A0A087Y1W5_POEFO Loading...

Aquaporin 1a (Colton blood group), tandem duplicate 1

AlphaFold DB , UniProt , Accession A0A087Y1W5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 262 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
1T58.7Low83.2Confident82 Ų8299 Ų9950%0.50344%0.444SS..  0-78.30-16.90000116.5R3 E4 F5 F87 V239T1-R3 VanDerWaalsContact C-N 3.34Å; T1-R3 PolarHBondContact O-N 3.4Å; T1-E4 WeakPolarHBondContact CA-OE2 3.39Å; T1-E4 PolarHBondContact N-OE2 3.04Å; T1-E4 PolarHBondContact O-N 3.3Å; T1-F5 PolarHBondContact O-N 3.09Å; T1-F5 VanDerWaalsContact O-N 3.09Å; T1-F87 HydrophobicContact CG2-CB 4.34Å; T1-F87 HydrophobicContact CG2-CD2 4.47Å; T1-F87 HydrophobicContact CG2-CG 4.23Å; T1-V239 PolarHBondContact N-O 2.67Å
2M63.8Low84.4Confident157 Ų157103.9 Ų103.977%0.77346%0.456SS*.Hα-helixtrans-65.5-30.2-172.6-78.6-167.6-166.500114.6K6M2-K6 WeakPolarHBondContact O-CG 3.45Å
3R76Confident85.4Confident188 Ų18896.2 Ų96.271%0.70942%0.423SS*.Hα-helixtrans-72-48.6176.2-69.8-173.2-178.2-176.62.2111.7T1 F5 K6 S7 D247T1-R3 VanDerWaalsContact C-N 3.34Å; T1-R3 PolarHBondContact O-N 3.4Å; R3-F5 VanDerWaalsContact C-N 3.34Å; R3-F5 PolarHBondContact O-N 3.19Å; R3-K6 PolarHBondContact O-N 3.11Å; R3-K6 VanDerWaalsContact O-N 3.11Å; R3-S7 PolarHBondContact O-N 2.9Å; R3-D247 IonicContact NH1-OD1 3.72Å
4E81Confident86.3Confident0 Ų090.6 Ų90.60%040%0.401CS..Hα-helixtrans-56.9-46.9177.4-64.9172118.800111.7T1 K6 S7 F10 S85 F87 Y246T1-E4 WeakPolarHBondContact CA-OE2 3.39Å; T1-E4 PolarHBondContact N-OE2 3.04Å; T1-E4 PolarHBondContact O-N 3.3Å; E4-K6 PolarHBondContact O-N 3.41Å; E4-S7 WeakPolarHBondContact O-CB 3.48Å; E4-S7 PolarHBondContact O-N 2.85Å; E4-F10 HydrophobicContact CB-CD2 3.89Å; E4-F10 HydrophobicContact CB-CE2 4.18Å; E4-F10 HydrophobicContact CB-CG 4.38Å; E4-F10 VanDerWaalsContact O-CB 3.25Å; E4-F10 WeakPolarHBondContact O-CB 3.42Å; E4-F10 WeakPolarHBondContact O-CG 3.25Å; E4-S85 VanDerWaalsContact CD-OG 3.32Å; E4-S85 WeakPolarHBondContact OE1-CB 3.37Å; E4-S85 PolarHBondContact OE1-OG 3.39Å; E4-S85 PolarHBondContact OE2-OG 3.27Å; E4-F87 HydrophobicContact CB-CD1 4.21Å; E4-Y246 HydrophobicContact CG-CD2 3.84Å; E4-Y246 HydrophobicContact CG-CE2 3.64Å
5F84.1Confident87.2Confident121 Ų12191.5 Ų91.553%0.53141%0.41SS..Hα-helixtrans-57.8-33.5178.5-177.8-94.6000113.2T1 R3 W11 F87T1-F5 PolarHBondContact O-N 3.09Å; T1-F5 VanDerWaalsContact O-N 3.09Å; R3-F5 VanDerWaalsContact C-N 3.34Å; R3-F5 PolarHBondContact O-N 3.19Å; F5-W11 HydrophobicContact CD2-CH2 4.48Å; F5-W11 AromaticContact CD2-CZ2 3.7Å; F5-W11 HydrophobicContact CD2-CZ2 3.7Å; F5-W11 HydrophobicContact CE2-CH2 4.36Å; F5-W11 AromaticContact CE2-CZ2 3.71Å; F5-W11 HydrophobicContact CE2-CZ2 3.71Å; F5-W11 PolarHBondContact O-NE1 2.98Å; F5-F87 HydrophobicContact CB-CE1 4.3Å; F5-F87 HydrophobicContact CD2-CE1 4.45Å; F5-F87 HydrophobicContact CD2-CZ 4.04Å
6K85.8Confident87.9Confident172 Ų17286.3 Ų86.375%0.74839%0.389SS*.Hα-helixtrans-86.3-8.1179.1-68-179.7-178.9-175.80113.1M2 R3 E4M2-K6 WeakPolarHBondContact O-CG 3.45Å; R3-K6 PolarHBondContact O-N 3.11Å; R3-K6 VanDerWaalsContact O-N 3.11Å; E4-K6 PolarHBondContact O-N 3.41Å
7S90.4Very high88.5Confident17 Ų1781.2 Ų81.212%0.11937%0.366CS..  trans-82.6132.2-177.1176.50000112R3 E4 E9 F10 Y246R3-S7 PolarHBondContact O-N 2.9Å; E4-S7 WeakPolarHBondContact O-CB 3.48Å; E4-S7 PolarHBondContact O-N 2.85Å; S7-E9 VanDerWaalsContact C-N 3.33Å; S7-E9 PolarHBondContact OG-N 2.97Å; S7-F10 PolarHBondContact OG-N 3.18Å; S7-Y246 WeakPolarHBondContact OG-CD1 3.35Å
8K92.8Very high89.1Confident166 Ų16679.3 Ų79.372%0.72236%0.36SS*.Hα-helixtrans-68-34.4172.4-66.4-178.6-178.3177.20112F10 W11 R12K8-F10 VanDerWaalsContact C-N 3.34Å; K8-W11 PolarHBondContact O-N 3.44Å; K8-R12 VanDerWaalsContact O-CG 3.3Å; K8-R12 WeakPolarHBondContact O-CG 3.46Å; K8-R12 PolarHBondContact O-N 2.9Å
9E92.5Very high89.6Confident79 Ų7978.5 Ų78.537%0.36936%0.361SS..Hα-helixtrans-67.1-38.9180-68.3168.9163.800110.9S7 W11 R12 A13S7-E9 VanDerWaalsContact C-N 3.33Å; S7-E9 PolarHBondContact OG-N 2.97Å; E9-W11 PolarHBondContact O-N 3.05Å; E9-R12 PolarHBondContact O-N 2.98Å; E9-A13 WeakPolarHBondContact O-CB 3.48Å; E9-A13 PolarHBondContact O-N 3.13Å
10F94.4Very high90Very high0 Ų074.6 Ų74.60%034%0.343CS..Hα-helixtrans-54.9-52.3172.2179.3-91000111.6E4 S7 K8 R12 A13 V14 F87 K88 M91 Y246E4-F10 HydrophobicContact CB-CD2 3.89Å; E4-F10 HydrophobicContact CB-CE2 4.18Å; E4-F10 HydrophobicContact CB-CG 4.38Å; E4-F10 VanDerWaalsContact O-CB 3.25Å; E4-F10 WeakPolarHBondContact O-CB 3.42Å; E4-F10 WeakPolarHBondContact O-CG 3.25Å; S7-F10 PolarHBondContact OG-N 3.18Å; K8-F10 VanDerWaalsContact C-N 3.34Å; F10-R12 PolarHBondContact O-N 2.98Å; F10-A13 WeakPolarHBondContact O-CB 3.41Å; F10-A13 PolarHBondContact O-N 3.16Å; F10-A13 VanDerWaalsContact O-N 3.16Å; F10-V14 HydrophobicContact CD1-CG2 4.16Å; F10-V14 HydrophobicContact CE1-CG2 3.73Å; F10-V14 HydrophobicContact CZ-CG2 4.01Å; F10-V14 WeakPolarHBondContact O-CG2 3.2Å; F10-V14 PolarHBondContact O-N 3.28Å; F10-F87 HydrophobicContact CE1-CD1 4.31Å; F10-F87 AromaticContact CE1-CE1 3.63Å; F10-F87 HydrophobicContact CE1-CE1 3.63Å; F10-F87 HydrophobicContact CE1-CZ 4.29Å; F10-F87 AromaticContact CE2-CD1 3.93Å; F10-F87 HydrophobicContact CE2-CD1 3.93Å; F10-F87 HydrophobicContact CE2-CE1 4.07Å; F10-F87 AromaticContact CZ-CD1 3.58Å; F10-F87 HydrophobicContact CZ-CD1 3.58Å; F10-F87 AromaticContact CZ-CE1 3.35Å; F10-F87 HydrophobicContact CZ-CE1 3.35Å; F10-F87 HydrophobicContact CZ-CZ 4.19Å; F10-K88 HydrophobicContact CE2-CB 3.84Å; F10-K88 HydrophobicContact CE2-CG 3.95Å; F10-M91 HydrophobicContact CE1-CB 4.4Å; F10-M91 HydrophobicContact CE1-CG 4.13Å; F10-M91 HydrophobicContact CZ-CB 3.98Å; F10-M91 HydrophobicContact CZ-CG 3.81Å; F10-Y246 HydrophobicContact CB-CD1 4.33Å; F10-Y246 HydrophobicContact CB-CE1 3.66Å; F10-Y246 HydrophobicContact CD2-CE1 4.18Å; F10-Y246 AromaticContact CD2-CZ 4Å; F10-Y246 HydrophobicContact CG-CE1 4.44Å
11W96.2Very high90.5Very high107 Ų10771 Ų7141%0.40533%0.327SS..Hα-helixtrans-69.2-32.3-178.7-68112.9000113.2F5 K8 E9 A13 V14 L15 M91F5-W11 HydrophobicContact CD2-CH2 4.48Å; F5-W11 AromaticContact CD2-CZ2 3.7Å; F5-W11 HydrophobicContact CD2-CZ2 3.7Å; F5-W11 HydrophobicContact CE2-CH2 4.36Å; F5-W11 AromaticContact CE2-CZ2 3.71Å; F5-W11 HydrophobicContact CE2-CZ2 3.71Å; F5-W11 PolarHBondContact O-NE1 2.98Å; K8-W11 PolarHBondContact O-N 3.44Å; E9-W11 PolarHBondContact O-N 3.05Å; W11-A13 VanDerWaalsContact C-N 3.31Å; W11-V14 HydrophobicContact CE3-CB 4.41Å; W11-V14 HydrophobicContact CE3-CG2 4.48Å; W11-V14 PolarHBondContact O-N 3.36Å; W11-L15 WeakPolarHBondContact O-CB 3.27Å; W11-L15 PolarHBondContact O-N 2.59Å; W11-M91 HydrophobicContact CH2-SD 4.48Å
12R97.4Very high92.4Very high158 Ų15868.1 Ų68.160%0.59631%0.309SS*.Hα-helixtrans-62.4-40.4170.4-74.5171.1175.7173.7-3.4111.5K8 E9 F10 L15 A16 I65K8-R12 VanDerWaalsContact O-CG 3.3Å; K8-R12 WeakPolarHBondContact O-CG 3.46Å; K8-R12 PolarHBondContact O-N 2.9Å; E9-R12 PolarHBondContact O-N 2.98Å; F10-R12 PolarHBondContact O-N 2.98Å; R12-L15 PolarHBondContact O-N 3.41Å; R12-A16 WeakPolarHBondContact O-CB 3.42Å; R12-A16 PolarHBondContact O-N 3.01Å; R12-I65 HydrophobicContact CB-CG2 4.45Å
13A97.6Very high94Very high3 Ų364.6 Ų64.63%0.02529%0.292CS..Hα-helixtrans-66.6-43.4176.900000112.3E9 F10 W11 L15 A16 E17 I65 S66 Y92E9-A13 WeakPolarHBondContact O-CB 3.48Å; E9-A13 PolarHBondContact O-N 3.13Å; F10-A13 WeakPolarHBondContact O-CB 3.41Å; F10-A13 PolarHBondContact O-N 3.16Å; F10-A13 VanDerWaalsContact O-N 3.16Å; W11-A13 VanDerWaalsContact C-N 3.31Å; A13-L15 VanDerWaalsContact C-N 3.35Å; A13-L15 PolarHBondContact O-N 2.54Å; A13-A16 WeakPolarHBondContact O-CB 3.42Å; A13-A16 PolarHBondContact O-N 2.88Å; A13-E17 PolarHBondContact O-N 3Å; A13-I65 WeakPolarHBondContact CB-O 3.44Å; A13-S66 WeakPolarHBondContact O-CB 3.28Å; A13-Y92 HydrophobicContact CB-CE1 4.26Å; A13-Y92 WeakPolarHBondContact CB-OH 3.3Å
14V98.4Very high95.1Very high18 Ų1855.9 Ų55.911%0.10926%0.26CS..Hα-helixtrans-61.2-42.7173.4175.90000111.4F10 W11 A16 E17 L18 M91 Y92 A95F10-V14 HydrophobicContact CD1-CG2 4.16Å; F10-V14 HydrophobicContact CE1-CG2 3.73Å; F10-V14 HydrophobicContact CZ-CG2 4.01Å; F10-V14 WeakPolarHBondContact O-CG2 3.2Å; F10-V14 PolarHBondContact O-N 3.28Å; W11-V14 HydrophobicContact CE3-CB 4.41Å; W11-V14 HydrophobicContact CE3-CG2 4.48Å; W11-V14 PolarHBondContact O-N 3.36Å; V14-A16 VanDerWaalsContact C-N 3.35Å; V14-E17 PolarHBondContact O-N 3.26Å; V14-L18 PolarHBondContact O-N 2.78Å; V14-L18 VanDerWaalsContact O-N 3.15Å; V14-M91 HydrophobicContact CG1-CB 4.42Å; V14-M91 HydrophobicContact CG2-CB 3.83Å; V14-Y92 HydrophobicContact CG2-CD1 4.12Å; V14-Y92 HydrophobicContact CG2-CE1 4.14Å; V14-A95 HydrophobicContact CG1-CB 3.89Å; V14-A95 WeakPolarHBondContact O-CB 3.28Å
15L98.4Very high95.9Very high104 Ų10455.9 Ų55.955%0.54526%0.26SS..Hα-helixtrans-64.8-39.3175.6179.961.9000111.9W11 R12 A13 E17 L18 V19W11-L15 WeakPolarHBondContact O-CB 3.27Å; W11-L15 PolarHBondContact O-N 2.59Å; R12-L15 PolarHBondContact O-N 3.41Å; A13-L15 VanDerWaalsContact C-N 3.35Å; A13-L15 PolarHBondContact O-N 2.54Å; L15-E17 VanDerWaalsContact C-N 3.31Å; L15-E17 PolarHBondContact O-N 3.46Å; L15-L18 PolarHBondContact O-N 3.37Å; L15-V19 HydrophobicContact CD1-CG2 4.1Å; L15-V19 HydrophobicContact CG-CG2 4.31Å; L15-V19 WeakPolarHBondContact O-CG2 3.4Å; L15-V19 PolarHBondContact O-N 3.19Å
16A98.6Very high96.5Very high8 Ų853.6 Ų53.67%0.06625%0.25CC..Hα-helixtrans-62.8-37.4176.300000111.9R12 A13 V14 G20 I65R12-A16 WeakPolarHBondContact O-CB 3.42Å; R12-A16 PolarHBondContact O-N 3.01Å; A13-A16 WeakPolarHBondContact O-CB 3.42Å; A13-A16 PolarHBondContact O-N 2.88Å; V14-A16 VanDerWaalsContact C-N 3.35Å; A16-G20 WeakPolarHBondContact O-CA 3.3Å; A16-G20 PolarHBondContact O-N 3.02Å; A16-I65 HydrophobicContact CB-CB 4.28Å; A16-I65 HydrophobicContact CB-CG2 3.92Å
17E98.7Very high97Very high0 Ų049.5 Ų49.50%024%0.235CC..Hα-helixtrans-62.8-43.9171.7-75.9-69.914200112.2A13 V14 L15 M21 A68 H69 L70 Y92 A95 Q96A13-E17 PolarHBondContact O-N 3Å; V14-E17 PolarHBondContact O-N 3.26Å; L15-E17 VanDerWaalsContact C-N 3.31Å; L15-E17 PolarHBondContact O-N 3.46Å; E17-M21 WeakPolarHBondContact O-CB 3.39Å; E17-M21 PolarHBondContact O-N 3.27Å; E17-A68 WeakPolarHBondContact OE1-CA 3.39Å; E17-H69 PolarHBondContact OE1-N 2.98Å; E17-L70 PolarHBondContact OE1-N 3.46Å; E17-L70 WeakPolarHBondContact OE2-CA 3.49Å; E17-L70 PolarHBondContact OE2-N 3.3Å; E17-Y92 HydrophobicContact CG-CD1 4.01Å; E17-Y92 HydrophobicContact CG-CD2 3.63Å; E17-Y92 HydrophobicContact CG-CE1 4.1Å; E17-Y92 HydrophobicContact CG-CE2 3.72Å; E17-Y92 HydrophobicContact CG-CG 3.78Å; E17-A95 HydrophobicContact CB-CB 4.12Å; E17-Q96 WeakPolarHBondContact OE2-CG 3.31Å; E17-Q96 PolarHBondContact OE2-NE2 3.05Å
18L98.8Very high97.1Very high48 Ų4848.7 Ų48.725%0.25123%0.23SC..Hα-helixtrans-62.7-49.2177.3-177.2147.2000111.8V14 L15 M21 T22 A95 L98V14-L18 PolarHBondContact O-N 2.78Å; V14-L18 VanDerWaalsContact O-N 3.15Å; L15-L18 PolarHBondContact O-N 3.37Å; L18-M21 PolarHBondContact O-N 3.45Å; L18-T22 WeakPolarHBondContact O-CB 3.48Å; L18-T22 PolarHBondContact O-N 3.46Å; L18-T22 PolarHBondContact O-OG1 2.99Å; L18-A95 HydrophobicContact CB-CB 4.07Å; L18-L98 HydrophobicContact CD1-CB 4.14Å
19V98.8Very high97Very high64 Ų6440.8 Ų40.839%0.38820%0.196SC..Hα-helixtrans-65.9-46.7-179.51720000110.5L15 M21 T22 L23L15-V19 HydrophobicContact CD1-CG2 4.1Å; L15-V19 HydrophobicContact CG-CG2 4.31Å; L15-V19 WeakPolarHBondContact O-CG2 3.4Å; L15-V19 PolarHBondContact O-N 3.19Å; V19-M21 VanDerWaalsContact C-N 3.32Å; V19-M21 PolarHBondContact O-N 3.42Å; V19-T22 WeakPolarHBondContact O-CB 3.42Å; V19-T22 PolarHBondContact O-N 3.18Å; V19-L23 HydrophobicContact CG1-CD1 4.21Å; V19-L23 WeakPolarHBondContact O-CG 3.15Å; V19-L23 PolarHBondContact O-N 3.08Å
20G98.7Very high96.9Very high0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-59.3-44.3177.400000111.7A16 T22 L23 F24 L58 L62A16-G20 WeakPolarHBondContact O-CA 3.3Å; A16-G20 PolarHBondContact O-N 3.02Å; G20-T22 VanDerWaalsContact C-N 3.34Å; G20-T22 PolarHBondContact O-N 3.32Å; G20-L23 PolarHBondContact O-N 3.23Å; G20-F24 VanDerWaalsContact O-CB 3.32Å; G20-F24 WeakPolarHBondContact O-CB 3.33Å; G20-F24 PolarHBondContact O-N 3.41Å; G20-L58 WeakPolarHBondContact O-CD1 3.49Å; G20-L62 VanDerWaalsContact CA-CD1 3.48Å
21M98.6Very high96.5Very high0 Ų040.7 Ų40.70%020%0.202CC..Hα-helixtrans-67.9-36.2179-16862.3-177.900112E17 L18 V19 F24 I25 L70 Q96 A187 R188E17-M21 WeakPolarHBondContact O-CB 3.39Å; E17-M21 PolarHBondContact O-N 3.27Å; L18-M21 PolarHBondContact O-N 3.45Å; V19-M21 VanDerWaalsContact C-N 3.32Å; V19-M21 PolarHBondContact O-N 3.42Å; M21-F24 HydrophobicContact CE-CD1 4.16Å; M21-F24 HydrophobicContact CE-CE1 4.44Å; M21-F24 PolarHBondContact O-N 3.3Å; M21-F24 HydrophobicContact SD-CD1 3.67Å; M21-F24 HydrophobicContact SD-CE1 4.38Å; M21-I25 HydrophobicContact CE-CD1 3.62Å; M21-I25 HydrophobicContact CE-CG1 3.57Å; M21-I25 HydrophobicContact CG-CG1 4.36Å; M21-I25 WeakPolarHBondContact O-CB 3.37Å; M21-I25 VanDerWaalsContact O-CG1 3.31Å; M21-I25 WeakPolarHBondContact O-CG1 3.3Å; M21-I25 PolarHBondContact O-N 3.05Å; M21-I25 HydrophobicContact SD-CG1 4.12Å; M21-L70 HydrophobicContact CB-CD2 4.5Å; M21-L70 HydrophobicContact SD-CB 4.39Å; M21-Q96 HydrophobicContact CG-CB 4.25Å; M21-Q96 WeakPolarHBondContact CG-O 3.47Å; M21-A187 HydrophobicContact CE-CB 3.62Å; M21-R188 HydrophobicContact CE-CB 4.13Å
22T98.8Very high95.9Very high21 Ų2136.6 Ų36.613%0.12919%0.191CC..Hα-helixtrans-60.5-48.8174.1-550000110.8L18 V19 G20 F26 G99 L102 A103 I106L18-T22 WeakPolarHBondContact O-CB 3.48Å; L18-T22 PolarHBondContact O-N 3.46Å; L18-T22 PolarHBondContact O-OG1 2.99Å; V19-T22 WeakPolarHBondContact O-CB 3.42Å; V19-T22 PolarHBondContact O-N 3.18Å; G20-T22 VanDerWaalsContact C-N 3.34Å; G20-T22 PolarHBondContact O-N 3.32Å; T22-F26 VanDerWaalsContact O-CB 3.23Å; T22-F26 WeakPolarHBondContact O-CB 3.46Å; T22-F26 PolarHBondContact O-N 3.07Å; T22-G99 WeakPolarHBondContact CA-O 3.14Å; T22-G99 WeakPolarHBondContact OG1-CA 3.36Å; T22-G99 PolarHBondContact OG1-O 3.34Å; T22-L102 HydrophobicContact CG2-CD2 4.04Å; T22-L102 HydrophobicContact CG2-CG 4.2Å; T22-A103 HydrophobicContact CG2-CB 4.1Å; T22-A103 WeakPolarHBondContact O-CB 3.38Å; T22-I106 HydrophobicContact CG2-CD1 4.49Å
23L98.6Very high95.2Very high82 Ų8230 Ų3043%0.42917%0.168SC..Hα-helixtrans-65.7-44.6179.2-68.5174.9000112V19 G20 I25 F26 L27 L58V19-L23 HydrophobicContact CG1-CD1 4.21Å; V19-L23 WeakPolarHBondContact O-CG 3.15Å; V19-L23 PolarHBondContact O-N 3.08Å; G20-L23 PolarHBondContact O-N 3.23Å; L23-I25 PolarHBondContact O-N 3.34Å; L23-F26 PolarHBondContact O-N 3.04Å; L23-L27 WeakPolarHBondContact O-CB 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.89Å; L23-L58 HydrophobicContact CB-CD1 4.38Å; L23-L58 HydrophobicContact CB-CD2 4.06Å; L23-L58 HydrophobicContact CD1-CD2 4.02Å
24F98.5Very high93.6Very high5 Ų532.7 Ų32.72%0.02220%0.195CC..Hα-helixtrans-54.3-55.9178171.7-132.4000110.7G20 M21 F26 L27 S28 F51 A54 I55 L58 R188G20-F24 VanDerWaalsContact O-CB 3.32Å; G20-F24 WeakPolarHBondContact O-CB 3.33Å; G20-F24 PolarHBondContact O-N 3.41Å; M21-F24 HydrophobicContact CE-CD1 4.16Å; M21-F24 HydrophobicContact CE-CE1 4.44Å; M21-F24 PolarHBondContact O-N 3.3Å; M21-F24 HydrophobicContact SD-CD1 3.67Å; M21-F24 HydrophobicContact SD-CE1 4.38Å; F24-F26 PolarHBondContact O-N 3.38Å; F24-L27 PolarHBondContact O-N 3.33Å; F24-S28 WeakPolarHBondContact CD2-OG 3.29Å; F24-S28 WeakPolarHBondContact CE2-OG 3.41Å; F24-S28 WeakPolarHBondContact O-CB 3.45Å; F24-S28 PolarHBondContact O-N 3.13Å; F24-S28 PolarHBondContact O-OG 3.44Å; F24-F51 HydrophobicContact CE2-CB 4.45Å; F24-F51 AromaticContact CE2-CD1 3.71Å; F24-F51 HydrophobicContact CE2-CD1 3.71Å; F24-F51 HydrophobicContact CE2-CE1 4.42Å; F24-F51 HydrophobicContact CE2-CG 4.39Å; F24-F51 AromaticContact CZ-CD1 3.63Å; F24-F51 HydrophobicContact CZ-CD1 3.63Å; F24-F51 HydrophobicContact CZ-CE1 4.14Å; F24-A54 HydrophobicContact CD2-CB 3.88Å; F24-A54 HydrophobicContact CE2-CB 4.45Å; F24-I55 HydrophobicContact CD1-CD1 4.17Å; F24-I55 HydrophobicContact CD2-CD1 3.82Å; F24-I55 HydrophobicContact CD2-CG1 3.99Å; F24-I55 HydrophobicContact CE1-CD1 4.12Å; F24-I55 HydrophobicContact CE2-CD1 3.77Å; F24-I55 HydrophobicContact CE2-CG1 3.62Å; F24-I55 HydrophobicContact CG-CD1 4.02Å; F24-I55 HydrophobicContact CZ-CD1 3.91Å; F24-I55 HydrophobicContact CZ-CG1 4Å; F24-L58 HydrophobicContact CB-CD1 3.56Å; F24-R188 HydrophobicContact CE1-CB 4.48Å
25I97.9Very high92.1Very high0 Ų035.3 Ų35.30%021%0.209CC..Hα-helixtrans-67.9-39.2-176-63.9-59000112M21 L23 I29 A103 R188M21-I25 HydrophobicContact CE-CD1 3.62Å; M21-I25 HydrophobicContact CE-CG1 3.57Å; M21-I25 HydrophobicContact CG-CG1 4.36Å; M21-I25 WeakPolarHBondContact O-CB 3.37Å; M21-I25 VanDerWaalsContact O-CG1 3.31Å; M21-I25 WeakPolarHBondContact O-CG1 3.3Å; M21-I25 PolarHBondContact O-N 3.05Å; M21-I25 HydrophobicContact SD-CG1 4.12Å; L23-I25 PolarHBondContact O-N 3.34Å; I25-I29 HydrophobicContact CG2-CD1 3.49Å; I25-I29 VanDerWaalsContact CG2-CD1 3.49Å; I25-I29 HydrophobicContact CG2-CG1 4.05Å; I25-I29 WeakPolarHBondContact O-CB 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.35Å; I25-I29 PolarHBondContact O-N 2.9Å; I25-A103 HydrophobicContact CB-CB 3.64Å; I25-A103 HydrophobicContact CG2-CB 3.64Å; I25-R188 HydrophobicContact CD1-CB 3.55Å; I25-R188 HydrophobicContact CD1-CG 3.55Å
26F96.8Very high90.2Very high74 Ų7435 Ų3533%0.32520%0.203SC..Hα-helixtrans-59-51.7176.3174.9-98.4000111.3T22 L23 F24 S30 A103 I106 V107T22-F26 VanDerWaalsContact O-CB 3.23Å; T22-F26 WeakPolarHBondContact O-CB 3.46Å; T22-F26 PolarHBondContact O-N 3.07Å; L23-F26 PolarHBondContact O-N 3.04Å; F24-F26 PolarHBondContact O-N 3.38Å; F26-S30 WeakPolarHBondContact O-CB 3.46Å; F26-S30 PolarHBondContact O-N 3.41Å; F26-S30 VanDerWaalsContact O-N 3.11Å; F26-S30 PolarHBondContact O-OG 3.38Å; F26-A103 HydrophobicContact CB-CB 4.27Å; F26-I106 HydrophobicContact CD2-CG2 3.9Å; F26-I106 HydrophobicContact CE2-CG2 3.88Å; F26-V107 HydrophobicContact CD2-CG2 3.68Å; F26-V107 HydrophobicContact CE2-CG2 4.28Å; F26-V107 HydrophobicContact CG-CG2 4.48Å
27L95.5Very high88.2Confident85 Ų8541.6 Ų41.645%0.44524%0.237SC..Hα-helixtrans-64.8-46.4-178.1-67.6170000111.7L23 F24 T31L23-L27 WeakPolarHBondContact O-CB 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.89Å; F24-L27 PolarHBondContact O-N 3.33Å; L27-T31 WeakPolarHBondContact O-CB 3.36Å; L27-T31 PolarHBondContact O-N 3.49Å; L27-T31 PolarHBondContact O-OG1 3.06Å
28S93.2Very high86.2Confident0 Ų043.3 Ų43.30%025%0.246CC..Hα-helixtrans-71-46.5-174.4-63.80000113F24 T31 A32 F51F24-S28 WeakPolarHBondContact CD2-OG 3.29Å; F24-S28 WeakPolarHBondContact CE2-OG 3.41Å; F24-S28 WeakPolarHBondContact O-CB 3.45Å; F24-S28 PolarHBondContact O-N 3.13Å; F24-S28 PolarHBondContact O-OG 3.44Å; S28-T31 PolarHBondContact O-N 2.96Å; S28-A32 PolarHBondContact O-N 3.31Å; S28-A32 VanDerWaalsContact O-N 3.12Å; S28-F51 VanDerWaalsContact CB-CE2 3.49Å; S28-F51 VanDerWaalsContact CB-CZ 3.47Å
