A0A5K4FCB9_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 702 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
1M28.7Very low55.3Low207 Ų207125.6 Ų125.6100%1.0261%0.61SS**  091.30-73.4-151.2-151.400107.7H281M1-H281 HydrophobicContact CE-CB 4.44Å
2E29Very low57.4Low187 Ų187118.3 Ų118.387%0.87458%0.578SS**  trans-71.2135.5148.5-79.8170.8153.900106.2R4E2-R4 PolarHBondContact O-N 3.43Å
3N33.1Very low59.2Low153 Ų153119.5 Ų119.582%0.81859%0.587SS**  trans-48.5130.9-179.1-80.4-36.5000110.1R5N3-R5 PolarHBondContact O-N 3.05Å
4R34.7Very low60.8Low252 Ų252115.4 Ų115.495%0.95157%0.566SS**  trans-64.472.5170-73.8-178.5175.4-178-2.8109.8E2E2-R4 PolarHBondContact O-N 3.43Å
5R43.4Very low62.3Low152 Ų152107.7 Ų107.757%0.57453%0.529SS*.  trans-64126.1149.7-82.5-172.9-176.5174.41.7105.3N3 L7 S9 E14N3-R5 PolarHBondContact O-N 3.05Å; R5-L7 PolarHBondContact O-N 3.5Å; R5-S9 WeakPolarHBondContact CA-OG 3.27Å; R5-S9 VanDerWaalsContact CB-OG 3.25Å; R5-S9 WeakPolarHBondContact CB-OG 3.31Å; R5-E14 IonicContact NH1-OE1 2.71Å; R5-E14 PolarHBondContact NH1-OE1 3.19Å; R5-E14 VanDerWaalsContact NH1-OE1 3.13Å; R5-E14 IonicContact NH1-OE2 2.74Å
6S65Low63.8Low66 Ų66105.3 Ų105.346%0.46252%0.515SS..  trans-54.4143.7168.352.90000107.7E8 S9S6-E8 PolarHBondContact O-N 3.11Å; S6-S9 PolarHBondContact N-OG 2.95Å; S6-S9 WeakPolarHBondContact O-CB 3.46Å; S6-S9 PolarHBondContact O-N 3.4Å; S6-S9 PolarHBondContact O-OG 3.05Å; S6-S9 PolarHBondContact OG-OG 2.71Å
7L68.2Low65.1Low60 Ų60105.5 Ų105.531%0.31452%0.515SS..G310 helixtrans-51.2-33.7177.5-85146.2000111.6R5 S9 L10 L15 I47 I50R5-L7 PolarHBondContact O-N 3.5Å; L7-S9 VanDerWaalsContact C-N 3.29Å; L7-S9 PolarHBondContact O-N 3.28Å; L7-L10 HydrophobicContact CD2-CD1 4.29Å; L7-L10 PolarHBondContact O-N 3.36Å; L7-L15 HydrophobicContact CD2-CD2 4.08Å; L7-I47 HydrophobicContact CD2-CD1 4.36Å; L7-I47 HydrophobicContact CD2-CG1 3.6Å; L7-I50 HydrophobicContact CB-CD1 3.66Å
8E70.4Confident66.2Low142 Ų142102.4 Ų102.466%0.66450%0.501SS*.G310 helixtrans-62.7-27.8174.9-64.3168.1-175.900114.2S6 I50 K54S6-E8 PolarHBondContact O-N 3.11Å; E8-I50 HydrophobicContact CG-CD1 4.46Å; E8-K54 WeakPolarHBondContact O-CE 3.31Å; E8-K54 PolarHBondContact O-NZ 2.97Å
9S75.2Confident67.3Low62 Ų6298.4 Ų98.443%0.43448%0.482SS..G310 helixtrans-84.8-8.9-179.367.90000114.5R5 S6 L7R5-S9 WeakPolarHBondContact CA-OG 3.27Å; R5-S9 VanDerWaalsContact CB-OG 3.25Å; R5-S9 WeakPolarHBondContact CB-OG 3.31Å; S6-S9 PolarHBondContact N-OG 2.95Å; S6-S9 WeakPolarHBondContact O-CB 3.46Å; S6-S9 PolarHBondContact O-N 3.4Å; S6-S9 PolarHBondContact O-OG 3.05Å; S6-S9 PolarHBondContact OG-OG 2.71Å; L7-S9 VanDerWaalsContact C-N 3.29Å; L7-S9 PolarHBondContact O-N 3.28Å
10L78.4Confident68.1Low23 Ų2397.2 Ų97.212%0.1248%0.484CS..SBendtrans-75.5144.7177.7-69.4161.8000111.1L7 E14 L15 L18 K54L7-L10 HydrophobicContact CD2-CD1 4.29Å; L7-L10 PolarHBondContact O-N 3.36Å; L10-E14 HydrophobicContact CB-CB 4.18Å; L10-E14 HydrophobicContact CD2-CB 3.95Å; L10-E14 HydrophobicContact CD2-CG 4.47Å; L10-L15 HydrophobicContact CB-CD1 4.37Å; L10-L15 HydrophobicContact CB-CD2 4.12Å; L10-L15 HydrophobicContact CB-CG 3.78Å; L10-L15 HydrophobicContact CD1-CD2 4.02Å; L10-L15 HydrophobicContact CD1-CG 4.49Å; L10-L18 HydrophobicContact CD1-CD1 3.92Å; L10-K54 PolarHBondContact O-NZ 3.37Å
11T82.1Confident68.9Low78 Ų7898.3 Ų98.348%0.47949%0.486SS..  trans-67.7162.2172.2610000111.3L13 E14 L15T11-L13 VanDerWaalsContact C-N 3.29Å; T11-L13 PolarHBondContact O-N 3.2Å; T11-E14 PolarHBondContact N-OE2 3.3Å; T11-E14 PolarHBondContact O-N 2.86Å; T11-E14 WeakPolarHBondContact OG1-CB 3.36Å; T11-E14 WeakPolarHBondContact OG1-CG 3.4Å; T11-E14 PolarHBondContact OG1-N 3.14Å; T11-E14 PolarHBondContact OG1-OE2 2.93Å; T11-L15 PolarHBondContact O-N 3.45Å
12V80.7Confident71.6Confident38 Ų3890.3 Ų90.323%0.2345%0.446CS..Hα-helixtrans-56.7-43.4178.4175.60000111.3L15 E16 L51 K54 L58V12-L15 PolarHBondContact O-N 3.28Å; V12-E16 WeakPolarHBondContact O-CG 3.38Å; V12-E16 PolarHBondContact O-N 2.94Å; V12-L51 HydrophobicContact CG1-CD2 3.81Å; V12-K54 HydrophobicContact CG2-CB 4.29Å; V12-K54 HydrophobicContact CG2-CD 4.44Å; V12-L58 HydrophobicContact CG2-CD1 4.12Å
13L80.1Confident74.2Confident133 Ų13383.4 Ų83.470%0.69642%0.415SS*.Hα-helixtrans-63.6-44.2177.2-70.4172.8000112.6T11 L15 E16 E17T11-L13 VanDerWaalsContact C-N 3.29Å; T11-L13 PolarHBondContact O-N 3.2Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.25Å; L13-E16 PolarHBondContact O-N 3.15Å; L13-E17 PolarHBondContact O-N 3.39Å
14E82.3Confident76.6Confident63 Ų6381.7 Ų81.729%0.29440%0.402SS..Hα-helixtrans-63.5-37.8176.8-73.6168.8149.400111.5R5 L10 T11 L18R5-E14 IonicContact NH1-OE1 2.71Å; R5-E14 PolarHBondContact NH1-OE1 3.19Å; R5-E14 VanDerWaalsContact NH1-OE1 3.13Å; R5-E14 IonicContact NH1-OE2 2.74Å; L10-E14 HydrophobicContact CB-CB 4.18Å; L10-E14 HydrophobicContact CD2-CB 3.95Å; L10-E14 HydrophobicContact CD2-CG 4.47Å; T11-E14 PolarHBondContact N-OE2 3.3Å; T11-E14 PolarHBondContact O-N 2.86Å; T11-E14 WeakPolarHBondContact OG1-CB 3.36Å; T11-E14 WeakPolarHBondContact OG1-CG 3.4Å; T11-E14 PolarHBondContact OG1-N 3.14Å; T11-E14 PolarHBondContact OG1-OE2 2.93Å; E14-L18 VanDerWaalsContact O-CB 3.28Å; E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 PolarHBondContact O-N 3.05Å
15L83.8Confident78.7Confident0 Ų073.4 Ų73.40%038%0.376CS..Hα-helixtrans-67.3-40175.2-77.4163.5000112.1L7 L10 T11 V12 L13 L18 L19 I47 I50 L51 K54L7-L15 HydrophobicContact CD2-CD2 4.08Å; L10-L15 HydrophobicContact CB-CD1 4.37Å; L10-L15 HydrophobicContact CB-CD2 4.12Å; L10-L15 HydrophobicContact CB-CG 3.78Å; L10-L15 HydrophobicContact CD1-CD2 4.02Å; L10-L15 HydrophobicContact CD1-CG 4.49Å; T11-L15 PolarHBondContact O-N 3.45Å; V12-L15 PolarHBondContact O-N 3.28Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.25Å; L15-L18 PolarHBondContact O-N 2.8Å; L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.26Å; L15-L19 PolarHBondContact O-N 3.47Å; L15-I47 HydrophobicContact CD2-CG2 4.16Å; L15-I50 HydrophobicContact CD1-CG2 3.81Å; L15-L51 HydrophobicContact CB-CD1 4Å; L15-L51 HydrophobicContact CB-CD2 4.42Å; L15-L51 HydrophobicContact CB-CG 3.91Å; L15-K54 HydrophobicContact CD1-CD 4.14Å
16E85.1Confident80.4Confident68 Ų6870 Ų7032%0.31836%0.363SS..Hα-helixtrans-66.1-39.2176.5-73.9178.1163.500112.1V12 L13 S20 L51 K55V12-E16 WeakPolarHBondContact O-CG 3.38Å; V12-E16 PolarHBondContact O-N 2.94Å; L13-E16 PolarHBondContact O-N 3.15Å; E16-S20 WeakPolarHBondContact O-CB 3.49Å; E16-S20 PolarHBondContact O-N 2.95Å; E16-S20 PolarHBondContact O-OG 3.16Å; E16-L51 HydrophobicContact CG-CD1 3.97Å; E16-L51 HydrophobicContact CG-CD2 3.79Å; E16-K55 WeakPolarHBondContact OE1-CE 3.16Å; E16-K55 IonicContact OE1-NZ 2.73Å; E16-K55 PolarHBondContact OE1-NZ 3.23Å
17E86Confident81.1Confident109 Ų10972 Ų7251%0.50937%0.368SS..Hα-helixtrans-65.5-43.6174.1-166.1-168.6153.700111.3L13 S20 K21L13-E17 PolarHBondContact O-N 3.39Å; E17-S20 PolarHBondContact O-N 2.76Å; E17-K21 WeakPolarHBondContact O-CG 3.42Å; E17-K21 PolarHBondContact O-N 3.32Å; E17-K21 VanDerWaalsContact OE1-CE 3.24Å; E17-K21 WeakPolarHBondContact OE1-CE 3.42Å; E17-K21 IonicContact OE1-NZ 2.79Å; E17-K21 PolarHBondContact OE1-NZ 3.08Å
18L84.9Confident81.6Confident51 Ų5175 Ų7527%0.26738%0.381SS..Hα-helixtrans-65.9-41.6178.4-159.3158000111.2L10 E14 L15 S20 K21 Q22 I47L10-L18 HydrophobicContact CD1-CD1 3.92Å; E14-L18 VanDerWaalsContact O-CB 3.28Å; E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 PolarHBondContact O-N 3.05Å; L15-L18 PolarHBondContact O-N 2.8Å; L18-S20 PolarHBondContact O-N 2.98Å; L18-K21 PolarHBondContact O-N 3.38Å; L18-Q22 HydrophobicContact CD2-CG 4.11Å; L18-Q22 VanDerWaalsContact CD2-NE2 3.34Å; L18-Q22 WeakPolarHBondContact O-CG 3.39Å; L18-Q22 PolarHBondContact O-N 3.13Å; L18-I47 HydrophobicContact CD2-CD1 3.34Å; L18-I47 HydrophobicContact CD2-CG1 4.24Å
19L87.3Confident82Confident25 Ų2571.4 Ų71.413%0.13137%0.366CS..Hα-helixtrans-58.9-46.2173.1-176.163.2000111.2L15 K21 Q22 L23 I44 I47 Q48 L51L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.26Å; L15-L19 PolarHBondContact O-N 3.47Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.99Å; L19-Q22 PolarHBondContact O-N 2.9Å; L19-L23 HydrophobicContact CD1-CD1 4.33Å; L19-L23 HydrophobicContact CD1-CG 4.34Å; L19-L23 HydrophobicContact CG-CD1 3.95Å; L19-L23 HydrophobicContact CG-CG 4.38Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.42Å; L19-I44 HydrophobicContact CD1-CG2 3.92Å; L19-I47 HydrophobicContact CB-CG2 3.79Å; L19-I47 HydrophobicContact CD1-CB 4.24Å; L19-I47 HydrophobicContact CD1-CG2 3.96Å; L19-I47 HydrophobicContact CG-CG2 4.34Å; L19-Q48 HydrophobicContact CD1-CG 3.85Å; L19-Q48 HydrophobicContact CD2-CG 4.08Å; L19-L51 HydrophobicContact CB-CD1 4.5Å; L19-L51 HydrophobicContact CD2-CD1 3.94Å
20S83.1Confident81.6Confident75 Ų7571.2 Ų71.252%0.52436%0.359SS..Hα-helixtrans-60.8-42.4178.9-59.80000111.9E16 E17 L18 H24E16-S20 WeakPolarHBondContact O-CB 3.49Å; E16-S20 PolarHBondContact O-N 2.95Å; E16-S20 PolarHBondContact O-OG 3.16Å; E17-S20 PolarHBondContact O-N 2.76Å; L18-S20 PolarHBondContact O-N 2.98Å; S20-H24 WeakPolarHBondContact O-CB 3.45Å; S20-H24 PolarHBondContact O-N 3.47Å
21K85.4Confident80.7Confident121 Ų12175.8 Ų75.853%0.52639%0.391SS..Hα-helixtrans-62.6-42.6174.9-72.8173.9-174.4165.30112.1E17 L18 L19 L25E17-K21 WeakPolarHBondContact O-CG 3.42Å; E17-K21 PolarHBondContact O-N 3.32Å; E17-K21 VanDerWaalsContact OE1-CE 3.24Å; E17-K21 WeakPolarHBondContact OE1-CE 3.42Å; E17-K21 IonicContact OE1-NZ 2.79Å; E17-K21 PolarHBondContact OE1-NZ 3.08Å; L18-K21 PolarHBondContact O-N 3.38Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.99Å; K21-L25 WeakPolarHBondContact O-CB 3.33Å; K21-L25 PolarHBondContact O-N 2.89Å
22Q85.8Confident80Confident38 Ų3880.1 Ų80.118%0.17840%0.403CS..Hα-helixtrans-71.9-37.5179.8-70.9-166.55.500112.9L18 L19 L25 R26 L40 S43 I44 I47L18-Q22 HydrophobicContact CD2-CG 4.11Å; L18-Q22 VanDerWaalsContact CD2-NE2 3.34Å; L18-Q22 WeakPolarHBondContact O-CG 3.39Å; L18-Q22 PolarHBondContact O-N 3.13Å; L19-Q22 PolarHBondContact O-N 2.9Å; Q22-L25 WeakPolarHBondContact O-CB 3.35Å; Q22-L25 PolarHBondContact O-N 3.37Å; Q22-R26 WeakPolarHBondContact O-CB 3.34Å; Q22-R26 PolarHBondContact O-N 3.24Å; Q22-L40 HydrophobicContact CB-CD1 4.05Å; Q22-L40 HydrophobicContact CG-CD1 4.23Å; Q22-S43 VanDerWaalsContact CD-OG 3.24Å; Q22-S43 PolarHBondContact NE2-OG 3Å; Q22-S43 PolarHBondContact OE1-OG 2.89Å; Q22-I44 HydrophobicContact CB-CD1 4.3Å; Q22-I44 HydrophobicContact CB-CG1 3.79Å; Q22-I47 VanDerWaalsContact CD-CD1 3.41Å; Q22-I47 HydrophobicContact CG-CD1 4.4Å
23L83.9Confident79.1Confident43 Ų4380.7 Ų80.723%0.22540%0.404CS..Hα-helixtrans-62.1-44.4172.1-73.1170.9000111.2L19 L25 R26 D27 I44L19-L23 HydrophobicContact CD1-CD1 4.33Å; L19-L23 HydrophobicContact CD1-CG 4.34Å; L19-L23 HydrophobicContact CG-CD1 3.95Å; L19-L23 HydrophobicContact CG-CG 4.38Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.42Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 2.85Å; L23-R26 WeakPolarHBondContact O-CB 3.47Å; L23-R26 PolarHBondContact O-N 3.32Å; L23-R26 VanDerWaalsContact O-N 3.15Å; L23-D27 VanDerWaalsContact O-CG 3.22Å; L23-D27 PolarHBondContact O-N 3.1Å; L23-I44 HydrophobicContact CD2-CD1 4.23Å; L23-I44 HydrophobicContact CD2-CG2 4.05Å
24H82.8Confident77.9Confident117 Ų11780.8 Ų80.854%0.54241%0.413SS..Hα-helixtrans-61.9-41.3175.5-172.968.4000112.4S20 R26 D27 H28S20-H24 WeakPolarHBondContact O-CB 3.45Å; S20-H24 PolarHBondContact O-N 3.47Å; H24-R26 VanDerWaalsContact C-N 3.3Å; H24-R26 PolarHBondContact O-N 3.03Å; H24-D27 PolarHBondContact O-N 2.72Å; H24-H28 AromaticContact CE1-CD2 3.24Å; H24-H28 PolarHBondContact CE1-CD2 3.06Å; H24-H28 AromaticContact CE1-NE2 3.19Å; H24-H28 PolarHBondContact CE1-NE2 2.69Å; H24-H28 AromaticContact ND1-CD2 3.65Å; H24-H28 AromaticContact ND1-NE2 3.85Å; H24-H28 AromaticContact NE2-CD2 3.52Å; H24-H28 AromaticContact NE2-NE2 3.78Å; H24-H28 PolarHBondContact O-CD2 2.71Å; H24-H28 PolarHBondContact O-N 3.16Å
25L79.5Confident77.3Confident77 Ų7779.9 Ų79.940%0.40341%0.41SS..Hα-helixtrans-61.7-40.8174.7-162.383.3000111.3K21 Q22 L23 L29 L40K21-L25 WeakPolarHBondContact O-CB 3.33Å; K21-L25 PolarHBondContact O-N 2.89Å; Q22-L25 WeakPolarHBondContact O-CB 3.35Å; Q22-L25 PolarHBondContact O-N 3.37Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 2.85Å; L25-L29 HydrophobicContact CD1-CD1 3.65Å; L25-L29 HydrophobicContact CG-CD1 4.11Å; L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 PolarHBondContact O-N 3.08Å; L25-L40 HydrophobicContact CB-CD2 4.26Å; L25-L40 HydrophobicContact CD2-CD1 3.98Å; L25-L40 HydrophobicContact CD2-CD2 3.99Å; L25-L40 HydrophobicContact CG-CD2 4.3Å
26R79.3Confident76.5Confident80 Ų8084.5 Ų84.530%0.30244%0.442SS..Hα-helixtrans-62.4-52.6178-172.1-161.662-169.5-3.3110.4Q22 L23 H24 H28 L29 L30 L40 I44Q22-R26 WeakPolarHBondContact O-CB 3.34Å; Q22-R26 PolarHBondContact O-N 3.24Å; L23-R26 WeakPolarHBondContact O-CB 3.47Å; L23-R26 PolarHBondContact O-N 3.32Å; L23-R26 VanDerWaalsContact O-N 3.15Å; H24-R26 VanDerWaalsContact C-N 3.3Å; H24-R26 PolarHBondContact O-N 3.03Å; R26-H28 PolarHBondContact O-N 3.02Å; R26-H28 VanDerWaalsContact O-N 3.17Å; R26-L29 PolarHBondContact O-N 3.48Å; R26-L30 HydrophobicContact CG-CB 4.31Å; R26-L30 HydrophobicContact CG-CD1 3.71Å; R26-L30 HydrophobicContact CG-CD2 4.46Å; R26-L30 HydrophobicContact CG-CG 4.4Å; R26-L30 WeakPolarHBondContact O-CB 3.3Å; R26-L30 PolarHBondContact O-N 2.76Å; R26-L40 HydrophobicContact CB-CD2 3.75Å; R26-L40 HydrophobicContact CB-CG 4.36Å; R26-L40 HydrophobicContact CG-CD2 4.33Å; R26-I44 HydrophobicContact CB-CD1 3.97Å; R26-I44 HydrophobicContact CG-CD1 4.26Å
27D79.5Confident76.1Confident108 Ų10881.3 Ų81.358%0.57843%0.427SS*.Hα-helixtrans-63.5-27.7-174.4-60.7-13.8000112.4L23 H24L23-D27 VanDerWaalsContact O-CG 3.22Å; L23-D27 PolarHBondContact O-N 3.1Å; H24-D27 PolarHBondContact O-N 2.72Å
28H78.3Confident75.6Confident124 Ų12483 Ų8357%0.57444%0.435SS*.Hα-helixtrans-93.6-30.8178.1-81.1-67.3000115.8H24 R26H24-H28 AromaticContact CE1-CD2 3.24Å; H24-H28 PolarHBondContact CE1-CD2 3.06Å; H24-H28 AromaticContact CE1-NE2 3.19Å; H24-H28 PolarHBondContact CE1-NE2 2.69Å; H24-H28 AromaticContact ND1-CD2 3.65Å; H24-H28 AromaticContact ND1-NE2 3.85Å; H24-H28 AromaticContact NE2-CD2 3.52Å; H24-H28 AromaticContact NE2-NE2 3.78Å; H24-H28 PolarHBondContact O-CD2 2.71Å; H24-H28 PolarHBondContact O-N 3.16Å; R26-H28 PolarHBondContact O-N 3.02Å; R26-H28 VanDerWaalsContact O-N 3.17Å
