ-CG1 3.34Å; F271-V309 HydrophobicContact CZ-CG2 3.76Å; L285-V309 HydrophobicContact CD2-CG1 3.69Å; I288-V309 HydrophobicContact CD1-CG2 4.37Å; V305-V309 HydrophobicContact CG1-CG2 4.17Å; V305-V309 WeakPolarHBondContact O-CB 3.32Å; V305-V309 VanDerWaalsContact O-CG2 3.28Å; V305-V309 WeakPolarHBondContact O-CG2 3.33Å; V305-V309 PolarHBondContact O-N 3.23Å; A306-V309 PolarHBondContact O-N 3.33Å; C307-V309 VanDerWaalsContact C-N 3.31Å; C307-V309 PolarHBondContact O-N 2.92Å; V309-V311 VanDerWaalsContact C-N 3.26Å; V309-V311 PolarHBondContact O-N 3.02Å; V309-L312 WeakPolarHBondContact O-CB 3.16Å; V309-L312 PolarHBondContact O-N 3.01Å; V309-L312 VanDerWaalsContact O-N 3.11Å
310N74.6Confident77.4Confident84 Ų8458.9 Ų58.945%0.44932%0.319SS..Hα-helixtrans-66.8-26.8178.8-77.1-29.1000112.9A306 C307 L312 K313A306-N310 WeakPolarHBondContact O-CB 3.43Å; A306-N310 PolarHBondContact O-N 3.36Å; A306-N310 PolarHBondContact O-ND2 2.95Å; C307-N310 PolarHBondContact O-N 2.93Å; N310-L312 PolarHBondContact O-N 3.46Å; N310-K313 PolarHBondContact O-N 3.14Å
311V71.9Confident77.2Confident121 Ų12154.2 Ų54.273%0.73330%0.303SS*.THydrogen-bonded Turntrans-69.9-19.9174.2178.30000112.3C307 T308 V309C307-V311 VanDerWaalsContact O-CG2 3.28Å; C307-V311 WeakPolarHBondContact O-CG2 3.35Å; C307-V311 PolarHBondContact O-N 2.96Å; T308-V311 PolarHBondContact O-N 3.47Å; V309-V311 VanDerWaalsContact C-N 3.26Å; V309-V311 PolarHBondContact O-N 3.02Å
312L62.6Low76.8Confident85 Ų8558.5 Ų58.545%0.44533%0.328SS..THydrogen-bonded Turntrans-89.7-8.7-179.4-63.7164.6000113.8K272 V309 N310K272-L312 HydrophobicContact CD-CD1 4.22Å; K272-L312 HydrophobicContact CG-CD1 3.44Å; K272-L312 VanDerWaalsContact CG-CD1 3.44Å; V309-L312 WeakPolarHBondContact O-CB 3.16Å; V309-L312 PolarHBondContact O-N 3.01Å; V309-L312 VanDerWaalsContact O-N 3.11Å; N310-L312 PolarHBondContact O-N 3.46Å
313K63.4Low76Confident153 Ų15363.8 Ų63.867%0.66536%0.358SS*.  trans-82.50174.6-71.4-178.7176.6170.90110.9N310N310-K313 PolarHBondContact O-N 3.14Å

Retrieved 313 of 313 residues in 541.2 ms (Link to these results)

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