29I90.7Very high84.1Confident1 Ų147.9 Ų47.91%0.00528%0.277CS..Hα-helixtrans-71-40.2178.8-62-173.7000111.2I25 T31 A32 I33 V107 L118 P192I25-I29 HydrophobicContact CG2-CD1 3.49Å; I25-I29 VanDerWaalsContact CG2-CD1 3.49Å; I25-I29 HydrophobicContact CG2-CG1 4.05Å; I25-I29 WeakPolarHBondContact O-CB 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.35Å; I25-I29 PolarHBondContact O-N 2.9Å; I29-T31 PolarHBondContact O-N 3.34Å; I29-A32 PolarHBondContact O-N 3.44Å; I29-I33 HydrophobicContact CG2-CG2 4.15Å; I29-I33 WeakPolarHBondContact O-CG1 3.3Å; I29-I33 PolarHBondContact O-N 3.39Å; I29-V107 HydrophobicContact CG2-CG1 4Å; I29-L118 VanDerWaalsContact CG2-O 3.28Å; I29-L118 WeakPolarHBondContact CG2-O 3.45Å; I29-P192 HydrophobicContact CD1-CG 3.36Å
30S89.9Confident82.2Confident36 Ų3646.7 Ų46.725%0.25227%0.273SS..Hα-helixtrans-57.8-36.8175.9-61.30000111.5F26 G34F26-S30 WeakPolarHBondContact O-CB 3.46Å; F26-S30 PolarHBondContact O-N 3.41Å; F26-S30 VanDerWaalsContact O-N 3.11Å; F26-S30 PolarHBondContact O-OG 3.38Å; S30-G34 PolarHBondContact O-N 2.99Å; S30-G34 VanDerWaalsContact O-N 3.15Å
31T87.5Confident80.1Confident40 Ų4052.3 Ų52.325%0.24531%0.31CS..Hα-helixtrans-68.1-39.1175.5-57.20000112.3L27 S28 I29 K46 A50L27-T31 WeakPolarHBondContact O-CB 3.36Å; L27-T31 PolarHBondContact O-N 3.49Å; L27-T31 PolarHBondContact O-OG1 3.06Å; S28-T31 PolarHBondContact O-N 2.96Å; I29-T31 PolarHBondContact O-N 3.34Å; T31-K46 HydrophobicContact CG2-CD 4.23Å; T31-K46 HydrophobicContact CG2-CG 3.87Å; T31-A50 HydrophobicContact CG2-CB 3.63Å
32A83.7Confident78.5Confident22 Ų2256.5 Ų56.518%0.18233%0.332CS..Hα-helixtrans-69.9-35.3-179.500000113.4S28 I29 V47S28-A32 PolarHBondContact O-N 3.31Å; S28-A32 VanDerWaalsContact O-N 3.12Å; I29-A32 PolarHBondContact O-N 3.44Å; A32-V47 HydrophobicContact CB-CG2 4.11Å
33I81.1Confident77.4Confident20 Ų2058.8 Ų58.810%0.10334%0.341CS..Hα-helixtrans-92.9-12.2-178.170.8176.1000114.1I29 N35 V107 R111 T115 A117I29-I33 HydrophobicContact CG2-CG2 4.15Å; I29-I33 WeakPolarHBondContact O-CG1 3.3Å; I29-I33 PolarHBondContact O-N 3.39Å; I33-N35 VanDerWaalsContact C-N 3.28Å; I33-N35 PolarHBondContact O-N 2.97Å; I33-N35 VanDerWaalsContact O-N 3.14Å; I33-V107 HydrophobicContact CD1-CG1 3.46Å; I33-V107 VanDerWaalsContact CD1-CG1 3.46Å; I33-R111 HydrophobicContact CD1-CB 3.9Å; I33-T115 HydrophobicContact CB-CG2 4.41Å; I33-A117 HydrophobicContact CG2-CB 4.36Å
34G65.6Low76.8Confident59 Ų5958.3 Ų58.361%0.60834%0.337SS*.SBendtrans-69.1-10.2-165.300000117S30S30-G34 PolarHBondContact O-N 2.99Å; S30-G34 VanDerWaalsContact O-N 3.15Å
35N66.3Low76.5Confident73 Ų7361.7 Ų61.739%0.3936%0.358SS..  trans-145.399.5173.4-170.4-3000111.8I33 N37 N38I33-N35 VanDerWaalsContact C-N 3.28Å; I33-N35 PolarHBondContact O-N 2.97Å; I33-N35 VanDerWaalsContact O-N 3.14Å; N35-N37 VanDerWaalsContact C-N 3.33Å; N35-N37 PolarHBondContact OD1-N 3.03Å; N35-N37 VanDerWaalsContact OD1-N 3.13Å; N35-N38 HydrophobicContact CB-CB 4.25Å; N35-N38 PolarHBondContact OD1-N 3.18Å
36K57.2Low76.2Confident96 Ų9666 Ų6642%0.41738%0.377SS..THydrogen-bonded Turntrans-73.2-23.1178-68.3175.2-176.7157.60114.7N38 D114 T115K36-N38 VanDerWaalsContact C-N 3.29Å; K36-D114 PolarHBondContact NZ-O 3Å; K36-D114 IonicContact NZ-OD1 2.92Å; K36-D114 PolarHBondContact NZ-OD1 3.09Å; K36-D114 IonicContact NZ-OD2 2.84Å; K36-D114 PolarHBondContact NZ-OD2 3.04Å; K36-T115 VanDerWaalsContact CE-CB 3.45Å; K36-T115 WeakPolarHBondContact CE-OG1 3.35Å; K36-T115 PolarHBondContact NZ-OG1 2.98Å
37N56.6Low75.9Confident148 Ų14863.2 Ų63.279%0.79137%0.365SS*.THydrogen-bonded Turntrans-936-175.6-64.4-23.9000111.6N35 T39N35-N37 VanDerWaalsContact C-N 3.33Å; N35-N37 PolarHBondContact OD1-N 3.03Å; N35-N37 VanDerWaalsContact OD1-N 3.13Å; N37-T39 PolarHBondContact O-N 3.01Å
38N56.8Low75.9Confident36 Ų3659.2 Ų59.219%0.19334%0.344CS..  trans-8498.6176.3-16111.4000110N35 K36 A40 D42 Q43N35-N38 HydrophobicContact CB-CB 4.25Å; N35-N38 PolarHBondContact OD1-N 3.18Å; K36-N38 VanDerWaalsContact C-N 3.29Å; N38-A40 VanDerWaalsContact OD1-CB 3.28Å; N38-A40 WeakPolarHBondContact OD1-CB 3.45Å; N38-A40 PolarHBondContact OD1-N 3.23Å; N38-D42 PolarHBondContact ND2-OD1 3.41Å; N38-Q43 PolarHBondContact O-OE1 3.45Å
39T55.1Low76.1Confident144 Ų14462.9 Ų62.988%0.88336%0.363SS*.  trans-87.24.1172.3560000112.2N37N37-T39 PolarHBondContact O-N 3.01Å
40A58.8Low76.3Confident38 Ų3863.9 Ų63.931%0.31437%0.372SS..SBendtrans-82.6145.9-176.700000111.7N38 D42 Q43N38-A40 VanDerWaalsContact OD1-CB 3.28Å; N38-A40 WeakPolarHBondContact OD1-CB 3.45Å; N38-A40 PolarHBondContact OD1-N 3.23Å; A40-D42 WeakPolarHBondContact CB-OD1 3.33Å; A40-D42 PolarHBondContact O-N 2.87Å; A40-D42 VanDerWaalsContact O-N 3.08Å; A40-D42 VanDerWaalsContact O-OD1 3.14Å; A40-Q43 PolarHBondContact O-N 2.92Å
41P55.6Low76.7Confident118 Ų11862.2 Ų62.277%0.76636%0.36SS*.THydrogen-bonded Turntrans-65.2-7.6177.325.3-33.6000113.8Q43P41-Q43 PolarHBondContact O-N 3.48Å
42D63.8Low77.2Confident88 Ų8860.4 Ų60.447%0.47135%0.35SS..Hα-helixtrans-65.3-16.7176.269.2-22.9000113.3N38 A40 E44 V45 K46N38-D42 PolarHBondContact ND2-OD1 3.41Å; A40-D42 WeakPolarHBondContact CB-OD1 3.33Å; A40-D42 PolarHBondContact O-N 2.87Å; A40-D42 VanDerWaalsContact O-N 3.08Å; A40-D42 VanDerWaalsContact O-OD1 3.14Å; D42-E44 PolarHBondContact O-N 2.97Å; D42-V45 PolarHBondContact O-N 2.9Å; D42-K46 WeakPolarHBondContact O-CB 3.45Å; D42-K46 PolarHBondContact O-N 3.4Å
43Q77.2Confident77.9Confident70 Ų7063.6 Ų63.633%0.32736%0.363SS..Hα-helixtrans-65.1-38.6179.8-171.6173.8-11.600112.6N38 A40 P41 K46 V47N38-Q43 PolarHBondContact O-OE1 3.45Å; A40-Q43 PolarHBondContact O-N 2.92Å; P41-Q43 PolarHBondContact O-N 3.48Å; Q43-K46 PolarHBondContact O-N 3.15Å; Q43-V47 HydrophobicContact CG-CG2 4.33Å; Q43-V47 WeakPolarHBondContact O-CB 3.43Å; Q43-V47 VanDerWaalsContact O-CG2 3.24Å; Q43-V47 WeakPolarHBondContact O-CG2 3.34Å; Q43-V47 PolarHBondContact O-N 3.33Å
44E85.5Confident78.7Confident72 Ų7263 Ų6334%0.33636%0.362SS..Hα-helixtrans-66.8-39.7179.7-64.3-166.816300111.7D42 V47 S48 I177 S178D42-E44 PolarHBondContact O-N 2.97Å; E44-V47 PolarHBondContact O-N 3.02Å; E44-S48 VanDerWaalsContact O-CB 3.24Å; E44-S48 WeakPolarHBondContact O-CB 3.39Å; E44-S48 PolarHBondContact O-N 2.9Å; E44-S48 PolarHBondContact O-OG 3.16Å; E44-I177 HydrophobicContact CG-CG2 3.88Å; E44-S178 PolarHBondContact OE1-OG 3.45Å; E44-S178 PolarHBondContact OE2-OG 3.11Å
45V91.4Very high80.3Confident75 Ų7561 Ų6146%0.45534%0.336SS..Hα-helixtrans-66.4-45.3176.11770000110.6D42 V47 S48 L49 L174D42-V45 PolarHBondContact O-N 2.9Å; V45-V47 PolarHBondContact O-N 3.26Å; V45-S48 PolarHBondContact O-N 3.45Å; V45-L49 HydrophobicContact CG1-CD1 3.84Å; V45-L49 HydrophobicContact CG1-CG 4.31Å; V45-L49 WeakPolarHBondContact O-CB 3.06Å; V45-L49 WeakPolarHBondContact O-CG 3.5Å; V45-L49 PolarHBondContact O-N 3.29Å; V45-L174 HydrophobicContact CG2-CD2 4.21Å
46K91.1Very high81.9Confident92 Ų9258 Ų5840%0.432%0.322SS..Hα-helixtrans-57.6-48.2175.9174.1-176.3167.3-1750111.5T31 D42 Q43 A50T31-K46 HydrophobicContact CG2-CD 4.23Å; T31-K46 HydrophobicContact CG2-CG 3.87Å; D42-K46 WeakPolarHBondContact O-CB 3.45Å; D42-K46 PolarHBondContact O-N 3.4Å; Q43-K46 PolarHBondContact O-N 3.15Å; K46-A50 VanDerWaalsContact O-CB 3.32Å; K46-A50 WeakPolarHBondContact O-CB 3.39Å; K46-A50 PolarHBondContact O-N 3.27Å
47V91.9Very high83.8Confident15 Ų1557.4 Ų57.49%0.09133%0.327CS..Hα-helixtrans-63.9-48.4178.6173.40000110A32 Q43 E44 V45 L49 A50 F51 I177A32-V47 HydrophobicContact CB-CG2 4.11Å; Q43-V47 HydrophobicContact CG-CG2 4.33Å; Q43-V47 WeakPolarHBondContact O-CB 3.43Å; Q43-V47 VanDerWaalsContact O-CG2 3.24Å; Q43-V47 WeakPolarHBondContact O-CG2 3.34Å; Q43-V47 PolarHBondContact O-N 3.33Å; E44-V47 PolarHBondContact O-N 3.02Å; V45-V47 PolarHBondContact O-N 3.26Å; V47-L49 PolarHBondContact O-N 2.85Å; V47-A50 PolarHBondContact O-N 3.33Å; V47-A50 VanDerWaalsContact O-N 3.14Å; V47-F51 HydrophobicContact CG1-CD2 3.71Å; V47-F51 HydrophobicContact CG1-CE2 3.67Å; V47-F51 VanDerWaalsContact O-CD2 3.3Å; V47-F51 WeakPolarHBondContact O-CD2 3.39Å; V47-F51 PolarHBondContact O-N 2.95Å; V47-I177 HydrophobicContact CB-CD1 4.04Å; V47-I177 HydrophobicContact CG1-CD1 3.73Å
48S95.2Very high85.8Confident0 Ų051 Ų510%029%0.292CS..Hα-helixtrans-58.4-45.7179.9-57.80000112.5E44 V45 G52 H173 L174 I177E44-S48 VanDerWaalsContact O-CB 3.24Å; E44-S48 WeakPolarHBondContact O-CB 3.39Å; E44-S48 PolarHBondContact O-N 2.9Å; E44-S48 PolarHBondContact O-OG 3.16Å; V45-S48 PolarHBondContact O-N 3.45Å; S48-G52 PolarHBondContact O-N 2.92Å; S48-H173 VanDerWaalsContact OG-CB 3.27Å; S48-H173 WeakPolarHBondContact OG-CB 3.33Å; S48-L174 WeakPolarHBondContact OG-CD2 3.35Å; S48-L174 PolarHBondContact OG-N 2.98Å; S48-I177 WeakPolarHBondContact OG-CD1 3.19Å
49L96.4Very high87.8Confident77 Ų7749.8 Ų49.840%0.40329%0.287SS..Hα-helixtrans-64.1-42.7175.5-74.8173000111.7V45 V47 F51 G52 L53V45-L49 HydrophobicContact CG1-CD1 3.84Å; V45-L49 HydrophobicContact CG1-CG 4.31Å; V45-L49 WeakPolarHBondContact O-CB 3.06Å; V45-L49 WeakPolarHBondContact O-CG 3.5Å; V45-L49 PolarHBondContact O-N 3.29Å; V47-L49 PolarHBondContact O-N 2.85Å; L49-F51 PolarHBondContact O-N 3.41Å; L49-G52 PolarHBondContact O-N 3.34Å; L49-L53 HydrophobicContact CB-CD1 4.49Å; L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.31Å
50A96.1Very high89.9Confident23 Ų2348.5 Ų48.519%0.1927%0.271CS..Hα-helixtrans-63.4-43.9-179.700000112.5T31 K46 V47 A54T31-A50 HydrophobicContact CG2-CB 3.63Å; K46-A50 VanDerWaalsContact O-CB 3.32Å; K46-A50 WeakPolarHBondContact O-CB 3.39Å; K46-A50 PolarHBondContact O-N 3.27Å; V47-A50 PolarHBondContact O-N 3.33Å; V47-A50 VanDerWaalsContact O-N 3.14Å; A50-A54 WeakPolarHBondContact O-CB 3.38Å; A50-A54 PolarHBondContact O-N 3.49Å
51F97.8Very high91.8Very high0 Ų049.7 Ų49.70%028%0.277CS..Hα-helixtrans-64.6-46.1174.7-84.6-102.2000111.7F24 S28 V47 L49 I55 V169 H173 R188F24-F51 HydrophobicContact CE2-CB 4.45Å; F24-F51 AromaticContact CE2-CD1 3.71Å; F24-F51 HydrophobicContact CE2-CD1 3.71Å; F24-F51 HydrophobicContact CE2-CE1 4.42Å; F24-F51 HydrophobicContact CE2-CG 4.39Å; F24-F51 AromaticContact CZ-CD1 3.63Å; F24-F51 HydrophobicContact CZ-CD1 3.63Å; F24-F51 HydrophobicContact CZ-CE1 4.14Å; S28-F51 VanDerWaalsContact CB-CE2 3.49Å; S28-F51 VanDerWaalsContact CB-CZ 3.47Å; V47-F51 HydrophobicContact CG1-CD2 3.71Å; V47-F51 HydrophobicContact CG1-CE2 3.67Å; V47-F51 VanDerWaalsContact O-CD2 3.3Å; V47-F51 WeakPolarHBondContact O-CD2 3.39Å; V47-F51 PolarHBondContact O-N 2.95Å; L49-F51 PolarHBondContact O-N 3.41Å; F51-I55 WeakPolarHBondContact O-CG1 3.38Å; F51-I55 PolarHBondContact O-N 3.48Å; F51-V169 HydrophobicContact CB-CG1 4.2Å; F51-H173 AromaticContact CD1-CE1 3.6Å; F51-H173 AromaticContact CD1-NE2 3.09Å; F51-H173 WeakPolarHBondContact CD1-NE2 3.45Å; F51-H173 AromaticContact CD2-CD2 3.96Å; F51-H173 AromaticContact CD2-NE2 3.81Å; F51-H173 AromaticContact CE1-NE2 3.62Å; F51-H173 AromaticContact CG-CD2 3.7Å; F51-H173 AromaticContact CG-CE1 3.75Å; F51-H173 AromaticContact CG-NE2 3.19Å; F51-H173 WeakPolarHBondContact CG-NE2 3.24Å; F51-R188 HydrophobicContact CE1-CG 4.04Å
52G98.4Very high93.8Very high2 Ų245.3 Ų45.32%0.02125%0.247CC..Hα-helixtrans-65.7-46.7-179.600000113.8S48 L49 I55 A56 G166S48-G52 PolarHBondContact O-N 2.92Å; L49-G52 PolarHBondContact O-N 3.34Å; G52-I55 PolarHBondContact O-N 3.31Å; G52-A56 PolarHBondContact O-N 3.38Å; G52-G166 CarbonylContact C-O 3.4Å; G52-G166 WeakPolarHBondContact CA-O 3.4Å; G52-G166 CarbonylContact O-C 3.18Å; G52-G166 WeakPolarHBondContact O-CA 3.44Å
53L98.5Very high95.3Very high90 Ų9042.2 Ų42.247%0.47124%0.236SC..Hα-helixtrans-67.2-37.6178.8-67.4175.9000111.7L49 I55 A56 T57L49-L53 HydrophobicContact CB-CD1 4.49Å; L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.31Å; L53-I55 VanDerWaalsContact C-N 3.31Å; L53-I55 PolarHBondContact O-N 2.94Å; L53-A56 PolarHBondContact O-N 3.1Å; L53-T57 WeakPolarHBondContact O-CB 3.29Å; L53-T57 PolarHBondContact O-N 3.05Å; L53-T57 PolarHBondContact O-OG1 2.91Å
54A98.5Very high96.2Very high8 Ų846.3 Ų46.37%0.06626%0.255CS..Hα-helixtrans-58.8-44.4173.700000111.3F24 A50 T57 L58F24-A54 HydrophobicContact CD2-CB 3.88Å; F24-A54 HydrophobicContact CE2-CB 4.45Å; A50-A54 WeakPolarHBondContact O-CB 3.38Å; A50-A54 PolarHBondContact O-N 3.49Å; A54-T57 PolarHBondContact O-N 3Å; A54-L58 VanDerWaalsContact O-CB 3.32Å; A54-L58 WeakPolarHBondContact O-CB 3.31Å; A54-L58 WeakPolarHBondContact O-CD1 3.36Å; A54-L58 WeakPolarHBondContact O-CG 3.36Å; A54-L58 PolarHBondContact O-N 2.81Å
55I98.6Very high96.7Very high15 Ų1546.4 Ų46.48%0.07726%0.257CS..Hα-helixtrans-66.1-43.5175.3-67.7-67.8000111.6F24 F51 G52 L53 T57 L58 A59 L70 I165 V169F24-I55 HydrophobicContact CD1-CD1 4.17Å; F24-I55 HydrophobicContact CD2-CD1 3.82Å; F24-I55 HydrophobicContact CD2-CG1 3.99Å; F24-I55 HydrophobicContact CE1-CD1 4.12Å; F24-I55 HydrophobicContact CE2-CD1 3.77Å; F24-I55 HydrophobicContact CE2-CG1 3.62Å; F24-I55 HydrophobicContact CG-CD1 4.02Å; F24-I55 HydrophobicContact CZ-CD1 3.91Å; F24-I55 HydrophobicContact CZ-CG1 4Å; F51-I55 WeakPolarHBondContact O-CG1 3.38Å; F51-I55 PolarHBondContact O-N 3.48Å; G52-I55 PolarHBondContact O-N 3.31Å; L53-I55 VanDerWaalsContact C-N 3.31Å; L53-I55 PolarHBondContact O-N 2.94Å; I55-T57 VanDerWaalsContact C-N 3.33Å; I55-T57 PolarHBondContact O-N 2.97Å; I55-L58 PolarHBondContact O-N 3.4Å; I55-A59 WeakPolarHBondContact O-CB 3.35Å; I55-A59 PolarHBondContact O-N 3.48Å; I55-L70 HydrophobicContact CD1-CB 4.27Å; I55-L70 HydrophobicContact CD1-CD1 4.23Å; I55-I165 HydrophobicContact CG2-CG2 3.83Å; I55-V169 HydrophobicContact CB-CG2 4.21Å; I55-V169 HydrophobicContact CG1-CG1 4.22Å; I55-V169 HydrophobicContact CG1-CG2 4.1Å; I55-V169 HydrophobicContact CG2-CG2 4Å
56A98.6Very high97Very high10 Ų1043.1 Ų43.18%0.08324%0.237CC..Hα-helixtrans-57.1-47.4175.900000111.8G52 L53 Q60 P162 L163G52-A56 PolarHBondContact O-N 3.38Å; L53-A56 PolarHBondContact O-N 3.1Å; A56-Q60 VanDerWaalsContact O-CB 3.3Å; A56-Q60 WeakPolarHBondContact O-CB 3.46Å; A56-Q60 PolarHBondContact O-N 2.89Å; A56-P162 WeakPolarHBondContact CA-O 3.46Å; A56-P162 WeakPolarHBondContact O-CB 3.49Å; A56-L163 HydrophobicContact CB-CD1 4.31Å
57T98.7Very high97.2Very high85 Ų8541 Ų4152%0.52124%0.241SC..Hα-helixtrans-63.7-49.8178.7-61.20000111.2L53 A54 I55 Q60 S61L53-T57 WeakPolarHBondContact O-CB 3.29Å; L53-T57 PolarHBondContact O-N 3.05Å; L53-T57 PolarHBondContact O-OG1 2.91Å; A54-T57 PolarHBondContact O-N 3Å; I55-T57 VanDerWaalsContact C-N 3.33Å; I55-T57 PolarHBondContact O-N 2.97Å; T57-Q60 WeakPolarHBondContact O-CB 3.5Å; T57-Q60 PolarHBondContact O-N 3.41Å; T57-S61 WeakPolarHBondContact O-CB 3.17Å; T57-S61 PolarHBondContact O-N 3.33Å; T57-S61 PolarHBondContact O-OG 2.96Å
58L98.6Very high97.5Very high12 Ų1240.9 Ų40.96%0.06324%0.242CC..Hα-helixtrans-70.2-35.3-176.6-67.4168000112.4G20 L23 F24 A54 I55 Q60 S61 L62 L70G20-L58 WeakPolarHBondContact O-CD1 3.49Å; L23-L58 HydrophobicContact CB-CD1 4.38Å; L23-L58 HydrophobicContact CB-CD2 4.06Å; L23-L58 HydrophobicContact CD1-CD2 4.02Å; F24-L58 HydrophobicContact CB-CD1 3.56Å; A54-L58 VanDerWaalsContact O-CB 3.32Å; A54-L58 WeakPolarHBondContact O-CB 3.31Å; A54-L58 WeakPolarHBondContact O-CD1 3.36Å; A54-L58 WeakPolarHBondContact O-CG 3.36Å; A54-L58 PolarHBondContact O-N 2.81Å; I55-L58 PolarHBondContact O-N 3.4Å; L58-Q60 VanDerWaalsContact C-N 3.31Å; L58-S61 PolarHBondContact O-N 3.47Å; L58-L62 HydrophobicContact CD2-CD1 4.23Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 PolarHBondContact O-N 3.44Å; L58-L70 HydrophobicContact CB-CD1 3.68Å; L58-L70 HydrophobicContact CD1-CD1 4Å; L58-L70 HydrophobicContact CG-CD1 4.47Å
59A98.4Very high97.7Very high11 Ų1141.7 Ų41.79%0.09125%0.246CC..Hα-helixtrans-64-38.8171.300000111.4I55 G63 A68 P162I55-A59 WeakPolarHBondContact O-CB 3.35Å; I55-A59 PolarHBondContact O-N 3.48Å; A59-G63 WeakPolarHBondContact O-CA 3.37Å; A59-G63 PolarHBondContact O-N 3.47Å; A59-A68 HydrophobicContact CB-CB 4.22Å; A59-P162 HydrophobicContact CB-CB 3.86Å; A59-P162 HydrophobicContact CB-CG 4.39Å
60Q98.3Very high97.8Very high118 Ų11838.1 Ų38.155%0.55123%0.227SC*.Hα-helixtrans-66.4-40174.3-174.763.757.400111.8A56 T57 L58 P162A56-Q60 VanDerWaalsContact O-CB 3.3Å; A56-Q60 WeakPolarHBondContact O-CB 3.46Å; A56-Q60 PolarHBondContact O-N 2.89Å; T57-Q60 WeakPolarHBondContact O-CB 3.5Å; T57-Q60 PolarHBondContact O-N 3.41Å; L58-Q60 VanDerWaalsContact C-N 3.31Å; Q60-P162 HydrophobicContact CB-CB 3.91Å; Q60-P162 HydrophobicContact CB-CG 4.17Å
61S98.4Very high97.9Very high62 Ų6237.3 Ų37.343%0.43422%0.22SC..Hα-helixtrans-80.1-37.8-176.2-60.80000114T57 L58 H64T57-S61 WeakPolarHBondContact O-CB 3.17Å; T57-S61 PolarHBondContact O-N 3.33Å; T57-S61 PolarHBondContact O-OG 2.96Å; L58-S61 PolarHBondContact O-N 3.47Å; S61-H64 PolarHBondContact O-CE1 2.83Å; S61-H64 PolarHBondContact O-ND1 2.73Å
62L98.1Very high97.9Very high27 Ų2737.3 Ų37.314%0.14122%0.22CC..Hα-helixtrans-117.8-8.1-169.4-56.7176.2000113.2G20 L58 H64 I65 S66 A68G20-L62 VanDerWaalsContact CA-CD1 3.48Å; L58-L62 HydrophobicContact CD2-CD1 4.23Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 PolarHBondContact O-N 3.44Å; L62-H64 VanDerWaalsContact C-N 3.3Å; L62-H64 PolarHBondContact O-N 3.35Å; L62-I65 HydrophobicContact CD2-CD1 4.26Å; L62-I65 PolarHBondContact O-N 2.88Å; L62-S66 PolarHBondContact O-N 3.43Å; L62-S66 PolarHBondContact O-OG 2.84Å; L62-S66 VanDerWaalsContact O-OG 3.14Å; L62-A68 HydrophobicContact CB-CB 4.46Å
63G96.5Very high98Very high23 Ų2337.2 Ų37.224%0.23722%0.219CC..Hα-helixtrans-60.6-37-176.800000113.2A59 I65 G67A59-G63 WeakPolarHBondContact O-CA 3.37Å; A59-G63 PolarHBondContact O-N 3.47Å; G63-I65 PolarHBondContact O-N 2.9Å; G63-G67 VanDerWaalsContact O-CA 3.23Å; G63-G67 WeakPolarHBondContact O-CA 3.32Å; G63-G67 PolarHBondContact O-N 3.48Å
64H94.8Very high98Very high156 Ų15633.2 Ų33.272%0.72220%0.198SC*.Hα-helixtrans-70.2-16.2176.268.4-82.5000113.8S61 L62S61-H64 PolarHBondContact O-CE1 2.83Å; S61-H64 PolarHBondContact O-ND1 2.73Å; L62-H64 VanDerWaalsContact C-N 3.3Å; L62-H64 PolarHBondContact O-N 3.35Å
65I96.8Very high98Very high73 Ų7332.9 Ų32.937%0.37420%0.195SC..Hα-helixtrans-94.5-46.1179.6-52.2177.2000110.6R12 A13 A16 L62 G63R12-I65 HydrophobicContact CB-CG2 4.45Å; A13-I65 WeakPolarHBondContact CB-O 3.44Å; A16-I65 HydrophobicContact CB-CB 4.28Å; A16-I65 HydrophobicContact CB-CG2 3.92Å; L62-I65 HydrophobicContact CD2-CD1 4.26Å; L62-I65 PolarHBondContact O-N 2.88Å; G63-I65 PolarHBondContact O-N 2.9Å
66S96.7Very high98Very high6 Ų634.5 Ų34.54%0.04220%0.204CC..Hα-helixtrans-122.6-15.2-169.157.60000114.9A13 L62 A68 Y92A13-S66 WeakPolarHBondContact O-CB 3.28Å; L62-S66 PolarHBondContact O-N 3.43Å; L62-S66 PolarHBondContact O-OG 2.84Å; L62-S66 VanDerWaalsContact O-OG 3.14Å; S66-A68 PolarHBondContact OG-N 2.65Å; S66-Y92 WeakPolarHBondContact CA-OH 3.42Å; S66-Y92 VanDerWaalsContact O-CE2 3.29Å; S66-Y92 WeakPolarHBondContact O-CE2 3.31Å; S66-Y92 PolarHBondContact O-OH 3.41Å