29L77.4Confident75.2Confident67 Ų6788 Ų8835%0.35146%0.455SS..Hα-helixtrans-124.8-6.2-165.9-70.3161.2000114.9L25 R26 K32 L33L25-L29 HydrophobicContact CD1-CD1 3.65Å; L25-L29 HydrophobicContact CG-CD1 4.11Å; L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 PolarHBondContact O-N 3.08Å; R26-L29 PolarHBondContact O-N 3.48Å; L29-K32 HydrophobicContact CD2-CB 4.38Å; L29-K32 HydrophobicContact CD2-CD 4.21Å; L29-K32 WeakPolarHBondContact O-CA 3.38Å; L29-K32 PolarHBondContact O-N 2.9Å; L29-L33 HydrophobicContact CB-CG 4.45Å; L29-L33 WeakPolarHBondContact O-CG 3.25Å; L29-L33 PolarHBondContact O-N 3.3Å
30L67.3Low74.8Confident57 Ų5787.8 Ų87.830%0.29845%0.454SS..G310 helixtrans-46.4-50.3-178.3-166.281.5000113.9R26 K32 L33 S36 V41R26-L30 HydrophobicContact CG-CB 4.31Å; R26-L30 HydrophobicContact CG-CD1 3.71Å; R26-L30 HydrophobicContact CG-CD2 4.46Å; R26-L30 HydrophobicContact CG-CG 4.4Å; R26-L30 WeakPolarHBondContact O-CB 3.3Å; R26-L30 PolarHBondContact O-N 2.76Å; L30-K32 PolarHBondContact O-N 2.74Å; L30-L33 PolarHBondContact O-N 2.73Å; L30-S36 CarbonylContact O-C 3.55Å; L30-V41 HydrophobicContact CD1-CG2 4.1Å
31P60.1Low74.8Confident120 Ų12086.8 Ų86.878%0.77944%0.444SS*.G310 helixtrans-72.4-10.4179.427.8-34.3000114.5
32K67.3Low74.5Confident169 Ų16983.2 Ų83.274%0.73544%0.435SS*.G310 helixtrans-101.2-6.9-179.7-65.6-175179.1178.30113.4L29 L30L29-K32 HydrophobicContact CD2-CB 4.38Å; L29-K32 HydrophobicContact CD2-CD 4.21Å; L29-K32 WeakPolarHBondContact O-CA 3.38Å; L29-K32 PolarHBondContact O-N 2.9Å; L30-K32 PolarHBondContact O-N 2.74Å
33L62Low74.4Confident50 Ų5082.9 Ų82.926%0.26244%0.436SS..SBendtrans-79145.7-178.8-73.3168.2000111.1L29 L30 D35 S36 L40L29-L33 HydrophobicContact CB-CG 4.45Å; L29-L33 WeakPolarHBondContact O-CG 3.25Å; L29-L33 PolarHBondContact O-N 3.3Å; L30-L33 PolarHBondContact O-N 2.73Å; L33-D35 PolarHBondContact O-N 2.88Å; L33-S36 PolarHBondContact O-N 3.26Å; L33-S36 VanDerWaalsContact O-N 3.07Å; L33-L40 HydrophobicContact CD1-CB 4.34Å; L33-L40 HydrophobicContact CD1-CD2 3.83Å
34P55.4Low74.5Confident134 Ų13481 Ų8187%0.8743%0.427SS*.THydrogen-bonded Turntrans-67-17.9-171.626.1-34.8000114.5
35D68.1Low74.7Confident44 Ų4480.8 Ų80.824%0.23543%0.426CS..THydrogen-bonded Turntrans-111.922.9176.962.6-14.9000111.8L33 G37 E38 K39L33-D35 PolarHBondContact O-N 2.88Å; D35-G37 PolarHBondContact O-N 3.43Å; D35-G37 WeakPolarHBondContact OD1-CA 3.5Å; D35-G37 PolarHBondContact OD1-N 2.91Å; D35-E38 PolarHBondContact O-N 3.45Å; D35-E38 VanDerWaalsContact O-N 3.14Å; D35-K39 WeakPolarHBondContact OD2-CB 3.49Å; D35-K39 WeakPolarHBondContact OD2-CD 3.5Å; D35-K39 WeakPolarHBondContact OD2-CG 3.46Å; D35-K39 PolarHBondContact OD2-N 3.26Å; D35-K39 VanDerWaalsContact OD2-N 3.07Å
36S68.8Low75Confident98 Ų9883.2 Ų83.269%0.68543%0.433SS*.THydrogen-bonded Turntrans54.718-170.2-59.40000113.7L30 L33L30-S36 CarbonylContact O-C 3.55Å; L33-S36 PolarHBondContact O-N 3.26Å; L33-S36 VanDerWaalsContact O-N 3.07Å
37G75.2Confident75.2Confident0 Ų079.4 Ų79.40%042%0.419CS..THydrogen-bonded Turntrans81.813.1178.900000115.5D35 K39 L40 V41D35-G37 PolarHBondContact O-N 3.43Å; D35-G37 WeakPolarHBondContact OD1-CA 3.5Å; D35-G37 PolarHBondContact OD1-N 2.91Å; G37-K39 VanDerWaalsContact C-N 3.34Å; G37-K39 PolarHBondContact O-N 3.5Å; G37-L40 WeakPolarHBondContact O-CA 3.34Å; G37-L40 WeakPolarHBondContact O-CB 3.46Å; G37-L40 PolarHBondContact O-N 2.91Å; G37-V41 WeakPolarHBondContact O-CG2 3.47Å; G37-V41 PolarHBondContact O-N 2.67Å
38E75.6Confident75.6Confident145 Ų14578.3 Ų78.368%0.67841%0.41SS*.Hα-helixtrans-55.7-43.6-179.9-168.9-176.4179.700112.9D35 L40 V41 S42D35-E38 PolarHBondContact O-N 3.45Å; D35-E38 VanDerWaalsContact O-N 3.14Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 2.83Å; E38-V41 PolarHBondContact O-N 2.74Å; E38-S42 PolarHBondContact O-N 3.36Å
39K76.3Confident75.9Confident156 Ų15674.7 Ų74.768%0.67840%0.402SS*.Hα-helixtrans-64.4-33.3176.1-72.6173.8-176.4173.60113D35 G37 S43D35-K39 WeakPolarHBondContact OD2-CB 3.49Å; D35-K39 WeakPolarHBondContact OD2-CD 3.5Å; D35-K39 WeakPolarHBondContact OD2-CG 3.46Å; D35-K39 PolarHBondContact OD2-N 3.26Å; D35-K39 VanDerWaalsContact OD2-N 3.07Å; G37-K39 VanDerWaalsContact C-N 3.34Å; G37-K39 PolarHBondContact O-N 3.5Å; K39-S43 VanDerWaalsContact O-CB 3.32Å; K39-S43 WeakPolarHBondContact O-CB 3.4Å; K39-S43 PolarHBondContact O-N 2.99Å
40L79.6Confident76.2Confident21 Ų2173 Ų7311%0.1139%0.393CS..Hα-helixtrans-69.4-41.3176.4-178.462000110.2Q22 L25 R26 L33 G37 E38 S43 I44Q22-L40 HydrophobicContact CB-CD1 4.05Å; Q22-L40 HydrophobicContact CG-CD1 4.23Å; L25-L40 HydrophobicContact CB-CD2 4.26Å; L25-L40 HydrophobicContact CD2-CD1 3.98Å; L25-L40 HydrophobicContact CD2-CD2 3.99Å; L25-L40 HydrophobicContact CG-CD2 4.3Å; R26-L40 HydrophobicContact CB-CD2 3.75Å; R26-L40 HydrophobicContact CB-CG 4.36Å; R26-L40 HydrophobicContact CG-CD2 4.33Å; L33-L40 HydrophobicContact CD1-CB 4.34Å; L33-L40 HydrophobicContact CD1-CD2 3.83Å; G37-L40 WeakPolarHBondContact O-CA 3.34Å; G37-L40 WeakPolarHBondContact O-CB 3.46Å; G37-L40 PolarHBondContact O-N 2.91Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 2.83Å; L40-S43 PolarHBondContact O-N 3.28Å; L40-I44 HydrophobicContact CD1-CD1 4.37Å; L40-I44 HydrophobicContact CG-CD1 4.06Å; L40-I44 WeakPolarHBondContact O-CD1 3.25Å; L40-I44 VanDerWaalsContact O-CG1 3.25Å; L40-I44 WeakPolarHBondContact O-CG1 3.48Å; L40-I44 PolarHBondContact O-N 3.08Å
41V82.2Confident77.1Confident53 Ų5370.7 Ų70.732%0.32138%0.381SS..Hα-helixtrans-61.1-50.31741760000110.9L30 G37 E38 S43 I44 E45L30-V41 HydrophobicContact CD1-CG2 4.1Å; G37-V41 WeakPolarHBondContact O-CG2 3.47Å; G37-V41 PolarHBondContact O-N 2.67Å; E38-V41 PolarHBondContact O-N 2.74Å; V41-S43 VanDerWaalsContact C-N 3.27Å; V41-S43 PolarHBondContact O-N 3.35Å; V41-I44 WeakPolarHBondContact O-CB 3.34Å; V41-I44 PolarHBondContact O-N 2.99Å; V41-I44 VanDerWaalsContact O-N 3.08Å; V41-E45 HydrophobicContact CG1-CG 4.49Å; V41-E45 WeakPolarHBondContact O-CG 3.45Å; V41-E45 PolarHBondContact O-N 3.43Å
42S80.4Confident78.1Confident47 Ų4768.3 Ų68.333%0.32937%0.367SS..Hα-helixtrans-60.3-36.1177.5-176.30000112.7E38 K46E38-S42 PolarHBondContact O-N 3.36Å; S42-K46 WeakPolarHBondContact O-CB 3.47Å; S42-K46 WeakPolarHBondContact O-CG 3.21Å; S42-K46 PolarHBondContact O-N 3.35Å
43S83.5Confident78.7Confident30 Ų3065.1 Ų65.121%0.2136%0.358CS..Hα-helixtrans-65.9-43.8174178.10000112.1Q22 K39 L40 V41 K46 I47Q22-S43 VanDerWaalsContact CD-OG 3.24Å; Q22-S43 PolarHBondContact NE2-OG 3Å; Q22-S43 PolarHBondContact OE1-OG 2.89Å; K39-S43 VanDerWaalsContact O-CB 3.32Å; K39-S43 WeakPolarHBondContact O-CB 3.4Å; K39-S43 PolarHBondContact O-N 2.99Å; L40-S43 PolarHBondContact O-N 3.28Å; V41-S43 VanDerWaalsContact C-N 3.27Å; V41-S43 PolarHBondContact O-N 3.35Å; S43-K46 PolarHBondContact O-N 2.81Å; S43-I47 WeakPolarHBondContact O-CD1 3.43Å; S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.27Å; S43-I47 PolarHBondContact O-N 3.06Å
44I85.9Confident79.6Confident5 Ų565.6 Ų65.63%0.02636%0.358CS..Hα-helixtrans-61.1-45.9176.3-71.8164.1000110.4L19 Q22 L23 R26 L40 V41 K46 I47 Q48L19-I44 HydrophobicContact CD1-CG2 3.92Å; Q22-I44 HydrophobicContact CB-CD1 4.3Å; Q22-I44 HydrophobicContact CB-CG1 3.79Å; L23-I44 HydrophobicContact CD2-CD1 4.23Å; L23-I44 HydrophobicContact CD2-CG2 4.05Å; R26-I44 HydrophobicContact CB-CD1 3.97Å; R26-I44 HydrophobicContact CG-CD1 4.26Å; L40-I44 HydrophobicContact CD1-CD1 4.37Å; L40-I44 HydrophobicContact CG-CD1 4.06Å; L40-I44 WeakPolarHBondContact O-CD1 3.25Å; L40-I44 VanDerWaalsContact O-CG1 3.25Å; L40-I44 WeakPolarHBondContact O-CG1 3.48Å; L40-I44 PolarHBondContact O-N 3.08Å; V41-I44 WeakPolarHBondContact O-CB 3.34Å; V41-I44 PolarHBondContact O-N 2.99Å; V41-I44 VanDerWaalsContact O-N 3.08Å; I44-K46 PolarHBondContact O-N 3.34Å; I44-I47 PolarHBondContact O-N 2.69Å; I44-Q48 HydrophobicContact CG2-CG 4.47Å; I44-Q48 WeakPolarHBondContact O-CB 3.45Å; I44-Q48 WeakPolarHBondContact O-CG 3.28Å; I44-Q48 PolarHBondContact O-N 3.16Å
45E86.5Confident80.7Confident112 Ų11263.8 Ų63.852%0.52334%0.336SS..Hα-helixtrans-60.4-44.7176.8-72.1173.3173.600111.8V41 I47 Q48 A49V41-E45 HydrophobicContact CG1-CG 4.49Å; V41-E45 WeakPolarHBondContact O-CG 3.45Å; V41-E45 PolarHBondContact O-N 3.43Å; E45-I47 PolarHBondContact O-N 3.26Å; E45-Q48 PolarHBondContact O-N 3.26Å; E45-A49 WeakPolarHBondContact O-CB 3.32Å; E45-A49 PolarHBondContact O-N 3.04Å
46K85.5Confident81Confident128 Ų12865 Ų6556%0.55735%0.346SS*.Hα-helixtrans-60.8-42.6175.4-78176.6-177.3177.10112.4S42 S43 I44 A49 I50S42-K46 WeakPolarHBondContact O-CB 3.47Å; S42-K46 WeakPolarHBondContact O-CG 3.21Å; S42-K46 PolarHBondContact O-N 3.35Å; S43-K46 PolarHBondContact O-N 2.81Å; I44-K46 PolarHBondContact O-N 3.34Å; K46-A49 PolarHBondContact O-N 2.95Å; K46-I50 VanDerWaalsContact O-CG1 3.26Å; K46-I50 WeakPolarHBondContact O-CG1 3.47Å; K46-I50 PolarHBondContact O-N 3.26Å
47I84.9Confident80.7Confident0 Ų064 Ų640%034%0.338CS..Hα-helixtrans-65.3-42.4177-66.6156.2000110.6L7 L15 L18 L19 Q22 S43 I44 E45 I50 L51L7-I47 HydrophobicContact CD2-CD1 4.36Å; L7-I47 HydrophobicContact CD2-CG1 3.6Å; L15-I47 HydrophobicContact CD2-CG2 4.16Å; L18-I47 HydrophobicContact CD2-CD1 3.34Å; L18-I47 HydrophobicContact CD2-CG1 4.24Å; L19-I47 HydrophobicContact CB-CG2 3.79Å; L19-I47 HydrophobicContact CD1-CB 4.24Å; L19-I47 HydrophobicContact CD1-CG2 3.96Å; L19-I47 HydrophobicContact CG-CG2 4.34Å; Q22-I47 VanDerWaalsContact CD-CD1 3.41Å; Q22-I47 HydrophobicContact CG-CD1 4.4Å; S43-I47 WeakPolarHBondContact O-CD1 3.43Å; S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.27Å; S43-I47 PolarHBondContact O-N 3.06Å; I44-I47 PolarHBondContact O-N 2.69Å; E45-I47 PolarHBondContact O-N 3.26Å; I47-I50 PolarHBondContact O-N 3.5Å; I47-L51 HydrophobicContact CG2-CD1 4.12Å; I47-L51 WeakPolarHBondContact O-CB 3.37Å; I47-L51 PolarHBondContact O-N 3.43Å
48Q87.4Confident79.8Confident84 Ų8470 Ų7039%0.39337%0.369SS..Hα-helixtrans-64.1-40.3177.3-74.6176.8-1700112.5L19 I44 E45 L51 S52L19-Q48 HydrophobicContact CD1-CG 3.85Å; L19-Q48 HydrophobicContact CD2-CG 4.08Å; I44-Q48 HydrophobicContact CG2-CG 4.47Å; I44-Q48 WeakPolarHBondContact O-CB 3.45Å; I44-Q48 WeakPolarHBondContact O-CG 3.28Å; I44-Q48 PolarHBondContact O-N 3.16Å; E45-Q48 PolarHBondContact O-N 3.26Å; Q48-L51 PolarHBondContact O-N 3.07Å; Q48-S52 WeakPolarHBondContact O-CB 3.13Å; Q48-S52 PolarHBondContact O-N 3.41Å; Q48-S52 PolarHBondContact O-OG 3.42Å
49A83.8Confident78.6Confident49 Ų4969.7 Ų69.741%0.40537%0.372SS..Hα-helixtrans-61.3-50.5174.600000111E45 K46 L51 S52 D53E45-A49 WeakPolarHBondContact O-CB 3.32Å; E45-A49 PolarHBondContact O-N 3.04Å; K46-A49 PolarHBondContact O-N 2.95Å; A49-L51 VanDerWaalsContact C-N 3.32Å; A49-L51 PolarHBondContact O-N 3.12Å; A49-S52 WeakPolarHBondContact O-CB 3.18Å; A49-S52 PolarHBondContact O-N 3.28Å; A49-S52 VanDerWaalsContact O-N 3.13Å; A49-D53 PolarHBondContact O-N 3.25Å
50I84.9Confident77Confident30 Ų3068.1 Ų68.115%0.15437%0.371CS..Hα-helixtrans-62.2-39.4178-64.6167.3000111.5L7 E8 L15 K46 I47 K54L7-I50 HydrophobicContact CB-CD1 3.66Å; E8-I50 HydrophobicContact CG-CD1 4.46Å; L15-I50 HydrophobicContact CD1-CG2 3.81Å; K46-I50 VanDerWaalsContact O-CG1 3.26Å; K46-I50 WeakPolarHBondContact O-CG1 3.47Å; K46-I50 PolarHBondContact O-N 3.26Å; I47-I50 PolarHBondContact O-N 3.5Å; I50-K54 HydrophobicContact CG2-CD 4.48Å; I50-K54 WeakPolarHBondContact O-CB 3.22Å; I50-K54 WeakPolarHBondContact O-CG 3.34Å; I50-K54 PolarHBondContact O-N 3.22Å
51L85.5Confident74.9Confident10 Ų1073.8 Ų73.85%0.05240%0.401CS..Hα-helixtrans-64-40.5175.6-105.2161.5000112.1V12 L15 E16 L19 I47 Q48 A49 K55V12-L51 HydrophobicContact CG1-CD2 3.81Å; L15-L51 HydrophobicContact CB-CD1 4Å; L15-L51 HydrophobicContact CB-CD2 4.42Å; L15-L51 HydrophobicContact CB-CG 3.91Å; E16-L51 HydrophobicContact CG-CD1 3.97Å; E16-L51 HydrophobicContact CG-CD2 3.79Å; L19-L51 HydrophobicContact CB-CD1 4.5Å; L19-L51 HydrophobicContact CD2-CD1 3.94Å; I47-L51 HydrophobicContact CG2-CD1 4.12Å; I47-L51 WeakPolarHBondContact O-CB 3.37Å; I47-L51 PolarHBondContact O-N 3.43Å; Q48-L51 PolarHBondContact O-N 3.07Å; A49-L51 VanDerWaalsContact C-N 3.32Å; A49-L51 PolarHBondContact O-N 3.12Å; L51-K55 WeakPolarHBondContact O-CB 3.37Å; L51-K55 VanDerWaalsContact O-CG 3.31Å; L51-K55 WeakPolarHBondContact O-CG 3.04Å; L51-K55 PolarHBondContact O-N 2.88Å
52S80.7Confident72.5Confident69 Ų6978.5 Ų78.548%0.48342%0.424SS..Hα-helixtrans-65.6-49.4177.6-58.20000110.3Q48 A49 K54 K55 T56Q48-S52 WeakPolarHBondContact O-CB 3.13Å; Q48-S52 PolarHBondContact O-N 3.41Å; Q48-S52 PolarHBondContact O-OG 3.42Å; A49-S52 WeakPolarHBondContact O-CB 3.18Å; A49-S52 PolarHBondContact O-N 3.28Å; A49-S52 VanDerWaalsContact O-N 3.13Å; S52-K54 VanDerWaalsContact C-N 3.34Å; S52-K54 PolarHBondContact O-N 3.46Å; S52-K55 PolarHBondContact O-N 2.67Å; S52-K55 VanDerWaalsContact O-N 3.16Å; S52-T56 PolarHBondContact O-N 2.79Å; S52-T56 PolarHBondContact O-OG1 3.3Å
53D80.8Confident70.1Confident103 Ų10385 Ų8555%0.55145%0.447SS*.Hα-helixtrans-57.9-44.8178.2-72.5-10.2000111.8A49 T56 C57A49-D53 PolarHBondContact O-N 3.25Å; D53-T56 VanDerWaalsContact C-OG1 3.31Å; D53-T56 VanDerWaalsContact CA-OG1 3.27Å; D53-T56 WeakPolarHBondContact CA-OG1 3.3Å; D53-T56 PolarHBondContact O-N 3.35Å; D53-T56 PolarHBondContact O-OG1 2.96Å; D53-C57 PolarHBondContact O-N 3Å; D53-C57 PolarHBondContact O-SG 3.32Å
54K80.2Confident67.4Low60 Ų6091 Ų9126%0.26148%0.476SS..Hα-helixtrans-67.5-38.5177.2-76.2-167.7179.4-163.90113E8 L10 V12 L15 I50 S52 C57 L58E8-K54 WeakPolarHBondContact O-CE 3.31Å; E8-K54 PolarHBondContact O-NZ 2.97Å; L10-K54 PolarHBondContact O-NZ 3.37Å; V12-K54 HydrophobicContact CG2-CB 4.29Å; V12-K54 HydrophobicContact CG2-CD 4.44Å; L15-K54 HydrophobicContact CD1-CD 4.14Å; I50-K54 HydrophobicContact CG2-CD 4.48Å; I50-K54 WeakPolarHBondContact O-CB 3.22Å; I50-K54 WeakPolarHBondContact O-CG 3.34Å; I50-K54 PolarHBondContact O-N 3.22Å; S52-K54 VanDerWaalsContact C-N 3.34Å; S52-K54 PolarHBondContact O-N 3.46Å; K54-C57 PolarHBondContact O-N 3.46Å; K54-L58 WeakPolarHBondContact O-CG 3.19Å; K54-L58 PolarHBondContact O-N 2.83Å
55K79.5Confident64.9Low95 Ų9596 Ų9641%0.41351%0.509SS..Hα-helixtrans-68.1-36.4175.6-77.3179.8179179.50111.6E16 L51 S52 L58 L59E16-K55 WeakPolarHBondContact OE1-CE 3.16Å; E16-K55 IonicContact OE1-NZ 2.73Å; E16-K55 PolarHBondContact OE1-NZ 3.23Å; L51-K55 WeakPolarHBondContact O-CB 3.37Å; L51-K55 VanDerWaalsContact O-CG 3.31Å; L51-K55 WeakPolarHBondContact O-CG 3.04Å; L51-K55 PolarHBondContact O-N 2.88Å; S52-K55 PolarHBondContact O-N 2.67Å; S52-K55 VanDerWaalsContact O-N 3.16Å; K55-L58 PolarHBondContact O-N 2.77Å; K55-L59 WeakPolarHBondContact O-CG 2.91Å; K55-L59 PolarHBondContact O-N 2.97Å