67G96.3Very high98Very high47 Ų4734 Ų3449%0.48520%0.2SC..  trans83.8-9.8-160.800000113.5G63 H69G63-G67 VanDerWaalsContact O-CA 3.23Å; G63-G67 WeakPolarHBondContact O-CA 3.32Å; G63-G67 PolarHBondContact O-N 3.48Å; G67-H69 PolarHBondContact O-N 2.73Å
68A97.8Very high97.9Very high13 Ų1330.7 Ų30.711%0.10718%0.178CC..  trans48.156.2177.800000113.1E17 A59 L62 S66 L70E17-A68 WeakPolarHBondContact OE1-CA 3.39Å; A59-A68 HydrophobicContact CB-CB 4.22Å; L62-A68 HydrophobicContact CB-CB 4.46Å; S66-A68 PolarHBondContact OG-N 2.65Å; A68-L70 HydrophobicContact CB-CG 4.46Å
69H98.7Very high97.8Very high18 Ų1831.5 Ų31.58%0.08318%0.183CC..  trans-64.6-48.5177.1-70.3-161.5000110.5E17 G67 N71 V74 T75 Y92E17-H69 PolarHBondContact OE1-N 2.98Å; G67-H69 PolarHBondContact O-N 2.73Å; H69-N71 VanDerWaalsContact O-CB 3.31Å; H69-N71 WeakPolarHBondContact O-CB 3.17Å; H69-N71 PolarHBondContact O-N 3.44Å; H69-V74 HydrophobicContact CB-CG1 4.3Å; H69-T75 WeakPolarHBondContact CB-OG1 3.36Å; H69-T75 WeakPolarHBondContact ND1-CA 3.47Å; H69-T75 PolarHBondContact ND1-OG1 3.14Å; H69-T75 VanDerWaalsContact ND1-OG1 3.1Å; H69-Y92 HydrophobicContact CB-CD2 4.29Å; H69-Y92 AromaticContact CG-CD2 3.99Å; H69-Y92 AromaticContact ND1-CD2 3.75Å
70L98.7Very high97.7Very high1 Ų132.5 Ų32.51%0.00519%0.19CC..  trans48.124.2176.6-51.9-177.8000113.7E17 M21 I55 L58 A68 N185E17-L70 PolarHBondContact OE1-N 3.46Å; E17-L70 WeakPolarHBondContact OE2-CA 3.49Å; E17-L70 PolarHBondContact OE2-N 3.3Å; M21-L70 HydrophobicContact CB-CD2 4.5Å; M21-L70 HydrophobicContact SD-CB 4.39Å; I55-L70 HydrophobicContact CD1-CB 4.27Å; I55-L70 HydrophobicContact CD1-CD1 4.23Å; L58-L70 HydrophobicContact CB-CD1 3.68Å; L58-L70 HydrophobicContact CD1-CD1 4Å; L58-L70 HydrophobicContact CG-CD1 4.47Å; A68-L70 HydrophobicContact CB-CG 4.46Å; L70-N185 PolarHBondContact O-ND2 2.73Å
71N98.8Very high97.5Very high7 Ų726.9 Ų26.94%0.03717%0.165CC..SBendtrans-165.1122.9-169.9-176.6-20.1000109.9H69 A73 V74 T75 I184 N185 P186H69-N71 VanDerWaalsContact O-CB 3.31Å; H69-N71 WeakPolarHBondContact O-CB 3.17Å; H69-N71 PolarHBondContact O-N 3.44Å; N71-A73 VanDerWaalsContact C-N 3.3Å; N71-A73 PolarHBondContact O-N 3.47Å; N71-A73 WeakPolarHBondContact OD1-CB 3.41Å; N71-A73 PolarHBondContact OD1-N 2.81Å; N71-V74 HydrophobicContact CB-CB 3.96Å; N71-V74 HydrophobicContact CB-CG2 3.73Å; N71-V74 PolarHBondContact O-N 3.21Å; N71-T75 PolarHBondContact O-N 2.88Å; N71-T75 PolarHBondContact O-OG1 3.02Å; N71-I184 PolarHBondContact ND2-O 3.14Å; N71-N185 HydrophobicContact CB-CB 4.37Å; N71-N185 WeakPolarHBondContact CB-ND2 3.14Å; N71-N185 VanDerWaalsContact CG-CG 3.48Å; N71-N185 WeakPolarHBondContact ND2-CB 3.19Å; N71-N185 WeakPolarHBondContact OD1-CA 3.32Å; N71-P186 WeakPolarHBondContact OD1-CD 3.46Å
72P98.9Very high97.2Very high0 Ų024.8 Ų24.80%015%0.15CC..Hα-helixtrans-59.6-35.7176-29.336.9000114.3T75 L76 I93 Q96 N185 P186 A187 M210P72-T75 PolarHBondContact O-N 2.95Å; P72-L76 WeakPolarHBondContact O-CB 3.41Å; P72-L76 PolarHBondContact O-N 3.33Å; P72-I93 HydrophobicContact CB-CD1 4.42Å; P72-I93 HydrophobicContact CB-CG1 3.98Å; P72-I93 HydrophobicContact CB-CG2 4.23Å; P72-I93 HydrophobicContact CG-CG1 4.49Å; P72-I93 HydrophobicContact CG-CG2 4.25Å; P72-Q96 VanDerWaalsContact CD-OE1 3.24Å; P72-N185 WeakPolarHBondContact CD-OD1 3.37Å; P72-P186 HydrophobicContact CB-CB 4.2Å; P72-P186 HydrophobicContact CB-CG 4.12Å; P72-P186 HydrophobicContact CG-CB 4.18Å; P72-A187 HydrophobicContact CG-CB 3.63Å; P72-M210 HydrophobicContact CB-CE 3.61Å; P72-M210 HydrophobicContact CB-SD 4.4Å
73A98.8Very high96.9Very high0 Ų025.9 Ų25.90%015%0.154CC..Hα-helixtrans-70.4-38.117900000112.5N71 L76 G77 T139 P186 P209 M210N71-A73 VanDerWaalsContact C-N 3.3Å; N71-A73 PolarHBondContact O-N 3.47Å; N71-A73 WeakPolarHBondContact OD1-CB 3.41Å; N71-A73 PolarHBondContact OD1-N 2.81Å; A73-L76 PolarHBondContact O-N 3.03Å; A73-G77 PolarHBondContact O-N 2.9Å; A73-T139 HydrophobicContact CB-CG2 3.7Å; A73-P186 HydrophobicContact CB-CG 4.49Å; A73-P209 HydrophobicContact CB-CB 3.84Å; A73-P209 WeakPolarHBondContact CB-O 3.4Å; A73-M210 HydrophobicContact CB-SD 4.37Å
74V98.8Very high96.8Very high6 Ų625.1 Ų25.14%0.03615%0.145CC..Hα-helixtrans-64.2-45.4171175.60000109.7H69 N71 L76 G77 M78 L142 V143 V146H69-V74 HydrophobicContact CB-CG1 4.3Å; N71-V74 HydrophobicContact CB-CB 3.96Å; N71-V74 HydrophobicContact CB-CG2 3.73Å; N71-V74 PolarHBondContact O-N 3.21Å; V74-L76 VanDerWaalsContact C-N 3.32Å; V74-L76 PolarHBondContact O-N 2.83Å; V74-G77 PolarHBondContact O-N 3.29Å; V74-G77 VanDerWaalsContact O-N 3.14Å; V74-M78 HydrophobicContact CG1-CG 4.33Å; V74-M78 VanDerWaalsContact O-CG 3.31Å; V74-M78 WeakPolarHBondContact O-CG 3.41Å; V74-M78 PolarHBondContact O-N 3.39Å; V74-L142 HydrophobicContact CG2-CD2 4.31Å; V74-L142 HydrophobicContact CG2-CG 4.48Å; V74-V143 HydrophobicContact CG2-CG2 4.02Å; V74-V146 HydrophobicContact CG1-CG1 3.99Å; V74-V146 HydrophobicContact CG1-CG2 4.37Å
75T98.8Very high96.8Very high0 Ų017.7 Ų17.70%011%0.11CC..Hα-helixtrans-58.8-44177.9-55.70000112H69 N71 P72 M78 L79 I84 A89 I93 Q96H69-T75 WeakPolarHBondContact CB-OG1 3.36Å; H69-T75 WeakPolarHBondContact ND1-CA 3.47Å; H69-T75 PolarHBondContact ND1-OG1 3.14Å; H69-T75 VanDerWaalsContact ND1-OG1 3.1Å; N71-T75 PolarHBondContact O-N 2.88Å; N71-T75 PolarHBondContact O-OG1 3.02Å; P72-T75 PolarHBondContact O-N 2.95Å; T75-M78 PolarHBondContact O-N 3.46Å; T75-L79 WeakPolarHBondContact O-CB 3.46Å; T75-L79 PolarHBondContact O-N 2.99Å; T75-I84 HydrophobicContact CG2-CD1 3.73Å; T75-A89 HydrophobicContact CG2-CB 3.88Å; T75-I93 HydrophobicContact CG2-CD1 4.44Å; T75-I93 HydrophobicContact CG2-CG1 4.14Å; T75-Q96 PolarHBondContact OG1-NE2 2.99Å
76L98.6Very high96.8Very high50 Ų5017.7 Ų17.726%0.26211%0.113SC..Hα-helixtrans-66.8-38.8176.1-174.461.6000112.1P72 A73 V74 L79 A80 M210 V214P72-L76 WeakPolarHBondContact O-CB 3.41Å; P72-L76 PolarHBondContact O-N 3.33Å; A73-L76 PolarHBondContact O-N 3.03Å; V74-L76 VanDerWaalsContact C-N 3.32Å; V74-L76 PolarHBondContact O-N 2.83Å; L76-L79 HydrophobicContact CD1-CD2 4.22Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 3.24Å; L76-A80 WeakPolarHBondContact O-CB 3.02Å; L76-A80 PolarHBondContact O-N 2.84Å; L76-M210 HydrophobicContact CB-SD 4.09Å; L76-M210 HydrophobicContact CD2-CB 3.9Å; L76-M210 HydrophobicContact CD2-CG 4.24Å; L76-M210 HydrophobicContact CD2-SD 3.58Å; L76-M210 VanDerWaalsContact CD2-SD 3.58Å; L76-M210 HydrophobicContact CG-SD 4.49Å; L76-V214 HydrophobicContact CD2-CG2 3.67Å; L76-V214 HydrophobicContact CG-CG2 3.72Å
77G98.1Very high96.7Very high0 Ų019.7 Ų19.70%012%0.121CC..Hα-helixtrans-60.8-44.9173.300000112.7A73 V74 L79 A80 S81 A217A73-G77 PolarHBondContact O-N 2.9Å; V74-G77 PolarHBondContact O-N 3.29Å; V74-G77 VanDerWaalsContact O-N 3.14Å; G77-L79 VanDerWaalsContact C-N 3.32Å; G77-L79 PolarHBondContact O-N 2.81Å; G77-A80 PolarHBondContact O-N 3.39Å; G77-S81 WeakPolarHBondContact O-CB 3.37Å; G77-S81 PolarHBondContact O-N 3.03Å; G77-A217 VanDerWaalsContact O-CB 3.28Å; G77-A217 WeakPolarHBondContact O-CB 3.29Å
78M97.5Very high96.7Very high14 Ų1418.1 Ų18.17%0.06910%0.101CC..Hα-helixtrans-64.8-36.4175.7-64.2-60.9-78.600112V74 T75 S81 C82 Q83 I84 V146 I147V74-M78 HydrophobicContact CG1-CG 4.33Å; V74-M78 VanDerWaalsContact O-CG 3.31Å; V74-M78 WeakPolarHBondContact O-CG 3.41Å; V74-M78 PolarHBondContact O-N 3.39Å; T75-M78 PolarHBondContact O-N 3.46Å; M78-S81 PolarHBondContact O-N 3.45Å; M78-C82 PolarHBondContact O-N 3.1Å; M78-Q83 HydrophobicContact CE-CB 4.02Å; M78-Q83 HydrophobicContact CE-CG 4.4Å; M78-Q83 PolarHBondContact O-N 3.49Å; M78-I84 HydrophobicContact CB-CD1 4.41Å; M78-I84 HydrophobicContact CB-CG1 4.29Å; M78-V146 HydrophobicContact SD-CG1 4.12Å; M78-I147 HydrophobicContact SD-CG1 4.1Å
79L96.9Very high96.7Very high30 Ų3017.6 Ų17.616%0.15710%0.097CC..Hα-helixtrans-64.3-47.3172.6-176.468.1000111.2T75 L76 G77 S81 C82 I84 V86 A89 L238T75-L79 WeakPolarHBondContact O-CB 3.46Å; T75-L79 PolarHBondContact O-N 2.99Å; L76-L79 HydrophobicContact CD1-CD2 4.22Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 3.24Å; G77-L79 VanDerWaalsContact C-N 3.32Å; G77-L79 PolarHBondContact O-N 2.81Å; L79-S81 PolarHBondContact O-N 3.35Å; L79-C82 WeakPolarHBondContact O-CA 3.38Å; L79-C82 PolarHBondContact O-N 3.49Å; L79-I84 HydrophobicContact CB-CD1 4.26Å; L79-I84 HydrophobicContact CB-CG1 4.04Å; L79-I84 HydrophobicContact CD1-CG1 4.17Å; L79-I84 WeakPolarHBondContact CD1-O 3.23Å; L79-V86 HydrophobicContact CD1-CB 4.47Å; L79-V86 HydrophobicContact CD1-CG2 3.94Å; L79-V86 HydrophobicContact CD2-CG2 4.48Å; L79-A89 HydrophobicContact CB-CB 4.36Å; L79-A89 HydrophobicContact CD1-CB 4.15Å; L79-A89 HydrophobicContact CD2-CB 3.97Å; L79-A89 HydrophobicContact CG-CB 4.4Å; L79-L238 HydrophobicContact CD1-CD2 3.65Å; L79-L238 HydrophobicContact CG-CD2 4.3Å; L79-L238 WeakPolarHBondContact O-CD2 3.49Å
80A96.1Very high96.7Very high31 Ų3120.1 Ų20.126%0.25611%0.113SC..Hα-helixtrans-62.5-31.2176.900000112.4L76 G77 C82 V214 A217L76-A80 WeakPolarHBondContact O-CB 3.02Å; L76-A80 PolarHBondContact O-N 2.84Å; G77-A80 PolarHBondContact O-N 3.39Å; A80-C82 PolarHBondContact O-N 2.58Å; A80-V214 HydrophobicContact CB-CG1 4.48Å; A80-A217 HydrophobicContact CB-CB 3.88Å
81S93.8Very high96.7Very high1 Ų122.2 Ų22.21%0.00712%0.124CC..THydrogen-bonded Turntrans-75.5-1.7172.7-170.10000113.7G77 M78 L79 Q83 D221 K227 R234G77-S81 WeakPolarHBondContact O-CB 3.37Å; G77-S81 PolarHBondContact O-N 3.03Å; M78-S81 PolarHBondContact O-N 3.45Å; L79-S81 PolarHBondContact O-N 3.35Å; S81-Q83 VanDerWaalsContact C-N 3.31Å; S81-Q83 PolarHBondContact O-N 2.93Å; S81-Q83 PolarHBondContact OG-NE2 2.9Å; S81-D221 WeakPolarHBondContact CA-OD2 3.17Å; S81-D221 VanDerWaalsContact CB-OD2 3.28Å; S81-D221 WeakPolarHBondContact CB-OD2 3.4Å; S81-D221 PolarHBondContact OG-OD1 3.14Å; S81-D221 PolarHBondContact OG-OD2 2.95Å; S81-K227 PolarHBondContact OG-NZ 3.11Å; S81-K227 VanDerWaalsContact OG-NZ 3.11Å; S81-R234 PolarHBondContact O-NH2 3.34Å
82C92.4Very high96.7Very high18 Ų1821.9 Ų21.912%0.12212%0.122CC..THydrogen-bonded Turntrans58.638-175-57.80000113M78 L79 A80 R234 V237 L238M78-C82 PolarHBondContact O-N 3.1Å; L79-C82 WeakPolarHBondContact O-CA 3.38Å; L79-C82 PolarHBondContact O-N 3.49Å; A80-C82 PolarHBondContact O-N 2.58Å; C82-R234 HydrophobicContact CB-CB 4.14Å; C82-R234 WeakPolarHBondContact CB-O 3.27Å; C82-V237 WeakPolarHBondContact O-CB 3.2Å; C82-V237 VanDerWaalsContact O-CG1 3.3Å; C82-V237 WeakPolarHBondContact O-CG1 3.21Å; C82-L238 HydrophobicContact CB-CD2 4.39Å
83Q91.3Very high96.7Very high49 Ų4923.7 Ų23.723%0.22913%0.131CC..  trans-100.3-13.6-179.6-60.7-166.540.500113.7M78 S81 P242M78-Q83 HydrophobicContact CE-CB 4.02Å; M78-Q83 HydrophobicContact CE-CG 4.4Å; M78-Q83 PolarHBondContact O-N 3.49Å; S81-Q83 VanDerWaalsContact C-N 3.31Å; S81-Q83 PolarHBondContact O-N 2.93Å; S81-Q83 PolarHBondContact OG-NE2 2.9Å; Q83-P242 WeakPolarHBondContact O-CG 3.43Å
84I94.4Very high96.7Very high8 Ų827 Ų274%0.04115%0.151CC..SBendtrans-136.2160.5175.860.8165.5000110.3T75 M78 L79 K88 A89T75-I84 HydrophobicContact CG2-CD1 3.73Å; M78-I84 HydrophobicContact CB-CD1 4.41Å; M78-I84 HydrophobicContact CB-CG1 4.29Å; L79-I84 HydrophobicContact CB-CD1 4.26Å; L79-I84 HydrophobicContact CB-CG1 4.04Å; L79-I84 HydrophobicContact CD1-CG1 4.17Å; L79-I84 WeakPolarHBondContact CD1-O 3.23Å; I84-K88 HydrophobicContact CB-CD 4.38Å; I84-K88 HydrophobicContact CG2-CD 4.31Å; I84-A89 HydrophobicContact CD1-CB 3.58Å; I84-A89 HydrophobicContact CG1-CB 4.42Å
85S95.4Very high96.7Very high0 Ų026.9 Ų26.90%015%0.151CC..  trans-75.4157.1171.670.20000111.8E4 F87 K88 A89 V237 L238E4-S85 VanDerWaalsContact CD-OG 3.32Å; E4-S85 WeakPolarHBondContact OE1-CB 3.37Å; E4-S85 PolarHBondContact OE1-OG 3.39Å; E4-S85 PolarHBondContact OE2-OG 3.27Å; S85-F87 PolarHBondContact O-N 3.38Å; S85-K88 PolarHBondContact O-N 3.38Å; S85-K88 VanDerWaalsContact OG-CB 3.28Å; S85-K88 WeakPolarHBondContact OG-CB 3.31Å; S85-K88 PolarHBondContact OG-N 2.82Å; S85-A89 WeakPolarHBondContact O-CB 3.28Å; S85-A89 PolarHBondContact O-N 2.96Å; S85-V237 WeakPolarHBondContact CA-O 3.38Å; S85-L238 WeakPolarHBondContact CA-O 3.46Å
86V96.3Very high96.7Very high73 Ų7326.9 Ų26.944%0.44215%0.151SC..Hα-helixtrans-58.7-39.7172.1176.20000110.4L79 A89 V90 L238L79-V86 HydrophobicContact CD1-CB 4.47Å; L79-V86 HydrophobicContact CD1-CG2 3.94Å; L79-V86 HydrophobicContact CD2-CG2 4.48Å; V86-A89 WeakPolarHBondContact O-CB 3.26Å; V86-A89 PolarHBondContact O-N 3.38Å; V86-V90 HydrophobicContact CG1-CG2 4.43Å; V86-V90 WeakPolarHBondContact O-CG2 3.28Å; V86-V90 PolarHBondContact O-N 2.87Å; V86-L238 HydrophobicContact CG2-CB 4.25Å; V86-L238 PolarHBondContact N-O 3.25Å
87F95.3Very high96.7Very high47 Ų4726.6 Ų26.621%0.20615%0.149CC..Hα-helixtrans-64.8-45.6-180-177.4-116.5000112.1T1 E4 F5 F10 S85 A89 V90 M91T1-F87 HydrophobicContact CG2-CB 4.34Å; T1-F87 HydrophobicContact CG2-CD2 4.47Å; T1-F87 HydrophobicContact CG2-CG 4.23Å; E4-F87 HydrophobicContact CB-CD1 4.21Å; F5-F87 HydrophobicContact CB-CE1 4.3Å; F5-F87 HydrophobicContact CD2-CE1 4.45Å; F5-F87 HydrophobicContact CD2-CZ 4.04Å; F10-F87 HydrophobicContact CE1-CD1 4.31Å; F10-F87 AromaticContact CE1-CE1 3.63Å; F10-F87 HydrophobicContact CE1-CE1 3.63Å; F10-F87 HydrophobicContact CE1-CZ 4.29Å; F10-F87 AromaticContact CE2-CD1 3.93Å; F10-F87 HydrophobicContact CE2-CD1 3.93Å; F10-F87 HydrophobicContact CE2-CE1 4.07Å; F10-F87 AromaticContact CZ-CD1 3.58Å; F10-F87 HydrophobicContact CZ-CD1 3.58Å; F10-F87 AromaticContact CZ-CE1 3.35Å; F10-F87 HydrophobicContact CZ-CE1 3.35Å; F10-F87 HydrophobicContact CZ-CZ 4.19Å; S85-F87 PolarHBondContact O-N 3.38Å; F87-A89 VanDerWaalsContact C-N 3.34Å; F87-A89 PolarHBondContact O-N 3.17Å; F87-V90 PolarHBondContact O-N 3.33Å; F87-M91 HydrophobicContact CD2-CG 4.38Å; F87-M91 HydrophobicContact CE1-CG 4.31Å; F87-M91 HydrophobicContact CE2-CE 4.41Å; F87-M91 HydrophobicContact CE2-CG 3.92Å; F87-M91 HydrophobicContact CE2-SD 4.22Å; F87-M91 HydrophobicContact CZ-CG 3.87Å; F87-M91 HydrophobicContact CZ-SD 4.28Å; F87-M91 WeakPolarHBondContact O-CG 3.18Å; F87-M91 PolarHBondContact O-N 3.46Å
88K95.8Very high96.7Very high15 Ų1531.3 Ų31.37%0.06517%0.174CC..Hα-helixtrans-60.4-44.6174.3-167.5173.7-171.6168.50111F10 I84 S85 V90 M91 Y92 D245 Y246F10-K88 HydrophobicContact CE2-CB 3.84Å; F10-K88 HydrophobicContact CE2-CG 3.95Å; I84-K88 HydrophobicContact CB-CD 4.38Å; I84-K88 HydrophobicContact CG2-CD 4.31Å; S85-K88 PolarHBondContact O-N 3.38Å; S85-K88 VanDerWaalsContact OG-CB 3.28Å; S85-K88 WeakPolarHBondContact OG-CB 3.31Å; S85-K88 PolarHBondContact OG-N 2.82Å; K88-V90 PolarHBondContact O-N 3.46Å; K88-M91 PolarHBondContact O-N 3.09Å; K88-Y92 HydrophobicContact CD-CE1 4.42Å; K88-Y92 WeakPolarHBondContact CE-OH 3.39Å; K88-Y92 HydrophobicContact CG-CD1 4.01Å; K88-Y92 HydrophobicContact CG-CE1 3.68Å; K88-Y92 WeakPolarHBondContact O-CB 3.49Å; K88-Y92 VanDerWaalsContact O-CD1 3.31Å; K88-Y92 WeakPolarHBondContact O-CD1 3.43Å; K88-Y92 PolarHBondContact O-N 3.27Å; K88-D245 IonicContact NZ-OD2 2.59Å; K88-D245 PolarHBondContact NZ-OD2 2.89Å; K88-Y246 WeakPolarHBondContact CD-OH 3.28Å; K88-Y246 WeakPolarHBondContact CE-OH 3.15Å; K88-Y246 PolarHBondContact NZ-OH 3.02Å
89A98Very high96.8Very high2 Ų230.7 Ų30.72%0.01717%0.17CC..Hα-helixtrans-57.2-48.317800000112.3T75 L79 I84 S85 V86 F87 Y92 I93T75-A89 HydrophobicContact CG2-CB 3.88Å; L79-A89 HydrophobicContact CB-CB 4.36Å; L79-A89 HydrophobicContact CD1-CB 4.15Å; L79-A89 HydrophobicContact CD2-CB 3.97Å; L79-A89 HydrophobicContact CG-CB 4.4Å; I84-A89 HydrophobicContact CD1-CB 3.58Å; I84-A89 HydrophobicContact CG1-CB 4.42Å; S85-A89 WeakPolarHBondContact O-CB 3.28Å; S85-A89 PolarHBondContact O-N 2.96Å; V86-A89 WeakPolarHBondContact O-CB 3.26Å; V86-A89 PolarHBondContact O-N 3.38Å; F87-A89 VanDerWaalsContact C-N 3.34Å; F87-A89 PolarHBondContact O-N 3.17Å; A89-Y92 PolarHBondContact O-N 3.18Å; A89-I93 VanDerWaalsContact O-CG1 3.3Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 3.32Å
90V98Very high96.9Very high71 Ų7129.2 Ų29.243%0.4316%0.163SC..Hα-helixtrans-63.4-46.7179.3174.40000111V86 F87 K88 Y92 I93 V94V86-V90 HydrophobicContact CG1-CG2 4.43Å; V86-V90 WeakPolarHBondContact O-CG2 3.28Å; V86-V90 PolarHBondContact O-N 2.87Å; F87-V90 PolarHBondContact O-N 3.33Å; K88-V90 PolarHBondContact O-N 3.46Å; V90-Y92 VanDerWaalsContact C-N 3.31Å; V90-Y92 PolarHBondContact O-N 2.93Å; V90-I93 PolarHBondContact O-N 2.89Å; V90-V94 WeakPolarHBondContact O-CG2 3.47Å; V90-V94 PolarHBondContact O-N 3.25Å
91M98.2Very high97Very high45 Ų4528.6 Ų28.622%0.22216%0.157CC..Hα-helixtrans-64.4-36179.2-66.9-62.494.300112.6F10 W11 V14 F87 K88 A95F10-M91 HydrophobicContact CE1-CB 4.4Å; F10-M91 HydrophobicContact CE1-CG 4.13Å; F10-M91 HydrophobicContact CZ-CB 3.98Å; F10-M91 HydrophobicContact CZ-CG 3.81Å; W11-M91 HydrophobicContact CH2-SD 4.48Å; V14-M91 HydrophobicContact CG1-CB 4.42Å; V14-M91 HydrophobicContact CG2-CB 3.83Å; F87-M91 HydrophobicContact CD2-CG 4.38Å; F87-M91 HydrophobicContact CE1-CG 4.31Å; F87-M91 HydrophobicContact CE2-CE 4.41Å; F87-M91 HydrophobicContact CE2-CG 3.92Å; F87-M91 HydrophobicContact CE2-SD 4.22Å; F87-M91 HydrophobicContact CZ-CG 3.87Å; F87-M91 HydrophobicContact CZ-SD 4.28Å; F87-M91 WeakPolarHBondContact O-CG 3.18Å; F87-M91 PolarHBondContact O-N 3.46Å; K88-M91 PolarHBondContact O-N 3.09Å; M91-A95 WeakPolarHBondContact O-CB 3.23Å; M91-A95 PolarHBondContact O-N 3.31Å
92Y98.7Very high97.2Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-64-48.2174.1-85.629.5000111.6A13 V14 E17 S66 H69 K88 A89 V90 V94 A95 Q96A13-Y92 HydrophobicContact CB-CE1 4.26Å; A13-Y92 WeakPolarHBondContact CB-OH 3.3Å; V14-Y92 HydrophobicContact CG2-CD1 4.12Å; V14-Y92 HydrophobicContact CG2-CE1 4.14Å; E17-Y92 HydrophobicContact CG-CD1 4.01Å; E17-Y92 HydrophobicContact CG-CD2 3.63Å; E17-Y92 HydrophobicContact CG-CE1 4.1Å; E17-Y92 HydrophobicContact CG-CE2 3.72Å; E17-Y92 HydrophobicContact CG-CG 3.78Å; S66-Y92 WeakPolarHBondContact CA-OH 3.42Å; S66-Y92 VanDerWaalsContact O-CE2 3.29Å; S66-Y92 WeakPolarHBondContact O-CE2 3.31Å; S66-Y92 PolarHBondContact O-OH 3.41Å; H69-Y92 HydrophobicContact CB-CD2 4.29Å; H69-Y92 AromaticContact CG-CD2 3.99Å; H69-Y92 AromaticContact ND1-CD2 3.75Å; K88-Y92 HydrophobicContact CD-CE1 4.42Å; K88-Y92 WeakPolarHBondContact CE-OH 3.39Å; K88-Y92 HydrophobicContact CG-CD1 4.01Å; K88-Y92 HydrophobicContact CG-CE1 3.68Å; K88-Y92 WeakPolarHBondContact O-CB 3.49Å; K88-Y92 VanDerWaalsContact O-CD1 3.31Å; K88-Y92 WeakPolarHBondContact O-CD1 3.43Å; K88-Y92 PolarHBondContact O-N 3.27Å; A89-Y92 PolarHBondContact O-N 3.18Å; V90-Y92 VanDerWaalsContact C-N 3.31Å; V90-Y92 PolarHBondContact O-N 2.93Å; Y92-V94 VanDerWaalsContact C-N 3.3Å; Y92-V94 PolarHBondContact O-N 3.1Å; Y92-A95 PolarHBondContact O-N 2.88Å; Y92-Q96 WeakPolarHBondContact O-CB 3.33Å; Y92-Q96 VanDerWaalsContact O-CD 3.27Å; Y92-Q96 WeakPolarHBondContact O-CG 3.31Å; Y92-Q96 PolarHBondContact O-N 2.9Å
93I98.8Very high97.5Very high38 Ų3832.1 Ų32.120%0.19517%0.174CC..Hα-helixtrans-60.3-42.9179.6-68.5169.4000110.6P72 T75 A89 V90 Q96 M97P72-I93 HydrophobicContact CB-CD1 4.42Å; P72-I93 HydrophobicContact CB-CG1 3.98Å; P72-I93 HydrophobicContact CB-CG2 4.23Å; P72-I93 HydrophobicContact CG-CG1 4.49Å; P72-I93 HydrophobicContact CG-CG2 4.25Å; T75-I93 HydrophobicContact CG2-CD1 4.44Å; T75-I93 HydrophobicContact CG2-CG1 4.14Å; A89-I93 VanDerWaalsContact O-CG1 3.3Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 3.32Å; V90-I93 PolarHBondContact O-N 2.89Å; I93-Q96 PolarHBondContact O-N 2.84Å; I93-M97 HydrophobicContact CG2-CG 4.48Å; I93-M97 HydrophobicContact CG2-SD 4.11Å; I93-M97 VanDerWaalsContact O-CG 3.29Å; I93-M97 WeakPolarHBondContact O-CG 3.24Å; I93-M97 PolarHBondContact O-N 2.95Å
94V98.8Very high97.8Very high68 Ų6829.8 Ų29.841%0.41216%0.163SC..Hα-helixtrans-61.5-48.4175.4173.20000111.1V90 Y92 Q96 M97 L98V90-V94 WeakPolarHBondContact O-CG2 3.47Å; V90-V94 PolarHBondContact O-N 3.25Å; Y92-V94 VanDerWaalsContact C-N 3.3Å; Y92-V94 PolarHBondContact O-N 3.1Å; V94-Q96 VanDerWaalsContact C-N 3.32Å; V94-Q96 PolarHBondContact O-N 3.38Å; V94-M97 PolarHBondContact O-N 3.26Å; V94-L98 HydrophobicContact CG1-CD1 3.94Å; V94-L98 HydrophobicContact CG1-CG 4.39Å; V94-L98 WeakPolarHBondContact O-CB 3.4Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.49Å; V94-L98 PolarHBondContact O-N 2.95Å
95A98.8Very high97.9Very high4 Ų430.8 Ų30.83%0.03318%0.176CC..Hα-helixtrans-59.6-41.417800000112.6V14 E17 L18 M91 Y92 L98 G99V14-A95 HydrophobicContact CG1-CB 3.89Å; V14-A95 WeakPolarHBondContact O-CB 3.28Å; E17-A95 HydrophobicContact CB-CB 4.12Å; L18-A95 HydrophobicContact CB-CB 4.07Å; M91-A95 WeakPolarHBondContact O-CB 3.23Å; M91-A95 PolarHBondContact O-N 3.31Å; Y92-A95 PolarHBondContact O-N 2.88Å; A95-L98 PolarHBondContact O-N 3.47Å; A95-G99 PolarHBondContact O-N 3.43Å
96Q98.9Very high97.9Very high0 Ų034.1 Ų34.10%019%0.193CC..Hα-helixtrans-63.7-47.9176.6-69.4156.75.500111.1E17 M21 P72 T75 Y92 I93 V94 L98 G99 S100 A187E17-Q96 WeakPolarHBondContact OE2-CG 3.31Å; E17-Q96 PolarHBondContact OE2-NE2 3.05Å; M21-Q96 HydrophobicContact CG-CB 4.25Å; M21-Q96 WeakPolarHBondContact CG-O 3.47Å; P72-Q96 VanDerWaalsContact CD-OE1 3.24Å; T75-Q96 PolarHBondContact OG1-NE2 2.99Å; Y92-Q96 WeakPolarHBondContact O-CB 3.33Å; Y92-Q96 VanDerWaalsContact O-CD 3.27Å; Y92-Q96 WeakPolarHBondContact O-CG 3.31Å; Y92-Q96 PolarHBondContact O-N 2.9Å; I93-Q96 PolarHBondContact O-N 2.84Å; V94-Q96 VanDerWaalsContact C-N 3.32Å; V94-Q96 PolarHBondContact O-N 3.38Å; Q96-L98 VanDerWaalsContact C-N 3.34Å; Q96-L98 PolarHBondContact O-N 3.42Å; Q96-G99 PolarHBondContact O-N 2.85Å; Q96-S100 WeakPolarHBondContact O-CB 3.31Å; Q96-S100 PolarHBondContact O-N 3.07Å; Q96-A187 HydrophobicContact CB-CB 3.96Å
97M98.8Very high97.8Very high44 Ų4430.7 Ų30.722%0.21717%0.172CC..Hα-helixtrans-61.2-43.1177.9-70.317973.600112I93 V94 S100 A101 A187 F190 W206I93-M97 HydrophobicContact CG2-CG 4.48Å; I93-M97 HydrophobicContact CG2-SD 4.11Å; I93-M97 VanDerWaalsContact O-CG 3.29Å; I93-M97 WeakPolarHBondContact O-CG 3.24Å; I93-M97 PolarHBondContact O-N 2.95Å; V94-M97 PolarHBondContact O-N 3.26Å; M97-S100 PolarHBondContact O-N 3.39Å; M97-A101 WeakPolarHBondContact O-CB 3.34Å; M97-A101 PolarHBondContact O-N 2.9Å; M97-A187 HydrophobicContact CG-CB 4.22Å; M97-F190 HydrophobicContact CB-CD1 4.14Å; M97-F190 HydrophobicContact CB-CE1 4.22Å; M97-F190 HydrophobicContact CE-CD1 3.75Å; M97-F190 HydrophobicContact CE-CD2 3.85Å; M97-F190 HydrophobicContact CE-CE1 3.67Å; M97-F190 HydrophobicContact CE-CE2 3.77Å; M97-F190 HydrophobicContact CE-CG 3.84Å; M97-F190 HydrophobicContact CE-CZ 3.68Å; M97-F190 HydrophobicContact CG-CD1 4.34Å; M97-W206 HydrophobicContact CE-CH2 3.93Å; M97-W206 HydrophobicContact CE-CZ2 4.07Å; M97-W206 HydrophobicContact CG-CH2 4.49Å; M97-W206 HydrophobicContact SD-CH2 3.8Å; M97-W206 HydrophobicContact SD-CZ2 4.5Å
98L98.8Very high97.7Very high100 Ų10032.7 Ų32.752%0.52418%0.181SC..Hα-helixtrans-64.7-44.8176.8-69.8175.4000112.2L18 V94 A95 Q96 S100 A101 L102L18-L98 HydrophobicContact CD1-CB 4.14Å; V94-L98 HydrophobicContact CG1-CD1 3.94Å; V94-L98 HydrophobicContact CG1-CG 4.39Å; V94-L98 WeakPolarHBondContact O-CB 3.4Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.49Å; V94-L98 PolarHBondContact O-N 2.95Å; A95-L98 PolarHBondContact O-N 3.47Å; Q96-L98 VanDerWaalsContact C-N 3.34Å; Q96-L98 PolarHBondContact O-N 3.42Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3Å; L98-A101 PolarHBondContact O-N 2.91Å; L98-L102 WeakPolarHBondContact O-CB 3.31Å; L98-L102 PolarHBondContact O-N 2.66Å
99G98.8Very high97.5Very high0 Ų035 Ų350%021%0.209CC..Hα-helixtrans-62-41.1176.800000112.1T22 A95 Q96 L102 A103T22-G99 WeakPolarHBondContact CA-O 3.14Å; T22-G99 WeakPolarHBondContact OG1-CA 3.36Å; T22-G99 PolarHBondContact OG1-O 3.34Å; A95-G99 PolarHBondContact O-N 3.43Å; Q96-G99 PolarHBondContact O-N 2.85Å; G99-L102 PolarHBondContact O-N 3.07Å; G99-A103 WeakPolarHBondContact O-CB 3.32Å; G99-A103 PolarHBondContact O-N 3.08Å
100S98.7Very high97.1Very high0 Ų039.4 Ų39.40%024%0.236CC..Hα-helixtrans-65.1-44.7175.4-168.10000112.3Q96 M97 L98 A103 S104 A187 G191Q96-S100 WeakPolarHBondContact O-CB 3.31Å; Q96-S100 PolarHBondContact O-N 3.07Å; M97-S100 PolarHBondContact O-N 3.39Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3Å; S100-A103 PolarHBondContact O-N 2.77Å; S100-S104 WeakPolarHBondContact O-CB 3.32Å; S100-S104 PolarHBondContact O-N 3.17Å; S100-S104 PolarHBondContact O-OG 2.96Å; S100-A187 VanDerWaalsContact CB-O 3.23Å; S100-A187 WeakPolarHBondContact CB-O 3.42Å; S100-A187 PolarHBondContact OG-O 2.97Å; S100-G191 WeakPolarHBondContact OG-CA 3.41Å
101A98.6Very high96.5Very high17 Ų1737.8 Ų37.814%0.1422%0.222CC..Hα-helixtrans-61.9-44.2177.700000111.6M97 L98 S104 G105 L194M97-A101 WeakPolarHBondContact O-CB 3.34Å; M97-A101 PolarHBondContact O-N 2.9Å; L98-A101 PolarHBondContact O-N 2.91Å; A101-S104 PolarHBondContact O-N 3.43Å; A101-G105 PolarHBondContact O-N 3.19Å; A101-L194 HydrophobicContact CB-CD2 3.79Å
102L98.5Very high95.7Very high93 Ų9339.7 Ų39.749%0.48724%0.238SC..Hα-helixtrans-58.7-50.9176.3177.460.8000111.2T22 L98 G99 G105 I106T22-L102 HydrophobicContact CG2-CD2 4.04Å; T22-L102 HydrophobicContact CG2-CG 4.2Å; L98-L102 WeakPolarHBondContact O-CB 3.31Å; L98-L102 PolarHBondContact O-N 2.66Å; G99-L102 PolarHBondContact O-N 3.07Å; L102-G105 PolarHBondContact O-N 3.35Å; L102-I106 HydrophobicContact CD1-CD1 4.15Å; L102-I106 HydrophobicContact CD1-CG1 4.47Å; L102-I106 HydrophobicContact CG-CD1 4.03Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 2.99Å
103A98.2Very high94.8Very high0 Ų048.1 Ų48.10%028%0.283CS..Hα-helixtrans-61.7-45178.600000112.6T22 I25 F26 G99 S100 G105 I106 V107T22-A103 HydrophobicContact CG2-CB 4.1Å; T22-A103 WeakPolarHBondContact O-CB 3.38Å; I25-A103 HydrophobicContact CB-CB 3.64Å; I25-A103 HydrophobicContact CG2-CB 3.64Å; F26-A103 HydrophobicContact CB-CB 4.27Å; G99-A103 WeakPolarHBondContact O-CB 3.32Å; G99-A103 PolarHBondContact O-N 3.08Å; S100-A103 PolarHBondContact O-N 2.77Å; A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3.08Å; A103-I106 PolarHBondContact O-N 3.32Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å; A103-V107 PolarHBondContact O-N 3.35Å
104S97.4Very high93.8Very high0 Ų051.7 Ų51.70%030%0.302CS..Hα-helixtrans-60.3-39.4176.6-64.40000111.8S100 A101 V107 F108 P192S100-S104 WeakPolarHBondContact O-CB 3.32Å; S100-S104 PolarHBondContact O-N 3.17Å; S100-S104 PolarHBondContact O-OG 2.96Å; A101-S104 PolarHBondContact O-N 3.43Å; S104-V107 PolarHBondContact O-N 3.05Å; S104-F108 VanDerWaalsContact O-CB 3.31Å; S104-F108 WeakPolarHBondContact O-CB 3.39Å; S104-F108 PolarHBondContact O-N 2.95Å; S104-P192 VanDerWaalsContact OG-CD 3.29Å; S104-P192 WeakPolarHBondContact OG-CD 3.44Å
105G96.9Very high92.7Very high29 Ų2948.8 Ų48.830%0.29929%0.285SS..Hα-helixtrans-64.7-42174.100000112.9A101 L102 A103 F108 G109A101-G105 PolarHBondContact O-N 3.19Å; L102-G105 PolarHBondContact O-N 3.35Å; A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3.08Å; G105-F108 PolarHBondContact O-N 2.88Å; G105-G109 PolarHBondContact O-N 2.98Å; G105-G109 VanDerWaalsContact O-N 3.08Å
106I96.4Very high91.6Very high70 Ų7054.1 Ų54.136%0.35932%0.317SS..Hα-helixtrans-60.2-51.1174.5-67.6164.7000110.1T22 F26 L102 A103 F108 G109 T110T22-I106 HydrophobicContact CG2-CD1 4.49Å; F26-I106 HydrophobicContact CD2-CG2 3.9Å; F26-I106 HydrophobicContact CE2-CG2 3.88Å; L102-I106 HydrophobicContact CD1-CD1 4.15Å; L102-I106 HydrophobicContact CD1-CG1 4.47Å; L102-I106 HydrophobicContact CG-CD1 4.03Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 2.99Å; A103-I106 PolarHBondContact O-N 3.32Å; I106-F108 VanDerWaalsContact C-N 3.28Å; I106-F108 PolarHBondContact O-N 3Å; I106-G109 PolarHBondContact O-N 3.23Å; I106-T110 HydrophobicContact CG2-CG2 4.3Å; I106-T110 WeakPolarHBondContact O-CG2 3.2Å; I106-T110 PolarHBondContact O-N 3.47Å; I106-T110 PolarHBondContact O-OG1 3.04Å
107V93.8Very high90.7Very high1 Ų156.6 Ų56.61%0.00634%0.337CS..Hα-helixtrans-60.8-39.5179.7177.20000111.1F26 I29 I33 A103 S104 G109 T110 R111 L118F26-V107 HydrophobicContact CD2-CG2 3.68Å; F26-V107 HydrophobicContact CE2-CG2 4.28Å; F26-V107 HydrophobicContact CG-CG2 4.48Å; I29-V107 HydrophobicContact CG2-CG1 4Å; I33-V107 HydrophobicContact CD1-CG1 3.46Å; I33-V107 VanDerWaalsContact CD1-CG1 3.46Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å; A103-V107 PolarHBondContact O-N 3.35Å; S104-V107 PolarHBondContact O-N 3.05Å; V107-G109 VanDerWaalsContact C-N 3.27Å; V107-G109 PolarHBondContact O-N 2.78Å; V107-T110 PolarHBondContact O-N 3.5Å; V107-T110 PolarHBondContact O-OG1 3.43Å; V107-R111 WeakPolarHBondContact O-CB 3.23Å; V107-R111 PolarHBondContact O-N 2.85Å; V107-L118 HydrophobicContact CB-CD1 4.02Å; V107-L118 HydrophobicContact CG1-CD1 3.7Å
108F92.6Very high90.1Very high90 Ų9054.5 Ų54.540%0.39533%0.327SS..Hα-helixtrans-60.2-37175.6-177.1-84.4000112.4S104 G105 I106 R111 L118 I195 L196S104-F108 VanDerWaalsContact O-CB 3.31Å; S104-F108 WeakPolarHBondContact O-CB 3.39Å; S104-F108 PolarHBondContact O-N 2.95Å; G105-F108 PolarHBondContact O-N 2.88Å; I106-F108 VanDerWaalsContact C-N 3.28Å; I106-F108 PolarHBondContact O-N 3Å; F108-R111 VanDerWaalsContact CD2-NH2 3.27Å; F108-R111 WeakPolarHBondContact O-CG 3.47Å; F108-R111 PolarHBondContact O-NE 3.03Å; F108-L118 HydrophobicContact CB-CD1 4.06Å; F108-L118 HydrophobicContact CB-CD2 4.25Å; F108-L118 HydrophobicContact CD2-CD2 4.32Å; F108-I195 HydrophobicContact CB-CG2 3.82Å; F108-I195 HydrophobicContact CD2-CG2 3.68Å; F108-I195 HydrophobicContact CE2-CG2 4.37Å; F108-I195 HydrophobicContact CG-CG2 3.79Å; F108-L196 HydrophobicContact CD2-CD2 4.08Å; F108-L196 HydrophobicContact CE2-CD2 3.9Å
109G91.7Very high89.5Confident64 Ų6450.6 Ų50.666%0.6631%0.311SS*.Hα-helixtrans-78.8-29.817700000114.5G105 I106 V107G105-G109 PolarHBondContact O-N 2.98Å; G105-G109 VanDerWaalsContact O-N 3.08Å; I106-G109 PolarHBondContact O-N 3.23Å; V107-G109 VanDerWaalsContact C-N 3.27Å; V107-G109 PolarHBondContact O-N 2.78Å
110T89.8Confident89.2Confident94 Ų9452.9 Ų52.958%0.57732%0.323SS*.Hα-helixtrans-93.7-13.3-176.859.20000114.2I106 V107I106-T110 HydrophobicContact CG2-CG2 4.3Å; I106-T110 WeakPolarHBondContact O-CG2 3.2Å; I106-T110 PolarHBondContact O-N 3.47Å; I106-T110 PolarHBondContact O-OG1 3.04Å; V107-T110 PolarHBondContact O-N 3.5Å; V107-T110 PolarHBondContact O-OG1 3.43Å
111R85.3Confident89Confident37 Ų3753.1 Ų53.114%0.1432%0.324CS..SBendtrans-67.9153.2-179.770.2-168.8178.616213.3111.8I33 V107 F108 T115 T116 A117I33-R111 HydrophobicContact CD1-CB 3.9Å; V107-R111 WeakPolarHBondContact O-CB 3.23Å; V107-R111 PolarHBondContact O-N 2.85Å; F108-R111 VanDerWaalsContact CD2-NH2 3.27Å; F108-R111 WeakPolarHBondContact O-CG 3.47Å; F108-R111 PolarHBondContact O-NE 3.03Å; R111-T115 VanDerWaalsContact CD-O 3.24Å; R111-T115 WeakPolarHBondContact CD-O 3.19Å; R111-T115 PolarHBondContact NE-O 3.19Å; R111-T115 PolarHBondContact NH1-O 3.3Å; R111-T115 PolarHBondContact NH2-O 3.26Å; R111-T116 PolarHBondContact NH1-O 2.86Å; R111-A117 PolarHBondContact NH1-O 2.94Å
112P82.2Confident88.8Confident84 Ų8455.7 Ų55.755%0.54534%0.341SS..  trans-57.1142173.4-24.234.9000112.1D114 T115P112-D114 VanDerWaalsContact CB-OD1 3.31Å; P112-D114 WeakPolarHBondContact CB-OD1 3.32Å; P112-D114 PolarHBondContact O-N 2.92Å; P112-T115 WeakPolarHBondContact O-CA 3.45Å; P112-T115 WeakPolarHBondContact O-CB 3.38Å; P112-T115 PolarHBondContact O-N 3.11Å; P112-T115 PolarHBondContact O-OG1 3.25Å
113N79.1Confident88.7Confident178 Ų17853 Ų5395%0.95233%0.327SS*.THydrogen-bonded Turntrans-57.7-25.1-172.7-72-24.8000115.1T115N113-T115 VanDerWaalsContact C-N 3.25Å
114D77.1Confident88.5Confident113 Ų11358.3 Ų58.360%0.60436%0.356SS*.THydrogen-bonded Turntrans-80.7-7.1177.570.3-25.7000112.3K36 P112K36-D114 PolarHBondContact NZ-O 3Å; K36-D114 IonicContact NZ-OD1 2.92Å; K36-D114 PolarHBondContact NZ-OD1 3.09Å; K36-D114 IonicContact NZ-OD2 2.84Å; K36-D114 PolarHBondContact NZ-OD2 3.04Å; P112-D114 VanDerWaalsContact CB-OD1 3.31Å; P112-D114 WeakPolarHBondContact CB-OD1 3.32Å; P112-D114 PolarHBondContact O-N 2.92Å
115T76.6Confident88.3Confident7 Ų762.3 Ų62.34%0.04340%0.396CS..  trans-95.3106.3-172.9-50.80000111I33 K36 R111 P112 N113 A117I33-T115 HydrophobicContact CB-CG2 4.41Å; K36-T115 VanDerWaalsContact CE-CB 3.45Å; K36-T115 WeakPolarHBondContact CE-OG1 3.35Å; K36-T115 PolarHBondContact NZ-OG1 2.98Å; R111-T115 VanDerWaalsContact CD-O 3.24Å; R111-T115 WeakPolarHBondContact CD-O 3.19Å; R111-T115 PolarHBondContact NE-O 3.19Å; R111-T115 PolarHBondContact NH1-O 3.3Å; R111-T115 PolarHBondContact NH2-O 3.26Å; P112-T115 WeakPolarHBondContact O-CA 3.45Å; P112-T115 WeakPolarHBondContact O-CB 3.38Å; P112-T115 PolarHBondContact O-N 3.11Å; P112-T115 PolarHBondContact O-OG1 3.25Å; N113-T115 VanDerWaalsContact C-N 3.25Å; T115-A117 HydrophobicContact CG2-CB 4.48Å
116T75.4Confident88.3Confident115 Ų11562.2 Ų62.271%0.70639%0.39SS*.  trans-90.5-19.417555.70000112.9R111R111-T116 PolarHBondContact NH1-O 2.86Å
117A79.8Confident88.4Confident52 Ų5262.4 Ų62.443%0.4340%0.395SS..  trans-69.9146178.700000112.8I33 R111 T115I33-A117 HydrophobicContact CG2-CB 4.36Å; R111-A117 PolarHBondContact NH1-O 2.94Å; T115-A117 HydrophobicContact CG2-CB 4.48Å
118L86.8Confident88.6Confident1 Ų163.6 Ų63.61%0.00540%0.404CS..  trans-136.126.1175.7-15765.1000112I29 V107 F108 L120 P192 I195 L196I29-L118 VanDerWaalsContact CG2-O 3.28Å; I29-L118 WeakPolarHBondContact CG2-O 3.45Å; V107-L118 HydrophobicContact CB-CD1 4.02Å; V107-L118 HydrophobicContact CG1-CD1 3.7Å; F108-L118 HydrophobicContact CB-CD1 4.06Å; F108-L118 HydrophobicContact CB-CD2 4.25Å; F108-L118 HydrophobicContact CD2-CD2 4.32Å; L118-L120 VanDerWaalsContact C-N 3.26Å; L118-L120 PolarHBondContact O-N 3.27Å; L118-P192 HydrophobicContact CB-CB 4.34Å; L118-P192 HydrophobicContact CD2-CB 4.3Å; L118-P192 HydrophobicContact CG-CB 4.32Å; L118-P192 WeakPolarHBondContact O-CB 3.34Å; L118-P192 WeakPolarHBondContact O-CG 3.26Å; L118-I195 HydrophobicContact CD2-CB 3.8Å; L118-I195 HydrophobicContact CD2-CG1 4.49Å; L118-I195 HydrophobicContact CD2-CG2 3.72Å; L118-L196 HydrophobicContact CB-CD1 3.7Å; L118-L196 HydrophobicContact CB-CD2 4.36Å; L118-L196 HydrophobicContact CB-CG 4.1Å; L118-L196 HydrophobicContact CD2-CD2 4.39Å; L118-L196 HydrophobicContact CD2-CG 4.15Å
119G86Confident88.9Confident18 Ų1863.5 Ų63.519%0.18642%0.415CS..  trans62.732.3-177.400000113.6R188G119-R188 PolarHBondContact O-NH1 2.95Å; G119-R188 PolarHBondContact O-NH2 3.45Å
120L92.1Very high89.2Confident47 Ų4765.3 Ų65.325%0.24641%0.406CS..  trans-57.6136.4173.7-169.574.5000109.4L118 P192 A193 L196 D198L118-L120 VanDerWaalsContact C-N 3.26Å; L118-L120 PolarHBondContact O-N 3.27Å; L120-P192 HydrophobicContact CD1-CB 4.2Å; L120-A193 VanDerWaalsContact CD1-CA 3.49Å; L120-A193 HydrophobicContact CD1-CB 3.83Å; L120-L196 HydrophobicContact CB-CD1 4.45Å; L120-D198 HydrophobicContact CD2-CB 3.93Å; L120-D198 WeakPolarHBondContact CD2-OD2 3.48Å
121N95Very high89.6Confident6 Ų660.8 Ų60.83%0.03238%0.379CS..  trans-75.9134.3171.5-69.9107.2000109.7T180 G181 C182 G183 R188 S189 Y205N121-T180 PolarHBondContact ND2-O 3.38Å; N121-G181 PolarHBondContact ND2-O 3.1Å; N121-G181 VanDerWaalsContact ND2-O 3.14Å; N121-C182 PolarHBondContact ND2-O 3.36Å; N121-C182 VanDerWaalsContact ND2-O 3.07Å; N121-G183 PolarHBondContact ND2-N 3.07Å; N121-R188 PolarHBondContact OD1-NH1 3.46Å; N121-S189 WeakPolarHBondContact OD1-CA 3.3Å; N121-S189 WeakPolarHBondContact OD1-CB 3.38Å; N121-S189 PolarHBondContact OD1-OG 3.43Å; N121-Y205 VanDerWaalsContact C-OH 3.28Å; N121-Y205 HydrophobicContact CB-CD1 3.9Å; N121-Y205 HydrophobicContact CB-CD2 4Å; N121-Y205 HydrophobicContact CB-CE1 3.47Å; N121-Y205 VanDerWaalsContact CB-CE1 3.47Å; N121-Y205 HydrophobicContact CB-CE2 3.6Å; N121-Y205 HydrophobicContact CB-CG 4.16Å
122S94.9Very high90.2Very high70 Ų7060.2 Ų60.249%0.4938%0.379SS..  trans-145147.8178.860.20000110.5T180 Y205S122-T180 PolarHBondContact N-O 3.37Å; S122-T180 CarbonylContact O-C 3.52Å; S122-T180 VanDerWaalsContact O-CA 3.3Å; S122-T180 WeakPolarHBondContact O-CA 3.23Å; S122-Y205 VanDerWaalsContact CA-OH 3.26Å; S122-Y205 WeakPolarHBondContact CA-OH 3.09Å; S122-Y205 PolarHBondContact N-OH 3.23Å
123L96.1Very high91Very high37 Ų3757.9 Ų57.919%0.19437%0.37CS..  trans-74134173.2-57.3178.7000110.3V126 A128 Y179 T180 D201 V204L123-V126 HydrophobicContact CB-CG2 4.26Å; L123-V126 HydrophobicContact CD2-CG2 4.19Å; L123-A128 HydrophobicContact CD1-CB 4Å; L123-Y179 WeakPolarHBondContact CA-O 3.37Å; L123-T180 HydrophobicContact CD2-CG2 4.07Å; L123-D201 HydrophobicContact CD1-CB 3.93Å; L123-D201 HydrophobicContact CG-CB 4.32Å; L123-V204 HydrophobicContact CD2-CG1 4.42Å
124N93.1Very high91.9Very high112 Ų11251.4 Ų51.460%0.59934%0.335SS*.  trans-130.2111.4178.6-172.6-3.2000110.2V126 Y179N124-V126 PolarHBondContact O-N 2.89Å; N124-V126 VanDerWaalsContact O-N 3.14Å; N124-Y179 PolarHBondContact N-O 3.01Å
125G94Very high93Very high83 Ų8346 Ų4686%0.85631%0.306SS*.SBendtrans66.511.8178.700000115.1
126V97.2Very high94Very high28 Ų2848.1 Ų48.117%0.1732%0.317CS..SBendtrans-131.8150.1-179.2-630000111.5L123 N124 Q130 Y179L123-V126 HydrophobicContact CB-CG2 4.26Å; L123-V126 HydrophobicContact CD2-CG2 4.19Å; N124-V126 PolarHBondContact O-N 2.89Å; N124-V126 VanDerWaalsContact O-N 3.14Å; V126-Q130 HydrophobicContact CB-CB 4.08Å; V126-Y179 HydrophobicContact CG1-CD1 3.64Å; V126-Y179 HydrophobicContact CG1-CE1 4.49Å; V126-Y179 HydrophobicContact CG1-CG 4.36Å; V126-Y179 WeakPolarHBondContact CG2-O 3.31Å
127T98.1Very high95.1Very high74 Ų7448.1 Ų48.145%0.45431%0.312SS..  trans-74.6160.7171.862.30000111.3S129 Q130 G131T127-S129 VanDerWaalsContact C-N 3.27Å; T127-S129 PolarHBondContact O-N 3.03Å; T127-S129 PolarHBondContact OG1-OG 2.9Å; T127-Q130 WeakPolarHBondContact O-CB 3.29Å; T127-Q130 PolarHBondContact O-N 3.46Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.47Å; T127-Q130 PolarHBondContact OG1-N 3.45Å; T127-Q130 PolarHBondContact OG1-OE1 3.02Å; T127-G131 PolarHBondContact O-N 3.46Å