56T73.9Confident62.7Low70 Ų7095.8 Ų95.843%0.42952%0.518SS..Hα-helixtrans-69.5-36.5173.842.20000113S52 D53 L59 N60S52-T56 PolarHBondContact O-N 2.79Å; S52-T56 PolarHBondContact O-OG1 3.3Å; D53-T56 VanDerWaalsContact C-OG1 3.31Å; D53-T56 VanDerWaalsContact CA-OG1 3.27Å; D53-T56 WeakPolarHBondContact CA-OG1 3.3Å; D53-T56 PolarHBondContact O-N 3.35Å; D53-T56 PolarHBondContact O-OG1 2.96Å; T56-L59 PolarHBondContact O-N 3.4Å; T56-N60 PolarHBondContact O-N 3.36Å; T56-N60 VanDerWaalsContact O-N 3.14Å
57C62.3Low59.8Low78 Ų7896.9 Ų96.953%0.52753%0.528SS..Hα-helixtrans-65.4-40.6173.8-67.60000111.4D53 K54 L59 N60 D61D53-C57 PolarHBondContact O-N 3Å; D53-C57 PolarHBondContact O-SG 3.32Å; K54-C57 PolarHBondContact O-N 3.46Å; C57-L59 PolarHBondContact O-N 3.02Å; C57-N60 PolarHBondContact O-N 2.94Å; C57-D61 PolarHBondContact O-N 3Å
58L56Low56.7Low125 Ų125101.1 Ų101.165%0.65456%0.563SS**Hα-helixtrans-64.5-24.1174.9-76.6165.1000113.8V12 K54 K55V12-L58 HydrophobicContact CG2-CD1 4.12Å; K54-L58 WeakPolarHBondContact O-CG 3.19Å; K54-L58 PolarHBondContact O-N 2.83Å; K55-L58 PolarHBondContact O-N 2.77Å
59L49.7Very low53.9Low139 Ų139104.7 Ų104.773%0.72859%0.585SS**Hα-helixtrans-88.4-22.5178.3-78.7163.3000113.5K55 T56 C57K55-L59 WeakPolarHBondContact O-CG 2.91Å; K55-L59 PolarHBondContact O-N 2.97Å; T56-L59 PolarHBondContact O-N 3.4Å; C57-L59 PolarHBondContact O-N 3.02Å
60N43.6Very low50.9Low123 Ų123110.4 Ų110.466%0.65860%0.603SS**Hα-helixtrans-104.40.8-174.3-75-14.3000114.6T56 C57 D62T56-N60 PolarHBondContact O-N 3.36Å; T56-N60 VanDerWaalsContact O-N 3.14Å; C57-N60 PolarHBondContact O-N 2.94Å; N60-D62 PolarHBondContact O-N 3.23Å
61D35.1Very low48Very low139 Ų139114.8 Ų114.874%0.74363%0.631SS**  trans-77.52.6177.2-88.4-18.5000114.8C57C57-D61 PolarHBondContact O-N 3Å
62D33Very low44.9Very low153 Ų153123.5 Ų123.582%0.81867%0.668SS**SBendtrans-99.265.3162.1-86.9-23.4000110.7N60N60-D62 PolarHBondContact O-N 3.23Å
63K29.4Very low42.3Very low184 Ų184127.1 Ų127.180%0.869%0.688SS**SBendtrans174102.9146-93.8155.5-169.2-177.60113.6
64N26.7Very low39.4Very low155 Ų155127.6 Ų127.683%0.82969%0.694SS**  trans82.3137.2145-67.5-16.2000121.7
65P32.8Very low36.6Very low111 Ų111133.3 Ų133.372%0.72172%0.722SS**  trans-98.1-156.9175.143.6-35.5000110.8
66P40.3Very low33.9Very low107 Ų107132.6 Ų132.670%0.69573%0.733SS**  -114.1-169.9-51.528.4-8.1000109.6
67I24.3Very low31.6Very low151 Ų151137.3 Ų137.377%0.77476%0.755SS**  170.5122.9125.6-82.8152.6000109.4
68A21.5Very low29.6Very low88 Ų88138.4 Ų138.473%0.72776%0.763SS**  trans-68.7146.1166.100000110.9
69N27.2Very low28Very low160 Ų160138.8 Ų138.886%0.85677%0.766SS**  trans-147.4114.1150.9-93.1-25.4000110.5
70E20.7Very low26.8Very low169 Ų169140.3 Ų140.379%0.7977%0.774SS**  trans-67150.3158.6-59.9174.4141.300110.3
71T24.1Very low25.7Very low121 Ų121141 Ų14174%0.74278%0.783SS**  155.1124.3115.137.20000114
72K21.7Very low25.3Very low193 Ų193138.8 Ų138.884%0.83978%0.779SS**  trans29.9125.8137.1-67.8174.9175.6174.60119.7
73V25.4Very low24.7Very low146 Ų146138.4 Ų138.489%0.88578%0.777SS**  -153.2116.6115.6177.20000110.2
74T19.8Very low24.6Very low113 Ų113140.4 Ų140.469%0.69378%0.781SS**  trans-80.3137.1153.939.90000109.6
75H22.4Very low24.3Very low180 Ų180140.3 Ų140.383%0.83378%0.78SS**  166.5135.9128.9-94.9-74000113.2
76A22.7Very low23.8Very low80 Ų80138.1 Ų138.166%0.66178%0.778SS**  trans70.3109.4146.500000119.5
77L25.2Very low23Very low169 Ų169140.2 Ų140.289%0.88578%0.783SS**  -167.475.4116.7-98.9150.6000109.5
78S19.6Very low23Very low100 Ų100142.9 Ų142.970%0.69979%0.793SS**  trans-66.2124.3143.249.80000107.9
79N22Very low23.3Very low134 Ų134143.1 Ų143.172%0.71779%0.789SS**  trans14291153.4-74-7.2000109.9
80L24.8Very low23.2Very low170 Ų170143.2 Ų143.289%0.8978%0.784SS**  trans-143.674.5145.8-128.4100.8000108.3
81T20.5Very low23.2Very low137 Ų137140 Ų14084%0.8478%0.78SS**  trans-74.3108.7152.939.60000107.3
82S27.4Very low23.2Very low94 Ų94144.7 Ų144.766%0.65779%0.785SS**  trans-118.6111.4160.662.60000108.4Y84S82-Y84 PolarHBondContact O-N 2.68Å
83N21Very low23.3Very low145 Ų145140.3 Ų140.378%0.77577%0.774SS**  trans-50.4127166.6-64-26.7000109.8
84Y25.4Very low23.2Very low225 Ų225141.3 Ų141.388%0.88277%0.774SS**  trans-129.5114.4151.1-111.2-85.9000107.4S82S82-Y84 PolarHBondContact O-N 2.68Å
85D22.1Very low23.4Very low153 Ų153141.1 Ų141.182%0.81877%0.773SS**  trans-62.3146.7179.5-75.6-52.3000112.4
86G20.7Very low23.5Very low66 Ų66139 Ų13968%0.6877%0.768SS**  trans48.293.4136.200000117.3
87N24.5Very low24Very low151 Ų151139.6 Ų139.681%0.80777%0.765SS**  -153.5119.8127.9-93-24.8000107.9S89N87-S89 PolarHBondContact O-N 2.99Å; N87-S89 PolarHBondContact O-OG 2.95Å; N87-S89 VanDerWaalsContact O-OG 3.05Å
88E25.1Very low24.4Very low207 Ų207140.5 Ų140.597%0.96776%0.762SS**  trans-54.485.7171.2-67.6-179.6155.600109.3
89S26.2Very low25.3Very low92 Ų92142.9 Ų142.964%0.64376%0.762SS**  trans-115.1107.4173.1-40.20000103.3N87 S91N87-S89 PolarHBondContact O-N 2.99Å; N87-S89 PolarHBondContact O-OG 2.95Å; N87-S89 VanDerWaalsContact O-OG 3.05Å; S89-S91 PolarHBondContact O-N 3.18Å; S89-S91 VanDerWaalsContact O-N 3.08Å
90E25.3Very low26.3Very low162 Ų162140 Ų14076%0.75775%0.746SS**  trans-32.4119.6173.6-68.3174.5151.600109.4W92E90-W92 VanDerWaalsContact O-CD1 3.26Å; E90-W92 PolarHBondContact O-N 2.96Å
91S21.7Very low27.5Very low101 Ų101134.8 Ų134.871%0.70672%0.724SS**  trans-64.292.7175.3610000107.4S89 T93S89-S91 PolarHBondContact O-N 3.18Å; S89-S91 VanDerWaalsContact O-N 3.08Å; S91-T93 PolarHBondContact O-N 3.34Å
92W23.4Very low29.2Very low221 Ų221130.3 Ų130.384%0.83770%0.695SS**  trans-65.480.3156.6-70.770.7000105E90 N94E90-W92 VanDerWaalsContact O-CD1 3.26Å; E90-W92 PolarHBondContact O-N 2.96Å; W92-N94 VanDerWaalsContact C-N 3.31Å; W92-N94 PolarHBondContact O-N 3.33Å
93T23.9Very low30.3Very low101 Ų101127.2 Ų127.262%0.6267%0.671SS**  trans-55.6107.7162.739.50000104.6S91 T95S91-T93 PolarHBondContact O-N 3.34Å; T93-T95 PolarHBondContact O-N 3.14Å; T93-T95 PolarHBondContact O-OG1 3.01Å
94N24.3Very low32Very low167 Ų167122.9 Ų122.989%0.89365%0.652SS**  trans-62.162.2159.5-89.6-35000107.6W92 D96W92-N94 VanDerWaalsContact C-N 3.31Å; W92-N94 PolarHBondContact O-N 3.33Å; N94-D96 VanDerWaalsContact C-N 3.32Å; N94-D96 PolarHBondContact O-N 3.07Å; N94-D96 VanDerWaalsContact O-N 3.16Å
95T23.1Very low33.3Very low108 Ų108112.3 Ų112.366%0.66361%0.611SS**  trans-69.5103.1154.129.80000104.6T93 P97T93-T95 PolarHBondContact O-N 3.14Å; T93-T95 PolarHBondContact O-OG1 3.01Å; T95-P97 VanDerWaalsContact O-N 3.12Å
96D25.5Very low34.7Very low135 Ų135105.1 Ų105.172%0.72257%0.573SS**  trans-35.1123.1152-102.6-39.5000106.6N94 K98N94-D96 VanDerWaalsContact C-N 3.32Å; N94-D96 PolarHBondContact O-N 3.07Å; N94-D96 VanDerWaalsContact O-N 3.16Å; D96-K98 PolarHBondContact O-N 2.95Å
97P32.2Very low36.3Very low94 Ų94105.9 Ų105.961%0.6156%0.561SS**  trans-53.9112.3-179.421.2-30.4000105.6T95 E99T95-P97 VanDerWaalsContact O-N 3.12Å; P97-E99 PolarHBondContact O-N 3.13Å
98K34.9Very low37.6Very low187 Ų187101.9 Ų101.981%0.81354%0.54SS*.  trans-32.1114.3-178-76.2179.9176177.50106.6D96 D100D96-K98 PolarHBondContact O-N 2.95Å; K98-D100 VanDerWaalsContact C-N 3.28Å; K98-D100 PolarHBondContact O-N 3.32Å
99E38Very low38.9Very low151 Ų15192 Ų9271%0.70649%0.494SS*.  trans-49.499.3-173.1-75.6-168.7133.700108P97 S101P97-E99 PolarHBondContact O-N 3.13Å; E99-S101 PolarHBondContact O-N 2.71Å
100D41.9Very low40.1Very low72 Ų7289.6 Ų89.639%0.38548%0.477SS..  trans-58.6112.7176.7-79.7-30.9000103.6K98 I102 L105 R415K98-D100 VanDerWaalsContact C-N 3.28Å; K98-D100 PolarHBondContact O-N 3.32Å; D100-I102 PolarHBondContact O-N 3.27Å; D100-L105 HydrophobicContact CB-CD2 3.83Å; D100-L105 HydrophobicContact CB-CG 3.99Å; D100-R415 IonicContact OD2-CZ 3.13Å; D100-R415 IonicContact OD2-NH1 3.31Å; D100-R415 PolarHBondContact OD2-NH1 2.99Å
101S51.6Low41Very low61 Ų6188 Ų8843%0.42747%0.473SS..  trans-47.2135.3175170.30000107.7E99 D103 S104 L105E99-S101 PolarHBondContact O-N 2.71Å; S101-D103 PolarHBondContact O-N 2.74Å; S101-D103 PolarHBondContact OG-N 2.95Å; S101-S104 WeakPolarHBondContact O-CA 3.39Å; S101-S104 VanDerWaalsContact O-CB 3.28Å; S101-S104 WeakPolarHBondContact O-CB 3.46Å; S101-S104 PolarHBondContact O-N 3.3Å; S101-L105 PolarHBondContact O-N 2.67Å; S101-L105 VanDerWaalsContact O-N 3.1Å
102I54.3Low41.9Very low44 Ų4485.7 Ų85.723%0.22645%0.453CS..Hα-helixtrans-56.1-25.2-177.2-55.2171.1000110.4D100 L105 S106 P408 I409D100-I102 PolarHBondContact O-N 3.27Å; I102-L105 WeakPolarHBondContact O-CB 3.47Å; I102-L105 PolarHBondContact O-N 3.28Å; I102-S106 PolarHBondContact O-N 3.13Å; I102-P408 HydrophobicContact CG2-CB 3.38Å; I102-I409 HydrophobicContact CD1-CD1 4.21Å
103D52.1Low42.3Very low28 Ų2879.5 Ų79.515%0.1544%0.443CS..Hα-helixtrans-73-36.8174.6-56.4-46.3000112.9S101 L105 S106 N107 R274 R277S101-D103 PolarHBondContact O-N 2.74Å; S101-D103 PolarHBondContact OG-N 2.95Å; D103-L105 VanDerWaalsContact C-N 3.3Å; D103-L105 PolarHBondContact O-N 2.85Å; D103-S106 WeakPolarHBondContact O-CB 3.33Å; D103-S106 PolarHBondContact O-N 3.35Å; D103-N107 PolarHBondContact O-N 3.19Å; D103-R274 IonicContact OD1-CZ 2.93Å; D103-R274 IonicContact OD1-NE 3.62Å; D103-R274 PolarHBondContact OD1-NE 3Å; D103-R274 IonicContact OD1-NH2 2.69Å; D103-R274 PolarHBondContact OD1-NH2 3.47Å; D103-R274 VanDerWaalsContact OD1-NH2 3.11Å; D103-R274 IonicContact OD2-CZ 2.91Å; D103-R274 IonicContact OD2-NE 3.12Å; D103-R274 PolarHBondContact OD2-NE 3.17Å; D103-R274 IonicContact OD2-NH1 3.67Å; D103-R274 IonicContact OD2-NH2 2.78Å; D103-R274 PolarHBondContact OD2-NH2 3.22Å; D103-R277 IonicContact OD1-NH2 3.06Å; D103-R277 PolarHBondContact OD1-NH2 2.75Å
104S55.8Low42.7Very low55 Ų5580.1 Ų80.139%0.38544%0.441SS..Hα-helixtrans-62.3-38.7169.4-56.90000111.4S101 N107 N108S101-S104 WeakPolarHBondContact O-CA 3.39Å; S101-S104 VanDerWaalsContact O-CB 3.28Å; S101-S104 WeakPolarHBondContact O-CB 3.46Å; S101-S104 PolarHBondContact O-N 3.3Å; S104-N107 PolarHBondContact O-N 3.25Å; S104-N108 WeakPolarHBondContact O-CB 3.46Å; S104-N108 VanDerWaalsContact O-CG 3.29Å; S104-N108 PolarHBondContact O-N 3.34Å; S104-N108 PolarHBondContact O-ND2 3.49Å
105L52.1Low42.7Very low2 Ų276.6 Ų76.61%0.0143%0.43CS..Hα-helixtrans-64.4-40.2172.6-63.8177.1000111.6D100 S101 I102 D103 N107 N108 L109 P408 L411D100-L105 HydrophobicContact CB-CD2 3.83Å; D100-L105 HydrophobicContact CB-CG 3.99Å; S101-L105 PolarHBondContact O-N 2.67Å; S101-L105 VanDerWaalsContact O-N 3.1Å; I102-L105 WeakPolarHBondContact O-CB 3.47Å; I102-L105 PolarHBondContact O-N 3.28Å; D103-L105 VanDerWaalsContact C-N 3.3Å; D103-L105 PolarHBondContact O-N 2.85Å; L105-N107 PolarHBondContact O-N 3.4Å; L105-N108 PolarHBondContact O-N 3.48Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.35Å; L105-L109 PolarHBondContact O-N 2.99Å; L105-P408 HydrophobicContact CB-CB 4.25Å; L105-L411 HydrophobicContact CD2-CD2 3.99Å
106S52.7Low43.1Very low3 Ų375.9 Ų75.92%0.02142%0.421CS..Hα-helixtrans-59.3-45.5175.8-165.60000112I102 D103 N108 L109 S110I102-S106 PolarHBondContact O-N 3.13Å; D103-S106 WeakPolarHBondContact O-CB 3.33Å; D103-S106 PolarHBondContact O-N 3.35Å; S106-N108 VanDerWaalsContact C-N 3.34Å; S106-N108 PolarHBondContact O-N 2.92Å; S106-L109 PolarHBondContact O-N 3.49Å; S106-S110 PolarHBondContact O-N 2.94Å
107N54Low43.1Very low82 Ų8275.2 Ų75.244%0.43942%0.424SS..Hα-helixtrans-67.1-33.9175.9-70-11.1000112.5D103 S104 L105 L109 S110D103-N107 PolarHBondContact O-N 3.19Å; S104-N107 PolarHBondContact O-N 3.25Å; L105-N107 PolarHBondContact O-N 3.4Å; N107-L109 VanDerWaalsContact C-N 3.34Å; N107-S110 PolarHBondContact O-OG 2.91Å
108N52.7Low42.7Very low66 Ų6675.3 Ų75.335%0.35343%0.426SS..Hα-helixtrans-71.1-29.3174.8-78.2-28.6000112.8S104 L105 S106S104-N108 WeakPolarHBondContact O-CB 3.46Å; S104-N108 VanDerWaalsContact O-CG 3.29Å; S104-N108 PolarHBondContact O-N 3.34Å; S104-N108 PolarHBondContact O-ND2 3.49Å; L105-N108 PolarHBondContact O-N 3.48Å; S106-N108 VanDerWaalsContact C-N 3.34Å; S106-N108 PolarHBondContact O-N 2.92Å
109L51.8Low42.5Very low0 Ų074.9 Ų74.90%043%0.433CS..Hα-helixtrans-83.3-26.4176.9-71.2172.9000112.7L105 S106 N107 N111 I112 A407 P408 L411 R449 L453L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.35Å; L105-L109 PolarHBondContact O-N 2.99Å; S106-L109 PolarHBondContact O-N 3.49Å; N107-L109 VanDerWaalsContact C-N 3.34Å; L109-N111 PolarHBondContact O-N 3.05Å; L109-I112 HydrophobicContact CD2-CD1 3.94Å; L109-I112 PolarHBondContact O-N 2.76Å; L109-I112 VanDerWaalsContact O-N 3.1Å; L109-A407 HydrophobicContact CD1-CB 3.74Å; L109-P408 HydrophobicContact CD1-CB 4.43Å; L109-P408 HydrophobicContact CD1-CG 3.98Å; L109-L411 HydrophobicContact CD2-CD2 4.41Å; L109-R449 HydrophobicContact CD2-CB 4.18Å; L109-R449 HydrophobicContact CD2-CG 4.26Å; L109-L453 HydrophobicContact CB-CD2 4.39Å; L109-L453 HydrophobicContact CD2-CD1 4.31Å; L109-L453 HydrophobicContact CD2-CD2 4.03Å; L109-L453 HydrophobicContact CD2-CG 3.97Å
110S51.7Low41.9Very low41 Ų4170.2 Ų70.229%0.28743%0.426SS..Hα-helixtrans-63.7-25.5176.857.20000113.3S106 N107 I112S106-S110 PolarHBondContact O-N 2.94Å; N107-S110 PolarHBondContact O-OG 2.91Å; S110-I112 VanDerWaalsContact C-N 3.29Å
111N44.6Very low41.3Very low129 Ų12973.9 Ų73.969%0.6945%0.451SS*.THydrogen-bonded Turntrans-78-12.5176.6-66.6-14.7000113.4L109 S113L109-N111 PolarHBondContact O-N 3.05Å; N111-S113 PolarHBondContact O-N 3.02Å; N111-S113 VanDerWaalsContact O-N 3.14Å
112I40.6Very low40.2Very low53 Ų5376.5 Ų76.527%0.27246%0.464SS..SBendtrans-83.693.6174-56.8174.4000107L109 S110 I114 R449 L453L109-I112 HydrophobicContact CD2-CD1 3.94Å; L109-I112 PolarHBondContact O-N 2.76Å; L109-I112 VanDerWaalsContact O-N 3.1Å; S110-I112 VanDerWaalsContact C-N 3.29Å; I112-I114 PolarHBondContact O-N 2.64Å; I112-I114 VanDerWaalsContact O-N 3.15Å; I112-R449 HydrophobicContact CD1-CB 4.06Å; I112-L453 HydrophobicContact CB-CD1 3.86Å; I112-L453 HydrophobicContact CD1-CD1 3.73Å; I112-L453 HydrophobicContact CG1-CD1 4.39Å; I112-L453 HydrophobicContact CG2-CD1 3.51Å
113S29.9Very low39Very low90 Ų9080 Ų8063%0.62949%0.492SS*.  trans-59.8115.6167.9-61.40000108.5N111 S115N111-S113 PolarHBondContact O-N 3.02Å; N111-S113 VanDerWaalsContact O-N 3.14Å; S113-S115 PolarHBondContact O-N 3.46Å
114I32.8Very low38.1Very low114 Ų11485.4 Ų85.459%0.58552%0.521SS*.  trans-75.576.6157.2-52.6171.6000104.4I112 L116I112-I114 PolarHBondContact O-N 2.64Å; I112-I114 VanDerWaalsContact O-N 3.15Å; I114-L116 PolarHBondContact O-N 3.4Å
115S25.8Very low36.9Very low93 Ų9387.4 Ų87.465%0.6554%0.536SS*.  trans-59.1110.3162.743.20000105.7S113S113-S115 PolarHBondContact O-N 3.46Å
116L30.3Very low35.9Very low93 Ų9394.8 Ų94.849%0.48758%0.575SS.*  trans-48.8128.7150.2-100.780.1000104.8I114 C118I114-L116 PolarHBondContact O-N 3.4Å; L116-C118 VanDerWaalsContact C-N 3.31Å; L116-C118 PolarHBondContact O-N 2.69Å
117P25.3Very low34.9Very low121 Ų121100.7 Ų100.779%0.78660%0.602SS**  trans-55.3103.5175.919.5-27.4000107.7
118C23.8Very low33.7Very low97 Ų97104 Ų10466%0.65561%0.613SS**  trans-77.9125.3159.8-92.80000104.6L116 G120L116-C118 VanDerWaalsContact C-N 3.31Å; L116-C118 PolarHBondContact O-N 2.69Å; C118-G120 PolarHBondContact O-N 3.19Å
119D30.9Very low33.1Very low177 Ų177106.6 Ų106.695%0.94762%0.618SS**SBendtrans-19.191.7178.1-62.5-43.2000113.5
120G26Very low32.4Very low54 Ų54113.3 Ų113.356%0.55766%0.655SS**  trans-138.898.917600000105.5C118 T122C118-G120 PolarHBondContact O-N 3.19Å; G120-T122 PolarHBondContact O-N 2.93Å
121T29Very low31.6Very low148 Ų148119 Ų11991%0.90868%0.682SS**  trans-58.478.2176.148.10000110.7S123T121-S123 PolarHBondContact O-N 3.07Å
122T29Very low31.3Very low116 Ų116117.3 Ų117.371%0.71267%0.671SS**  trans-81.999.315247.50000105.9G120 D124G120-T122 PolarHBondContact O-N 2.93Å; T122-D124 PolarHBondContact O-N 3.05Å
123S28Very low31.3Very low117 Ų117120 Ų12082%0.81869%0.693SS**  trans-63.874168.258.30000109.4T121 S125T121-S123 PolarHBondContact O-N 3.07Å; S123-S125 PolarHBondContact O-N 2.65Å
124D33Very low32.2Very low142 Ų142122 Ų12276%0.75969%0.69SS**  trans-73.9105.9165.3-82.5-13.8000106.6T122 N126T122-D124 PolarHBondContact O-N 3.05Å; D124-N126 PolarHBondContact O-N 2.87Å
125S31.1Very low33.2Very low98 Ų98118.4 Ų118.469%0.68567%0.672SS**  trans-32.1126.7-177.849.30000114.8S123 E127S123-S125 PolarHBondContact O-N 2.65Å; S125-E127 PolarHBondContact O-N 3.29Å
126N30.7Very low34.9Very low156 Ų156116.3 Ų116.383%0.83466%0.657SS**  trans-45.186.4168.1-68.2-30.5000113.2D124 K128D124-N126 PolarHBondContact O-N 2.87Å; N126-K128 PolarHBondContact O-N 2.81Å
127E31.8Very low36.3Very low128 Ų128117.6 Ų117.660%0.59866%0.656SS**  trans-68.1121.6155.3-75.4-175.8168.400107.2S125 Y129S125-E127 PolarHBondContact O-N 3.29Å; E127-Y129 HydrophobicContact CB-CE1 4.24Å; E127-Y129 WeakPolarHBondContact O-CD1 3.43Å; E127-Y129 WeakPolarHBondContact O-CD2 3.49Å; E127-Y129 WeakPolarHBondContact O-CE2 3.16Å; E127-Y129 PolarHBondContact O-N 3.32Å
128K29.9Very low37.8Very low151 Ų151119.4 Ų119.466%0.65766%0.655SS**  trans-59120.9-178.9-74.9177.4176.6176.30109.9N126N126-K128 PolarHBondContact O-N 2.81Å
129Y38.7Very low39.5Very low120 Ų120116.7 Ų116.747%0.47163%0.632SS.*  trans-109.827.8-157.6-86.6-47.1000113.2E127 R532E127-Y129 HydrophobicContact CB-CE1 4.24Å; E127-Y129 WeakPolarHBondContact O-CD1 3.43Å; E127-Y129 WeakPolarHBondContact O-CD2 3.49Å; E127-Y129 WeakPolarHBondContact O-CE2 3.16Å; E127-Y129 PolarHBondContact O-N 3.32Å; Y129-R532 VanDerWaalsContact CB-NH1 3.32Å; Y129-R532 PolarHBondContact O-NH1 2.78Å; Y129-R532 PolarHBondContact O-NH2 3.28Å
130D38.2Very low40.8Very low142 Ų142108.2 Ų108.276%0.75959%0.587SS**  trans-95.2-6.7-159.4-67.7-26.8000117.1
131N34.1Very low42.3Very low161 Ų161107 Ų10786%0.86157%0.569SS**SBendtrans-125.441.1-172.2-77.1-6.7000115.5
132I38.3Very low43.7Very low92 Ų92101.3 Ų101.347%0.47254%0.539SS..SBendtrans-121.4126.1175.3-56.2-179.9000109.5F134 H529I132-F134 PolarHBondContact O-N 3.03Å; I132-H529 WeakPolarHBondContact CD1-CE1 3.48Å
133P41.4Very low45.1Very low110 Ų11097.2 Ų97.271%0.71451%0.512SS*.  trans-60.3135.1-174.221.5-31.2000111.3L135P133-L135 PolarHBondContact O-N 3.5Å
134F48.3Very low46.5Very low132 Ų13292.8 Ų92.858%0.57948%0.478SS*.  trans-68.8110.2178.1-152.5-90.7000108.5I132 C536 Y537I132-F134 PolarHBondContact O-N 3.03Å; F134-C536 HydrophobicContact CZ-CB 4.47Å; F134-Y537 HydrophobicContact CE1-CE1 4.3Å
135L54.3Low47.8Very low39 Ų3989.8 Ų89.820%0.20446%0.459CS..  trans-58138165.9-67.7167.4000109.2P133 E139 I143 H533 Y537P133-L135 PolarHBondContact O-N 3.5Å; L135-E139 HydrophobicContact CD2-CB 4.39Å; L135-I143 HydrophobicContact CD1-CD1 4.12Å; L135-I143 HydrophobicContact CD2-CD1 4.19Å; L135-H533 PolarHBondContact N-CE1 2.99Å; L135-H533 PolarHBondContact N-NE2 2.85Å; L135-Y537 PolarHBondContact O-OH 3.21Å
136S60.3Low49Very low49 Ų4987 Ų8734%0.34344%0.44SS..  trans-66.1159.2169.466.30000110.7E138 E139 Y140S136-E138 PolarHBondContact O-N 3Å; S136-E139 WeakPolarHBondContact CB-OE2 3.38Å; S136-E139 PolarHBondContact N-OE2 3.15Å; S136-E139 PolarHBondContact O-N 2.94Å; S136-E139 WeakPolarHBondContact OG-CB 3.28Å; S136-E139 WeakPolarHBondContact OG-CG 3.48Å; S136-E139 PolarHBondContact OG-N 3.46Å; S136-E139 PolarHBondContact OG-OE2 2.91Å; S136-Y140 WeakPolarHBondContact O-CB 3.16Å; S136-Y140 PolarHBondContact O-N 3.46Å
137Y59.2Low50.2Low119 Ų11979.9 Ų79.947%0.46740%0.402SS..Hα-helixtrans-62.4-36.7-179.2179.8-101.3000111.3T141 Y537Y137-T141 HydrophobicContact CD1-CG2 4.12Å; Y137-T141 HydrophobicContact CD2-CG2 4.33Å; Y137-T141 HydrophobicContact CE1-CG2 3.72Å; Y137-T141 HydrophobicContact CE2-CG2 3.94Å; Y137-T141 HydrophobicContact CG-CG2 4.42Å; Y137-T141 WeakPolarHBondContact O-CB 3.38Å; Y137-T141 VanDerWaalsContact O-CG2 3.28Å; Y137-T141 WeakPolarHBondContact O-CG2 3.41Å; Y137-T141 PolarHBondContact O-N 3.01Å; Y137-T141 PolarHBondContact O-OG1 3.38Å; Y137-Y537 VanDerWaalsContact CA-OH 3.26Å; Y137-Y537 WeakPolarHBondContact CA-OH 3.35Å; Y137-Y537 AromaticContact CD2-CD1 3.83Å; Y137-Y537 HydrophobicContact CD2-CD1 3.83Å; Y137-Y537 HydrophobicContact CD2-CD2 4.06Å; Y137-Y537 AromaticContact CD2-CE1 3.83Å; Y137-Y537 HydrophobicContact CD2-CE1 3.83Å; Y137-Y537 HydrophobicContact CD2-CE2 4.07Å; Y137-Y537 AromaticContact CD2-CG 3.98Å; Y137-Y537 HydrophobicContact CD2-CG 3.98Å; Y137-Y537 AromaticContact CD2-CZ 3.97Å; Y137-Y537 HydrophobicContact CE2-CG 4.47Å; Y137-Y537 HydrophobicContact CG-CE1 4.32Å; Y137-Y537 PolarHBondContact N-OH 3.01Å
138E58.4Low51.4Low160 Ų16075.9 Ų75.975%0.74839%0.385SS*.Hα-helixtrans-65.4-41.6175.5-67179.4-176.500112S136 T141 G142S136-E138 PolarHBondContact O-N 3Å; E138-T141 WeakPolarHBondContact CA-OG1 3.45Å; E138-T141 PolarHBondContact O-OG1 3.43Å; E138-G142 WeakPolarHBondContact O-CA 3.49Å; E138-G142 PolarHBondContact O-N 3.34Å
139E58.8Low52.9Low39 Ų3969.4 Ų69.418%0.18236%0.357CS..Hα-helixtrans-69.2-42.8175.6-72.8166.7139.500112L135 S136 G142 I143 P564L135-E139 HydrophobicContact CD2-CB 4.39Å; S136-E139 WeakPolarHBondContact CB-OE2 3.38Å; S136-E139 PolarHBondContact N-OE2 3.15Å; S136-E139 PolarHBondContact O-N 2.94Å; S136-E139 WeakPolarHBondContact OG-CB 3.28Å; S136-E139 WeakPolarHBondContact OG-CG 3.48Å; S136-E139 PolarHBondContact OG-N 3.46Å; S136-E139 PolarHBondContact OG-OE2 2.91Å; E139-G142 PolarHBondContact O-N 3.17Å; E139-I143 WeakPolarHBondContact O-CB 3.47Å; E139-I143 WeakPolarHBondContact O-CG1 3.33Å; E139-I143 PolarHBondContact O-N 2.82Å; E139-P564 WeakPolarHBondContact OE1-CD 3.43Å; E139-P564 WeakPolarHBondContact OE1-CG 3.48Å
140Y59Low53.7Low0 Ų065 Ų650%034%0.344CS..Hα-helixtrans-59.4-48.5175.5166.1-100.3000111.5S136 I143 R144 S152 L530 H533 E534 Y537S136-Y140 WeakPolarHBondContact O-CB 3.16Å; S136-Y140 PolarHBondContact O-N 3.46Å; Y140-I143 PolarHBondContact O-N 2.98Å; Y140-R144 HydrophobicContact CE2-CG 4.32Å; Y140-R144 VanDerWaalsContact CZ-CD 3.49Å; Y140-R144 WeakPolarHBondContact O-CG 3.27Å; Y140-R144 PolarHBondContact O-N 3.07Å; Y140-R144 PolarHBondContact OH-NH1 3.43Å; Y140-S152 WeakPolarHBondContact OH-CB 3.32Å; Y140-S152 PolarHBondContact OH-OG 3.33Å; Y140-L530 HydrophobicContact CD2-CD2 3.73Å; Y140-L530 HydrophobicContact CE2-CB 4.33Å; Y140-L530 HydrophobicContact CE2-CD2 3.86Å; Y140-L530 VanDerWaalsContact CE2-O 3.26Å; Y140-L530 WeakPolarHBondContact CE2-O 3.32Å; Y140-H533 HydrophobicContact CD2-CB 3.55Å; Y140-H533 HydrophobicContact CE2-CB 3.67Å; Y140-H533 HydrophobicContact CG-CB 4.33Å; Y140-E534 WeakPolarHBondContact OH-CA 3.35Å; Y140-E534 WeakPolarHBondContact OH-CB 3.4Å; Y140-Y537 AromaticContact CD1-CD2 3.99Å; Y140-Y537 HydrophobicContact CD1-CD2 3.99Å; Y140-Y537 AromaticContact CD1-CE2 3.93Å; Y140-Y537 HydrophobicContact CD1-CE2 3.93Å; Y140-Y537 HydrophobicContact CE1-CD2 4.17Å; Y140-Y537 HydrophobicContact CG-CD2 4.36Å; Y140-Y537 AromaticContact CG-CE2 3.96Å; Y140-Y537 HydrophobicContact CG-CE2 3.96Å
141T57.2Low54.6Low29 Ų2960.8 Ų60.818%0.17832%0.324CS..Hα-helixtrans-66.1-41176.750.70000111.4Y137 E138 R144 Q145Y137-T141 HydrophobicContact CD1-CG2 4.12Å; Y137-T141 HydrophobicContact CD2-CG2 4.33Å; Y137-T141 HydrophobicContact CE1-CG2 3.72Å; Y137-T141 HydrophobicContact CE2-CG2 3.94Å; Y137-T141 HydrophobicContact CG-CG2 4.42Å; Y137-T141 WeakPolarHBondContact O-CB 3.38Å; Y137-T141 VanDerWaalsContact O-CG2 3.28Å; Y137-T141 WeakPolarHBondContact O-CG2 3.41Å; Y137-T141 PolarHBondContact O-N 3.01Å; Y137-T141 PolarHBondContact O-OG1 3.38Å; E138-T141 WeakPolarHBondContact CA-OG1 3.45Å; E138-T141 PolarHBondContact O-OG1 3.43Å; T141-R144 PolarHBondContact O-N 3.18Å; T141-Q145 WeakPolarHBondContact O-CB 3.37Å; T141-Q145 VanDerWaalsContact O-CG 3.22Å; T141-Q145 WeakPolarHBondContact O-CG 3.43Å; T141-Q145 PolarHBondContact O-N 2.87Å
142G58.6Low55.4Low27 Ų2754 Ų5428%0.27829%0.29SS..Hα-helixtrans-61.9-42.2175.200000113.1E138 E139 Q145 S146E138-G142 WeakPolarHBondContact O-CA 3.49Å; E138-G142 PolarHBondContact O-N 3.34Å; E139-G142 PolarHBondContact O-N 3.17Å; G142-Q145 PolarHBondContact O-N 3.49Å; G142-S146 WeakPolarHBondContact O-CB 3.36Å; G142-S146 PolarHBondContact O-N 2.71Å
143I57.1Low56.2Low30 Ų3054.6 Ų54.615%0.15429%0.287CS..Hα-helixtrans-63.4-49.1173.6-68.5164.8000109.4L135 E139 Y140 Q145 S146 L147 L530 F565L135-I143 HydrophobicContact CD1-CD1 4.12Å; L135-I143 HydrophobicContact CD2-CD1 4.19Å; E139-I143 WeakPolarHBondContact O-CB 3.47Å; E139-I143 WeakPolarHBondContact O-CG1 3.33Å; E139-I143 PolarHBondContact O-N 2.82Å; Y140-I143 PolarHBondContact O-N 2.98Å; I143-Q145 VanDerWaalsContact C-N 3.32Å; I143-Q145 PolarHBondContact O-N 2.66Å; I143-S146 PolarHBondContact O-N 3.25Å; I143-S146 PolarHBondContact O-OG 3.43Å; I143-L147 HydrophobicContact CG2-CD1 3.76Å; I143-L147 HydrophobicContact CG2-CG 4.35Å; I143-L147 WeakPolarHBondContact O-CB 3.45Å; I143-L147 WeakPolarHBondContact O-CG 3.38Å; I143-L147 PolarHBondContact O-N 3.24Å; I143-L530 HydrophobicContact CB-CD2 4.45Å; I143-L530 HydrophobicContact CG2-CD1 4.26Å; I143-L530 HydrophobicContact CG2-CD2 3.96Å; I143-F565 HydrophobicContact CD1-CZ 4.37Å
144R58.8Low56.8Low24 Ų2451.8 Ų51.89%0.09127%0.265CS..Hα-helixtrans-57.7-43.4176.6-73.6-172.785.9107.9-11.7112.8Y140 T141 L147 N148 L149 P150 L530 E534Y140-R144 HydrophobicContact CE2-CG 4.32Å; Y140-R144 VanDerWaalsContact CZ-CD 3.49Å; Y140-R144 WeakPolarHBondContact O-CG 3.27Å; Y140-R144 PolarHBondContact O-N 3.07Å; Y140-R144 PolarHBondContact OH-NH1 3.43Å; T141-R144 PolarHBondContact O-N 3.18Å; R144-L147 CarbonylContact O-C 3.59Å; R144-L147 PolarHBondContact O-N 3.04Å; R144-N148 PolarHBondContact O-N 3.42Å; R144-L149 HydrophobicContact CB-CB 4.27Å; R144-L149 HydrophobicContact CG-CB 4.43Å; R144-L149 HydrophobicContact CG-CD1 4.3Å; R144-L149 PolarHBondContact O-N 3.4Å; R144-P150 VanDerWaalsContact CZ-O 3.29Å; R144-P150 PolarHBondContact NE-O 3.22Å; R144-P150 VanDerWaalsContact NE-O 3.07Å; R144-P150 PolarHBondContact NH2-O 3.21Å; R144-L530 HydrophobicContact CG-CD2 4.31Å; R144-E534 IonicContact CZ-OE2 3.8Å; R144-E534 IonicContact NH1-OE2 3.49Å; R144-E534 PolarHBondContact NH1-OE2 2.84Å; R144-E534 IonicContact NH2-OE1 3.66Å; R144-E534 IonicContact NH2-OE2 3.07Å; R144-E534 PolarHBondContact NH2-OE2 3.1Å
145Q60.4Low57.3Low79 Ų7945.7 Ų45.737%0.36924%0.239SC..Hα-helixtrans-61.2-46.7175.8-75.8172.41.400111.3T141 G142 I143 L147 N148T141-Q145 WeakPolarHBondContact O-CB 3.37Å; T141-Q145 VanDerWaalsContact O-CG 3.22Å; T141-Q145 WeakPolarHBondContact O-CG 3.43Å; T141-Q145 PolarHBondContact O-N 2.87Å; G142-Q145 PolarHBondContact O-N 3.49Å; I143-Q145 VanDerWaalsContact C-N 3.32Å; I143-Q145 PolarHBondContact O-N 2.66Å; Q145-L147 PolarHBondContact O-N 3.24Å; Q145-N148 PolarHBondContact O-N 3.11Å; Q145-N148 PolarHBondContact O-OD1 3.35Å
146S56.1Low57.6Low41 Ų4148.4 Ų48.429%0.28726%0.261SS..Hα-helixtrans-60.2-29.6177.778.70000112.7G142 I143 R463G142-S146 WeakPolarHBondContact O-CB 3.36Å; G142-S146 PolarHBondContact O-N 2.71Å; I143-S146 PolarHBondContact O-N 3.25Å; I143-S146 PolarHBondContact O-OG 3.43Å; S146-R463 PolarHBondContact O-NH1 3.29Å
147L56.1Low58.2Low6 Ų649.6 Ų49.63%0.03126%0.263CS..THydrogen-bonded Turntrans-91.4-1177.2-60177.6000113.7I143 R144 Q145 L149 R460 L464 L530I143-L147 HydrophobicContact CG2-CD1 3.76Å; I143-L147 HydrophobicContact CG2-CG 4.35Å; I143-L147 WeakPolarHBondContact O-CB 3.45Å; I143-L147 WeakPolarHBondContact O-CG 3.38Å; I143-L147 PolarHBondContact O-N 3.24Å; R144-L147 CarbonylContact O-C 3.59Å; R144-L147 PolarHBondContact O-N 3.04Å; Q145-L147 PolarHBondContact O-N 3.24Å; L147-L149 HydrophobicContact CB-CD1 4.04Å; L147-L149 HydrophobicContact CB-CG 3.82Å; L147-L149 HydrophobicContact CD1-CD1 3.96Å; L147-L149 PolarHBondContact O-N 2.82Å; L147-L149 VanDerWaalsContact O-N 3.13Å; L147-R460 WeakPolarHBondContact O-CD 3.18Å; L147-R460 VanDerWaalsContact O-CZ 3.29Å; L147-R460 PolarHBondContact O-NE 2.87Å; L147-R460 PolarHBondContact O-NH1 2.86Å; L147-L464 HydrophobicContact CD1-CD2 3.76Å; L147-L464 HydrophobicContact CD1-CG 4.49Å; L147-L464 HydrophobicContact CD2-CD1 3.96Å; L147-L464 HydrophobicContact CD2-CD2 3.37Å; L147-L464 HydrophobicContact CD2-CG 3.37Å; L147-L464 HydrophobicContact CG-CD2 4.16Å; L147-L530 HydrophobicContact CD1-CD1 3.84Å
148N57.2Low59.2Low44 Ų4444.8 Ų44.824%0.23525%0.245CC..THydrogen-bonded Turntrans46.440-173.5-75.8-23000112.6R144 Q145 H291 R460R144-N148 PolarHBondContact O-N 3.42Å; Q145-N148 PolarHBondContact O-N 3.11Å; Q145-N148 PolarHBondContact O-OD1 3.35Å; N148-H291 PolarHBondContact OD1-ND1 3.02Å; N148-R460 PolarHBondContact O-NH1 3.19Å; N148-R460 PolarHBondContact O-NH2 2.93Å