128A98.1Very high96Very high25 Ų2546.1 Ų46.121%0.20730%0.295CS..Hα-helixtrans-58.3-37178.300000113.3L123 G131 V132 W203 V204L123-A128 HydrophobicContact CD1-CB 4Å; A128-G131 PolarHBondContact O-N 2.95Å; A128-V132 WeakPolarHBondContact O-CG2 3.37Å; A128-V132 PolarHBondContact O-N 3.4Å; A128-W203 HydrophobicContact CB-CH2 4.5Å; A128-W203 HydrophobicContact CB-CZ2 3.78Å; A128-V204 HydrophobicContact CB-CG2 3.99Å
129S97.8Very high96.6Very high88 Ų8846 Ų4662%0.61530%0.295SS*.Hα-helixtrans-68-39.217755.80000112.7T127 G131 V132 G133T127-S129 VanDerWaalsContact C-N 3.27Å; T127-S129 PolarHBondContact O-N 3.03Å; T127-S129 PolarHBondContact OG1-OG 2.9Å; S129-G131 VanDerWaalsContact C-N 3.35Å; S129-V132 PolarHBondContact O-N 3.24Å; S129-G133 PolarHBondContact O-N 3.48Å; S129-G133 VanDerWaalsContact O-N 3.09Å
130Q98.4Very high97.2Very high102 Ų10247.3 Ų47.348%0.47730%0.295SS..Hα-helixtrans-63.4-42.8171.1-72.2167.6-46.200110.9V126 T127 V132 G133 I134V126-Q130 HydrophobicContact CB-CB 4.08Å; T127-Q130 WeakPolarHBondContact O-CB 3.29Å; T127-Q130 PolarHBondContact O-N 3.46Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.47Å; T127-Q130 PolarHBondContact OG1-N 3.45Å; T127-Q130 PolarHBondContact OG1-OE1 3.02Å; Q130-V132 PolarHBondContact O-N 3.46Å; Q130-G133 PolarHBondContact O-N 2.96Å; Q130-G133 VanDerWaalsContact O-N 3.16Å; Q130-I134 WeakPolarHBondContact O-CG1 3.36Å; Q130-I134 PolarHBondContact O-N 3.21Å
131G98.3Very high97.5Very high0 Ų047.2 Ų47.20%029%0.294CS..Hα-helixtrans-56.1-47173.600000112.5T127 A128 S129 G133 I134 E135T127-G131 PolarHBondContact O-N 3.46Å; A128-G131 PolarHBondContact O-N 2.95Å; S129-G131 VanDerWaalsContact C-N 3.35Å; G131-G133 VanDerWaalsContact C-N 3.32Å; G131-G133 PolarHBondContact O-N 3.44Å; G131-I134 PolarHBondContact O-N 3.37Å; G131-E135 WeakPolarHBondContact O-CB 3.25Å; G131-E135 VanDerWaalsContact O-CG 3.32Å; G131-E135 WeakPolarHBondContact O-CG 3.44Å; G131-E135 PolarHBondContact O-N 2.91Å
132V98.8Very high97.7Very high25 Ų2547.1 Ų47.115%0.15229%0.293CS..Hα-helixtrans-58.1-44.3175.1169.90000111.3A128 S129 Q130 E135 L136 W203 V204 V207A128-V132 WeakPolarHBondContact O-CG2 3.37Å; A128-V132 PolarHBondContact O-N 3.4Å; S129-V132 PolarHBondContact O-N 3.24Å; Q130-V132 PolarHBondContact O-N 3.46Å; V132-E135 PolarHBondContact O-N 3.5Å; V132-L136 WeakPolarHBondContact O-CB 3.24Å; V132-L136 PolarHBondContact O-N 3.34Å; V132-W203 HydrophobicContact CG2-CE3 4.44Å; V132-W203 HydrophobicContact CG2-CH2 3.78Å; V132-W203 HydrophobicContact CG2-CZ3 3.6Å; V132-V204 HydrophobicContact CG2-CB 4.22Å; V132-V204 HydrophobicContact CG2-CG1 3.88Å; V132-V204 HydrophobicContact CG2-CG2 4.08Å; V132-V207 HydrophobicContact CG1-CG1 4.29Å
133G98.6Very high97.9Very high34 Ų3443.8 Ų43.835%0.35127%0.27SS..Hα-helixtrans-62.5-42.4178.700000113.2S129 Q130 G131 L137S129-G133 PolarHBondContact O-N 3.48Å; S129-G133 VanDerWaalsContact O-N 3.09Å; Q130-G133 PolarHBondContact O-N 2.96Å; Q130-G133 VanDerWaalsContact O-N 3.16Å; G131-G133 VanDerWaalsContact C-N 3.32Å; G131-G133 PolarHBondContact O-N 3.44Å; G133-L137 PolarHBondContact O-N 3.38Å; G133-L137 VanDerWaalsContact O-N 3.11Å
134I98.6Very high98Very high42 Ų4244 Ų4422%0.21527%0.271CS..Hα-helixtrans-63.9-51.1177.1-67.2165.3000110.2Q130 G131 L136 L137 A138 A176 Y179 T180Q130-I134 WeakPolarHBondContact O-CG1 3.36Å; Q130-I134 PolarHBondContact O-N 3.21Å; G131-I134 PolarHBondContact O-N 3.37Å; I134-L136 VanDerWaalsContact C-N 3.3Å; I134-L136 PolarHBondContact O-N 3.02Å; I134-L137 PolarHBondContact O-N 2.89Å; I134-A138 VanDerWaalsContact O-CB 3.29Å; I134-A138 WeakPolarHBondContact O-CB 3.45Å; I134-A138 PolarHBondContact O-N 2.99Å; I134-A176 HydrophobicContact CG2-CB 3.69Å; I134-Y179 HydrophobicContact CD1-CD1 4.23Å; I134-Y179 HydrophobicContact CD1-CD2 4.02Å; I134-Y179 HydrophobicContact CD1-CG 3.68Å; I134-T180 HydrophobicContact CB-CG2 4.46Å; I134-T180 HydrophobicContact CG2-CG2 4.32Å
135E98.8Very high98.3Very high0 Ų040 Ų400%025%0.252CS..Hα-helixtrans-61-38.9179.2-73.5-66.5169.200112.3G131 V132 T139 T180 G183 I184 V204 Y205 P209G131-E135 WeakPolarHBondContact O-CB 3.25Å; G131-E135 VanDerWaalsContact O-CG 3.32Å; G131-E135 WeakPolarHBondContact O-CG 3.44Å; G131-E135 PolarHBondContact O-N 2.91Å; V132-E135 PolarHBondContact O-N 3.5Å; E135-T139 VanDerWaalsContact O-CB 3.25Å; E135-T139 WeakPolarHBondContact O-CB 3.37Å; E135-T139 PolarHBondContact O-N 3.06Å; E135-T139 PolarHBondContact O-OG1 2.86Å; E135-T180 HydrophobicContact CG-CG2 4.41Å; E135-T180 WeakPolarHBondContact OE1-CB 3.5Å; E135-T180 PolarHBondContact OE1-OG1 3.39Å; E135-T180 VanDerWaalsContact OE1-OG1 3.09Å; E135-G183 WeakPolarHBondContact OE1-CA 3.36Å; E135-G183 PolarHBondContact OE1-N 3.08Å; E135-G183 PolarHBondContact OE2-N 3.47Å; E135-I184 WeakPolarHBondContact OE2-CA 3.15Å; E135-I184 PolarHBondContact OE2-N 2.98Å; E135-V204 HydrophobicContact CG-CG1 4.29Å; E135-Y205 HydrophobicContact CG-CD1 4.22Å; E135-Y205 HydrophobicContact CG-CE1 4.45Å; E135-Y205 WeakPolarHBondContact OE1-CD1 3.24Å; E135-Y205 WeakPolarHBondContact OE1-CE1 3.28Å; E135-P209 HydrophobicContact CB-CG 4.18Å
136L98.8Very high98.5Very high51 Ų5136.6 Ų36.627%0.26721%0.214SC..Hα-helixtrans-61.4-52.2176.2-177.2158.7000111.3V132 I134 T139 F140 G208 C211 G212V132-L136 WeakPolarHBondContact O-CB 3.24Å; V132-L136 PolarHBondContact O-N 3.34Å; I134-L136 VanDerWaalsContact C-N 3.3Å; I134-L136 PolarHBondContact O-N 3.02Å; L136-T139 PolarHBondContact O-N 3.46Å; L136-F140 WeakPolarHBondContact O-CB 3.32Å; L136-F140 PolarHBondContact O-N 2.71Å; L136-G208 VanDerWaalsContact CA-O 3.29Å; L136-G208 WeakPolarHBondContact CA-O 3.3Å; L136-C211 HydrophobicContact CD1-CB 3.92Å; L136-C211 HydrophobicContact CG-CB 4.46Å; L136-G212 WeakPolarHBondContact O-CA 3.46Å
137L98.7Very high98.4Very high115 Ų11535.3 Ų35.360%0.60221%0.206SC*.Hα-helixtrans-69.9-39.6-177-70176.7000112.3G133 I134 T139 F140 Q141G133-L137 PolarHBondContact O-N 3.38Å; G133-L137 VanDerWaalsContact O-N 3.11Å; I134-L137 PolarHBondContact O-N 2.89Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 2.97Å; L137-F140 PolarHBondContact O-N 3.19Å; L137-Q141 PolarHBondContact O-N 2.82Å; L137-Q141 VanDerWaalsContact O-N 3.11Å
138A98.6Very high98.3Very high10 Ų1032.6 Ų32.68%0.08319%0.191CC..Hα-helixtrans-65.3-34.817700000111.9I134 Q141 A176 I184I134-A138 VanDerWaalsContact O-CB 3.29Å; I134-A138 WeakPolarHBondContact O-CB 3.45Å; I134-A138 PolarHBondContact O-N 2.99Å; A138-Q141 WeakPolarHBondContact O-CG 3.47Å; A138-Q141 PolarHBondContact O-NE2 3.2Å; A138-A176 HydrophobicContact CB-CB 4.39Å; A138-I184 HydrophobicContact CB-CG2 3.52Å
139T98.8Very high98.1Very high0 Ų032.8 Ų32.80%019%0.189CC..Hα-helixtrans-78.7-36.7173.9-50.70000112.2A73 E135 L136 L137 Q141 L142 V143 I184 P209A73-T139 HydrophobicContact CB-CG2 3.7Å; E135-T139 VanDerWaalsContact O-CB 3.25Å; E135-T139 WeakPolarHBondContact O-CB 3.37Å; E135-T139 PolarHBondContact O-N 3.06Å; E135-T139 PolarHBondContact O-OG1 2.86Å; L136-T139 PolarHBondContact O-N 3.46Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 2.97Å; T139-Q141 PolarHBondContact O-N 2.92Å; T139-L142 WeakPolarHBondContact O-CB 3.34Å; T139-L142 PolarHBondContact O-N 2.82Å; T139-L142 VanDerWaalsContact O-N 3.15Å; T139-V143 HydrophobicContact CG2-CG2 4.04Å; T139-V143 WeakPolarHBondContact O-CG2 3.47Å; T139-V143 PolarHBondContact O-N 3.03Å; T139-I184 VanDerWaalsContact OG1-CA 3.32Å; T139-I184 WeakPolarHBondContact OG1-CA 3.39Å; T139-P209 HydrophobicContact CG2-CB 3.94Å; T139-P209 VanDerWaalsContact CG2-O 3.31Å; T139-P209 WeakPolarHBondContact CG2-O 3.45Å; T139-P209 WeakPolarHBondContact OG1-CA 3.49Å; T139-P209 WeakPolarHBondContact OG1-CB 2.99Å
140F98.8Very high97.9Very high44 Ų4431.2 Ų31.219%0.19318%0.176CC..Hα-helixtrans-55.6-50.6177170.2-92.3000111.2L136 L137 L142 V143 L144 A215 A216 I219L136-F140 WeakPolarHBondContact O-CB 3.32Å; L136-F140 PolarHBondContact O-N 2.71Å; L137-F140 PolarHBondContact O-N 3.19Å; F140-L142 VanDerWaalsContact C-N 3.25Å; F140-L142 PolarHBondContact O-N 3.14Å; F140-V143 PolarHBondContact O-N 3.12Å; F140-L144 HydrophobicContact CE1-CD2 3.99Å; F140-L144 HydrophobicContact CZ-CD2 4.2Å; F140-L144 WeakPolarHBondContact O-CB 3.39Å; F140-L144 PolarHBondContact O-N 2.68Å; F140-A215 HydrophobicContact CD2-CB 4.08Å; F140-A215 HydrophobicContact CE2-CB 4.46Å; F140-A216 HydrophobicContact CD2-CB 3.7Å; F140-A216 VanDerWaalsContact CE2-CA 3.41Å; F140-A216 HydrophobicContact CE2-CB 3.98Å; F140-A216 HydrophobicContact CG-CB 4.38Å; F140-A216 WeakPolarHBondContact O-CB 3.47Å; F140-I219 HydrophobicContact CE2-CB 4.31Å; F140-I219 HydrophobicContact CE2-CD1 3.59Å; F140-I219 HydrophobicContact CE2-CG1 4.43Å; F140-I219 HydrophobicContact CZ-CD1 3.92Å; F140-I219 HydrophobicContact CZ-CG2 4.4Å
141Q98.8Very high97.6Very high46 Ų4627 Ų2722%0.21516%0.157CC..Hα-helixtrans-63.2-34.2179.268.976.337.300112.3L137 A138 T139 C145 S168L137-Q141 PolarHBondContact O-N 2.82Å; L137-Q141 VanDerWaalsContact O-N 3.11Å; A138-Q141 WeakPolarHBondContact O-CG 3.47Å; A138-Q141 PolarHBondContact O-NE2 3.2Å; T139-Q141 PolarHBondContact O-N 2.92Å; Q141-C145 WeakPolarHBondContact O-CB 3.31Å; Q141-C145 PolarHBondContact O-N 2.92Å; Q141-S168 PolarHBondContact NE2-O 3.32Å; Q141-S168 PolarHBondContact NE2-OG 2.67Å; Q141-S168 PolarHBondContact OE1-OG 3.46Å
142L98.8Very high97.1Very high4 Ų436.6 Ų36.62%0.02120%0.199CC..Hα-helixtrans-65.3-53.7177171.461.3000111.3V74 T139 F140 L144 C145 V146 I165 S168 V169 I184V74-L142 HydrophobicContact CG2-CD2 4.31Å; V74-L142 HydrophobicContact CG2-CG 4.48Å; T139-L142 WeakPolarHBondContact O-CB 3.34Å; T139-L142 PolarHBondContact O-N 2.82Å; T139-L142 VanDerWaalsContact O-N 3.15Å; F140-L142 VanDerWaalsContact C-N 3.25Å; F140-L142 PolarHBondContact O-N 3.14Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 3.5Å; L142-C145 WeakPolarHBondContact O-CB 3.45Å; L142-C145 PolarHBondContact O-N 2.95Å; L142-C145 VanDerWaalsContact O-N 3.16Å; L142-V146 HydrophobicContact CD1-CG2 4.28Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 3.47Å; L142-I165 HydrophobicContact CD1-CG2 4.22Å; L142-S168 VanDerWaalsContact CA-OG 3.3Å; L142-S168 WeakPolarHBondContact CA-OG 3.46Å; L142-V169 HydrophobicContact CD1-CG2 3.5Å; L142-V169 HydrophobicContact CD2-CG2 3.93Å; L142-V169 HydrophobicContact CG-CG2 4.37Å; L142-I184 HydrophobicContact CD2-CD1 4.17Å
143V98.8Very high96.6Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-68.1-34-177.71790000110.7V74 T139 F140 C145 V146 I147 G213 A216V74-V143 HydrophobicContact CG2-CG2 4.02Å; T139-V143 HydrophobicContact CG2-CG2 4.04Å; T139-V143 WeakPolarHBondContact O-CG2 3.47Å; T139-V143 PolarHBondContact O-N 3.03Å; F140-V143 PolarHBondContact O-N 3.12Å; V143-C145 VanDerWaalsContact C-N 3.35Å; V143-C145 PolarHBondContact O-N 2.92Å; V143-V146 PolarHBondContact O-N 3.18Å; V143-I147 HydrophobicContact CG1-CD1 3.88Å; V143-I147 HydrophobicContact CG1-CG1 4.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.48Å; V143-I147 PolarHBondContact O-N 3.42Å; V143-G213 WeakPolarHBondContact CG1-O 3.17Å; V143-A216 HydrophobicContact CB-CB 3.76Å; V143-A216 HydrophobicContact CG1-CB 3.83Å
144L98.6Very high96Very high42 Ų4242.8 Ų42.822%0.2221%0.209CC..Hα-helixtrans-60.5-45.2171.8-177.766.3000111.1F140 L142 A148 A216 Y220 L224F140-L144 HydrophobicContact CE1-CD2 3.99Å; F140-L144 HydrophobicContact CZ-CD2 4.2Å; F140-L144 WeakPolarHBondContact O-CB 3.39Å; F140-L144 PolarHBondContact O-N 2.68Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 3.5Å; L144-A148 WeakPolarHBondContact O-CB 3.41Å; L144-A148 PolarHBondContact O-N 3.21Å; L144-A216 HydrophobicContact CB-CB 4.14Å; L144-Y220 HydrophobicContact CD1-CD2 3.7Å; L144-Y220 HydrophobicContact CD1-CG 4.29Å; L144-L224 HydrophobicContact CD1-CD1 4.4Å
145C98.3Very high95.4Very high28 Ų2852 Ų5219%0.18924%0.241CC..Hα-helixtrans-58.7-51.3174.2-177.60000111Q141 L142 V143 I147 A148 V149Q141-C145 WeakPolarHBondContact O-CB 3.31Å; Q141-C145 PolarHBondContact O-N 2.92Å; L142-C145 WeakPolarHBondContact O-CB 3.45Å; L142-C145 PolarHBondContact O-N 2.95Å; L142-C145 VanDerWaalsContact O-N 3.16Å; V143-C145 VanDerWaalsContact C-N 3.35Å; V143-C145 PolarHBondContact O-N 2.92Å; C145-I147 PolarHBondContact O-N 3.4Å; C145-A148 PolarHBondContact O-N 2.72Å; C145-V149 WeakPolarHBondContact O-CG1 3.37Å; C145-V149 WeakPolarHBondContact O-CG2 3.42Å; C145-V149 PolarHBondContact O-N 2.77Å
146V98Very high95Very high11 Ų1156.7 Ų56.77%0.06727%0.266CS..Hα-helixtrans-55-50.9179.6171.80000111.3V74 M78 L142 V143 A148 V149 T150 I165V74-V146 HydrophobicContact CG1-CG1 3.99Å; V74-V146 HydrophobicContact CG1-CG2 4.37Å; M78-V146 HydrophobicContact SD-CG1 4.12Å; L142-V146 HydrophobicContact CD1-CG2 4.28Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 3.47Å; V143-V146 PolarHBondContact O-N 3.18Å; V146-A148 PolarHBondContact O-N 3.32Å; V146-V149 WeakPolarHBondContact O-CG2 3.5Å; V146-V149 PolarHBondContact O-N 3.31Å; V146-T150 WeakPolarHBondContact O-CB 3.34Å; V146-T150 WeakPolarHBondContact O-CG2 3.47Å; V146-T150 PolarHBondContact O-N 3.05Å; V146-T150 PolarHBondContact O-OG1 3.43Å; V146-I165 HydrophobicContact CG2-CD1 4.18Å; V146-I165 HydrophobicContact CG2-CG1 4.04Å; V146-I165 HydrophobicContact CG2-CG2 3.86Å
147I96.4Very high94.2Very high1 Ų157 Ų571%0.00527%0.27CS..Hα-helixtrans-63.2-44.5-179.8-66.3174000110.3M78 V143 C145 V149 T150 D151 A217 Y220M78-I147 HydrophobicContact SD-CG1 4.1Å; V143-I147 HydrophobicContact CG1-CD1 3.88Å; V143-I147 HydrophobicContact CG1-CG1 4.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.48Å; V143-I147 PolarHBondContact O-N 3.42Å; C145-I147 PolarHBondContact O-N 3.4Å; I147-V149 PolarHBondContact O-N 3.42Å; I147-T150 PolarHBondContact O-N 3.42Å; I147-T150 PolarHBondContact O-OG1 3.01Å; I147-D151 PolarHBondContact O-N 3.4Å; I147-A217 VanDerWaalsContact CD1-CA 3.41Å; I147-A217 HydrophobicContact CD1-CB 3.64Å; I147-Y220 HydrophobicContact CG2-CD1 3.32Å; I147-Y220 HydrophobicContact CG2-CD2 4.5Å; I147-Y220 HydrophobicContact CG2-CE1 3.75Å; I147-Y220 HydrophobicContact CG2-CG 3.74Å
148A95.8Very high93Very high16 Ų1658.3 Ų58.313%0.13228%0.283CS..Hα-helixtrans-67.7-31-177.900000114L144 C145 V146 R154 Y220L144-A148 WeakPolarHBondContact O-CB 3.41Å; L144-A148 PolarHBondContact O-N 3.21Å; C145-A148 PolarHBondContact O-N 2.72Å; V146-A148 PolarHBondContact O-N 3.32Å; A148-R154 VanDerWaalsContact O-CD 3.24Å; A148-R154 WeakPolarHBondContact O-CD 3.29Å; A148-R154 PolarHBondContact O-NH1 2.92Å; A148-Y220 HydrophobicContact CB-CD2 4.33Å; A148-Y220 HydrophobicContact CB-CE2 3.59Å
149V94.7Very high92.3Very high29 Ų2960.6 Ų60.618%0.17631%0.308CS..Hα-helixtrans-89-18.2178.9-56.80000113.1C145 V146 I147 A161 A164 I165C145-V149 WeakPolarHBondContact O-CG1 3.37Å; C145-V149 WeakPolarHBondContact O-CG2 3.42Å; C145-V149 PolarHBondContact O-N 2.77Å; V146-V149 WeakPolarHBondContact O-CG2 3.5Å; V146-V149 PolarHBondContact O-N 3.31Å; I147-V149 PolarHBondContact O-N 3.42Å; V149-A161 HydrophobicContact CB-CB 3.99Å; V149-A161 HydrophobicContact CG2-CB 3.99Å; V149-A164 HydrophobicContact CG1-CB 4.23Å; V149-I165 HydrophobicContact CG2-CD1 3.77Å; V149-I165 HydrophobicContact CG2-CG1 3.74Å
150T92.4Very high92.1Very high55 Ų5563.1 Ų63.134%0.33733%0.325SS..Hα-helixtrans-97.3-2.4174.858.70000113.1V146 I147 K152V146-T150 WeakPolarHBondContact O-CB 3.34Å; V146-T150 WeakPolarHBondContact O-CG2 3.47Å; V146-T150 PolarHBondContact O-N 3.05Å; V146-T150 PolarHBondContact O-OG1 3.43Å; I147-T150 PolarHBondContact O-N 3.42Å; I147-T150 PolarHBondContact O-OG1 3.01Å; T150-K152 PolarHBondContact O-N 3.38Å; T150-K152 VanDerWaalsContact O-N 3.07Å
151D91.9Very high91.9Very high15 Ų1562.4 Ų62.48%0.0833%0.327CS..  trans-66.1107.3174.2-169.5-14.8000111.3I147 R153 R154 Y220I147-D151 PolarHBondContact O-N 3.4Å; D151-R153 PolarHBondContact O-N 3.37Å; D151-R153 VanDerWaalsContact O-N 3.08Å; D151-R153 VanDerWaalsContact OD1-CB 3.24Å; D151-R153 WeakPolarHBondContact OD1-CB 3.44Å; D151-R153 VanDerWaalsContact OD1-CG 3.31Å; D151-R153 WeakPolarHBondContact OD1-CG 3.38Å; D151-R153 PolarHBondContact OD1-N 3.05Å; D151-R153 IonicContact OD1-NE 3.51Å; D151-R153 PolarHBondContact OD1-NE 2.97Å; D151-R153 VanDerWaalsContact OD1-NE 3.07Å; D151-R153 IonicContact OD2-CZ 2.82Å; D151-R153 VanDerWaalsContact OD2-CZ 3.29Å; D151-R153 IonicContact OD2-NE 3.07Å; D151-R153 PolarHBondContact OD2-NE 3.48Å; D151-R153 IonicContact OD2-NH2 3.11Å; D151-R153 PolarHBondContact OD2-NH2 3.47Å; D151-R154 HydrophobicContact CB-CG 4.25Å; D151-R154 WeakPolarHBondContact O-CB 3.47Å; D151-R154 PolarHBondContact O-N 2.91Å; D151-Y220 HydrophobicContact CB-CE1 4.37Å; D151-Y220 WeakPolarHBondContact OD2-CE1 3.3Å; D151-Y220 PolarHBondContact OD2-OH 3.09Å
152K87.8Confident91.9Very high201 Ų20161.3 Ų61.387%0.87432%0.324SS*.THydrogen-bonded Turntrans-61.8-15.7179.5-61.4-179.2-179.6178.60113.9T150 R154T150-K152 PolarHBondContact O-N 3.38Å; T150-K152 VanDerWaalsContact O-N 3.07Å; K152-R154 VanDerWaalsContact C-N 3.3Å
153R88.1Confident91.8Very high96 Ų9665 Ų6536%0.36234%0.344SS..THydrogen-bonded Turntrans-76.3-23.3177.1-58.9175.9-63.6168.8-0.2111.9D151 R155 S225 P226D151-R153 PolarHBondContact O-N 3.37Å; D151-R153 VanDerWaalsContact O-N 3.08Å; D151-R153 VanDerWaalsContact OD1-CB 3.24Å; D151-R153 WeakPolarHBondContact OD1-CB 3.44Å; D151-R153 VanDerWaalsContact OD1-CG 3.31Å; D151-R153 WeakPolarHBondContact OD1-CG 3.38Å; D151-R153 PolarHBondContact OD1-N 3.05Å; D151-R153 IonicContact OD1-NE 3.51Å; D151-R153 PolarHBondContact OD1-NE 2.97Å; D151-R153 VanDerWaalsContact OD1-NE 3.07Å; D151-R153 IonicContact OD2-CZ 2.82Å; D151-R153 VanDerWaalsContact OD2-CZ 3.29Å; D151-R153 IonicContact OD2-NE 3.07Å; D151-R153 PolarHBondContact OD2-NE 3.48Å; D151-R153 IonicContact OD2-NH2 3.11Å; D151-R153 PolarHBondContact OD2-NH2 3.47Å; R153-R155 PolarHBondContact O-N 2.65Å; R153-S225 PolarHBondContact NH1-O 2.96Å; R153-S225 PolarHBondContact NH2-O 3.23Å; R153-S225 PolarHBondContact NH2-OG 3.12Å; R153-P226 PolarHBondContact NH1-O 3.37Å
154R87.8Confident91.8Very high92 Ų9266.7 Ų66.735%0.34736%0.358SS..  trans-78.7121.3178.8-70.4-169.768.2-166.55.2110.4A148 D151 K152 D156 V157A148-R154 VanDerWaalsContact O-CD 3.24Å; A148-R154 WeakPolarHBondContact O-CD 3.29Å; A148-R154 PolarHBondContact O-NH1 2.92Å; D151-R154 HydrophobicContact CB-CG 4.25Å; D151-R154 WeakPolarHBondContact O-CB 3.47Å; D151-R154 PolarHBondContact O-N 2.91Å; K152-R154 VanDerWaalsContact C-N 3.3Å; R154-D156 WeakPolarHBondContact CB-OD1 3.13Å; R154-D156 IonicContact CZ-OD1 3.05Å; R154-D156 IonicContact CZ-OD2 3.29Å; R154-D156 IonicContact NE-OD1 2.74Å; R154-D156 PolarHBondContact NE-OD1 3.31Å; R154-D156 VanDerWaalsContact NE-OD1 3.11Å; R154-D156 IonicContact NE-OD2 3.82Å; R154-D156 IonicContact NH2-OD1 3.55Å; R154-D156 IonicContact NH2-OD2 2.72Å; R154-D156 PolarHBondContact NH2-OD2 3.11Å; R154-V157 HydrophobicContact CB-CG2 4.2Å; R154-V157 VanDerWaalsContact CZ-CG2 3.41Å
155R85.9Confident91.8Very high235 Ų23565.9 Ų65.989%0.88735%0.353SS*.  trans-111.4-4.5175.7-57.8-174.5-177.2-169.10.8112.4R153R153-R155 PolarHBondContact O-N 2.65Å
156D89.1Confident91.8Very high99 Ų9964.6 Ų64.653%0.52935%0.345SS..  trans-82.2-17.6-179.362.5-53.6000113R154 T158R154-D156 WeakPolarHBondContact CB-OD1 3.13Å; R154-D156 IonicContact CZ-OD1 3.05Å; R154-D156 IonicContact CZ-OD2 3.29Å; R154-D156 IonicContact NE-OD1 2.74Å; R154-D156 PolarHBondContact NE-OD1 3.31Å; R154-D156 VanDerWaalsContact NE-OD1 3.11Å; R154-D156 IonicContact NE-OD2 3.82Å; R154-D156 IonicContact NH2-OD1 3.55Å; R154-D156 IonicContact NH2-OD2 2.72Å; R154-D156 PolarHBondContact NH2-OD2 3.11Å; D156-T158 PolarHBondContact O-N 3.47Å
157V81.3Confident91.8Very high58 Ų5868.6 Ų68.635%0.35237%0.365SS..  trans-75.2107.3-180-1770000109.8R154R154-V157 HydrophobicContact CB-CG2 4.2Å; R154-V157 VanDerWaalsContact CZ-CG2 3.41Å
158T75.4Confident92Very high143 Ų14368.9 Ų68.988%0.87737%0.367SS*.  trans-110.623.7-178.151.60000113.8D156D156-T158 PolarHBondContact O-N 3.47Å
159G84.1Confident92.1Very high58 Ų5868.4 Ų68.460%0.59836%0.363SS*.SBendtrans-131.2-170.5-176.200000114.7A161G159-A161 PolarHBondContact O-N 3.43Å
160S93.6Very high92.3Very high53 Ų5367.6 Ų67.637%0.37136%0.358SS..  trans-81.9106.6178.4175.20000111.1P162 L163 A164S160-P162 WeakPolarHBondContact OG-CD 3.42Å; S160-L163 PolarHBondContact O-N 2.94Å; S160-L163 WeakPolarHBondContact OG-CB 3.46Å; S160-L163 PolarHBondContact OG-N 3.41Å; S160-A164 PolarHBondContact O-N 2.97Å
161A95.4Very high92.6Very high28 Ų2869.7 Ų69.723%0.23137%0.367CS..Hα-helixtrans-57.5-43.5171.200000112.6V149 G159 L163 A164 I165V149-A161 HydrophobicContact CB-CB 3.99Å; V149-A161 HydrophobicContact CG2-CB 3.99Å; G159-A161 PolarHBondContact O-N 3.43Å; A161-L163 VanDerWaalsContact C-N 3.34Å; A161-L163 PolarHBondContact O-N 2.99Å; A161-A164 PolarHBondContact O-N 2.96Å; A161-I165 WeakPolarHBondContact O-CG1 3.47Å; A161-I165 PolarHBondContact O-N 2.81Å
162P97.5Very high92.8Very high23 Ų2369 Ų6915%0.14936%0.364CS..Hα-helixtrans-55.8-44.2173.3-30.839.5000113.8A56 A59 Q60 S160 I165 G166A56-P162 WeakPolarHBondContact CA-O 3.46Å; A56-P162 WeakPolarHBondContact O-CB 3.49Å; A59-P162 HydrophobicContact CB-CB 3.86Å; A59-P162 HydrophobicContact CB-CG 4.39Å; Q60-P162 HydrophobicContact CB-CB 3.91Å; Q60-P162 HydrophobicContact CB-CG 4.17Å; S160-P162 WeakPolarHBondContact OG-CD 3.42Å; P162-I165 PolarHBondContact O-N 3.38Å; P162-G166 PolarHBondContact O-N 3.02Å
163L98Very high93.3Very high82 Ų8259.5 Ų59.543%0.42932%0.322SS..Hα-helixtrans-64.5-42.8178.1-176.761.3000111.8A56 S160 A161 I165 G166 L167A56-L163 HydrophobicContact CB-CD1 4.31Å; S160-L163 PolarHBondContact O-N 2.94Å; S160-L163 WeakPolarHBondContact OG-CB 3.46Å; S160-L163 PolarHBondContact OG-N 3.41Å; A161-L163 VanDerWaalsContact C-N 3.34Å; A161-L163 PolarHBondContact O-N 2.99Å; L163-I165 VanDerWaalsContact C-N 3.32Å; L163-I165 PolarHBondContact O-N 3.4Å; L163-G166 PolarHBondContact O-N 3.28Å; L163-L167 HydrophobicContact CD1-CD1 4.37Å; L163-L167 HydrophobicContact CD1-CG 4.21Å; L163-L167 HydrophobicContact CG-CD1 4.1Å; L163-L167 HydrophobicContact CG-CG 4.36Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.4Å; L163-L167 PolarHBondContact O-N 3.48Å
164A98.1Very high93.7Very high36 Ų3658.8 Ų58.830%0.29833%0.325SS..Hα-helixtrans-59.3-43.6176.800000111.9V149 S160 A161 L167 S168V149-A164 HydrophobicContact CG1-CB 4.23Å; S160-A164 PolarHBondContact O-N 2.97Å; A161-A164 PolarHBondContact O-N 2.96Å; A164-L167 PolarHBondContact O-N 2.89Å; A164-S168 WeakPolarHBondContact O-CB 3.31Å; A164-S168 PolarHBondContact O-N 3.46Å
165I98.5Very high94Very high24 Ų2457.2 Ų57.212%0.12333%0.332CS..Hα-helixtrans-63.9-46.4176.8-63.5167.4000110.5I55 L142 V146 V149 A161 P162 L163 L167 S168 V169I55-I165 HydrophobicContact CG2-CG2 3.83Å; L142-I165 HydrophobicContact CD1-CG2 4.22Å; V146-I165 HydrophobicContact CG2-CD1 4.18Å; V146-I165 HydrophobicContact CG2-CG1 4.04Å; V146-I165 HydrophobicContact CG2-CG2 3.86Å; V149-I165 HydrophobicContact CG2-CD1 3.77Å; V149-I165 HydrophobicContact CG2-CG1 3.74Å; A161-I165 WeakPolarHBondContact O-CG1 3.47Å; A161-I165 PolarHBondContact O-N 2.81Å; P162-I165 PolarHBondContact O-N 3.38Å; L163-I165 VanDerWaalsContact C-N 3.32Å; L163-I165 PolarHBondContact O-N 3.4Å; I165-L167 PolarHBondContact O-N 3.19Å; I165-S168 WeakPolarHBondContact O-CB 3.33Å; I165-S168 PolarHBondContact O-N 2.86Å; I165-S168 VanDerWaalsContact O-N 3.15Å; I165-V169 PolarHBondContact O-N 2.87Å
166G98.6Very high94.5Very high1 Ų146 Ų461%0.0129%0.289CS..Hα-helixtrans-63.1-39.7178.100000113.4G52 P162 L163 S168 V169 C170G52-G166 CarbonylContact C-O 3.4Å; G52-G166 WeakPolarHBondContact CA-O 3.4Å; G52-G166 CarbonylContact O-C 3.18Å; G52-G166 WeakPolarHBondContact O-CA 3.44Å; P162-G166 PolarHBondContact O-N 3.02Å; L163-G166 PolarHBondContact O-N 3.28Å; G166-S168 VanDerWaalsContact C-N 3.31Å; G166-S168 PolarHBondContact O-N 3.29Å; G166-V169 WeakPolarHBondContact O-CB 3.5Å; G166-V169 PolarHBondContact O-N 3.39Å; G166-C170 PolarHBondContact O-N 2.89Å
167L98.6Very high94.7Very high95 Ų9542.7 Ų42.750%0.49727%0.271SS..Hα-helixtrans-65.5-34.4173.4-69.5176.4000112.1L163 A164 I165 C170 L171L163-L167 HydrophobicContact CD1-CD1 4.37Å; L163-L167 HydrophobicContact CD1-CG 4.21Å; L163-L167 HydrophobicContact CG-CD1 4.1Å; L163-L167 HydrophobicContact CG-CG 4.36Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.4Å; L163-L167 PolarHBondContact O-N 3.48Å; A164-L167 PolarHBondContact O-N 2.89Å; I165-L167 PolarHBondContact O-N 3.19Å; L167-C170 WeakPolarHBondContact O-CB 3.41Å; L167-C170 PolarHBondContact O-N 2.93Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 PolarHBondContact O-N 3.39Å
168S98.8Very high95.2Very high8 Ų842.2 Ų42.26%0.05627%0.271CS..Hα-helixtrans-66.6-36.4173.1175.40000112.5Q141 L142 A164 I165 G166 L171 G172Q141-S168 PolarHBondContact NE2-O 3.32Å; Q141-S168 PolarHBondContact NE2-OG 2.67Å; Q141-S168 PolarHBondContact OE1-OG 3.46Å; L142-S168 VanDerWaalsContact CA-OG 3.3Å; L142-S168 WeakPolarHBondContact CA-OG 3.46Å; A164-S168 WeakPolarHBondContact O-CB 3.31Å; A164-S168 PolarHBondContact O-N 3.46Å; I165-S168 WeakPolarHBondContact O-CB 3.33Å; I165-S168 PolarHBondContact O-N 2.86Å; I165-S168 VanDerWaalsContact O-N 3.15Å; G166-S168 VanDerWaalsContact C-N 3.31Å; G166-S168 PolarHBondContact O-N 3.29Å; S168-L171 PolarHBondContact O-N 3.16Å; S168-G172 PolarHBondContact O-N 3.33Å; S168-G172 VanDerWaalsContact O-N 3.09Å
169V98.7Very high96.1Very high6 Ų640.8 Ų40.84%0.03625%0.25CS..Hα-helixtrans-63.8-45.1169.9170.90000111F51 I55 L142 I165 G166 L171 G172 H173 I184F51-V169 HydrophobicContact CB-CG1 4.2Å; I55-V169 HydrophobicContact CB-CG2 4.21Å; I55-V169 HydrophobicContact CG1-CG1 4.22Å; I55-V169 HydrophobicContact CG1-CG2 4.1Å; I55-V169 HydrophobicContact CG2-CG2 4Å; L142-V169 HydrophobicContact CD1-CG2 3.5Å; L142-V169 HydrophobicContact CD2-CG2 3.93Å; L142-V169 HydrophobicContact CG-CG2 4.37Å; I165-V169 PolarHBondContact O-N 2.87Å; G166-V169 WeakPolarHBondContact O-CB 3.5Å; G166-V169 PolarHBondContact O-N 3.39Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.48Å; V169-G172 PolarHBondContact O-N 3.06Å; V169-H173 PolarHBondContact O-N 3.09Å; V169-H173 VanDerWaalsContact O-N 3.09Å; V169-H173 PolarHBondContact O-ND1 3.48Å; V169-I184 HydrophobicContact CG1-CD1 4.34Å
170C98.4Very high96.7Very high11 Ų1138 Ų387%0.07422%0.222CC..Hα-helixtrans-56.5-45.7175.2-178.20000111.3G166 L167 G172 H173 L174G166-C170 PolarHBondContact O-N 2.89Å; L167-C170 WeakPolarHBondContact O-CB 3.41Å; L167-C170 PolarHBondContact O-N 2.93Å; C170-G172 PolarHBondContact O-N 3.13Å; C170-H173 WeakPolarHBondContact O-CB 3.4Å; C170-H173 PolarHBondContact O-N 2.74Å; C170-H173 VanDerWaalsContact O-N 3.12Å; C170-L174 WeakPolarHBondContact O-CG 3.33Å; C170-L174 PolarHBondContact O-N 2.78Å
171L98.3Very high96.7Very high99 Ų9936.6 Ų36.652%0.51822%0.215SC..Hα-helixtrans-59.4-44177.5179.762.1000112.4L167 S168 V169 H173 L174 A175L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 PolarHBondContact O-N 3.39Å; S168-L171 PolarHBondContact O-N 3.16Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.48Å; L171-H173 VanDerWaalsContact C-N 3.28Å; L171-H173 PolarHBondContact O-N 2.69Å; L171-L174 PolarHBondContact O-N 3.27Å; L171-A175 PolarHBondContact O-N 3.11Å; L171-A175 VanDerWaalsContact O-N 3.12Å
172G98.1Very high96.7Very high2 Ų235.2 Ų35.22%0.02120%0.204CC..Hα-helixtrans-60.4-38175.200000112.6S168 V169 C170 A175 A176 C182S168-G172 PolarHBondContact O-N 3.33Å; S168-G172 VanDerWaalsContact O-N 3.09Å; V169-G172 PolarHBondContact O-N 3.06Å; C170-G172 PolarHBondContact O-N 3.13Å; G172-A175 PolarHBondContact O-N 3.41Å; G172-A176 VanDerWaalsContact O-CB 3.27Å; G172-A176 WeakPolarHBondContact O-CB 3.4Å; G172-A176 PolarHBondContact O-N 3.33Å; G172-C182 PolarHBondContact O-SG 3.29Å
173H96.9Very high96.6Very high1 Ų134.2 Ų34.21%0.00520%0.197CC..Hα-helixtrans-68.3-46.6176.5-7672.4000112.2S48 F51 V169 C170 L171 A175 A176 I177 C182S48-H173 VanDerWaalsContact OG-CB 3.27Å; S48-H173 WeakPolarHBondContact OG-CB 3.33Å; F51-H173 AromaticContact CD1-CE1 3.6Å; F51-H173 AromaticContact CD1-NE2 3.09Å; F51-H173 WeakPolarHBondContact CD1-NE2 3.45Å; F51-H173 AromaticContact CD2-CD2 3.96Å; F51-H173 AromaticContact CD2-NE2 3.81Å; F51-H173 AromaticContact CE1-NE2 3.62Å; F51-H173 AromaticContact CG-CD2 3.7Å; F51-H173 AromaticContact CG-CE1 3.75Å; F51-H173 AromaticContact CG-NE2 3.19Å; F51-H173 WeakPolarHBondContact CG-NE2 3.24Å; V169-H173 PolarHBondContact O-N 3.09Å; V169-H173 VanDerWaalsContact O-N 3.09Å; V169-H173 PolarHBondContact O-ND1 3.48Å; C170-H173 WeakPolarHBondContact O-CB 3.4Å; C170-H173 PolarHBondContact O-N 2.74Å; C170-H173 VanDerWaalsContact O-N 3.12Å; L171-H173 VanDerWaalsContact C-N 3.28Å; L171-H173 PolarHBondContact O-N 2.69Å; H173-A175 PolarHBondContact O-N 2.71Å; H173-A175 VanDerWaalsContact O-N 3.15Å; H173-A176 PolarHBondContact O-N 3.15Å; H173-I177 HydrophobicContact CB-CD1 3.85Å; H173-I177 HydrophobicContact CB-CG1 4.2Å; H173-I177 WeakPolarHBondContact O-CB 3.33Å; H173-I177 WeakPolarHBondContact O-CG1 3.11Å; H173-I177 PolarHBondContact O-N 3.42Å; H173-C182 VanDerWaalsContact CA-SG 3.53Å; H173-C182 HydrophobicContact CB-CB 4.47Å
174L96Very high96.6Very high81 Ų8130.5 Ų30.542%0.42418%0.178SC..Hα-helixtrans-57.2-30.4175.8-70171.8000112.3V45 S48 C170 L171V45-L174 HydrophobicContact CG2-CD2 4.21Å; S48-L174 WeakPolarHBondContact OG-CD2 3.35Å; S48-L174 PolarHBondContact OG-N 2.98Å; C170-L174 WeakPolarHBondContact O-CG 3.33Å; C170-L174 PolarHBondContact O-N 2.78Å; L171-L174 PolarHBondContact O-N 3.27Å
175A95.5Very high96.6Very high58 Ų5829 Ų2948%0.47917%0.165SC..Hα-helixtrans-86.2-36.1179.500000114L171 G172 H173 Y179L171-A175 PolarHBondContact O-N 3.11Å; L171-A175 VanDerWaalsContact O-N 3.12Å; G172-A175 PolarHBondContact O-N 3.41Å; H173-A175 PolarHBondContact O-N 2.71Å; H173-A175 VanDerWaalsContact O-N 3.15Å; A175-Y179 WeakPolarHBondContact O-CD2 3.21Å; A175-Y179 WeakPolarHBondContact O-CE2 3.39Å
176A96.3Very high96.6Very high0 Ų027.9 Ų27.90%016%0.159CC..Hα-helixtrans-110-15.3-164.700000115.2I134 A138 G172 H173 S178 Y179 T180 C182I134-A176 HydrophobicContact CG2-CB 3.69Å; A138-A176 HydrophobicContact CB-CB 4.39Å; G172-A176 VanDerWaalsContact O-CB 3.27Å; G172-A176 WeakPolarHBondContact O-CB 3.4Å; G172-A176 PolarHBondContact O-N 3.33Å; H173-A176 PolarHBondContact O-N 3.15Å; A176-S178 PolarHBondContact O-N 2.9Å; A176-Y179 PolarHBondContact O-N 3.45Å; A176-T180 PolarHBondContact O-N 2.87Å; A176-T180 PolarHBondContact O-OG1 3.3Å; A176-C182 HydrophobicContact CB-CB 3.93Å
177I93.3Very high96.6Very high29 Ų2927.9 Ų27.915%0.14916%0.159CC..Hα-helixtrans-55-50.2-176.5-79.6170.5000111.3E44 V47 S48 H173 Y179 G181 C182E44-I177 HydrophobicContact CG-CG2 3.88Å; V47-I177 HydrophobicContact CB-CD1 4.04Å; V47-I177 HydrophobicContact CG1-CD1 3.73Å; S48-I177 WeakPolarHBondContact OG-CD1 3.19Å; H173-I177 HydrophobicContact CB-CD1 3.85Å; H173-I177 HydrophobicContact CB-CG1 4.2Å; H173-I177 WeakPolarHBondContact O-CB 3.33Å; H173-I177 WeakPolarHBondContact O-CG1 3.11Å; H173-I177 PolarHBondContact O-N 3.42Å; I177-Y179 PolarHBondContact O-N 3.32Å; I177-Y179 VanDerWaalsContact O-N 3.09Å; I177-G181 VanDerWaalsContact O-CA 3.29Å; I177-G181 WeakPolarHBondContact O-CA 3.47Å; I177-G181 PolarHBondContact O-N 2.82Å; I177-C182 HydrophobicContact CG1-CB 3.82Å
178S91.6Very high96.6Very high49 Ų4923.8 Ų23.834%0.34314%0.137SC..Hα-helixtrans-64.8-20.5-172.8-36.20000113.7E44 A176E44-S178 PolarHBondContact OE1-OG 3.45Å; E44-S178 PolarHBondContact OE2-OG 3.11Å; A176-S178 PolarHBondContact O-N 2.9Å
179Y94.7Very high96.6Very high113 Ų11323.5 Ų23.544%0.44314%0.135SC..Hα-helixtrans-101.7-38.2-176.9-56.3-72.6000113.5L123 N124 V126 I134 A175 A176 I177L123-Y179 WeakPolarHBondContact CA-O 3.37Å; N124-Y179 PolarHBondContact N-O 3.01Å; V126-Y179 HydrophobicContact CG1-CD1 3.64Å; V126-Y179 HydrophobicContact CG1-CE1 4.49Å; V126-Y179 HydrophobicContact CG1-CG 4.36Å; V126-Y179 WeakPolarHBondContact CG2-O 3.31Å; I134-Y179 HydrophobicContact CD1-CD1 4.23Å; I134-Y179 HydrophobicContact CD1-CD2 4.02Å; I134-Y179 HydrophobicContact CD1-CG 3.68Å; A175-Y179 WeakPolarHBondContact O-CD2 3.21Å; A175-Y179 WeakPolarHBondContact O-CE2 3.39Å; A176-Y179 PolarHBondContact O-N 3.45Å; I177-Y179 PolarHBondContact O-N 3.32Å; I177-Y179 VanDerWaalsContact O-N 3.09Å
180T96.2Very high96.6Very high0 Ų025 Ų250%014%0.141CC..Hα-helixtrans-135.1-3.8-166.560.80000113.3N121 S122 L123 I134 E135 A176 C182 Y205N121-T180 PolarHBondContact ND2-O 3.38Å; S122-T180 PolarHBondContact N-O 3.37Å; S122-T180 CarbonylContact O-C 3.52Å; S122-T180 VanDerWaalsContact O-CA 3.3Å; S122-T180 WeakPolarHBondContact O-CA 3.23Å; L123-T180 HydrophobicContact CD2-CG2 4.07Å; I134-T180 HydrophobicContact CB-CG2 4.46Å; I134-T180 HydrophobicContact CG2-CG2 4.32Å; E135-T180 HydrophobicContact CG-CG2 4.41Å; E135-T180 WeakPolarHBondContact OE1-CB 3.5Å; E135-T180 PolarHBondContact OE1-OG1 3.39Å; E135-T180 VanDerWaalsContact OE1-OG1 3.09Å; A176-T180 PolarHBondContact O-N 2.87Å; A176-T180 PolarHBondContact O-OG1 3.3Å; T180-C182 PolarHBondContact O-N 3.35Å; T180-C182 PolarHBondContact OG1-N 3.41Å; T180-Y205 WeakPolarHBondContact O-CE1 3.33Å; T180-Y205 PolarHBondContact O-OH 3.05Å; T180-Y205 VanDerWaalsContact O-OH 3.13Å
181G92.9Very high96.6Very high22 Ų2224.5 Ų24.523%0.22714%0.137CC..  trans72.95.5-166.500000114.1N121 I177N121-G181 PolarHBondContact ND2-O 3.1Å; N121-G181 VanDerWaalsContact ND2-O 3.14Å; I177-G181 VanDerWaalsContact O-CA 3.29Å; I177-G181 WeakPolarHBondContact O-CA 3.47Å; I177-G181 PolarHBondContact O-N 2.82Å
182C96.1Very high96.5Very high0 Ų019.8 Ų19.80%011%0.113CC..  trans54.195-172.9-167.90000113.1N121 G172 H173 A176 I177 T180 R188N121-C182 PolarHBondContact ND2-O 3.36Å; N121-C182 VanDerWaalsContact ND2-O 3.07Å; G172-C182 PolarHBondContact O-SG 3.29Å; H173-C182 VanDerWaalsContact CA-SG 3.53Å; H173-C182 HydrophobicContact CB-CB 4.47Å; A176-C182 HydrophobicContact CB-CB 3.93Å; I177-C182 HydrophobicContact CG1-CB 3.82Å; T180-C182 PolarHBondContact O-N 3.35Å; T180-C182 PolarHBondContact OG1-N 3.41Å; C182-R188 PolarHBondContact O-NE 2.96Å
183G94.3Very high96.5Very high1 Ų119.7 Ų19.71%0.0111%0.112CC..  trans-76.1-71.2171.100000110.6N121 E135 N185N121-G183 PolarHBondContact ND2-N 3.07Å; E135-G183 WeakPolarHBondContact OE1-CA 3.36Å; E135-G183 PolarHBondContact OE1-N 3.08Å; E135-G183 PolarHBondContact OE2-N 3.47Å; G183-N185 WeakPolarHBondContact O-CB 3.47Å; G183-N185 PolarHBondContact O-N 2.94Å
184I98.2Very high96.6Very high4 Ų423.3 Ų23.32%0.02113%0.131CC..  trans44.12.1-173.869172000116.4N71 E135 A138 T139 L142 V169N71-I184 PolarHBondContact ND2-O 3.14Å; E135-I184 WeakPolarHBondContact OE2-CA 3.15Å; E135-I184 PolarHBondContact OE2-N 2.98Å; A138-I184 HydrophobicContact CB-CG2 3.52Å; T139-I184 VanDerWaalsContact OG1-CA 3.32Å; T139-I184 WeakPolarHBondContact OG1-CA 3.39Å; L142-I184 HydrophobicContact CD2-CD1 4.17Å; V169-I184 HydrophobicContact CG1-CD1 4.34Å
185N98.7Very high96.6Very high6 Ų622.3 Ų22.33%0.03213%0.125CC..SBendtrans-154.2103.2-170-180-25.5000108.2L70 N71 P72 G183 A187 R188 S189L70-N185 PolarHBondContact O-ND2 2.73Å; N71-N185 HydrophobicContact CB-CB 4.37Å; N71-N185 WeakPolarHBondContact CB-ND2 3.14Å; N71-N185 VanDerWaalsContact CG-CG 3.48Å; N71-N185 WeakPolarHBondContact ND2-CB 3.19Å; N71-N185 WeakPolarHBondContact OD1-CA 3.32Å; P72-N185 WeakPolarHBondContact CD-OD1 3.37Å; G183-N185 WeakPolarHBondContact O-CB 3.47Å; G183-N185 PolarHBondContact O-N 2.94Å; N185-A187 VanDerWaalsContact C-N 3.28Å; N185-A187 PolarHBondContact O-N 3.32Å; N185-A187 PolarHBondContact OD1-N 3.16Å; N185-A187 VanDerWaalsContact OD1-N 3.1Å; N185-R188 HydrophobicContact CB-CB 3.77Å; N185-R188 WeakPolarHBondContact O-CB 3.4Å; N185-R188 PolarHBondContact O-N 2.82Å; N185-R188 VanDerWaalsContact O-N 3.14Å; N185-R188 PolarHBondContact OD1-N 3.24Å; N185-R188 VanDerWaalsContact OD1-N 3.12Å; N185-S189 PolarHBondContact O-N 3.15Å
186P98.8Very high96.6Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-58.3-36.3-177.1-2733.9000114.1N71 P72 A73 S189 F190 Y205 W206 P209 M210N71-P186 WeakPolarHBondContact OD1-CD 3.46Å; P72-P186 HydrophobicContact CB-CB 4.2Å; P72-P186 HydrophobicContact CB-CG 4.12Å; P72-P186 HydrophobicContact CG-CB 4.18Å; A73-P186 HydrophobicContact CB-CG 4.49Å; P186-S189 PolarHBondContact O-N 2.7Å; P186-F190 VanDerWaalsContact O-CB 3.28Å; P186-F190 WeakPolarHBondContact O-CB 3.28Å; P186-F190 PolarHBondContact O-N 3.36Å; P186-Y205 WeakPolarHBondContact CA-O 3.14Å; P186-Y205 WeakPolarHBondContact CG-O 3.48Å; P186-W206 HydrophobicContact CB-CD2 3.63Å; P186-W206 HydrophobicContact CB-CE3 3.62Å; P186-W206 HydrophobicContact CB-CG 4.2Å; P186-W206 HydrophobicContact CB-CH2 4.03Å; P186-W206 HydrophobicContact CB-CZ2 4.04Å; P186-W206 HydrophobicContact CB-CZ3 3.83Å; P186-W206 HydrophobicContact CG-CE3 4.31Å; P186-P209 HydrophobicContact CG-CB 4.12Å; P186-M210 HydrophobicContact CB-CE 4.43Å; P186-M210 HydrophobicContact CG-CE 4.01Å; P186-M210 HydrophobicContact CG-CG 4.27Å; P186-M210 HydrophobicContact CG-SD 4.25Å
187A98.7Very high96.6Very high0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-69.1-39.1179.100000111.6M21 P72 Q96 M97 S100 N185 S189 F190 G191M21-A187 HydrophobicContact CE-CB 3.62Å; P72-A187 HydrophobicContact CG-CB 3.63Å; Q96-A187 HydrophobicContact CB-CB 3.96Å; M97-A187 HydrophobicContact CG-CB 4.22Å; S100-A187 VanDerWaalsContact CB-O 3.23Å; S100-A187 WeakPolarHBondContact CB-O 3.42Å; S100-A187 PolarHBondContact OG-O 2.97Å; N185-A187 VanDerWaalsContact C-N 3.28Å; N185-A187 PolarHBondContact O-N 3.32Å; N185-A187 PolarHBondContact OD1-N 3.16Å; N185-A187 VanDerWaalsContact OD1-N 3.1Å; A187-S189 VanDerWaalsContact C-N 3.3Å; A187-S189 PolarHBondContact O-N 2.96Å; A187-F190 WeakPolarHBondContact O-CB 3.16Å; A187-F190 PolarHBondContact O-N 3.03Å; A187-G191 PolarHBondContact O-N 3.43Å; A187-G191 VanDerWaalsContact O-N 3.09Å