149L60.1Low60.5Low14 Ų1438.1 Ų38.17%0.07321%0.214CC..PPolyproline II helixtrans-80.2142.5170.2-66.1174.1000108.4R144 L147 M403 V454 L530R144-L149 HydrophobicContact CB-CB 4.27Å; R144-L149 HydrophobicContact CG-CB 4.43Å; R144-L149 HydrophobicContact CG-CD1 4.3Å; R144-L149 PolarHBondContact O-N 3.4Å; L147-L149 HydrophobicContact CB-CD1 4.04Å; L147-L149 HydrophobicContact CB-CG 3.82Å; L147-L149 HydrophobicContact CD1-CD1 3.96Å; L147-L149 PolarHBondContact O-N 2.82Å; L147-L149 VanDerWaalsContact O-N 3.13Å; L149-M403 HydrophobicContact CD2-CE 4.41Å; L149-M403 HydrophobicContact CD2-SD 3.94Å; L149-V454 HydrophobicContact CD2-CG1 4.19Å; L149-L530 HydrophobicContact CD1-CD1 3.79Å
150P56.5Low62Low29 Ų2936.7 Ų36.719%0.18821%0.207CC..PPolyproline II helixtrans-58150.3173.824.3-32.7000110.5R144 D292 M403R144-P150 VanDerWaalsContact CZ-O 3.29Å; R144-P150 PolarHBondContact NE-O 3.22Å; R144-P150 VanDerWaalsContact NE-O 3.07Å; R144-P150 PolarHBondContact NH2-O 3.21Å; P150-D292 WeakPolarHBondContact CA-OD1 3.28Å; P150-M403 VanDerWaalsContact CD-SD 3.58Å
151C55.6Low63.6Low52 Ų5236.7 Ų36.735%0.35121%0.207SC..PPolyproline II helixtrans-56.5141172.3-89.70000110.5Y153 D292C151-Y153 VanDerWaalsContact C-N 3.35Å; C151-D292 WeakPolarHBondContact CB-OD2 3.4Å; C151-D292 PolarHBondContact N-OD1 3.23Å; C151-D292 PolarHBondContact SG-OD2 3.43Å
152S51.7Low65.3Low20 Ų2035.3 Ų35.314%0.1420%0.198CC..SBendtrans-70.7-34175.442.70000112.7Y140 E534Y140-S152 WeakPolarHBondContact OH-CB 3.32Å; Y140-S152 PolarHBondContact OH-OG 3.33Å; S152-E534 WeakPolarHBondContact CA-OE1 3.39Å; S152-E534 VanDerWaalsContact CB-CG 3.47Å; S152-E534 WeakPolarHBondContact CB-OE1 3.37Å
153Y55.1Low67Low104 Ų10434.1 Ų34.141%0.40819%0.185SC..SBendtrans-90.3114.5172.9163.5-108000108.9C151 S155 S156C151-Y153 VanDerWaalsContact C-N 3.35Å; Y153-S155 VanDerWaalsContact CZ-CA 3.45Å; Y153-S155 PolarHBondContact O-N 3.29Å; Y153-S155 VanDerWaalsContact O-N 3.12Å; Y153-S156 PolarHBondContact OH-N 2.92Å
154I54.7Low68.5Low50 Ų5033.1 Ų33.126%0.25618%0.181SC..  trans-70.6107.2163.1-66.3172.8000106.5S156 F158 L391I154-S156 PolarHBondContact O-N 3.3Å; I154-F158 HydrophobicContact CG2-CE1 4.39Å; I154-F158 HydrophobicContact CG2-CE2 3.36Å; I154-F158 HydrophobicContact CG2-CZ 3.21Å; I154-L391 HydrophobicContact CD1-CD1 3.59Å
155S57.2Low69.9Low4 Ų432.2 Ų32.23%0.02818%0.177CC..  trans-54.2136.7171.9-170.70000111.6Y153 L157 F158 A246 T248Y153-S155 VanDerWaalsContact CZ-CA 3.45Å; Y153-S155 PolarHBondContact O-N 3.29Å; Y153-S155 VanDerWaalsContact O-N 3.12Å; S155-L157 PolarHBondContact O-N 3Å; S155-L157 WeakPolarHBondContact OG-CB 3.46Å; S155-L157 PolarHBondContact OG-N 2.71Å; S155-L157 VanDerWaalsContact OG-N 3.12Å; S155-F158 VanDerWaalsContact O-CD2 3.29Å; S155-F158 WeakPolarHBondContact O-CD2 3.48Å; S155-F158 WeakPolarHBondContact O-CE2 3.33Å; S155-A246 WeakPolarHBondContact CB-O 3.49Å; S155-A246 PolarHBondContact OG-O 3.29Å; S155-T248 WeakPolarHBondContact CB-OG1 3.36Å
156S61.5Low71Confident96 Ų9630.7 Ų30.767%0.67117%0.168SC*.SBendtrans-65.1-17.1167.854.10000111.4Y153 I154 F158Y153-S156 PolarHBondContact OH-N 2.92Å; I154-S156 PolarHBondContact O-N 3.3Å; S156-F158 PolarHBondContact O-N 3.26Å
157L72.7Confident72.2Confident75 Ų7531.7 Ų31.739%0.39317%0.168SC..  trans-89.482.4177.7-59.8170.9000110.3S155 T248S155-L157 PolarHBondContact O-N 3Å; S155-L157 WeakPolarHBondContact OG-CB 3.46Å; S155-L157 PolarHBondContact OG-N 2.71Å; S155-L157 VanDerWaalsContact OG-N 3.12Å; L157-T248 PolarHBondContact O-N 3.01Å
158F80.2Confident73.3Confident18 Ų1832.8 Ų32.88%0.07918%0.175CC..EExtended strand (participates in β ladder)trans-84.4129.6168.8-80.1-90.3000111.1I154 S155 S156 W160 T248 C250 Y294 S390 L394I154-F158 HydrophobicContact CG2-CE1 4.39Å; I154-F158 HydrophobicContact CG2-CE2 3.36Å; I154-F158 HydrophobicContact CG2-CZ 3.21Å; S155-F158 VanDerWaalsContact O-CD2 3.29Å; S155-F158 WeakPolarHBondContact O-CD2 3.48Å; S155-F158 WeakPolarHBondContact O-CE2 3.33Å; S156-F158 PolarHBondContact O-N 3.26Å; F158-W160 HydrophobicContact CB-CD2 4.2Å; F158-W160 VanDerWaalsContact CB-CE2 3.5Å; F158-W160 HydrophobicContact CB-CZ2 3.7Å; F158-W160 HydrophobicContact CD1-CH2 4.32Å; F158-W160 HydrophobicContact CD1-CZ2 4.26Å; F158-W160 HydrophobicContact CD2-CZ2 4.38Å; F158-W160 HydrophobicContact CG-CH2 4.36Å; F158-W160 AromaticContact CG-CZ2 3.87Å; F158-W160 HydrophobicContact CG-CZ2 3.87Å; F158-T248 WeakPolarHBondContact CA-O 3.41Å; F158-T248 HydrophobicContact CD1-CG2 3.77Å; F158-T248 HydrophobicContact CE1-CG2 3.39Å; F158-T248 HydrophobicContact CZ-CG2 4.09Å; F158-C250 HydrophobicContact CD1-CB 4.13Å; F158-Y294 HydrophobicContact CE1-CD2 4.4Å; F158-S390 WeakPolarHBondContact CD2-OG 3.28Å; F158-L394 HydrophobicContact CE1-CD1 3.75Å; F158-L394 HydrophobicContact CZ-CD1 3.58Å
159Q86.4Confident74.1Confident20 Ų2031.4 Ų31.49%0.09317%0.171CC..EExtended strand (participates in β ladder)trans-95.6121161.6-168.764.334.400108.7F161 D178 S180 T248 Y249 C250Q159-F161 HydrophobicContact CB-CE2 3.99Å; Q159-F161 HydrophobicContact CG-CD2 4.3Å; Q159-F161 HydrophobicContact CG-CE2 3.35Å; Q159-F161 HydrophobicContact CG-CZ 3.5Å; Q159-F161 VanDerWaalsContact CG-CZ 3.5Å; Q159-D178 PolarHBondContact NE2-OD1 3.49Å; Q159-S180 PolarHBondContact NE2-OG 3.2Å; Q159-T248 PolarHBondContact N-O 3.21Å; Q159-Y249 HydrophobicContact CB-CD1 3.97Å; Q159-Y249 HydrophobicContact CB-CE1 4.35Å; Q159-C250 PolarHBondContact O-N 3.37Å
160W90.3Very high75.2Confident9 Ų935.7 Ų35.73%0.03419%0.194CC..EExtended strand (participates in β ladder)trans-101.3135.6-174.9-5796.8000110.9F158 C179 C250 I252 F365 L384 S390 Y393F158-W160 HydrophobicContact CB-CD2 4.2Å; F158-W160 VanDerWaalsContact CB-CE2 3.5Å; F158-W160 HydrophobicContact CB-CZ2 3.7Å; F158-W160 HydrophobicContact CD1-CH2 4.32Å; F158-W160 HydrophobicContact CD1-CZ2 4.26Å; F158-W160 HydrophobicContact CD2-CZ2 4.38Å; F158-W160 HydrophobicContact CG-CH2 4.36Å; F158-W160 AromaticContact CG-CZ2 3.87Å; F158-W160 HydrophobicContact CG-CZ2 3.87Å; W160-C179 HydrophobicContact CB-CB 3.8Å; W160-C179 VanDerWaalsContact O-CB 3.24Å; W160-C179 WeakPolarHBondContact O-CB 3.35Å; W160-C179 PolarHBondContact O-N 2.86Å; W160-C179 PolarHBondContact O-SG 3.24Å; W160-C250 HydrophobicContact CD2-CB 4.38Å; W160-C250 HydrophobicContact CE3-CB 3.57Å; W160-C250 HydrophobicContact CZ3-CB 3.76Å; W160-C250 WeakPolarHBondContact CZ3-SG 3.23Å; W160-I252 HydrophobicContact CE3-CD1 3.6Å; W160-I252 HydrophobicContact CE3-CG1 4.31Å; W160-I252 HydrophobicContact CZ3-CD1 4.04Å; W160-F365 HydrophobicContact CB-CE1 4.09Å; W160-F365 HydrophobicContact CB-CE2 4.3Å; W160-F365 HydrophobicContact CB-CZ 3.58Å; W160-F365 AromaticContact CD1-CE1 3.91Å; W160-F365 AromaticContact CD2-CE1 3.86Å; W160-F365 HydrophobicContact CD2-CE1 3.86Å; W160-F365 AromaticContact CD2-CZ 3.7Å; W160-F365 HydrophobicContact CD2-CZ 3.7Å; W160-F365 HydrophobicContact CE3-CE1 4.42Å; W160-F365 AromaticContact CE3-CZ 3.93Å; W160-F365 HydrophobicContact CE3-CZ 3.93Å; W160-F365 AromaticContact CG-CE1 3.7Å; W160-F365 HydrophobicContact CG-CE1 3.7Å; W160-F365 AromaticContact CG-CZ 3.57Å; W160-F365 HydrophobicContact CG-CZ 3.57Å; W160-L384 HydrophobicContact CH2-CD1 3.87Å; W160-L384 HydrophobicContact CH2-CD2 4.46Å; W160-L384 HydrophobicContact CH2-CG 4.48Å; W160-L384 HydrophobicContact CZ2-CD1 3.91Å; W160-L384 HydrophobicContact CZ2-CG 4.29Å; W160-S390 WeakPolarHBondContact CZ2-OG 3.38Å; W160-Y393 HydrophobicContact CH2-CD1 4.03Å; W160-Y393 AromaticContact CZ3-CD1 3.89Å; W160-Y393 HydrophobicContact CZ3-CD1 3.89Å; W160-Y393 AromaticContact CZ3-CE1 3.96Å; W160-Y393 HydrophobicContact CZ3-CE1 3.96Å
161F93.2Very high76.4Confident0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-130.2146173.8-61.9-88.5000109.2Q159 V176 L177 D178 F231 I232 Y249 C250 L251 I252Q159-F161 HydrophobicContact CB-CE2 3.99Å; Q159-F161 HydrophobicContact CG-CD2 4.3Å; Q159-F161 HydrophobicContact CG-CE2 3.35Å; Q159-F161 HydrophobicContact CG-CZ 3.5Å; Q159-F161 VanDerWaalsContact CG-CZ 3.5Å; F161-V176 HydrophobicContact CB-CG1 4.21Å; F161-V176 HydrophobicContact CD1-CG1 4.4Å; F161-L177 CarbonylContact C-O 3.59Å; F161-L177 WeakPolarHBondContact CA-O 3.36Å; F161-D178 HydrophobicContact CD1-CB 4.01Å; F161-D178 HydrophobicContact CE1-CB 3.76Å; F161-F231 HydrophobicContact CD1-CD1 4.34Å; F161-F231 AromaticContact CD1-CE1 3.78Å; F161-F231 HydrophobicContact CD1-CE1 3.78Å; F161-F231 HydrophobicContact CE1-CD1 4.17Å; F161-F231 AromaticContact CE1-CE1 3.78Å; F161-F231 HydrophobicContact CE1-CE1 3.78Å; F161-I232 HydrophobicContact CD1-CG2 4.02Å; F161-I232 HydrophobicContact CD2-CB 4.26Å; F161-I232 HydrophobicContact CD2-CG2 3.86Å; F161-I232 HydrophobicContact CE1-CB 4.39Å; F161-I232 HydrophobicContact CE1-CG2 3.98Å; F161-I232 HydrophobicContact CE2-CB 3.76Å; F161-I232 HydrophobicContact CE2-CG2 3.81Å; F161-I232 HydrophobicContact CG-CG2 3.96Å; F161-I232 HydrophobicContact CZ-CB 3.83Å; F161-I232 HydrophobicContact CZ-CG2 3.88Å; F161-Y249 HydrophobicContact CE2-CD1 4.02Å; F161-C250 PolarHBondContact N-O 3.04Å; F161-L251 HydrophobicContact CB-CG 4.18Å; F161-L251 CarbonylContact O-C 3.52Å; F161-L251 WeakPolarHBondContact O-CA 3.48Å; F161-I252 PolarHBondContact O-N 3.02Å
162T91.8Very high77.9Confident0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-105.7143.4165.651.70000109.5V176 L177 I252 C357 L360T162-V176 CarbonylContact O-C 3.48Å; T162-V176 VanDerWaalsContact O-CA 3.25Å; T162-V176 WeakPolarHBondContact O-CA 3.46Å; T162-L177 PolarHBondContact N-O 2.92Å; T162-L177 PolarHBondContact O-N 3.47Å; T162-L177 WeakPolarHBondContact OG1-CB 3.33Å; T162-I252 CarbonylContact C-O 3.59Å; T162-I252 WeakPolarHBondContact CA-O 3.41Å; T162-I252 HydrophobicContact CG2-CB 4.42Å; T162-C357 WeakPolarHBondContact OG1-CB 3.29Å; T162-C357 PolarHBondContact OG1-O 2.74Å; T162-L360 HydrophobicContact CG2-CB 4.25Å; T162-L360 HydrophobicContact CG2-CD2 3.92Å; T162-L360 HydrophobicContact CG2-CG 3.92Å
163F93.7Very high79.7Confident2 Ų233 Ų331%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-141.7158.4177.279.9-77.7000111.9F165 L174 S175 V176 L251 I252 C253 D268 L272F163-F165 HydrophobicContact CD2-CD2 4.34Å; F163-F165 HydrophobicContact CD2-CE2 4.18Å; F163-F165 HydrophobicContact CE2-CD2 4.2Å; F163-F165 HydrophobicContact CE2-CE2 4Å; F163-L174 HydrophobicContact CD2-CD1 4.31Å; F163-S175 CarbonylContact C-O 3.59Å; F163-S175 WeakPolarHBondContact CA-O 3.47Å; F163-S175 WeakPolarHBondContact CB-O 3.46Å; F163-V176 HydrophobicContact CB-CG1 4.32Å; F163-V176 HydrophobicContact CB-CG2 4.21Å; F163-L251 HydrophobicContact CD1-CB 3.67Å; F163-L251 HydrophobicContact CD1-CD2 4.08Å; F163-L251 HydrophobicContact CD1-CG 4.35Å; F163-L251 HydrophobicContact CE1-CB 3.82Å; F163-L251 HydrophobicContact CG-CD2 4.31Å; F163-I252 PolarHBondContact N-O 2.64Å; F163-C253 HydrophobicContact CD1-CB 4.08Å; F163-C253 HydrophobicContact CE1-CB 3.63Å; F163-C253 HydrophobicContact CE2-CB 4.1Å; F163-C253 HydrophobicContact CZ-CB 3.64Å; F163-C253 WeakPolarHBondContact O-CA 3.17Å; F163-C253 WeakPolarHBondContact O-CB 3.34Å; F163-D268 HydrophobicContact CE2-CB 3.96Å; F163-D268 HydrophobicContact CZ-CB 4.41Å; F163-L272 HydrophobicContact CE1-CD2 4.42Å; F163-L272 HydrophobicContact CE2-CB 4.18Å; F163-L272 HydrophobicContact CE2-CD2 3.92Å; F163-L272 HydrophobicContact CZ-CB 4.5Å; F163-L272 HydrophobicContact CZ-CD2 3.81Å
164S89Confident81.4Confident9 Ų928.1 Ų28.16%0.06315%0.153CC..EExtended strand (participates in β ladder)trans-151.8151.717357.70000112.7S175 D268S164-S175 PolarHBondContact N-O 3.24Å; S164-S175 PolarHBondContact O-N 3.26Å; S164-S175 PolarHBondContact OG-OG 2.96Å; S164-D268 VanDerWaalsContact CA-OD2 3.22Å; S164-D268 WeakPolarHBondContact CA-OD2 3.45Å
165F87.7Confident83.2Confident4 Ų425.7 Ų25.72%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-106.2131.8168.8-76.6-91.4000110.5F163 F167 V172 Y173 L174 W195 F196 D268 Y271 L272 L275F163-F165 HydrophobicContact CD2-CD2 4.34Å; F163-F165 HydrophobicContact CD2-CE2 4.18Å; F163-F165 HydrophobicContact CE2-CD2 4.2Å; F163-F165 HydrophobicContact CE2-CE2 4Å; F165-F167 HydrophobicContact CB-CE2 4.27Å; F165-V172 HydrophobicContact CD1-CG2 3.82Å; F165-Y173 CarbonylContact C-O 3.58Å; F165-Y173 WeakPolarHBondContact CA-O 3.47Å; F165-L174 HydrophobicContact CD1-CB 4.48Å; F165-L174 HydrophobicContact CD2-CD1 4.4Å; F165-L174 HydrophobicContact CE1-CB 4.18Å; F165-L174 HydrophobicContact CE1-CD1 4.18Å; F165-L174 HydrophobicContact CE2-CD1 3.95Å; F165-L174 HydrophobicContact CZ-CD1 3.84Å; F165-W195 HydrophobicContact CD1-CZ3 4.42Å; F165-W195 HydrophobicContact CE1-CE3 4.2Å; F165-W195 AromaticContact CE1-CZ3 3.88Å; F165-W195 HydrophobicContact CE1-CZ3 3.88Å; F165-F196 HydrophobicContact CD1-CZ 4.43Å; F165-F196 HydrophobicContact CE1-CZ 4.16Å; F165-D268 HydrophobicContact CD2-CB 4.24Å; F165-D268 PolarHBondContact N-OD2 3.11Å; F165-D268 VanDerWaalsContact N-OD2 3.11Å; F165-Y271 HydrophobicContact CB-CD2 4.31Å; F165-Y271 HydrophobicContact CB-CG 4.45Å; F165-Y271 HydrophobicContact CG-CG 4.44Å; F165-L272 HydrophobicContact CE2-CB 3.92Å; F165-L272 HydrophobicContact CE2-CD1 4.34Å; F165-L272 HydrophobicContact CZ-CB 4.43Å; F165-L272 HydrophobicContact CZ-CD1 4.28Å; F165-L275 HydrophobicContact CE1-CD2 4.34Å; F165-L275 HydrophobicContact CZ-CD2 4.1Å
166R84.4Confident84.9Confident47 Ų4725.6 Ų25.618%0.17714%0.14CC..EExtended strand (participates in β ladder)trans-131.4135.4179.2-62.7-63.9-174179.619111.7V172 Y173 D336 F353 E356R166-V172 CarbonylContact O-C 3.59Å; R166-V172 WeakPolarHBondContact O-CA 3.44Å; R166-Y173 PolarHBondContact N-O 3.15Å; R166-Y173 PolarHBondContact O-N 3.09Å; R166-D336 IonicContact CZ-OD1 3.43Å; R166-D336 IonicContact CZ-OD2 3.17Å; R166-D336 IonicContact NE-OD2 2.95Å; R166-D336 IonicContact NH1-OD2 4Å; R166-D336 PolarHBondContact NH1-OD2 3.45Å; R166-D336 IonicContact NH2-OD1 3.3Å; R166-D336 IonicContact NH2-OD2 2.72Å; R166-D336 PolarHBondContact NH2-OD2 3.15Å; R166-F353 HydrophobicContact CB-CD1 3.94Å; R166-F353 HydrophobicContact CB-CD2 4.41Å; R166-F353 HydrophobicContact CB-CE1 3.59Å; R166-F353 HydrophobicContact CB-CE2 4.09Å; R166-F353 HydrophobicContact CB-CG 4.34Å; R166-F353 HydrophobicContact CB-CZ 3.67Å; R166-F353 HydrophobicContact CG-CD1 3.61Å; R166-F353 HydrophobicContact CG-CE1 3.68Å; R166-F353 HydrophobicContact CG-CG 4.16Å; R166-F353 HydrophobicContact CG-CZ 4.28Å; R166-E356 IonicContact CZ-OE2 2.78Å; R166-E356 IonicContact NE-OE2 3.3Å; R166-E356 PolarHBondContact NE-OE2 3.32Å; R166-E356 IonicContact NH2-OE1 3.52Å; R166-E356 IonicContact NH2-OE2 3.65Å; R166-E356 PolarHBondContact NH2-OE2 2.81Å
167F82.2Confident86.3Confident62 Ų6221 Ų2127%0.27211%0.108SC..EExtended strand (participates in β ladder)trans-109.1123.7-176.6-64.5-96.2000109.7F165 L171 V172 V192 F196 Y271F165-F167 HydrophobicContact CB-CE2 4.27Å; F167-L171 WeakPolarHBondContact CA-O 3.24Å; F167-V172 HydrophobicContact CD1-CB 4.11Å; F167-V172 HydrophobicContact CD1-CG2 4.29Å; F167-V172 HydrophobicContact CE1-CB 3.93Å; F167-V172 HydrophobicContact CE1-CG2 3.87Å; F167-V172 HydrophobicContact CE2-CG2 4.42Å; F167-V172 HydrophobicContact CZ-CB 4.49Å; F167-V172 HydrophobicContact CZ-CG2 3.92Å; F167-V192 HydrophobicContact CD1-CG1 4.45Å; F167-V192 HydrophobicContact CD1-CG2 3.69Å; F167-V192 HydrophobicContact CE1-CG1 4.29Å; F167-V192 HydrophobicContact CE1-CG2 4.06Å; F167-F196 HydrophobicContact CE1-CD2 4.2Å; F167-F196 HydrophobicContact CE1-CE2 4.17Å; F167-F196 HydrophobicContact CZ-CD2 4.42Å; F167-F196 HydrophobicContact CZ-CE2 4.07Å; F167-Y271 HydrophobicContact CE1-CE1 4.27Å; F167-Y271 HydrophobicContact CE2-CD1 4.13Å; F167-Y271 HydrophobicContact CE2-CD2 4.25Å; F167-Y271 AromaticContact CE2-CE1 3.64Å; F167-Y271 HydrophobicContact CE2-CE1 3.64Å; F167-Y271 AromaticContact CE2-CE2 3.83Å; F167-Y271 HydrophobicContact CE2-CE2 3.83Å; F167-Y271 HydrophobicContact CE2-CG 4.41Å; F167-Y271 AromaticContact CE2-CZ 3.53Å; F167-Y271 AromaticContact CZ-CD1 3.64Å; F167-Y271 HydrophobicContact CZ-CD1 3.64Å; F167-Y271 AromaticContact CZ-CE1 3.26Å; F167-Y271 HydrophobicContact CZ-CE1 3.26Å; F167-Y271 HydrophobicContact CZ-CE2 4.3Å; F167-Y271 HydrophobicContact CZ-CG 4.28Å; F167-Y271 AromaticContact CZ-CZ 3.69Å
168V77.3Confident87.1Confident29 Ų2917.8 Ų17.818%0.1769%0.091CC..EExtended strand (participates in β ladder)trans-130.9104.6176-173.70000108.3N170 L171 Y173 L208 F353V168-N170 PolarHBondContact O-N 3.37Å; V168-L171 PolarHBondContact N-O 3.45Å; V168-L171 WeakPolarHBondContact O-CB 3.44Å; V168-L171 PolarHBondContact O-N 2.99Å; V168-Y173 HydrophobicContact CB-CE2 4.05Å; V168-Y173 HydrophobicContact CG2-CD2 4.23Å; V168-Y173 HydrophobicContact CG2-CE2 3.98Å; V168-L208 HydrophobicContact CG1-CD1 4.36Å; V168-F353 HydrophobicContact CG2-CE2 4.37Å; V168-F353 HydrophobicContact CG2-CZ 3.76Å
169G74.9Confident87.5Confident16 Ų1617 Ų1717%0.1659%0.088CC..THydrogen-bonded Turntrans57.1-120.9-172.600000111.4L171 N203G169-L171 VanDerWaalsContact C-N 3.34Å; G169-N203 PolarHBondContact O-ND2 3.33Å
170N82.3Confident87.4Confident103 Ų10316.8 Ų16.855%0.5519%0.088SC*.THydrogen-bonded Turntrans-91.37178.9-67.5-10.5000113.8V168 V192 N203V168-N170 PolarHBondContact O-N 3.37Å; N170-V192 WeakPolarHBondContact O-CG2 3.26Å; N170-V192 PolarHBondContact O-N 3.02Å; N170-N203 PolarHBondContact OD1-ND2 3.01Å
171L83.3Confident87.1Confident34 Ų3418.6 Ų18.618%0.17810%0.099CC..EExtended strand (participates in β ladder)trans-106.3143-178.7-62.6176.7000111.2F167 V168 G169 Y173 G190 L191 L218F167-L171 WeakPolarHBondContact CA-O 3.24Å; V168-L171 PolarHBondContact N-O 3.45Å; V168-L171 WeakPolarHBondContact O-CB 3.44Å; V168-L171 PolarHBondContact O-N 2.99Å; G169-L171 VanDerWaalsContact C-N 3.34Å; L171-Y173 HydrophobicContact CB-CE2 3.77Å; L171-Y173 HydrophobicContact CD1-CE2 4.45Å; L171-Y173 WeakPolarHBondContact CD1-OH 3.26Å; L171-G190 CarbonylContact C-O 3.53Å; L171-G190 WeakPolarHBondContact CA-O 2.98Å; L171-L191 HydrophobicContact CD2-CD2 3.96Å; L171-L218 HydrophobicContact CD2-CD2 3.5Å; L171-L218 VanDerWaalsContact CD2-CD2 3.5Å
172V87.4Confident86.4Confident0 Ų020.2 Ų20.20%011%0.109CC..EExtended strand (participates in β ladder)trans-115139.1166.556.50000109.4F165 R166 F167 A189 G190 V192 W195 F196F165-V172 HydrophobicContact CD1-CG2 3.82Å; R166-V172 CarbonylContact O-C 3.59Å; R166-V172 WeakPolarHBondContact O-CA 3.44Å; F167-V172 HydrophobicContact CD1-CB 4.11Å; F167-V172 HydrophobicContact CD1-CG2 4.29Å; F167-V172 HydrophobicContact CE1-CB 3.93Å; F167-V172 HydrophobicContact CE1-CG2 3.87Å; F167-V172 HydrophobicContact CE2-CG2 4.42Å; F167-V172 HydrophobicContact CZ-CB 4.49Å; F167-V172 HydrophobicContact CZ-CG2 3.92Å; V172-A189 CarbonylContact O-C 3.49Å; V172-A189 VanDerWaalsContact O-CA 3.31Å; V172-A189 WeakPolarHBondContact O-CA 3.4Å; V172-G190 PolarHBondContact N-O 3.39Å; V172-G190 PolarHBondContact O-N 2.98Å; V172-V192 HydrophobicContact CB-CG2 4.1Å; V172-V192 HydrophobicContact CG1-CG2 4.44Å; V172-W195 HydrophobicContact CB-CE3 4.38Å; V172-W195 HydrophobicContact CG1-CB 4.1Å; V172-W195 HydrophobicContact CG1-CD2 3.59Å; V172-W195 HydrophobicContact CG1-CE3 3.34Å; V172-W195 HydrophobicContact CG1-CG 3.93Å; V172-W195 HydrophobicContact CG1-CZ3 3.91Å; V172-W195 HydrophobicContact CG2-CE3 4.15Å; V172-W195 HydrophobicContact CG2-CZ3 4.22Å; V172-F196 HydrophobicContact CB-CE2 4.45Å; V172-F196 HydrophobicContact CG1-CE2 4.18Å; V172-F196 HydrophobicContact CG2-CE2 4.09Å
173Y88.3Confident86Confident11 Ų1127.4 Ų27.44%0.04315%0.148CC..EExtended strand (participates in β ladder)trans-116.7130.8176.3-63.2-94.6000109.2F165 R166 V168 L171 L187 R188 A189 F353F165-Y173 CarbonylContact C-O 3.58Å; F165-Y173 WeakPolarHBondContact CA-O 3.47Å; R166-Y173 PolarHBondContact N-O 3.15Å; R166-Y173 PolarHBondContact O-N 3.09Å; V168-Y173 HydrophobicContact CB-CE2 4.05Å; V168-Y173 HydrophobicContact CG2-CD2 4.23Å; V168-Y173 HydrophobicContact CG2-CE2 3.98Å; L171-Y173 HydrophobicContact CB-CE2 3.77Å; L171-Y173 HydrophobicContact CD1-CE2 4.45Å; L171-Y173 WeakPolarHBondContact CD1-OH 3.26Å; Y173-L187 HydrophobicContact CD1-CD1 4.44Å; Y173-R188 CarbonylContact C-O 3.59Å; Y173-R188 WeakPolarHBondContact CA-O 3.4Å; Y173-A189 HydrophobicContact CD1-CB 3.7Å; Y173-A189 HydrophobicContact CE1-CB 3.63Å; Y173-F353 HydrophobicContact CD1-CD2 4.4Å; Y173-F353 HydrophobicContact CD1-CE2 4.2Å; Y173-F353 HydrophobicContact CD2-CD2 4.5Å; Y173-F353 AromaticContact CD2-CE2 3.67Å; Y173-F353 HydrophobicContact CD2-CE2 3.67Å; Y173-F353 HydrophobicContact CD2-CZ 4.39Å; Y173-F353 HydrophobicContact CE2-CE2 4.24Å; Y173-F353 HydrophobicContact CG-CD2 4.04Å; Y173-F353 AromaticContact CG-CE2 3.64Å; Y173-F353 HydrophobicContact CG-CE2 3.64Å
174L92.1Very high85.6Confident1 Ų129 Ų291%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-105.1114167170.362.1000107.7F163 F165 V176 L187 R188 W195F163-L174 HydrophobicContact CD2-CD1 4.31Å; F165-L174 HydrophobicContact CD1-CB 4.48Å; F165-L174 HydrophobicContact CD2-CD1 4.4Å; F165-L174 HydrophobicContact CE1-CB 4.18Å; F165-L174 HydrophobicContact CE1-CD1 4.18Å; F165-L174 HydrophobicContact CE2-CD1 3.95Å; F165-L174 HydrophobicContact CZ-CD1 3.84Å; L174-V176 HydrophobicContact CD1-CG2 4.1Å; L174-V176 HydrophobicContact CG-CG2 4.11Å; L174-L187 WeakPolarHBondContact O-CA 3.31Å; L174-R188 PolarHBondContact N-O 2.81Å; L174-R188 PolarHBondContact O-N 2.88Å; L174-W195 HydrophobicContact CB-CH2 3.99Å; L174-W195 HydrophobicContact CB-CZ3 3.97Å
175S90.5Very high85.6Confident0 Ų030.9 Ų30.90%017%0.167CC..EExtended strand (participates in β ladder)trans-105.7139.3170.731.90000110.5F163 S164 L186F163-S175 CarbonylContact C-O 3.59Å; F163-S175 WeakPolarHBondContact CA-O 3.47Å; F163-S175 WeakPolarHBondContact CB-O 3.46Å; S164-S175 PolarHBondContact N-O 3.24Å; S164-S175 PolarHBondContact O-N 3.26Å; S164-S175 PolarHBondContact OG-OG 2.96Å; S175-L186 CarbonylContact C-O 3.53Å; S175-L186 WeakPolarHBondContact CA-O 3.41Å
176V92.8Very high85.8Confident1 Ų131.3 Ų31.31%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-139.7139.7177.5-164.70000108.7F161 T162 F163 L174 S185 L186 L228 F231F161-V176 HydrophobicContact CB-CG1 4.21Å; F161-V176 HydrophobicContact CD1-CG1 4.4Å; T162-V176 CarbonylContact O-C 3.48Å; T162-V176 VanDerWaalsContact O-CA 3.25Å; T162-V176 WeakPolarHBondContact O-CA 3.46Å; F163-V176 HydrophobicContact CB-CG1 4.32Å; F163-V176 HydrophobicContact CB-CG2 4.21Å; L174-V176 HydrophobicContact CD1-CG2 4.1Å; L174-V176 HydrophobicContact CG-CG2 4.11Å; V176-S185 CarbonylContact O-C 3.49Å; V176-S185 WeakPolarHBondContact O-CA 3.5Å; V176-S185 WeakPolarHBondContact O-CB 3.45Å; V176-L186 HydrophobicContact CB-CB 4.09Å; V176-L186 HydrophobicContact CG2-CB 4.34Å; V176-L186 HydrophobicContact CG2-CD2 4.21Å; V176-L186 PolarHBondContact N-O 3.24Å; V176-L186 PolarHBondContact O-N 3.45Å; V176-L228 HydrophobicContact CB-CD1 4.35Å; V176-L228 HydrophobicContact CG1-CD1 4.05Å; V176-L228 HydrophobicContact CG2-CD1 3.53Å; V176-F231 HydrophobicContact CB-CE1 4.2Å; V176-F231 HydrophobicContact CG1-CD1 4.15Å; V176-F231 HydrophobicContact CG1-CE1 3.85Å
177L91.2Very high86.1Confident1 Ų131.3 Ų31.31%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-130135.6179.3179.777.2000109.3F161 T162 P182 I354 C357 Y358F161-L177 CarbonylContact C-O 3.59Å; F161-L177 WeakPolarHBondContact CA-O 3.36Å; T162-L177 PolarHBondContact N-O 2.92Å; T162-L177 PolarHBondContact O-N 3.47Å; T162-L177 WeakPolarHBondContact OG1-CB 3.33Å; L177-P182 VanDerWaalsContact CD1-O 3.26Å; L177-P182 WeakPolarHBondContact CD1-O 3.35Å; L177-I354 HydrophobicContact CD1-CG2 4.45Å; L177-C357 HydrophobicContact CB-CB 3.75Å; L177-C357 HydrophobicContact CD2-CB 4.21Å; L177-Y358 HydrophobicContact CD2-CD2 4.13Å
178D90.3Very high86.5Confident7 Ų732 Ų324%0.03717%0.173CC..EExtended strand (participates in β ladder)trans-81.3120.2171.6-170.6-21.8000109.9Q159 F161 S180 N181 P182 R184 F231Q159-D178 PolarHBondContact NE2-OD1 3.49Å; F161-D178 HydrophobicContact CD1-CB 4.01Å; F161-D178 HydrophobicContact CE1-CB 3.76Å; D178-S180 VanDerWaalsContact C-N 3.32Å; D178-S180 PolarHBondContact O-N 3.43Å; D178-S180 PolarHBondContact OD1-N 3.41Å; D178-N181 CarbonylContact O-C 3.08Å; D178-N181 PolarHBondContact O-N 3.12Å; D178-N181 VanDerWaalsContact O-O 3.07Å; D178-P182 WeakPolarHBondContact O-CA 3.48Å; D178-R184 HydrophobicContact CB-CB 4.07Å; D178-R184 HydrophobicContact CB-CG 4.28Å; D178-R184 PolarHBondContact N-O 2.96Å; D178-R184 WeakPolarHBondContact OD2-CD 3.15Å; D178-R184 IonicContact OD2-CZ 3.85Å; D178-R184 IonicContact OD2-NH1 3.97Å; D178-R184 PolarHBondContact OD2-NH1 2.73Å; D178-F231 HydrophobicContact CB-CZ 4.35Å
179C88.3Confident87.1Confident1 Ų131 Ų311%0.00717%0.168CC..SBendtrans-70.9-28.5-177.9-62.90000112.4W160 Y361 F365 V382W160-C179 HydrophobicContact CB-CB 3.8Å; W160-C179 VanDerWaalsContact O-CB 3.24Å; W160-C179 WeakPolarHBondContact O-CB 3.35Å; W160-C179 PolarHBondContact O-N 2.86Å; W160-C179 PolarHBondContact O-SG 3.24Å; C179-Y361 HydrophobicContact CB-CD2 3.73Å; C179-Y361 HydrophobicContact CB-CE2 4.05Å; C179-Y361 WeakPolarHBondContact O-CE2 2.83Å; C179-F365 HydrophobicContact CB-CD2 4.42Å; C179-F365 HydrophobicContact CB-CE2 4.31Å; C179-V382 HydrophobicContact CB-CG2 4.35Å; C179-V382 VanDerWaalsContact O-CG2 3.32Å; C179-V382 WeakPolarHBondContact O-CG2 3.29Å
180S84Confident87.8Confident16 Ų1630.2 Ų30.211%0.11216%0.161CC..SBendtrans-77.5-27.2177.6-65.20000112.4Q159 D178 N380Q159-S180 PolarHBondContact NE2-OG 3.2Å; D178-S180 VanDerWaalsContact C-N 3.32Å; D178-S180 PolarHBondContact O-N 3.43Å; D178-S180 PolarHBondContact OD1-N 3.41Å; S180-N380 WeakPolarHBondContact CB-O 3.34Å; S180-N380 WeakPolarHBondContact O-CB 3.08Å; S180-N380 PolarHBondContact OG-O 3.21Å; S180-N380 VanDerWaalsContact OG-O 3.1Å
181N83.6Confident88Confident47 Ų4728.9 Ų28.925%0.25115%0.153SC..  trans-133.587.9174.6-174.9-4.9000110.1D178 N183 R184D178-N181 CarbonylContact O-C 3.08Å; D178-N181 PolarHBondContact O-N 3.12Å; D178-N181 VanDerWaalsContact O-O 3.07Å; N181-N183 PolarHBondContact O-N 3.24Å; N181-N183 WeakPolarHBondContact OD1-CB 3.2Å; N181-N183 PolarHBondContact OD1-N 3.48Å; N181-R184 HydrophobicContact CB-CB 4.17Å; N181-R184 WeakPolarHBondContact O-CA 3.37Å; N181-R184 VanDerWaalsContact O-CB 3.26Å; N181-R184 WeakPolarHBondContact O-CB 3.49Å; N181-R184 PolarHBondContact O-N 2.89Å
182P80.3Confident88.2Confident34 Ų3427.4 Ų27.422%0.22115%0.145CC..THydrogen-bonded Turntrans-65.7-9.4-17725.5-34.6000114.3L177 D178 Y358L177-P182 VanDerWaalsContact CD1-O 3.26Å; L177-P182 WeakPolarHBondContact CD1-O 3.35Å; D178-P182 WeakPolarHBondContact O-CA 3.48Å; P182-Y358 HydrophobicContact CB-CD2 4.02Å; P182-Y358 HydrophobicContact CB-CE2 3.79Å; P182-Y358 HydrophobicContact CG-CE2 4.49Å
183N82.8Confident88.1Confident150 Ų15032.8 Ų32.880%0.80217%0.174SC*.THydrogen-bonded Turntrans-77-16170.4-63.3-32.7000112.1N181N181-N183 PolarHBondContact O-N 3.24Å; N181-N183 WeakPolarHBondContact OD1-CB 3.2Å; N181-N183 PolarHBondContact OD1-N 3.48Å
184R85.6Confident87.9Confident35 Ų3535 Ų3513%0.13219%0.189CC..  trans-95112-179.2-175.4-176.6-176.6-147.36.1109.7D178 N181 F231 T234D178-R184 HydrophobicContact CB-CB 4.07Å; D178-R184 HydrophobicContact CB-CG 4.28Å; D178-R184 PolarHBondContact N-O 2.96Å; D178-R184 WeakPolarHBondContact OD2-CD 3.15Å; D178-R184 IonicContact OD2-CZ 3.85Å; D178-R184 IonicContact OD2-NH1 3.97Å; D178-R184 PolarHBondContact OD2-NH1 2.73Å; N181-R184 HydrophobicContact CB-CB 4.17Å; N181-R184 WeakPolarHBondContact O-CA 3.37Å; N181-R184 VanDerWaalsContact O-CB 3.26Å; N181-R184 WeakPolarHBondContact O-CB 3.49Å; N181-R184 PolarHBondContact O-N 2.89Å; R184-F231 HydrophobicContact CG-CE2 3.52Å; R184-F231 HydrophobicContact CG-CZ 3.79Å; R184-F231 PolarHBondContact NH1-O 2.87Å; R184-F231 PolarHBondContact NH2-O 2.77Å; R184-T234 PolarHBondContact NH1-O 3.23Å; R184-T234 PolarHBondContact NH2-O 2.92Å; R184-T234 PolarHBondContact NH2-OG1 3.42Å
185S89.2Confident87.8Confident50 Ų5035 Ų3535%0.3519%0.189SC..EExtended strand (participates in β ladder)trans-136.2153.517857.30000111.6V176V176-S185 CarbonylContact O-C 3.49Å; V176-S185 WeakPolarHBondContact O-CA 3.5Å; V176-S185 WeakPolarHBondContact O-CB 3.45Å
186L90.7Very high87.6Confident13 Ų1335.3 Ų35.37%0.06819%0.19CC..EExtended strand (participates in β ladder)trans-117.8134.1172.7178.671.1000108.4S175 V176 R188 D227 L228 F231S175-L186 CarbonylContact C-O 3.53Å; S175-L186 WeakPolarHBondContact CA-O 3.41Å; V176-L186 HydrophobicContact CB-CB 4.09Å; V176-L186 HydrophobicContact CG2-CB 4.34Å; V176-L186 HydrophobicContact CG2-CD2 4.21Å; V176-L186 PolarHBondContact N-O 3.24Å; V176-L186 PolarHBondContact O-N 3.45Å; L186-R188 HydrophobicContact CD1-CG 4.32Å; L186-R188 HydrophobicContact CG-CG 4.39Å; L186-D227 HydrophobicContact CD1-CB 4.5Å; L186-L228 HydrophobicContact CD2-CB 4.15Å; L186-L228 HydrophobicContact CD2-CD1 4.38Å; L186-F231 HydrophobicContact CB-CD1 4.16Å; L186-F231 HydrophobicContact CB-CD2 3.82Å; L186-F231 HydrophobicContact CB-CE1 4.3Å; L186-F231 HydrophobicContact CB-CE2 3.94Å; L186-F231 HydrophobicContact CB-CG 3.92Å; L186-F231 HydrophobicContact CB-CZ 4.19Å; L186-F231 HydrophobicContact CD2-CB 3.99Å; L186-F231 HydrophobicContact CD2-CG 4.23Å