188R98.3Very high96.8Very high10 Ų1030.1 Ų30.14%0.03816%0.159CC..Hα-helixtrans-60.5-37.6174.4172.2-94-176.7-89.810.1112.8M21 F24 I25 F51 G119 N121 C182 N185 P192M21-R188 HydrophobicContact CE-CB 4.13Å; F24-R188 HydrophobicContact CE1-CB 4.48Å; I25-R188 HydrophobicContact CD1-CB 3.55Å; I25-R188 HydrophobicContact CD1-CG 3.55Å; F51-R188 HydrophobicContact CE1-CG 4.04Å; G119-R188 PolarHBondContact O-NH1 2.95Å; G119-R188 PolarHBondContact O-NH2 3.45Å; N121-R188 PolarHBondContact OD1-NH1 3.46Å; C182-R188 PolarHBondContact O-NE 2.96Å; N185-R188 HydrophobicContact CB-CB 3.77Å; N185-R188 WeakPolarHBondContact O-CB 3.4Å; N185-R188 PolarHBondContact O-N 2.82Å; N185-R188 VanDerWaalsContact O-N 3.14Å; N185-R188 PolarHBondContact OD1-N 3.24Å; N185-R188 VanDerWaalsContact OD1-N 3.12Å; R188-P192 WeakPolarHBondContact O-CD 3.5Å
189S98.4Very high97Very high1 Ų132 Ų321%0.00716%0.161CC..Hα-helixtrans-74.5-37.4175.8-58.30000111N121 N185 P186 A187 A193 H202 Y205N121-S189 WeakPolarHBondContact OD1-CA 3.3Å; N121-S189 WeakPolarHBondContact OD1-CB 3.38Å; N121-S189 PolarHBondContact OD1-OG 3.43Å; N185-S189 PolarHBondContact O-N 3.15Å; P186-S189 PolarHBondContact O-N 2.7Å; A187-S189 VanDerWaalsContact C-N 3.3Å; A187-S189 PolarHBondContact O-N 2.96Å; S189-A193 WeakPolarHBondContact O-CB 3.45Å; S189-H202 PolarHBondContact O-CE1 3.5Å; S189-Y205 WeakPolarHBondContact OG-CB 3.38Å
190F98.7Very high97.2Very high38 Ų3831.2 Ų31.217%0.16717%0.168CC..Hα-helixtrans-63.1-46.2-178.8174.6-100.8000114.1M97 P186 A187 A193 L194 F199 W206M97-F190 HydrophobicContact CB-CD1 4.14Å; M97-F190 HydrophobicContact CB-CE1 4.22Å; M97-F190 HydrophobicContact CE-CD1 3.75Å; M97-F190 HydrophobicContact CE-CD2 3.85Å; M97-F190 HydrophobicContact CE-CE1 3.67Å; M97-F190 HydrophobicContact CE-CE2 3.77Å; M97-F190 HydrophobicContact CE-CG 3.84Å; M97-F190 HydrophobicContact CE-CZ 3.68Å; M97-F190 HydrophobicContact CG-CD1 4.34Å; P186-F190 VanDerWaalsContact O-CB 3.28Å; P186-F190 WeakPolarHBondContact O-CB 3.28Å; P186-F190 PolarHBondContact O-N 3.36Å; A187-F190 WeakPolarHBondContact O-CB 3.16Å; A187-F190 PolarHBondContact O-N 3.03Å; F190-A193 PolarHBondContact O-N 2.96Å; F190-L194 HydrophobicContact CE1-CB 4.37Å; F190-L194 HydrophobicContact CE1-CD2 3.83Å; F190-L194 HydrophobicContact CE2-CB 4.47Å; F190-L194 HydrophobicContact CZ-CB 4.21Å; F190-L194 HydrophobicContact CZ-CD1 4.17Å; F190-L194 HydrophobicContact CZ-CD2 3.83Å; F190-L194 HydrophobicContact CZ-CG 4.3Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 PolarHBondContact O-N 3.11Å; F190-F199 HydrophobicContact CD2-CE1 4.26Å; F190-F199 HydrophobicContact CE2-CE1 4.32Å; F190-W206 HydrophobicContact CB-CZ2 4.21Å; F190-W206 HydrophobicContact CD2-CZ2 4.46Å
191G98.2Very high97.3Very high0 Ų034.3 Ų34.30%019%0.185CC..Hα-helixtrans-54.2-55.9-175.300000113.7S100 A187 A193 L194 I195S100-G191 WeakPolarHBondContact OG-CA 3.41Å; A187-G191 PolarHBondContact O-N 3.43Å; A187-G191 VanDerWaalsContact O-N 3.09Å; G191-A193 PolarHBondContact O-N 2.74Å; G191-L194 PolarHBondContact O-N 2.83Å; G191-I195 WeakPolarHBondContact O-CG1 3.32Å; G191-I195 PolarHBondContact O-N 3.25Å
192P96.8Very high97.5Very high0 Ų034.2 Ų34.20%018%0.178CC..Hα-helixtrans-63.3-39.4178.5-27.338.3000113.6I29 S104 L118 L120 R188 L194 I195 L196I29-P192 HydrophobicContact CD1-CG 3.36Å; S104-P192 VanDerWaalsContact OG-CD 3.29Å; S104-P192 WeakPolarHBondContact OG-CD 3.44Å; L118-P192 HydrophobicContact CB-CB 4.34Å; L118-P192 HydrophobicContact CD2-CB 4.3Å; L118-P192 HydrophobicContact CG-CB 4.32Å; L118-P192 WeakPolarHBondContact O-CB 3.34Å; L118-P192 WeakPolarHBondContact O-CG 3.26Å; L120-P192 HydrophobicContact CD1-CB 4.2Å; R188-P192 WeakPolarHBondContact O-CD 3.5Å; P192-L194 VanDerWaalsContact C-N 3.32Å; P192-L194 PolarHBondContact O-N 3.06Å; P192-I195 PolarHBondContact O-N 3.24Å; P192-L196 WeakPolarHBondContact O-CB 3.38Å; P192-L196 WeakPolarHBondContact O-CG 3.32Å; P192-L196 PolarHBondContact O-N 3.35Å
193A97.8Very high97.6Very high0 Ų040.5 Ų40.50%020%0.202CC..Hα-helixtrans-59.9-42.8177.300000111.6L120 S189 F190 G191 N197 D198 F199L120-A193 VanDerWaalsContact CD1-CA 3.49Å; L120-A193 HydrophobicContact CD1-CB 3.83Å; S189-A193 WeakPolarHBondContact O-CB 3.45Å; F190-A193 PolarHBondContact O-N 2.96Å; G191-A193 PolarHBondContact O-N 2.74Å; A193-N197 CarbonylContact O-C 3.51Å; A193-N197 VanDerWaalsContact O-CA 3.26Å; A193-N197 WeakPolarHBondContact O-CA 3.45Å; A193-N197 PolarHBondContact O-N 3.18Å; A193-D198 VanDerWaalsContact CA-O 3.32Å; A193-D198 WeakPolarHBondContact CA-O 3.25Å; A193-D198 WeakPolarHBondContact CB-O 3.43Å; A193-D198 PolarHBondContact O-N 3.01Å; A193-F199 HydrophobicContact CB-CD1 3.99Å; A193-F199 HydrophobicContact CB-CE1 3.87Å; A193-F199 HydrophobicContact CB-CZ 4.32Å
194L98.3Very high97.8Very high78 Ų7840.4 Ų40.441%0.40820%0.202SC..Hα-helixtrans-63.4-46.4176.8-17868.8000112.1A101 F190 G191 P192 N197 F199A101-L194 HydrophobicContact CB-CD2 3.79Å; F190-L194 HydrophobicContact CE1-CB 4.37Å; F190-L194 HydrophobicContact CE1-CD2 3.83Å; F190-L194 HydrophobicContact CE2-CB 4.47Å; F190-L194 HydrophobicContact CZ-CB 4.21Å; F190-L194 HydrophobicContact CZ-CD1 4.17Å; F190-L194 HydrophobicContact CZ-CD2 3.83Å; F190-L194 HydrophobicContact CZ-CG 4.3Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 PolarHBondContact O-N 3.11Å; G191-L194 PolarHBondContact O-N 2.83Å; P192-L194 VanDerWaalsContact C-N 3.32Å; P192-L194 PolarHBondContact O-N 3.06Å; L194-N197 PolarHBondContact O-N 3.15Å; L194-F199 HydrophobicContact CB-CZ 4.37Å; L194-F199 HydrophobicContact CD1-CZ 4.34Å
195I97.3Very high97.9Very high59 Ų5940.3 Ų40.330%0.30320%0.201SC..Hα-helixtrans-70.2-36.4-176.7-61.9-60000111.9F108 L118 G191 P192F108-I195 HydrophobicContact CB-CG2 3.82Å; F108-I195 HydrophobicContact CD2-CG2 3.68Å; F108-I195 HydrophobicContact CE2-CG2 4.37Å; F108-I195 HydrophobicContact CG-CG2 3.79Å; L118-I195 HydrophobicContact CD2-CB 3.8Å; L118-I195 HydrophobicContact CD2-CG1 4.49Å; L118-I195 HydrophobicContact CD2-CG2 3.72Å; G191-I195 WeakPolarHBondContact O-CG1 3.32Å; G191-I195 PolarHBondContact O-N 3.25Å; P192-I195 PolarHBondContact O-N 3.24Å
196L95Very high97.9Very high57 Ų5743 Ų4330%0.29821%0.211SC..Hα-helixtrans-87.2-6.5177.6-62.2179.9000113.4F108 L118 L120 P192 D198F108-L196 HydrophobicContact CD2-CD2 4.08Å; F108-L196 HydrophobicContact CE2-CD2 3.9Å; L118-L196 HydrophobicContact CB-CD1 3.7Å; L118-L196 HydrophobicContact CB-CD2 4.36Å; L118-L196 HydrophobicContact CB-CG 4.1Å; L118-L196 HydrophobicContact CD2-CD2 4.39Å; L118-L196 HydrophobicContact CD2-CG 4.15Å; L120-L196 HydrophobicContact CB-CD1 4.45Å; P192-L196 WeakPolarHBondContact O-CB 3.38Å; P192-L196 WeakPolarHBondContact O-CG 3.32Å; P192-L196 PolarHBondContact O-N 3.35Å; L196-D198 HydrophobicContact CB-CB 4.45Å; L196-D198 PolarHBondContact O-N 2.98Å
197N96.7Very high97.9Very high135 Ų13546 Ų4672%0.72223%0.229SC*.THydrogen-bonded Turntrans5141.1-171.1-168.548.3000112.8A193 L194A193-N197 CarbonylContact O-C 3.51Å; A193-N197 VanDerWaalsContact O-CA 3.26Å; A193-N197 WeakPolarHBondContact O-CA 3.45Å; A193-N197 PolarHBondContact O-N 3.18Å; L194-N197 PolarHBondContact O-N 3.15Å
198D96.4Very high97.9Very high60 Ų6046 Ų4632%0.32123%0.229SC..  trans-122.7108.7178.9-173.6-7.5000109.8L120 A193 L196 T200L120-D198 HydrophobicContact CD2-CB 3.93Å; L120-D198 WeakPolarHBondContact CD2-OD2 3.48Å; A193-D198 VanDerWaalsContact CA-O 3.32Å; A193-D198 WeakPolarHBondContact CA-O 3.25Å; A193-D198 WeakPolarHBondContact CB-O 3.43Å; A193-D198 PolarHBondContact O-N 3.01Å; L196-D198 HydrophobicContact CB-CB 4.45Å; L196-D198 PolarHBondContact O-N 2.98Å; D198-T200 VanDerWaalsContact OD1-CB 3.28Å; D198-T200 WeakPolarHBondContact OD1-CB 3.19Å; D198-T200 PolarHBondContact OD1-N 2.77Å; D198-T200 PolarHBondContact OD1-OG1 3.42Å
199F97.4Very high97.9Very high88 Ų8845.6 Ų45.639%0.38623%0.227SC..  trans-114.824.6-179.6-67.4-89.3000112F190 A193 L194 D201 H202F190-F199 HydrophobicContact CD2-CE1 4.26Å; F190-F199 HydrophobicContact CE2-CE1 4.32Å; A193-F199 HydrophobicContact CB-CD1 3.99Å; A193-F199 HydrophobicContact CB-CE1 3.87Å; A193-F199 HydrophobicContact CB-CZ 4.32Å; L194-F199 HydrophobicContact CB-CZ 4.37Å; L194-F199 HydrophobicContact CD1-CZ 4.34Å; F199-D201 PolarHBondContact O-N 3.28Å; F199-H202 HydrophobicContact CB-CB 3.98Å; F199-H202 HydrophobicContact CD1-CB 4.1Å; F199-H202 AromaticContact CD1-CD2 3.8Å; F199-H202 AromaticContact CD1-CG 3.73Å; F199-H202 VanDerWaalsContact O-CB 3.23Å; F199-H202 WeakPolarHBondContact O-CB 3.17Å; F199-H202 PolarHBondContact O-N 3.12Å; F199-H202 VanDerWaalsContact O-N 3.09Å
200T97.4Very high97.9Very high96 Ų9647.1 Ų47.159%0.58924%0.235SC*.THydrogen-bonded Turntrans-56.7124.8176.3-54.30000110.2D198 H202D198-T200 VanDerWaalsContact OD1-CB 3.28Å; D198-T200 WeakPolarHBondContact OD1-CB 3.19Å; D198-T200 PolarHBondContact OD1-N 2.77Å; D198-T200 PolarHBondContact OD1-OG1 3.42Å; T200-H202 PolarHBondContact O-N 3.18Å
201D98Very high97.9Very high65 Ų6548.3 Ų48.335%0.34825%0.247SC..THydrogen-bonded Turntrans50.719.9-176-63.7-56.3000115.4L123 F199 W203 V204L123-D201 HydrophobicContact CD1-CB 3.93Å; L123-D201 HydrophobicContact CG-CB 4.32Å; F199-D201 PolarHBondContact O-N 3.28Å; D201-W203 PolarHBondContact O-N 3.28Å; D201-V204 HydrophobicContact CB-CG2 4.32Å; D201-V204 VanDerWaalsContact O-CB 3.31Å; D201-V204 WeakPolarHBondContact O-CB 3.36Å; D201-V204 WeakPolarHBondContact O-CG2 3.3Å; D201-V204 PolarHBondContact O-N 3.04Å
202H98.3Very high97.9Very high21 Ų2148.3 Ų48.310%0.09725%0.247CC..THydrogen-bonded Turntrans-60.2-30.3-169.2-167.378.9000113.6S189 F199 T200 V204 Y205 W206S189-H202 PolarHBondContact O-CE1 3.5Å; F199-H202 HydrophobicContact CB-CB 3.98Å; F199-H202 HydrophobicContact CD1-CB 4.1Å; F199-H202 AromaticContact CD1-CD2 3.8Å; F199-H202 AromaticContact CD1-CG 3.73Å; F199-H202 VanDerWaalsContact O-CB 3.23Å; F199-H202 WeakPolarHBondContact O-CB 3.17Å; F199-H202 PolarHBondContact O-N 3.12Å; F199-H202 VanDerWaalsContact O-N 3.09Å; T200-H202 PolarHBondContact O-N 3.18Å; H202-V204 PolarHBondContact O-N 2.79Å; H202-Y205 PolarHBondContact O-N 3.36Å; H202-Y205 VanDerWaalsContact O-N 3.11Å; H202-W206 AromaticContact CD2-CD1 3.53Å; H202-W206 AromaticContact CD2-NE1 3.24Å; H202-W206 PolarHBondContact CD2-NE1 2.96Å; H202-W206 AromaticContact NE2-CD1 3.7Å; H202-W206 AromaticContact NE2-NE1 2.99Å; H202-W206 PolarHBondContact NE2-NE1 2.98Å
203W98.6Very high98Very high131 Ų13148.3 Ų48.350%0.49625%0.247SC..THydrogen-bonded Turntrans-58.2-27.517871.3-88.7000113A128 V132 D201 Y205 W206 V207A128-W203 HydrophobicContact CB-CH2 4.5Å; A128-W203 HydrophobicContact CB-CZ2 3.78Å; V132-W203 HydrophobicContact CG2-CE3 4.44Å; V132-W203 HydrophobicContact CG2-CH2 3.78Å; V132-W203 HydrophobicContact CG2-CZ3 3.6Å; D201-W203 PolarHBondContact O-N 3.28Å; W203-Y205 VanDerWaalsContact C-N 3.26Å; W203-Y205 PolarHBondContact O-N 3.25Å; W203-W206 PolarHBondContact O-N 2.87Å; W203-W206 VanDerWaalsContact O-N 3.1Å; W203-V207 HydrophobicContact CE3-CB 4.12Å; W203-V207 HydrophobicContact CE3-CG2 3.82Å; W203-V207 HydrophobicContact CZ3-CB 4.3Å; W203-V207 HydrophobicContact CZ3-CG2 4.31Å; W203-V207 PolarHBondContact O-N 2.96Å
204V98.7Very high98Very high0 Ų050.4 Ų50.40%026%0.26CS..Hα-helixtrans-58.4-42.2176.6173.40000110.6L123 A128 V132 E135 D201 H202 W206 G208 P209L123-V204 HydrophobicContact CD2-CG1 4.42Å; A128-V204 HydrophobicContact CB-CG2 3.99Å; V132-V204 HydrophobicContact CG2-CB 4.22Å; V132-V204 HydrophobicContact CG2-CG1 3.88Å; V132-V204 HydrophobicContact CG2-CG2 4.08Å; E135-V204 HydrophobicContact CG-CG1 4.29Å; D201-V204 HydrophobicContact CB-CG2 4.32Å; D201-V204 VanDerWaalsContact O-CB 3.31Å; D201-V204 WeakPolarHBondContact O-CB 3.36Å; D201-V204 WeakPolarHBondContact O-CG2 3.3Å; D201-V204 PolarHBondContact O-N 3.04Å; H202-V204 PolarHBondContact O-N 2.79Å; V204-W206 PolarHBondContact O-N 3.37Å; V204-G208 PolarHBondContact O-N 2.9Å; V204-P209 WeakPolarHBondContact O-CD 3.36Å
205Y98.6Very high98.1Very high1 Ų148.1 Ų48.10%0.00425%0.252CS..Hα-helixtrans-77.2-2.2-179.2-51.2-66.5000114N121 S122 E135 T180 P186 S189 H202 W203 P209N121-Y205 VanDerWaalsContact C-OH 3.28Å; N121-Y205 HydrophobicContact CB-CD1 3.9Å; N121-Y205 HydrophobicContact CB-CD2 4Å; N121-Y205 HydrophobicContact CB-CE1 3.47Å; N121-Y205 VanDerWaalsContact CB-CE1 3.47Å; N121-Y205 HydrophobicContact CB-CE2 3.6Å; N121-Y205 HydrophobicContact CB-CG 4.16Å; S122-Y205 VanDerWaalsContact CA-OH 3.26Å; S122-Y205 WeakPolarHBondContact CA-OH 3.09Å; S122-Y205 PolarHBondContact N-OH 3.23Å; E135-Y205 HydrophobicContact CG-CD1 4.22Å; E135-Y205 HydrophobicContact CG-CE1 4.45Å; E135-Y205 WeakPolarHBondContact OE1-CD1 3.24Å; E135-Y205 WeakPolarHBondContact OE1-CE1 3.28Å; T180-Y205 WeakPolarHBondContact O-CE1 3.33Å; T180-Y205 PolarHBondContact O-OH 3.05Å; T180-Y205 VanDerWaalsContact O-OH 3.13Å; P186-Y205 WeakPolarHBondContact CA-O 3.14Å; P186-Y205 WeakPolarHBondContact CG-O 3.48Å; S189-Y205 WeakPolarHBondContact OG-CB 3.38Å; H202-Y205 PolarHBondContact O-N 3.36Å; H202-Y205 VanDerWaalsContact O-N 3.11Å; W203-Y205 VanDerWaalsContact C-N 3.26Å; W203-Y205 PolarHBondContact O-N 3.25Å; Y205-P209 WeakPolarHBondContact O-CD 3.21Å; Y205-P209 WeakPolarHBondContact O-CG 3.39Å
206W98.8Very high98.1Very high64 Ų6445.3 Ų45.324%0.24224%0.238CC..Hα-helixtrans-103.4-54.2168.6-72.980.7000110.7M97 P186 F190 H202 W203 V204 M210M97-W206 HydrophobicContact CE-CH2 3.93Å; M97-W206 HydrophobicContact CE-CZ2 4.07Å; M97-W206 HydrophobicContact CG-CH2 4.49Å; M97-W206 HydrophobicContact SD-CH2 3.8Å; M97-W206 HydrophobicContact SD-CZ2 4.5Å; P186-W206 HydrophobicContact CB-CD2 3.63Å; P186-W206 HydrophobicContact CB-CE3 3.62Å; P186-W206 HydrophobicContact CB-CG 4.2Å; P186-W206 HydrophobicContact CB-CH2 4.03Å; P186-W206 HydrophobicContact CB-CZ2 4.04Å; P186-W206 HydrophobicContact CB-CZ3 3.83Å; P186-W206 HydrophobicContact CG-CE3 4.31Å; F190-W206 HydrophobicContact CB-CZ2 4.21Å; F190-W206 HydrophobicContact CD2-CZ2 4.46Å; H202-W206 AromaticContact CD2-CD1 3.53Å; H202-W206 AromaticContact CD2-NE1 3.24Å; H202-W206 PolarHBondContact CD2-NE1 2.96Å; H202-W206 AromaticContact NE2-CD1 3.7Å; H202-W206 AromaticContact NE2-NE1 2.99Å; H202-W206 PolarHBondContact NE2-NE1 2.98Å; W203-W206 PolarHBondContact O-N 2.87Å; W203-W206 VanDerWaalsContact O-N 3.1Å; V204-W206 PolarHBondContact O-N 3.37Å; W206-M210 HydrophobicContact CE3-CE 3.72Å; W206-M210 HydrophobicContact CZ3-CE 3.73Å; W206-M210 WeakPolarHBondContact O-CB 3.19Å; W206-M210 WeakPolarHBondContact O-CG 3.47Å; W206-M210 PolarHBondContact O-N 3.2Å
207V98.8Very high98.2Very high63 Ų6342.7 Ų42.738%0.38222%0.224SC..Hα-helixtrans-64.3-50.4-174.7173.80000111.3V132 W203 C211V132-V207 HydrophobicContact CG1-CG1 4.29Å; W203-V207 HydrophobicContact CE3-CB 4.12Å; W203-V207 HydrophobicContact CE3-CG2 3.82Å; W203-V207 HydrophobicContact CZ3-CB 4.3Å; W203-V207 HydrophobicContact CZ3-CG2 4.31Å; W203-V207 PolarHBondContact O-N 2.96Å; V207-C211 VanDerWaalsContact O-CB 3.25Å; V207-C211 WeakPolarHBondContact O-CB 3.19Å; V207-C211 PolarHBondContact O-N 3.17Å; V207-C211 PolarHBondContact O-SG 3.4Å
208G98.7Very high98.2Very high0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-55.7-59.9179.800000111.7L136 V204 M210 C211 G212L136-G208 VanDerWaalsContact CA-O 3.29Å; L136-G208 WeakPolarHBondContact CA-O 3.3Å; V204-G208 PolarHBondContact O-N 2.9Å; G208-M210 PolarHBondContact O-N 3.03Å; G208-C211 PolarHBondContact O-N 3.27Å; G208-G212 PolarHBondContact O-N 3.36Å
209P98.8Very high98.2Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-63.1-43.7-177-27.739.4000114.1A73 E135 T139 P186 V204 Y205 C211 G212 G213A73-P209 HydrophobicContact CB-CB 3.84Å; A73-P209 WeakPolarHBondContact CB-O 3.4Å; E135-P209 HydrophobicContact CB-CG 4.18Å; T139-P209 HydrophobicContact CG2-CB 3.94Å; T139-P209 VanDerWaalsContact CG2-O 3.31Å; T139-P209 WeakPolarHBondContact CG2-O 3.45Å; T139-P209 WeakPolarHBondContact OG1-CA 3.49Å; T139-P209 WeakPolarHBondContact OG1-CB 2.99Å; P186-P209 HydrophobicContact CG-CB 4.12Å; V204-P209 WeakPolarHBondContact O-CD 3.36Å; Y205-P209 WeakPolarHBondContact O-CD 3.21Å; Y205-P209 WeakPolarHBondContact O-CG 3.39Å; P209-C211 PolarHBondContact O-N 3.21Å; P209-G212 PolarHBondContact O-N 2.85Å; P209-G213 PolarHBondContact O-N 2.98Å
210M98.6Very high98.2Very high34 Ų3436.7 Ų36.717%0.16719%0.194CC..Hα-helixtrans-63-43-179.7-66.2-66.2-157.600111.5P72 A73 L76 P186 W206 G208 G213 V214P72-M210 HydrophobicContact CB-CE 3.61Å; P72-M210 HydrophobicContact CB-SD 4.4Å; A73-M210 HydrophobicContact CB-SD 4.37Å; L76-M210 HydrophobicContact CB-SD 4.09Å; L76-M210 HydrophobicContact CD2-CB 3.9Å; L76-M210 HydrophobicContact CD2-CG 4.24Å; L76-M210 HydrophobicContact CD2-SD 3.58Å; L76-M210 VanDerWaalsContact CD2-SD 3.58Å; L76-M210 HydrophobicContact CG-SD 4.49Å; P186-M210 HydrophobicContact CB-CE 4.43Å; P186-M210 HydrophobicContact CG-CE 4.01Å; P186-M210 HydrophobicContact CG-CG 4.27Å; P186-M210 HydrophobicContact CG-SD 4.25Å; W206-M210 HydrophobicContact CE3-CE 3.72Å; W206-M210 HydrophobicContact CZ3-CE 3.73Å; W206-M210 WeakPolarHBondContact O-CB 3.19Å; W206-M210 WeakPolarHBondContact O-CG 3.47Å; W206-M210 PolarHBondContact O-N 3.2Å; G208-M210 PolarHBondContact O-N 3.03Å; M210-G213 PolarHBondContact O-N 3.43Å; M210-V214 WeakPolarHBondContact O-CG2 3.05Å; M210-V214 PolarHBondContact O-N 3.16Å; M210-V214 VanDerWaalsContact O-N 3.1Å
211C98.7Very high97.9Very high62 Ų6232.2 Ų32.242%0.41917%0.166SC..Hα-helixtrans-64.1-42.6174.8-71.70000111.8L136 V207 G208 P209 G213 V214 A215L136-C211 HydrophobicContact CD1-CB 3.92Å; L136-C211 HydrophobicContact CG-CB 4.46Å; V207-C211 VanDerWaalsContact O-CB 3.25Å; V207-C211 WeakPolarHBondContact O-CB 3.19Å; V207-C211 PolarHBondContact O-N 3.17Å; V207-C211 PolarHBondContact O-SG 3.4Å; G208-C211 PolarHBondContact O-N 3.27Å; P209-C211 PolarHBondContact O-N 3.21Å; C211-G213 PolarHBondContact O-N 2.87Å; C211-V214 PolarHBondContact O-N 2.89Å; C211-A215 VanDerWaalsContact O-CB 3.24Å; C211-A215 WeakPolarHBondContact O-CB 3.46Å; C211-A215 PolarHBondContact O-N 3.09Å
212G98.7Very high97.6Very high0 Ų033.8 Ų33.80%017%0.17CC..Hα-helixtrans-60.4-43.817700000112.6L136 G208 P209 A215 A216L136-G212 WeakPolarHBondContact O-CA 3.46Å; G208-G212 PolarHBondContact O-N 3.36Å; P209-G212 PolarHBondContact O-N 2.85Å; G212-A215 PolarHBondContact O-N 2.9Å; G212-A216 WeakPolarHBondContact O-CB 3.45Å; G212-A216 PolarHBondContact O-N 3.22Å
213G98.6Very high97.4Very high0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-65.6-43.7178.300000113.7V143 P209 M210 C211 A216 A217V143-G213 WeakPolarHBondContact CG1-O 3.17Å; P209-G213 PolarHBondContact O-N 2.98Å; M210-G213 PolarHBondContact O-N 3.43Å; C211-G213 PolarHBondContact O-N 2.87Å; G213-A216 PolarHBondContact O-N 3.02Å; G213-A217 PolarHBondContact O-N 3.4Å
214V98.6Very high97.2Very high45 Ų4538.2 Ų38.227%0.27320%0.203SC..Hα-helixtrans-64.6-45.4174.6173.90000110.9L76 A80 M210 C211 A216 A217 L218L76-V214 HydrophobicContact CD2-CG2 3.67Å; L76-V214 HydrophobicContact CG-CG2 3.72Å; A80-V214 HydrophobicContact CB-CG1 4.48Å; M210-V214 WeakPolarHBondContact O-CG2 3.05Å; M210-V214 PolarHBondContact O-N 3.16Å; M210-V214 VanDerWaalsContact O-N 3.1Å; C211-V214 PolarHBondContact O-N 2.89Å; V214-A216 VanDerWaalsContact C-N 3.3Å; V214-A216 PolarHBondContact O-N 3.24Å; V214-A217 PolarHBondContact O-N 3.28Å; V214-L218 HydrophobicContact CG1-CD1 3.95Å; V214-L218 HydrophobicContact CG1-CG 4.26Å; V214-L218 WeakPolarHBondContact O-CG 3.33Å; V214-L218 PolarHBondContact O-N 2.89Å