187L90.8Very high86.7Confident47 Ų4739.8 Ų39.825%0.24622%0.219CC..EExtended strand (participates in β ladder)trans-129.4129.4169-173.571.2000109.4Y173 L174Y173-L187 HydrophobicContact CD1-CD1 4.44Å; L174-L187 WeakPolarHBondContact O-CA 3.31Å
188R91.3Very high85.6Confident75 Ų7546.7 Ų46.728%0.28326%0.256SS..EExtended strand (participates in β ladder)trans-130.4138.5173-70.2-67179.5-92.94.7109.6Y173 L174 L186 W195 A224 D227Y173-R188 CarbonylContact C-O 3.59Å; Y173-R188 WeakPolarHBondContact CA-O 3.4Å; L174-R188 PolarHBondContact N-O 2.81Å; L174-R188 PolarHBondContact O-N 2.88Å; L186-R188 HydrophobicContact CD1-CG 4.32Å; L186-R188 HydrophobicContact CG-CG 4.39Å; R188-W195 HydrophobicContact CB-CH2 4.22Å; R188-A224 HydrophobicContact CB-CB 4.06Å; R188-A224 HydrophobicContact CG-CB 4.31Å; R188-D227 IonicContact CZ-OD2 2.77Å; R188-D227 IonicContact NE-OD2 3.48Å; R188-D227 PolarHBondContact NE-OD2 2.97Å; R188-D227 IonicContact NH2-OD2 3.61Å; R188-D227 PolarHBondContact NH2-OD2 3.33Å
189A89.4Confident84.5Confident9 Ų947.1 Ų47.17%0.07426%0.258CS..EExtended strand (participates in β ladder)trans-120.8143.917900000109.3V172 Y173 V216 S219V172-A189 CarbonylContact O-C 3.49Å; V172-A189 VanDerWaalsContact O-CA 3.31Å; V172-A189 WeakPolarHBondContact O-CA 3.4Å; Y173-A189 HydrophobicContact CD1-CB 3.7Å; Y173-A189 HydrophobicContact CE1-CB 3.63Å; A189-V216 HydrophobicContact CB-CG1 3.64Å; A189-S219 PolarHBondContact O-N 2.69Å; A189-S219 PolarHBondContact O-OG 2.83Å
190G88.7Confident83Confident0 Ų053.6 Ų53.60%029%0.293CS..EExtended strand (participates in β ladder)trans-151.6170.717800000112L171 V172L171-G190 CarbonylContact C-O 3.53Å; L171-G190 WeakPolarHBondContact CA-O 2.98Å; V172-G190 PolarHBondContact N-O 3.39Å; V172-G190 PolarHBondContact O-N 2.98Å
191L87.9Confident81.3Confident75 Ų7554.7 Ų54.739%0.39330%0.3SS..EExtended strand (participates in β ladder)trans-79.2133.3172.9-68.1167.7000109.5L171 N193 T194 W195 L218L171-L191 HydrophobicContact CD2-CD2 3.96Å; L191-N193 VanDerWaalsContact C-N 3.31Å; L191-N193 PolarHBondContact O-N 3.11Å; L191-T194 PolarHBondContact O-N 2.92Å; L191-W195 PolarHBondContact O-N 2.97Å; L191-L218 HydrophobicContact CD1-CD1 4.45Å; L191-L218 HydrophobicContact CD2-CD1 4.35Å; L191-L218 HydrophobicContact CG-CD1 4.15Å
192V86.5Confident79.4Confident3 Ų358.7 Ų58.72%0.01832%0.32CS..Hα-helixtrans-55-47.9178.3174.30000110.7F167 N170 V172 T194 W195 F196 C201F167-V192 HydrophobicContact CD1-CG1 4.45Å; F167-V192 HydrophobicContact CD1-CG2 3.69Å; F167-V192 HydrophobicContact CE1-CG1 4.29Å; F167-V192 HydrophobicContact CE1-CG2 4.06Å; N170-V192 WeakPolarHBondContact O-CG2 3.26Å; N170-V192 PolarHBondContact O-N 3.02Å; V172-V192 HydrophobicContact CB-CG2 4.1Å; V172-V192 HydrophobicContact CG1-CG2 4.44Å; V192-T194 PolarHBondContact O-N 2.81Å; V192-W195 PolarHBondContact O-N 2.76Å; V192-F196 CarbonylContact O-C 3.38Å; V192-F196 WeakPolarHBondContact O-CA 3.34Å; V192-F196 PolarHBondContact O-N 3.44Å; V192-C201 HydrophobicContact CG1-CB 4.22Å
193N85.2Confident77.6Confident112 Ų11259.8 Ų59.860%0.59932%0.324SS*.Hα-helixtrans-64.8-24-179.6-61.9-3.7000113.2L191 P197L191-N193 VanDerWaalsContact C-N 3.31Å; L191-N193 PolarHBondContact O-N 3.11Å; N193-P197 WeakPolarHBondContact O-CA 3.41Å
194T85.7Confident75.4Confident57 Ų5757.5 Ų57.535%0.3532%0.316SS..Hα-helixtrans-85.8-42.4178.2-54.40000111.4L191 V192L191-T194 PolarHBondContact O-N 2.92Å; V192-T194 PolarHBondContact O-N 2.81Å
195W88.2Confident72.7Confident2 Ų265.2 Ų65.21%0.00835%0.35CS..Hα-helixtrans-75-33.2178.3-76.226.5000111.9F165 V172 L174 R188 L191 V192 S219 P221 A224 L275F165-W195 HydrophobicContact CD1-CZ3 4.42Å; F165-W195 HydrophobicContact CE1-CE3 4.2Å; F165-W195 AromaticContact CE1-CZ3 3.88Å; F165-W195 HydrophobicContact CE1-CZ3 3.88Å; V172-W195 HydrophobicContact CB-CE3 4.38Å; V172-W195 HydrophobicContact CG1-CB 4.1Å; V172-W195 HydrophobicContact CG1-CD2 3.59Å; V172-W195 HydrophobicContact CG1-CE3 3.34Å; V172-W195 HydrophobicContact CG1-CG 3.93Å; V172-W195 HydrophobicContact CG1-CZ3 3.91Å; V172-W195 HydrophobicContact CG2-CE3 4.15Å; V172-W195 HydrophobicContact CG2-CZ3 4.22Å; L174-W195 HydrophobicContact CB-CH2 3.99Å; L174-W195 HydrophobicContact CB-CZ3 3.97Å; R188-W195 HydrophobicContact CB-CH2 4.22Å; L191-W195 PolarHBondContact O-N 2.97Å; V192-W195 PolarHBondContact O-N 2.76Å; W195-S219 WeakPolarHBondContact CZ2-OG 3.47Å; W195-S219 PolarHBondContact NE1-O 3.18Å; W195-P221 HydrophobicContact CG-CB 4.17Å; W195-A224 HydrophobicContact CH2-CB 3.68Å; W195-A224 HydrophobicContact CZ2-CB 3.35Å; W195-L275 HydrophobicContact CD2-CD1 4.31Å; W195-L275 HydrophobicContact CE3-CD1 4.31Å; W195-L275 HydrophobicContact CG-CD1 4.49Å
196F86.4Confident70.2Confident6 Ų665 Ų653%0.02635%0.348CS..  trans-137.271.7-173.9-50.4-66.1000111.3F165 F167 V172 V192 N198 M199 Y271 R274 L275F165-F196 HydrophobicContact CD1-CZ 4.43Å; F165-F196 HydrophobicContact CE1-CZ 4.16Å; F167-F196 HydrophobicContact CE1-CD2 4.2Å; F167-F196 HydrophobicContact CE1-CE2 4.17Å; F167-F196 HydrophobicContact CZ-CD2 4.42Å; F167-F196 HydrophobicContact CZ-CE2 4.07Å; V172-F196 HydrophobicContact CB-CE2 4.45Å; V172-F196 HydrophobicContact CG1-CE2 4.18Å; V172-F196 HydrophobicContact CG2-CE2 4.09Å; V192-F196 CarbonylContact O-C 3.38Å; V192-F196 WeakPolarHBondContact O-CA 3.34Å; V192-F196 PolarHBondContact O-N 3.44Å; F196-N198 PolarHBondContact O-N 3.1Å; F196-N198 VanDerWaalsContact O-N 3.15Å; F196-M199 HydrophobicContact CB-CB 3.92Å; F196-M199 HydrophobicContact CB-CG 3.71Å; F196-M199 HydrophobicContact CG-CG 4.44Å; F196-M199 WeakPolarHBondContact O-CB 3.5Å; F196-M199 PolarHBondContact O-N 2.79Å; F196-M199 VanDerWaalsContact O-N 3.09Å; F196-Y271 HydrophobicContact CE1-CD1 4.38Å; F196-Y271 WeakPolarHBondContact CE1-O 2.9Å; F196-Y271 HydrophobicContact CE2-CD1 4.32Å; F196-Y271 HydrophobicContact CZ-CD1 4.11Å; F196-R274 HydrophobicContact CD1-CB 3.93Å; F196-R274 HydrophobicContact CE1-CB 3.88Å; F196-L275 HydrophobicContact CE1-CB 4.48Å
197P74.7Confident67.4Low96 Ų9669.2 Ų69.262%0.62338%0.375SS*.THydrogen-bonded Turntrans-62.3-24.9-17523.3-34.2000114.6N193N193-P197 WeakPolarHBondContact O-CA 3.41Å
198N68.7Low64.6Low145 Ų14570.4 Ų70.478%0.77538%0.381SS*.THydrogen-bonded Turntrans-96.56.6-179.8-62-2.9000113.1F196 N200F196-N198 PolarHBondContact O-N 3.1Å; F196-N198 VanDerWaalsContact O-N 3.15Å; N198-N200 PolarHBondContact O-N 2.93Å
199M67.3Low61.8Low17 Ų1774.5 Ų74.58%0.08441%0.409CS..  trans-81.8112.3173.2-91.5-71.4-156.700109.5F196 C201 F266 Y271 R274F196-M199 HydrophobicContact CB-CB 3.92Å; F196-M199 HydrophobicContact CB-CG 3.71Å; F196-M199 HydrophobicContact CG-CG 4.44Å; F196-M199 WeakPolarHBondContact O-CB 3.5Å; F196-M199 PolarHBondContact O-N 2.79Å; F196-M199 VanDerWaalsContact O-N 3.09Å; M199-C201 PolarHBondContact O-N 2.78Å; M199-F266 HydrophobicContact CE-CD2 3.23Å; M199-F266 HydrophobicContact CE-CE2 3.49Å; M199-F266 VanDerWaalsContact CE-CE2 3.49Å; M199-F266 HydrophobicContact CE-CG 4.23Å; M199-F266 HydrophobicContact SD-CD2 4.25Å; M199-F266 HydrophobicContact SD-CE2 3.91Å; M199-Y271 HydrophobicContact CE-CD1 3.97Å; M199-Y271 HydrophobicContact CE-CE1 3.14Å; M199-R274 PolarHBondContact SD-NH1 2.91Å
200N55.6Low59.2Low137 Ų13781 Ų8173%0.73344%0.437SS*.  trans-7371.9149.8-70.6-10.4000107.1N198 I202 N264N198-N200 PolarHBondContact O-N 2.93Å; N200-I202 PolarHBondContact O-N 3.24Å; N200-N264 PolarHBondContact O-ND2 3.44Å
201C50Low56.7Low38 Ų3888.4 Ų88.426%0.25748%0.476SS..  trans-63.391159.9-75.10000105.2V192 M199 N203V192-C201 HydrophobicContact CG1-CB 4.22Å; M199-C201 PolarHBondContact O-N 2.78Å; C201-N203 PolarHBondContact O-N 3.19Å
202I42.7Very low54.4Low132 Ų13288.1 Ų88.168%0.67748%0.478SS*.  trans-59.390150.8-58.2171.8000102N200 T204N200-I202 PolarHBondContact O-N 3.24Å; I202-T204 VanDerWaalsContact C-N 3.3Å; I202-T204 PolarHBondContact O-N 3.48Å
203N41.6Very low52.1Low57 Ų5794 Ų9431%0.30552%0.519SS..  trans-51.5108.8169-75.4-12.7000103.7G169 N170 C201 K205G169-N203 PolarHBondContact O-ND2 3.33Å; N170-N203 PolarHBondContact OD1-ND2 3.01Å; C201-N203 PolarHBondContact O-N 3.19Å; N203-K205 PolarHBondContact O-N 3.19Å
204T37.5Very low50.1Low102 Ų10296.6 Ų96.663%0.62653%0.525SS*.  trans-44.2116.3154.938.90000103.4I202 S206I202-T204 VanDerWaalsContact C-N 3.3Å; I202-T204 PolarHBondContact O-N 3.48Å; T204-S206 PolarHBondContact O-N 3.35Å
205K28.4Very low48.6Very low196 Ų196104 Ų10485%0.85255%0.553SS**  trans-48.285.9-167.2-73.1173.4175.9175.10110.2N203 T207N203-K205 PolarHBondContact O-N 3.19Å; K205-T207 PolarHBondContact O-N 3Å
206S37.2Very low47.2Very low45 Ų45105.8 Ų105.832%0.31556%0.563SS.*  trans-84.395.3171.91670000101.7T204 L208T204-S206 PolarHBondContact O-N 3.35Å; S206-L208 PolarHBondContact O-N 3.41Å
207T30.9Very low46.6Very low103 Ų103110.6 Ų110.663%0.63260%0.598SS**  trans-67.940-179.641.40000112.2K205 N209K205-T207 PolarHBondContact O-N 3Å; T207-N209 VanDerWaalsContact C-N 3.35Å; T207-N209 PolarHBondContact O-N 3.45Å
208L32.8Very low47.2Very low71 Ų71110.2 Ų110.237%0.37259%0.59SS.*  trans-93.872.3174.5-141.5131.4000108V168 S206 E210V168-L208 HydrophobicContact CG1-CD1 4.36Å; S206-L208 PolarHBondContact O-N 3.41Å; L208-E210 PolarHBondContact O-N 3.25Å
209N33Very low48.1Very low162 Ų162104.1 Ų104.187%0.86656%0.559SS**  trans-76.98177-89.7-4.8000113.8T207T207-N209 VanDerWaalsContact C-N 3.35Å; T207-N209 PolarHBondContact O-N 3.45Å
210E34.2Very low49.3Very low145 Ų145108.2 Ų108.268%0.67858%0.578SS**  trans-131.5105.3179.7-71.2-177.5171.400110.6L208 P212L208-E210 PolarHBondContact O-N 3.25Å; E210-P212 VanDerWaalsContact O-CD 3.29Å; E210-P212 WeakPolarHBondContact O-CD 3.27Å
211I37.2Very low51Low156 Ų156102.4 Ų102.480%0.855%0.548SS*.  trans-60.4118.9167.1-60.8164000107.3S213I211-S213 PolarHBondContact O-N 2.94Å; I211-S213 VanDerWaalsContact O-N 3.16Å
212P38.9Very low53Low68 Ų68102.6 Ų102.644%0.44255%0.548SS..  trans-64.4121168.8-15.529.4000108E210 K214E210-P212 VanDerWaalsContact O-CD 3.29Å; E210-P212 WeakPolarHBondContact O-CD 3.27Å; P212-K214 PolarHBondContact O-N 3.05Å
213S38.8Very low55.4Low126 Ų126101.1 Ų101.188%0.88154%0.538SS*.SBendtrans-6726.1-172.746.10000115.7I211I211-S213 PolarHBondContact O-N 2.94Å; I211-S213 VanDerWaalsContact O-N 3.16Å
214K43.7Very low57.8Low168 Ų16898.4 Ų98.473%0.7352%0.523SS*.SBendtrans-94127.6165.3-83.4-174.2175.9-179.20109.2P212 V216P212-K214 PolarHBondContact O-N 3.05Å; K214-V216 PolarHBondContact O-N 3.33Å
215K52.6Low60.5Low212 Ų21293.6 Ų93.692%0.92249%0.494SS*.  trans-50.692.5177.4-72.3179.8177.61790110.6S217K215-S217 PolarHBondContact O-N 3.41Å
216V59.4Low63.5Low39 Ų3986 Ų8624%0.23646%0.461CS..  trans-64.8121.7160.8-179.60000105.8A189 K214 L218 L346A189-V216 HydrophobicContact CB-CG1 3.64Å; K214-V216 PolarHBondContact O-N 3.33Å; V216-L218 VanDerWaalsContact C-N 3.3Å; V216-L218 HydrophobicContact CB-CD2 4.39Å; V216-L218 HydrophobicContact CG1-CD2 3.92Å; V216-L218 PolarHBondContact O-N 3.3Å; V216-L346 HydrophobicContact CG2-CD1 3.79Å; V216-L346 HydrophobicContact CG2-CD2 3.65Å; V216-L346 HydrophobicContact CG2-CG 4.38Å
217S74.7Confident66.1Low107 Ų10785.8 Ų85.875%0.74846%0.456SS*.  trans-69.492.5170.857.90000108.4K215 S219K215-S217 PolarHBondContact O-N 3.41Å; S217-S219 PolarHBondContact O-N 3.02Å
218L85.8Confident69.2Low88 Ų8880.9 Ų80.946%0.46143%0.427SS..BIsolated β-bridgetrans-70.7120.3177.5-62.6173.8000109L171 L191 V216L171-L218 HydrophobicContact CD2-CD2 3.5Å; L171-L218 VanDerWaalsContact CD2-CD2 3.5Å; L191-L218 HydrophobicContact CD1-CD1 4.45Å; L191-L218 HydrophobicContact CD2-CD1 4.35Å; L191-L218 HydrophobicContact CG-CD1 4.15Å; V216-L218 VanDerWaalsContact C-N 3.3Å; V216-L218 HydrophobicContact CB-CD2 4.39Å; V216-L218 HydrophobicContact CG1-CD2 3.92Å; V216-L218 PolarHBondContact O-N 3.3Å
219S88.9Confident72Confident18 Ų1877.5 Ų77.513%0.12641%0.409CS..PPolyproline II helixtrans-91.1138.5175.654.40000111.2A189 W195 S217A189-S219 PolarHBondContact O-N 2.69Å; A189-S219 PolarHBondContact O-OG 2.83Å; W195-S219 WeakPolarHBondContact CZ2-OG 3.47Å; W195-S219 PolarHBondContact NE1-O 3.18Å; S217-S219 PolarHBondContact O-N 3.02Å
220Q91.7Very high74.7Confident102 Ų10272.8 Ų72.848%0.47738%0.383SS..PPolyproline II helixtrans-63.8150.8163.9-67.2-61.7-27.400109.6T222 H223 A224Q220-T222 PolarHBondContact O-N 3.12Å; Q220-H223 PolarHBondContact O-N 3.08Å; Q220-A224 PolarHBondContact O-N 3.44Å
221P91.6Very high77.4Confident15 Ų1566.9 Ų66.910%0.09736%0.355CS..Hα-helixtrans-57.7-34.5-178.822.2-32.8000112.1W195 L225 L275 T279W195-P221 HydrophobicContact CG-CB 4.17Å; P221-L225 WeakPolarHBondContact O-CB 3.26Å; P221-L225 PolarHBondContact O-N 3.28Å; P221-L275 HydrophobicContact CB-CD1 3.49Å; P221-L275 VanDerWaalsContact CB-CD1 3.49Å; P221-T279 HydrophobicContact CB-CG2 3.87Å; P221-T279 HydrophobicContact CG-CG2 4.47Å
222T92.1Very high79.9Confident43 Ų4359.6 Ų59.626%0.26432%0.318SS..Hα-helixtrans-63.4-44.7175.348.10000112.8Q220 H226 T279 V285Q220-T222 PolarHBondContact O-N 3.12Å; T222-H226 WeakPolarHBondContact O-CB 3.4Å; T222-H226 PolarHBondContact O-N 3.28Å; T222-T279 HydrophobicContact CG2-CG2 3.88Å; T222-V285 VanDerWaalsContact O-CG2 3.23Å; T222-V285 WeakPolarHBondContact O-CG2 3.33Å
223H92.1Very high82.1Confident100 Ų10057 Ų5746%0.46330%0.302SS..Hα-helixtrans-69.2-41.8177.5-63150.1000111.4Q220 L225 H226 D227Q220-H223 PolarHBondContact O-N 3.08Å; H223-L225 VanDerWaalsContact C-N 3.33Å; H223-L225 PolarHBondContact O-N 3.06Å; H223-H226 PolarHBondContact O-N 3.08Å; H223-D227 VanDerWaalsContact O-CB 3.3Å; H223-D227 WeakPolarHBondContact O-CB 3.26Å; H223-D227 PolarHBondContact O-N 3.44Å
224A92.7Very high84.2Confident0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-58.9-44.917800000112.1R188 W195 Q220 L228R188-A224 HydrophobicContact CB-CB 4.06Å; R188-A224 HydrophobicContact CG-CB 4.31Å; W195-A224 HydrophobicContact CH2-CB 3.68Å; W195-A224 HydrophobicContact CZ2-CB 3.35Å; Q220-A224 PolarHBondContact O-N 3.44Å; A224-L228 PolarHBondContact O-N 3.39Å