215A98.6Very high96.9Very high30 Ų3040 Ų4025%0.24822%0.215CC..Hα-helixtrans-59.9-40.7178.900000112F140 C211 G212 L218 I219F140-A215 HydrophobicContact CD2-CB 4.08Å; F140-A215 HydrophobicContact CE2-CB 4.46Å; C211-A215 VanDerWaalsContact O-CB 3.24Å; C211-A215 WeakPolarHBondContact O-CB 3.46Å; C211-A215 PolarHBondContact O-N 3.09Å; G212-A215 PolarHBondContact O-N 2.9Å; A215-L218 PolarHBondContact O-N 2.94Å; A215-I219 WeakPolarHBondContact O-CB 3.38Å; A215-I219 WeakPolarHBondContact O-CG1 3.31Å; A215-I219 PolarHBondContact O-N 3.26Å
216A98.4Very high96.4Very high0 Ų042.1 Ų42.10%023%0.229CC..Hα-helixtrans-60.4-46175.800000112.3F140 V143 L144 G212 G213 V214 Y220F140-A216 HydrophobicContact CD2-CB 3.7Å; F140-A216 VanDerWaalsContact CE2-CA 3.41Å; F140-A216 HydrophobicContact CE2-CB 3.98Å; F140-A216 HydrophobicContact CG-CB 4.38Å; F140-A216 WeakPolarHBondContact O-CB 3.47Å; V143-A216 HydrophobicContact CB-CB 3.76Å; V143-A216 HydrophobicContact CG1-CB 3.83Å; L144-A216 HydrophobicContact CB-CB 4.14Å; G212-A216 WeakPolarHBondContact O-CB 3.45Å; G212-A216 PolarHBondContact O-N 3.22Å; G213-A216 PolarHBondContact O-N 3.02Å; V214-A216 VanDerWaalsContact C-N 3.3Å; V214-A216 PolarHBondContact O-N 3.24Å; A216-Y220 WeakPolarHBondContact O-CB 3.35Å; A216-Y220 PolarHBondContact O-N 3.15Å
217A96.8Very high95.4Very high1 Ų140.8 Ų40.81%0.00823%0.225CC..Hα-helixtrans-61.3-47176.900000112.2G77 A80 I147 G213 V214 Y220 D221G77-A217 VanDerWaalsContact O-CB 3.28Å; G77-A217 WeakPolarHBondContact O-CB 3.29Å; A80-A217 HydrophobicContact CB-CB 3.88Å; I147-A217 VanDerWaalsContact CD1-CA 3.41Å; I147-A217 HydrophobicContact CD1-CB 3.64Å; G213-A217 PolarHBondContact O-N 3.4Å; V214-A217 PolarHBondContact O-N 3.28Å; A217-Y220 PolarHBondContact O-N 3.12Å; A217-D221 VanDerWaalsContact O-CB 3.3Å; A217-D221 WeakPolarHBondContact O-CB 3.27Å; A217-D221 PolarHBondContact O-N 3.37Å
218L95.9Very high93.9Very high81 Ų8147 Ų4742%0.42425%0.248SC..Hα-helixtrans-64.7-45.2-179.7-65.8178.5000112.1V214 A215 Y220 F222V214-L218 HydrophobicContact CG1-CD1 3.95Å; V214-L218 HydrophobicContact CG1-CG 4.26Å; V214-L218 WeakPolarHBondContact O-CG 3.33Å; V214-L218 PolarHBondContact O-N 2.89Å; A215-L218 PolarHBondContact O-N 2.94Å; L218-Y220 PolarHBondContact O-N 3.03Å; L218-F222 HydrophobicContact CD2-CD2 4.03Å; L218-F222 HydrophobicContact CD2-CE2 3.73Å; L218-F222 WeakPolarHBondContact O-CB 3.49Å; L218-F222 WeakPolarHBondContact O-CD2 3.19Å; L218-F222 PolarHBondContact O-N 3.43Å
219I97.7Very high92.4Very high58 Ų5852.2 Ų52.230%0.29728%0.275SS..Hα-helixtrans-64.6-43.4179.5-73.3171.1000110.5F140 A215 L223 L224F140-I219 HydrophobicContact CE2-CB 4.31Å; F140-I219 HydrophobicContact CE2-CD1 3.59Å; F140-I219 HydrophobicContact CE2-CG1 4.43Å; F140-I219 HydrophobicContact CZ-CD1 3.92Å; F140-I219 HydrophobicContact CZ-CG2 4.4Å; A215-I219 WeakPolarHBondContact O-CB 3.38Å; A215-I219 WeakPolarHBondContact O-CG1 3.31Å; A215-I219 PolarHBondContact O-N 3.26Å; I219-L223 HydrophobicContact CG1-CD1 4.25Å; I219-L223 WeakPolarHBondContact O-CA 3.39Å; I219-L223 WeakPolarHBondContact O-CB 3.49Å; I219-L223 PolarHBondContact O-N 3.09Å; I219-L223 VanDerWaalsContact O-N 3.08Å; I219-L224 HydrophobicContact CG2-CD1 3.71Å; I219-L224 HydrophobicContact CG2-CG 3.86Å; I219-L224 PolarHBondContact O-N 2.99Å
220Y96.3Very high91.2Very high18 Ų1857.3 Ų57.37%0.07130%0.302CS..Iπ-helixtrans-65.7-51.6178.7-167.7-91.7000112.1L144 I147 A148 D151 A216 A217 L218 F222 S225L144-Y220 HydrophobicContact CD1-CD2 3.7Å; L144-Y220 HydrophobicContact CD1-CG 4.29Å; I147-Y220 HydrophobicContact CG2-CD1 3.32Å; I147-Y220 HydrophobicContact CG2-CD2 4.5Å; I147-Y220 HydrophobicContact CG2-CE1 3.75Å; I147-Y220 HydrophobicContact CG2-CG 3.74Å; A148-Y220 HydrophobicContact CB-CD2 4.33Å; A148-Y220 HydrophobicContact CB-CE2 3.59Å; D151-Y220 HydrophobicContact CB-CE1 4.37Å; D151-Y220 WeakPolarHBondContact OD2-CE1 3.3Å; D151-Y220 PolarHBondContact OD2-OH 3.09Å; A216-Y220 WeakPolarHBondContact O-CB 3.35Å; A216-Y220 PolarHBondContact O-N 3.15Å; A217-Y220 PolarHBondContact O-N 3.12Å; L218-Y220 PolarHBondContact O-N 3.03Å; Y220-F222 PolarHBondContact O-N 3.41Å; Y220-S225 CarbonylContact O-C 3.6Å; Y220-S225 WeakPolarHBondContact O-CA 3.33Å; Y220-S225 PolarHBondContact O-N 3.43Å
221D92.8Very high90.3Very high2 Ų260.9 Ų60.91%0.01132%0.317CS..Iπ-helixtrans-78.9-16.7-170.6-80.9-11.2000114.9S81 A217 P226 K227 R234S81-D221 WeakPolarHBondContact CA-OD2 3.17Å; S81-D221 VanDerWaalsContact CB-OD2 3.28Å; S81-D221 WeakPolarHBondContact CB-OD2 3.4Å; S81-D221 PolarHBondContact OG-OD1 3.14Å; S81-D221 PolarHBondContact OG-OD2 2.95Å; A217-D221 VanDerWaalsContact O-CB 3.3Å; A217-D221 WeakPolarHBondContact O-CB 3.27Å; A217-D221 PolarHBondContact O-N 3.37Å; D221-P226 VanDerWaalsContact O-CA 3.31Å; D221-P226 WeakPolarHBondContact O-CA 3.29Å; D221-K227 PolarHBondContact O-N 3.4Å; D221-K227 VanDerWaalsContact OD1-CE 3.31Å; D221-K227 WeakPolarHBondContact OD1-CE 3.29Å; D221-K227 IonicContact OD1-NZ 3.27Å; D221-K227 PolarHBondContact OD1-NZ 2.7Å; D221-K227 IonicContact OD2-NZ 2.81Å; D221-K227 PolarHBondContact OD2-NZ 2.85Å; D221-R234 IonicContact OD2-CZ 3.01Å; D221-R234 IonicContact OD2-NH2 3.95Å; D221-R234 PolarHBondContact OD2-NH2 3.14Å
222F91.7Very high89.5Confident99 Ų9961.2 Ų61.243%0.43432%0.319SS..Iπ-helixtrans-120.4-22.7-177.4-64-85.3000114.4L218 Y220 F231L218-F222 HydrophobicContact CD2-CD2 4.03Å; L218-F222 HydrophobicContact CD2-CE2 3.73Å; L218-F222 WeakPolarHBondContact O-CB 3.49Å; L218-F222 WeakPolarHBondContact O-CD2 3.19Å; L218-F222 PolarHBondContact O-N 3.43Å; Y220-F222 PolarHBondContact O-N 3.41Å; F222-F231 HydrophobicContact CE1-CE2 4.34Å; F222-F231 HydrophobicContact CZ-CE2 4Å
223L94.1Very high88.7Confident130 Ų13066.2 Ų66.268%0.68134%0.342SS*.Iπ-helixtrans-113.8-50.5-177.5-56.2178.9000112.5I219I219-L223 HydrophobicContact CG1-CD1 4.25Å; I219-L223 WeakPolarHBondContact O-CA 3.39Å; I219-L223 WeakPolarHBondContact O-CB 3.49Å; I219-L223 PolarHBondContact O-N 3.09Å; I219-L223 VanDerWaalsContact O-N 3.08Å
224L94.6Very high88Confident114 Ų11467.2 Ų67.260%0.59735%0.346SS*.Iπ-helixtrans-88.5-44.3-170-59.7-179.8000113.6L144 I219L144-L224 HydrophobicContact CD1-CD1 4.4Å; I219-L224 HydrophobicContact CG2-CD1 3.71Å; I219-L224 HydrophobicContact CG2-CG 3.86Å; I219-L224 PolarHBondContact O-N 2.99Å
225S92Very high87.4Confident37 Ų3767.7 Ų67.726%0.25935%0.349SS..SBendtrans-137.369178.5-165.40000111R153 Y220 K227R153-S225 PolarHBondContact NH1-O 2.96Å; R153-S225 PolarHBondContact NH2-O 3.23Å; R153-S225 PolarHBondContact NH2-OG 3.12Å; Y220-S225 CarbonylContact O-C 3.6Å; Y220-S225 WeakPolarHBondContact O-CA 3.33Å; Y220-S225 PolarHBondContact O-N 3.43Å; S225-K227 PolarHBondContact O-N 2.92Å
226P88.3Confident86.9Confident46 Ų4671.4 Ų71.430%0.29936%0.359SS..  trans-54.1134.9-176.5-2534.8000112.7R153 D221 F228R153-P226 PolarHBondContact NH1-O 3.37Å; D221-P226 VanDerWaalsContact O-CA 3.31Å; D221-P226 WeakPolarHBondContact O-CA 3.29Å; P226-F228 HydrophobicContact CB-CZ 4.35Å
227K76Confident86.4Confident36 Ų3672.6 Ų72.616%0.15737%0.366CS..  trans-87.6114.6169.6-69.5168.5-179.5151.90107.7S81 D221 S225 D229S81-K227 PolarHBondContact OG-NZ 3.11Å; S81-K227 VanDerWaalsContact OG-NZ 3.11Å; D221-K227 PolarHBondContact O-N 3.4Å; D221-K227 VanDerWaalsContact OD1-CE 3.31Å; D221-K227 WeakPolarHBondContact OD1-CE 3.29Å; D221-K227 IonicContact OD1-NZ 3.27Å; D221-K227 PolarHBondContact OD1-NZ 2.7Å; D221-K227 IonicContact OD2-NZ 2.81Å; D221-K227 PolarHBondContact OD2-NZ 2.85Å; S225-K227 PolarHBondContact O-N 2.92Å; K227-D229 PolarHBondContact O-N 3.35Å
228F68.3Low86Confident195 Ų19574.6 Ų74.686%0.85538%0.377SS*.  trans-83.32.3177.6-62.3-73.4000113.2P226P226-F228 HydrophobicContact CB-CZ 4.35Å
229D66.4Low85.5Confident108 Ų10875.4 Ų75.458%0.57839%0.385SS*.SBendtrans-59.2146169.2-58-38.9000109.8K227 F231 R234K227-D229 PolarHBondContact O-N 3.35Å; D229-F231 PolarHBondContact O-N 3.42Å; D229-R234 HydrophobicContact CB-CG 4.36Å
230D74.2Confident84.7Confident107 Ų10775.8 Ų75.857%0.57239%0.393SS*.  trans-57.6118-179.3-163.520.9000109.7P232 E233 R234D230-P232 VanDerWaalsContact C-N 3.29Å; D230-P232 VanDerWaalsContact CG-CD 3.46Å; D230-P232 WeakPolarHBondContact OD1-CD 3.44Å; D230-E233 HydrophobicContact CB-CG 4.25Å; D230-E233 WeakPolarHBondContact O-CB 3.46Å; D230-E233 PolarHBondContact O-N 2.85Å; D230-R234 PolarHBondContact O-N 3.14Å
231F80.1Confident83.9Confident109 Ų10975 Ų7548%0.47839%0.39SS..Hα-helixtrans-52.6-39.5-175.4-177.5-102000113.4F222 D229 E233 R234 V235F222-F231 HydrophobicContact CE1-CE2 4.34Å; F222-F231 HydrophobicContact CZ-CE2 4Å; D229-F231 PolarHBondContact O-N 3.42Å; F231-E233 VanDerWaalsContact C-N 3.29Å; F231-E233 PolarHBondContact O-N 3.41Å; F231-R234 WeakPolarHBondContact O-CB 3.24Å; F231-R234 PolarHBondContact O-N 2.89Å; F231-V235 HydrophobicContact CD1-CG2 4.02Å; F231-V235 HydrophobicContact CE1-CG2 3.62Å; F231-V235 HydrophobicContact CE2-CG2 4.28Å; F231-V235 HydrophobicContact CZ-CG2 3.77Å; F231-V235 WeakPolarHBondContact O-CG2 3.5Å; F231-V235 PolarHBondContact O-N 3.29Å
232P82.5Confident83Confident70 Ų7076.3 Ų76.346%0.45540%0.399SS..Hα-helixtrans-54.1-38.8171.4-26.336.4000114.3D230 V235 K236D230-P232 VanDerWaalsContact C-N 3.29Å; D230-P232 VanDerWaalsContact CG-CD 3.46Å; D230-P232 WeakPolarHBondContact OD1-CD 3.44Å; P232-V235 PolarHBondContact O-N 2.84Å; P232-K236 WeakPolarHBondContact O-CG 3.47Å; P232-K236 PolarHBondContact O-N 2.92Å
233E81.8Confident81.6Confident104 Ų10478.3 Ų78.349%0.48642%0.419SS..Hα-helixtrans-68.9-39.4178.3-65.4-57141.800111.6D230 F231 V235 K236D230-E233 HydrophobicContact CB-CG 4.25Å; D230-E233 WeakPolarHBondContact O-CB 3.46Å; D230-E233 PolarHBondContact O-N 2.85Å; F231-E233 VanDerWaalsContact C-N 3.29Å; F231-E233 PolarHBondContact O-N 3.41Å; E233-V235 VanDerWaalsContact C-N 3.32Å; E233-V235 PolarHBondContact O-N 3.38Å; E233-K236 WeakPolarHBondContact O-CB 3.38Å; E233-K236 PolarHBondContact O-N 3.46Å; E233-K236 WeakPolarHBondContact OE1-CE 2.98Å; E233-K236 IonicContact OE1-NZ 2.78Å; E233-K236 PolarHBondContact OE1-NZ 3.09Å; E233-K236 WeakPolarHBondContact OE2-CD 3.31Å; E233-K236 WeakPolarHBondContact OE2-CE 3.32Å; E233-K236 IonicContact OE2-NZ 3.92Å; E233-K236 PolarHBondContact OE2-NZ 3.28Å
234R83.6Confident80Confident21 Ų2174.7 Ų74.78%0.07941%0.412CS..Hα-helixtrans-60.8-43.6174.6-64.4-179.758.9-162.7-3.3111.3S81 C82 D221 D229 D230 F231 K236 V237S81-R234 PolarHBondContact O-NH2 3.34Å; C82-R234 HydrophobicContact CB-CB 4.14Å; C82-R234 WeakPolarHBondContact CB-O 3.27Å; D221-R234 IonicContact OD2-CZ 3.01Å; D221-R234 IonicContact OD2-NH2 3.95Å; D221-R234 PolarHBondContact OD2-NH2 3.14Å; D229-R234 HydrophobicContact CB-CG 4.36Å; D230-R234 PolarHBondContact O-N 3.14Å; F231-R234 WeakPolarHBondContact O-CB 3.24Å; F231-R234 PolarHBondContact O-N 2.89Å; R234-K236 PolarHBondContact O-N 2.95Å; R234-V237 VanDerWaalsContact O-CB 3.29Å; R234-V237 WeakPolarHBondContact O-CB 3.43Å; R234-V237 WeakPolarHBondContact O-CG2 3.24Å; R234-V237 PolarHBondContact O-N 2.67Å; R234-V237 VanDerWaalsContact O-N 3.13Å
235V86.3Confident78.2Confident55 Ų5572.3 Ų72.333%0.33340%0.401SS..Hα-helixtrans-64.1-28.1-179172.40000112.1F231 P232 E233 V237 L238F231-V235 HydrophobicContact CD1-CG2 4.02Å; F231-V235 HydrophobicContact CE1-CG2 3.62Å; F231-V235 HydrophobicContact CE2-CG2 4.28Å; F231-V235 HydrophobicContact CZ-CG2 3.77Å; F231-V235 WeakPolarHBondContact O-CG2 3.5Å; F231-V235 PolarHBondContact O-N 3.29Å; P232-V235 PolarHBondContact O-N 2.84Å; E233-V235 VanDerWaalsContact C-N 3.32Å; E233-V235 PolarHBondContact O-N 3.38Å; V235-V237 PolarHBondContact O-N 3.21Å; V235-L238 HydrophobicContact CG1-CD1 4.29Å; V235-L238 VanDerWaalsContact O-CB 3.29Å; V235-L238 WeakPolarHBondContact O-CB 3.35Å; V235-L238 WeakPolarHBondContact O-CG 3.48Å; V235-L238 PolarHBondContact O-N 2.93Å; V235-L238 VanDerWaalsContact O-N 3.08Å
236K87.6Confident76.4Confident108 Ų10872.2 Ų72.247%0.4740%0.395SS..Hα-helixtrans-59.2-32.5175.4-68.4176.9-167.8169.90112.5P232 E233 R234 L238 V239 S240P232-K236 WeakPolarHBondContact O-CG 3.47Å; P232-K236 PolarHBondContact O-N 2.92Å; E233-K236 WeakPolarHBondContact O-CB 3.38Å; E233-K236 PolarHBondContact O-N 3.46Å; E233-K236 WeakPolarHBondContact OE1-CE 2.98Å; E233-K236 IonicContact OE1-NZ 2.78Å; E233-K236 PolarHBondContact OE1-NZ 3.09Å; E233-K236 WeakPolarHBondContact OE2-CD 3.31Å; E233-K236 WeakPolarHBondContact OE2-CE 3.32Å; E233-K236 IonicContact OE2-NZ 3.92Å; E233-K236 PolarHBondContact OE2-NZ 3.28Å; R234-K236 PolarHBondContact O-N 2.95Å; K236-L238 PolarHBondContact O-N 2.87Å; K236-L238 VanDerWaalsContact O-N 3.16Å; K236-V239 PolarHBondContact O-N 3.45Å; K236-S240 PolarHBondContact O-N 3.5Å; K236-S240 PolarHBondContact O-OG 3.14Å
237V87.3Confident74.4Confident25 Ų2575.1 Ų75.115%0.15241%0.408CS..Hα-helixtrans-55.4-34.3176.9178.40000111.7C82 S85 R234 V235 V239 G241 P242C82-V237 WeakPolarHBondContact O-CB 3.2Å; C82-V237 VanDerWaalsContact O-CG1 3.3Å; C82-V237 WeakPolarHBondContact O-CG1 3.21Å; S85-V237 WeakPolarHBondContact CA-O 3.38Å; R234-V237 VanDerWaalsContact O-CB 3.29Å; R234-V237 WeakPolarHBondContact O-CB 3.43Å; R234-V237 WeakPolarHBondContact O-CG2 3.24Å; R234-V237 PolarHBondContact O-N 2.67Å; R234-V237 VanDerWaalsContact O-N 3.13Å; V235-V237 PolarHBondContact O-N 3.21Å; V237-V239 PolarHBondContact O-N 3.48Å; V237-V239 VanDerWaalsContact O-N 3.13Å; V237-G241 VanDerWaalsContact O-CA 3.27Å; V237-G241 WeakPolarHBondContact O-CA 3.45Å; V237-G241 PolarHBondContact O-N 3.4Å; V237-P242 HydrophobicContact CG1-CG 4.06Å
238L88.3Confident73.1Confident43 Ų4378.2 Ų78.223%0.22543%0.429CS..Hα-helixtrans-60.4-26.8179.7-58.7-178.9000112.6L79 C82 S85 V86 V235 K236L79-L238 HydrophobicContact CD1-CD2 3.65Å; L79-L238 HydrophobicContact CG-CD2 4.3Å; L79-L238 WeakPolarHBondContact O-CD2 3.49Å; C82-L238 HydrophobicContact CB-CD2 4.39Å; S85-L238 WeakPolarHBondContact CA-O 3.46Å; V86-L238 HydrophobicContact CG2-CB 4.25Å; V86-L238 PolarHBondContact N-O 3.25Å; V235-L238 HydrophobicContact CG1-CD1 4.29Å; V235-L238 VanDerWaalsContact O-CB 3.29Å; V235-L238 WeakPolarHBondContact O-CB 3.35Å; V235-L238 WeakPolarHBondContact O-CG 3.48Å; V235-L238 PolarHBondContact O-N 2.93Å; V235-L238 VanDerWaalsContact O-N 3.08Å; K236-L238 PolarHBondContact O-N 2.87Å; K236-L238 VanDerWaalsContact O-N 3.16Å
239V86.7Confident71.7Confident98 Ų9877.3 Ų77.359%0.59443%0.433SS*.Hα-helixtrans-103.4-44.4-177.6-177.30000112.1T1 K236 V237T1-V239 PolarHBondContact N-O 2.67Å; K236-V239 PolarHBondContact O-N 3.45Å; V237-V239 PolarHBondContact O-N 3.48Å; V237-V239 VanDerWaalsContact O-N 3.13Å
240S80.3Confident70.4Confident66 Ų6675.9 Ų75.946%0.46244%0.444SS..Hα-helixtrans-94-16.9-173.258.10000114.4K236K236-S240 PolarHBondContact O-N 3.5Å; K236-S240 PolarHBondContact O-OG 3.14Å
241G79.5Confident68.3Low1 Ų174.3 Ų74.31%0.0145%0.453CS..  trans77.6172.6-163.500000112.1V237V237-G241 VanDerWaalsContact O-CA 3.27Å; V237-G241 WeakPolarHBondContact O-CA 3.45Å; V237-G241 PolarHBondContact O-N 3.4Å
242P74.4Confident66.2Low30 Ų3077.1 Ų77.120%0.19547%0.473CS..  trans-65.4141179.1-20.634.6000111.6Q83 V237 G244 D245Q83-P242 WeakPolarHBondContact O-CG 3.43Å; V237-P242 HydrophobicContact CG1-CG 4.06Å; P242-G244 PolarHBondContact O-N 2.91Å; P242-D245 PolarHBondContact O-N 3.13Å
243V61.6Low64.1Low142 Ų14281.5 Ų81.586%0.86149%0.493SS*.THydrogen-bonded Turntrans-66.9119.3175.4-176.50000108.7
244G59.7Low61.9Low53 Ų5381.1 Ų81.155%0.54651%0.508SS..THydrogen-bonded Turntrans111.2-14.517900000116.1P242 Y246P242-G244 PolarHBondContact O-N 2.91Å; G244-Y246 VanDerWaalsContact C-N 3.31Å; G244-Y246 PolarHBondContact O-N 3.43Å
245D57.1Low59.4Low65 Ų6586.2 Ų86.235%0.34854%0.541SS..SBendtrans-76.3-15.4-178.3-92.617.6000113.7K88 P242K88-D245 IonicContact NZ-OD2 2.59Å; K88-D245 PolarHBondContact NZ-OD2 2.89Å; P242-D245 PolarHBondContact O-N 3.13Å
246Y54.1Low56.9Low35 Ų3590.1 Ų90.114%0.13757%0.565CS.*SBendtrans-141.33-167.8-54.4-61.9000115.6E4 S7 F10 K88 G244 V248E4-Y246 HydrophobicContact CG-CD2 3.84Å; E4-Y246 HydrophobicContact CG-CE2 3.64Å; S7-Y246 WeakPolarHBondContact OG-CD1 3.35Å; F10-Y246 HydrophobicContact CB-CD1 4.33Å; F10-Y246 HydrophobicContact CB-CE1 3.66Å; F10-Y246 HydrophobicContact CD2-CE1 4.18Å; F10-Y246 AromaticContact CD2-CZ 4Å; F10-Y246 HydrophobicContact CG-CE1 4.44Å; K88-Y246 WeakPolarHBondContact CD-OH 3.28Å; K88-Y246 WeakPolarHBondContact CE-OH 3.15Å; K88-Y246 PolarHBondContact NZ-OH 3.02Å; G244-Y246 VanDerWaalsContact C-N 3.31Å; G244-Y246 PolarHBondContact O-N 3.43Å; Y246-V248 PolarHBondContact O-N 3.39Å
247D47.6Very low54.4Low106 Ų10691.1 Ų91.157%0.56758%0.58SS**  trans-97.773.5-179.1-71.8-35.6000110.6R3R3-D247 IonicContact NH1-OD1 3.72Å
248V47.1Very low51.9Low101 Ų10197.9 Ų97.961%0.61261%0.61SS**  trans-121.13.4173.4-166.80000112.6Y246Y246-V248 PolarHBondContact O-N 3.39Å
249N38.9Very low49.2Very low176 Ų176105.1 Ų105.194%0.94165%0.645SS**SBendtrans-116.147.1177-80.5-23.2000113.3
250G39.5Very low46.6Very low78 Ų78106.9 Ų106.980%0.80466%0.656SS**SBendtrans-147.883.3175.700000113.2
251G29.8Very low44.6Very low74 Ų74109.3 Ų109.376%0.76367%0.673SS**  trans113.4106163.200000114.7D253G251-D253 PolarHBondContact O-N 3.08Å
252N37.3Very low42.4Very low169 Ų169122.4 Ų122.490%0.90473%0.73SS**  trans-56.1103.9151.6-84.4-14.9000107.8
253D38.7Very low40.9Very low161 Ų161127 Ų12786%0.86176%0.757SS**  trans-168.768.8152.8-95.3-18.5000108.5G251G251-D253 PolarHBondContact O-N 3.08Å
254A33.8Very low39.8Very low97 Ų97126.2 Ų126.280%0.80275%0.751SS**  trans-97.693.9157.100000106.7T256A254-T256 PolarHBondContact O-N 3.21Å
255T32.4Very low38.7Very low127 Ų127130.3 Ų130.378%0.77976%0.763SS**  trans-53.6110.6160120000107.8V257T255-V257 PolarHBondContact O-N 3.23Å
256T33.5Very low37.6Very low137 Ų137134.1 Ų134.184%0.8479%0.787SS**  trans-55.6105.1170.1-15.40000108.2A254A254-T256 PolarHBondContact O-N 3.21Å
257V34.4Very low36.5Very low129 Ų129140.3 Ų140.378%0.78283%0.828SS**  trans-94.7105.3164.1-179.70000106.6T255 M259T255-V257 PolarHBondContact O-N 3.23Å; V257-M259 PolarHBondContact O-N 3.25Å
258E34.8Very low35.8Very low167 Ų167142.6 Ų142.678%0.7885%0.845SS**  trans-54.6125.4173-71.9179.1141.300110.5T260E258-T260 PolarHBondContact O-N 2.81Å
259M32.3Very low35Very low195 Ų195145.6 Ų145.696%0.96186%0.862SS**  trans-73.5109.4163.8-70.4-169.7-154.700108.5V257V257-M259 PolarHBondContact O-N 3.25Å
260T32.8Very low34.7Very low135 Ų135143.2 Ų143.283%0.82886%0.856SS**  trans-82.8119161.922.10000108.7E258E258-T260 PolarHBondContact O-N 2.81Å
261S37.2Very low34.3Very low117 Ų117148.7 Ų148.782%0.81886%0.86SS**  trans-65.7134.1173.5-177.50000111
262K34.4Very low34.7Very low276 Ų276155.5 Ų155.5100%1.287%0.869SS**  trans-139.70146.5-80.4-165.7178.7-179.20109.1

Retrieved 262 of 262 residues in 371 ms (Link to these results)

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