225L93.9Very high85.4Confident1 Ų146.4 Ų46.41%0.00525%0.245CC..Hα-helixtrans-75-38179.6-168.366.5000112.8P221 H223 D227 L228 W229 L272 L275 I276 T279 V285P221-L225 WeakPolarHBondContact O-CB 3.26Å; P221-L225 PolarHBondContact O-N 3.28Å; H223-L225 VanDerWaalsContact C-N 3.33Å; H223-L225 PolarHBondContact O-N 3.06Å; L225-D227 VanDerWaalsContact C-N 3.32Å; L225-D227 PolarHBondContact O-N 3.17Å; L225-L228 HydrophobicContact CD1-CD2 3.78Å; L225-L228 WeakPolarHBondContact O-CB 3.44Å; L225-L228 PolarHBondContact O-N 3.11Å; L225-W229 HydrophobicContact CD1-CD2 4.4Å; L225-W229 HydrophobicContact CD1-CH2 4.19Å; L225-W229 HydrophobicContact CD1-CZ2 3.69Å; L225-W229 HydrophobicContact CD2-CZ2 4.25Å; L225-W229 HydrophobicContact CG-CD2 4.5Å; L225-W229 HydrophobicContact CG-CZ2 4.08Å; L225-W229 VanDerWaalsContact O-CG 3.25Å; L225-W229 PolarHBondContact O-N 3.23Å; L225-L272 HydrophobicContact CD1-CD1 4.27Å; L225-L275 HydrophobicContact CB-CD2 4.38Å; L225-L275 HydrophobicContact CB-CG 4.42Å; L225-L275 HydrophobicContact CD1-CD2 4.2Å; L225-L275 HydrophobicContact CD1-CG 4.48Å; L225-I276 HydrophobicContact CD1-CG1 4.23Å; L225-I276 HydrophobicContact CD2-CB 4.41Å; L225-I276 HydrophobicContact CD2-CG1 3.95Å; L225-T279 WeakPolarHBondContact CD2-OG1 3.21Å; L225-V285 HydrophobicContact CB-CG1 4.44Å; L225-V285 HydrophobicContact CD2-CG1 3.63Å; L225-V285 HydrophobicContact CG-CG1 4.04Å
226H92Very high85.7Confident38 Ų3839.6 Ų39.618%0.17623%0.225CC..Hα-helixtrans-58.5-45.6172.7169.3-101.4000111.7T222 H223 L228 W229 L230 I284 V285T222-H226 WeakPolarHBondContact O-CB 3.4Å; T222-H226 PolarHBondContact O-N 3.28Å; H223-H226 PolarHBondContact O-N 3.08Å; H226-L228 VanDerWaalsContact C-N 3.32Å; H226-L228 PolarHBondContact O-N 3.44Å; H226-W229 PolarHBondContact O-N 3.45Å; H226-W229 VanDerWaalsContact O-N 3.16Å; H226-L230 WeakPolarHBondContact CE1-CD1 3.38Å; H226-L230 PolarHBondContact O-N 2.94Å; H226-I284 HydrophobicContact CB-CG2 4.27Å; H226-I284 WeakPolarHBondContact CD2-CG2 3.39Å; H226-I284 PolarHBondContact CD2-O 2.94Å; H226-I284 VanDerWaalsContact CD2-O 3.29Å; H226-V285 HydrophobicContact CB-CG2 4.21Å
227D91.9Very high85.3Confident39 Ų3944.4 Ų44.421%0.20925%0.249CC..Hα-helixtrans-68-34179.7-65.9-7.8000111.6L186 R188 H223 L225 F231L186-D227 HydrophobicContact CD1-CB 4.5Å; R188-D227 IonicContact CZ-OD2 2.77Å; R188-D227 IonicContact NE-OD2 3.48Å; R188-D227 PolarHBondContact NE-OD2 2.97Å; R188-D227 IonicContact NH2-OD2 3.61Å; R188-D227 PolarHBondContact NH2-OD2 3.33Å; H223-D227 VanDerWaalsContact O-CB 3.3Å; H223-D227 WeakPolarHBondContact O-CB 3.26Å; H223-D227 PolarHBondContact O-N 3.44Å; L225-D227 VanDerWaalsContact C-N 3.32Å; L225-D227 PolarHBondContact O-N 3.17Å; D227-F231 WeakPolarHBondContact O-CB 3.36Å; D227-F231 PolarHBondContact O-N 3.04Å
228L94.7Very high84Confident1 Ų145.1 Ų45.11%0.00524%0.239CC..Hα-helixtrans-58.4-48.8169.3172.268.8000111.1V176 L186 A224 L225 H226 F231 I232 L251 L272V176-L228 HydrophobicContact CB-CD1 4.35Å; V176-L228 HydrophobicContact CG1-CD1 4.05Å; V176-L228 HydrophobicContact CG2-CD1 3.53Å; L186-L228 HydrophobicContact CD2-CB 4.15Å; L186-L228 HydrophobicContact CD2-CD1 4.38Å; A224-L228 PolarHBondContact O-N 3.39Å; L225-L228 HydrophobicContact CD1-CD2 3.78Å; L225-L228 WeakPolarHBondContact O-CB 3.44Å; L225-L228 PolarHBondContact O-N 3.11Å; H226-L228 VanDerWaalsContact C-N 3.32Å; H226-L228 PolarHBondContact O-N 3.44Å; L228-F231 WeakPolarHBondContact O-CB 3.45Å; L228-F231 PolarHBondContact O-N 2.96Å; L228-I232 HydrophobicContact CD1-CG2 4.25Å; L228-I232 WeakPolarHBondContact O-CG1 3.22Å; L228-I232 PolarHBondContact O-N 2.64Å; L228-L251 HydrophobicContact CD1-CD2 4.05Å; L228-L251 HydrophobicContact CD2-CD2 4.22Å; L228-L272 HydrophobicContact CD2-CD1 4.11Å
229W93Very high82.1Confident0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-63.7-45.5-179.5-62.8156.7000112.8L225 H226 F231 I232 S233 I276 A288 Q289 P290 F295L225-W229 HydrophobicContact CD1-CD2 4.4Å; L225-W229 HydrophobicContact CD1-CH2 4.19Å; L225-W229 HydrophobicContact CD1-CZ2 3.69Å; L225-W229 HydrophobicContact CD2-CZ2 4.25Å; L225-W229 HydrophobicContact CG-CD2 4.5Å; L225-W229 HydrophobicContact CG-CZ2 4.08Å; L225-W229 VanDerWaalsContact O-CG 3.25Å; L225-W229 PolarHBondContact O-N 3.23Å; H226-W229 PolarHBondContact O-N 3.45Å; H226-W229 VanDerWaalsContact O-N 3.16Å; W229-F231 VanDerWaalsContact C-N 3.3Å; W229-F231 PolarHBondContact O-N 2.91Å; W229-I232 HydrophobicContact CE3-CD1 3.43Å; W229-I232 VanDerWaalsContact CE3-CD1 3.43Å; W229-I232 HydrophobicContact CE3-CG1 4.25Å; W229-I232 HydrophobicContact CZ3-CD1 3.71Å; W229-I232 VanDerWaalsContact O-CG1 3.29Å; W229-I232 WeakPolarHBondContact O-CG1 3.23Å; W229-I232 PolarHBondContact O-N 3.31Å; W229-S233 WeakPolarHBondContact O-CB 3.26Å; W229-S233 PolarHBondContact O-N 3.16Å; W229-S233 PolarHBondContact O-OG 3.36Å; W229-I276 HydrophobicContact CH2-CD1 4.2Å; W229-I276 HydrophobicContact CZ2-CD1 4.16Å; W229-I276 HydrophobicContact CZ2-CG1 4.1Å; W229-A288 HydrophobicContact CB-CB 3.85Å; W229-A288 WeakPolarHBondContact CB-O 3.43Å; W229-Q289 HydrophobicContact CG-CB 4.44Å; W229-Q289 HydrophobicContact CZ2-CG 4.35Å; W229-P290 HydrophobicContact CE3-CG 4.39Å; W229-F295 HydrophobicContact CH2-CE1 4.07Å; W229-F295 AromaticContact CH2-CZ 3.8Å; W229-F295 HydrophobicContact CH2-CZ 3.8Å; W229-F295 HydrophobicContact CZ3-CE1 4.32Å; W229-F295 HydrophobicContact CZ3-CZ 4.31Å
230L89.9Confident80Confident62 Ų6253.7 Ų53.733%0.32528%0.279SS..Hα-helixtrans-60.6-41.7172.6-73.2-177.6000111.9H226 I232 S233 T234 A288H226-L230 WeakPolarHBondContact CE1-CD1 3.38Å; H226-L230 PolarHBondContact O-N 2.94Å; L230-I232 PolarHBondContact O-N 3.33Å; L230-S233 PolarHBondContact O-N 2.83Å; L230-T234 WeakPolarHBondContact O-CB 3.44Å; L230-T234 WeakPolarHBondContact O-CG2 3.4Å; L230-T234 PolarHBondContact O-N 3.34Å; L230-T234 PolarHBondContact O-OG1 3.39Å; L230-A288 HydrophobicContact CD2-CB 4.14Å; L230-A288 HydrophobicContact CG-CB 4.27Å
231F90.9Very high77.8Confident21 Ų2152.7 Ų52.79%0.09228%0.28CS..Hα-helixtrans-60.2-46.5178.4177.7-96.6000111.5F161 V176 D178 R184 L186 D227 L228 W229F161-F231 HydrophobicContact CD1-CD1 4.34Å; F161-F231 AromaticContact CD1-CE1 3.78Å; F161-F231 HydrophobicContact CD1-CE1 3.78Å; F161-F231 HydrophobicContact CE1-CD1 4.17Å; F161-F231 AromaticContact CE1-CE1 3.78Å; F161-F231 HydrophobicContact CE1-CE1 3.78Å; V176-F231 HydrophobicContact CB-CE1 4.2Å; V176-F231 HydrophobicContact CG1-CD1 4.15Å; V176-F231 HydrophobicContact CG1-CE1 3.85Å; D178-F231 HydrophobicContact CB-CZ 4.35Å; R184-F231 HydrophobicContact CG-CE2 3.52Å; R184-F231 HydrophobicContact CG-CZ 3.79Å; R184-F231 PolarHBondContact NH1-O 2.87Å; R184-F231 PolarHBondContact NH2-O 2.77Å; L186-F231 HydrophobicContact CB-CD1 4.16Å; L186-F231 HydrophobicContact CB-CD2 3.82Å; L186-F231 HydrophobicContact CB-CE1 4.3Å; L186-F231 HydrophobicContact CB-CE2 3.94Å; L186-F231 HydrophobicContact CB-CG 3.92Å; L186-F231 HydrophobicContact CB-CZ 4.19Å; L186-F231 HydrophobicContact CD2-CB 3.99Å; L186-F231 HydrophobicContact CD2-CG 4.23Å; D227-F231 WeakPolarHBondContact O-CB 3.36Å; D227-F231 PolarHBondContact O-N 3.04Å; L228-F231 WeakPolarHBondContact O-CB 3.45Å; L228-F231 PolarHBondContact O-N 2.96Å; W229-F231 VanDerWaalsContact C-N 3.3Å; W229-F231 PolarHBondContact O-N 2.91Å
232I89.7Confident75.5Confident3 Ų353.4 Ų53.42%0.01529%0.288CS..Hα-helixtrans-74.4-30.6-179.264.6178.6000113F161 L228 W229 L230 Y249 L251 P290F161-I232 HydrophobicContact CD1-CG2 4.02Å; F161-I232 HydrophobicContact CD2-CB 4.26Å; F161-I232 HydrophobicContact CD2-CG2 3.86Å; F161-I232 HydrophobicContact CE1-CB 4.39Å; F161-I232 HydrophobicContact CE1-CG2 3.98Å; F161-I232 HydrophobicContact CE2-CB 3.76Å; F161-I232 HydrophobicContact CE2-CG2 3.81Å; F161-I232 HydrophobicContact CG-CG2 3.96Å; F161-I232 HydrophobicContact CZ-CB 3.83Å; F161-I232 HydrophobicContact CZ-CG2 3.88Å; L228-I232 HydrophobicContact CD1-CG2 4.25Å; L228-I232 WeakPolarHBondContact O-CG1 3.22Å; L228-I232 PolarHBondContact O-N 2.64Å; W229-I232 HydrophobicContact CE3-CD1 3.43Å; W229-I232 VanDerWaalsContact CE3-CD1 3.43Å; W229-I232 HydrophobicContact CE3-CG1 4.25Å; W229-I232 HydrophobicContact CZ3-CD1 3.71Å; W229-I232 VanDerWaalsContact O-CG1 3.29Å; W229-I232 WeakPolarHBondContact O-CG1 3.23Å; W229-I232 PolarHBondContact O-N 3.31Å; L230-I232 PolarHBondContact O-N 3.33Å; I232-Y249 HydrophobicContact CB-CD1 4.41Å; I232-Y249 WeakPolarHBondContact O-CE1 3.33Å; I232-L251 HydrophobicContact CD1-CD1 4.07Å; I232-L251 HydrophobicContact CG2-CD1 4.33Å; I232-P290 HydrophobicContact CD1-CG 3.71Å
233S84.8Confident73.1Confident15 Ų1556.6 Ų56.611%0.10531%0.307CS..Hα-helixtrans-87.1-13.9-177.2-63.50000114.9W229 L230W229-S233 WeakPolarHBondContact O-CB 3.26Å; W229-S233 PolarHBondContact O-N 3.16Å; W229-S233 PolarHBondContact O-OG 3.36Å; L230-S233 PolarHBondContact O-N 2.83Å
234T82.5Confident71Confident20 Ų2054.2 Ų54.212%0.12330%0.301CS..EExtended strand (participates in β ladder)trans-97.1154.5173.555.30000110.6R184 L230R184-T234 PolarHBondContact NH1-O 3.23Å; R184-T234 PolarHBondContact NH2-O 2.92Å; R184-T234 PolarHBondContact NH2-OG1 3.42Å; L230-T234 WeakPolarHBondContact O-CB 3.44Å; L230-T234 WeakPolarHBondContact O-CG2 3.4Å; L230-T234 PolarHBondContact O-N 3.34Å; L230-T234 PolarHBondContact O-OG1 3.39Å
235T69.2Low68.9Low50 Ų5059.3 Ų59.331%0.30733%0.328SS..EExtended strand (participates in β ladder)trans-111.1153.4169.446.50000110.1D237 K238T235-D237 PolarHBondContact O-N 3.39Å; T235-K238 PolarHBondContact O-N 2.89Å; T235-K238 VanDerWaalsContact O-O 3.08Å
236S59.2Low67.3Low69 Ų6961.7 Ų61.748%0.48335%0.348SS..THydrogen-bonded Turntrans-51.6-31.6-173.754.60000114.6
237D50.5Low66.3Low140 Ų14062.9 Ų62.975%0.74935%0.351SS*.THydrogen-bonded Turntrans-89.5-12.7-164-60.5-9.4000113.4T235T235-D237 PolarHBondContact O-N 3.39Å
238K48.1Very low65.7Low123 Ų12361.2 Ų61.254%0.53534%0.343SS..EExtended strand (participates in β ladder)trans-152.1130173.1-61.2-171.4-179.4-174.40109.4T235 E240T235-K238 PolarHBondContact O-N 2.89Å; T235-K238 VanDerWaalsContact O-O 3.08Å; K238-E240 HydrophobicContact CB-CB 3.92Å; K238-E240 HydrophobicContact CB-CG 4.17Å; K238-E240 HydrophobicContact CD-CG 4.4Å; K238-E240 WeakPolarHBondContact CD-OE2 3.27Å; K238-E240 IonicContact NZ-OE2 2.67Å; K238-E240 PolarHBondContact O-N 3.34Å
239N45.7Very low65.4Low159 Ų15962 Ų6285%0.8535%0.346SS*.EExtended strand (participates in β ladder)trans-63.912.1161.6-75.6-20.7000112.7V241N239-V241 PolarHBondContact O-N 3.05Å
240E44.1Very low65.2Low126 Ų12662 Ų6259%0.58935%0.346SS*.EExtended strand (participates in β ladder)trans-71.4120.6165.5-72.7177.5172.700107.6K238 A242K238-E240 HydrophobicContact CB-CB 3.92Å; K238-E240 HydrophobicContact CB-CG 4.17Å; K238-E240 HydrophobicContact CD-CG 4.4Å; K238-E240 WeakPolarHBondContact CD-OE2 3.27Å; K238-E240 IonicContact NZ-OE2 2.67Å; K238-E240 PolarHBondContact O-N 3.34Å; E240-A242 PolarHBondContact O-N 3.34Å
241V44.4Very low65.4Low81 Ų8159.1 Ų59.149%0.49133%0.331SS..EExtended strand (participates in β ladder)trans-58.4105.9165.8-178.70000105.9N239 V243N239-V241 PolarHBondContact O-N 3.05Å; V241-V243 HydrophobicContact CB-CG2 4.3Å; V241-V243 HydrophobicContact CG1-CG2 3.69Å; V241-V243 PolarHBondContact O-N 3.18Å
242A44Very low65.4Low31 Ų3158.1 Ų58.126%0.25633%0.326SS..  trans-70.685.317100000106.4E240 S244E240-A242 PolarHBondContact O-N 3.34Å; A242-S244 PolarHBondContact O-N 3.49Å
243V42.1Very low65.5Low110 Ų11058 Ų5867%0.66733%0.325SS*.  trans-71.553.8166.5-166.10000107.9V241 N245V241-V243 HydrophobicContact CB-CG2 4.3Å; V241-V243 HydrophobicContact CG1-CG2 3.69Å; V241-V243 PolarHBondContact O-N 3.18Å; V243-N245 PolarHBondContact O-N 2.82Å
244S47Very low65.5Low49 Ų4958.6 Ų58.634%0.34333%0.326SS..  trans-79.3101.6161.961.60000105.4A242 A246 R247A242-S244 PolarHBondContact O-N 3.49Å; S244-A246 PolarHBondContact O-N 3.22Å; S244-R247 PolarHBondContact O-N 2.77Å
245N50.1Low65.3Low107 Ų10758.6 Ų58.657%0.57233%0.326SS*.THydrogen-bonded Turntrans-54.93.3174.2-72.6-16.3000114.5V243V243-N245 PolarHBondContact O-N 2.82Å
246A59.6Low65.2Low51 Ų5156.9 Ų56.942%0.42132%0.317SS..THydrogen-bonded Turntrans-109.52.4-174.100000114.5S155 S244S155-A246 WeakPolarHBondContact CB-O 3.49Å; S155-A246 PolarHBondContact OG-O 3.29Å; S244-A246 PolarHBondContact O-N 3.22Å
247R71Confident65.1Low63 Ų6358.7 Ų58.724%0.23832%0.321CS..PPolyproline II helixtrans-99.8127.5178.9-75.2-176-178.8172.80.4111.3S244S244-R247 PolarHBondContact O-N 2.77Å
248T79.8Confident64.9Low5 Ų555.4 Ų55.43%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-97.2125.5173.9-54.90000109S155 L157 F158 Q159 Y294S155-T248 WeakPolarHBondContact CB-OG1 3.36Å; L157-T248 PolarHBondContact O-N 3.01Å; F158-T248 WeakPolarHBondContact CA-O 3.41Å; F158-T248 HydrophobicContact CD1-CG2 3.77Å; F158-T248 HydrophobicContact CE1-CG2 3.39Å; F158-T248 HydrophobicContact CZ-CG2 4.09Å; Q159-T248 PolarHBondContact N-O 3.21Å; T248-Y294 HydrophobicContact CG2-CD2 3.43Å; T248-Y294 VanDerWaalsContact CG2-CD2 3.43Å; T248-Y294 HydrophobicContact CG2-CE2 3.4Å
249Y87.4Confident64.4Low18 Ų1856.1 Ų56.17%0.07131%0.313CS..EExtended strand (participates in β ladder)trans-92.6138.9177.1-54.5-73.8000110.3Q159 F161 I232 P290 D292 C293 Y294Q159-Y249 HydrophobicContact CB-CD1 3.97Å; Q159-Y249 HydrophobicContact CB-CE1 4.35Å; F161-Y249 HydrophobicContact CE2-CD1 4.02Å; I232-Y249 HydrophobicContact CB-CD1 4.41Å; I232-Y249 WeakPolarHBondContact O-CE1 3.33Å; Y249-P290 HydrophobicContact CD2-CB 3.56Å; Y249-P290 HydrophobicContact CD2-CG 4.27Å; Y249-P290 HydrophobicContact CE2-CB 3.78Å; Y249-D292 WeakPolarHBondContact CD2-O 3.42Å; Y249-D292 PolarHBondContact N-O 2.92Å; Y249-C293 CarbonylContact O-C 3.59Å; Y249-C293 WeakPolarHBondContact O-CA 3.5Å; Y249-Y294 PolarHBondContact O-N 2.78Å
250C89.5Confident64.2Low0 Ų054.5 Ų54.50%030%0.304CS..EExtended strand (participates in β ladder)trans-133119.3174.7-1700000110.7F158 Q159 W160 F161 Y294F158-C250 HydrophobicContact CD1-CB 4.13Å; Q159-C250 PolarHBondContact O-N 3.37Å; W160-C250 HydrophobicContact CD2-CB 4.38Å; W160-C250 HydrophobicContact CE3-CB 3.57Å; W160-C250 HydrophobicContact CZ3-CB 3.76Å; W160-C250 WeakPolarHBondContact CZ3-SG 3.23Å; F161-C250 PolarHBondContact N-O 3.04Å; C250-Y294 WeakPolarHBondContact CA-O 3.45Å
251L93.6Very high63.8Low1 Ų156.3 Ų56.31%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-101.4121.9175.4-82.584000109.8F161 F163 L228 I232 L272 C293 Y294 F295 S296F161-L251 HydrophobicContact CB-CG 4.18Å; F161-L251 CarbonylContact O-C 3.52Å; F161-L251 WeakPolarHBondContact O-CA 3.48Å; F163-L251 HydrophobicContact CD1-CB 3.67Å; F163-L251 HydrophobicContact CD1-CD2 4.08Å; F163-L251 HydrophobicContact CD1-CG 4.35Å; F163-L251 HydrophobicContact CE1-CB 3.82Å; F163-L251 HydrophobicContact CG-CD2 4.31Å; L228-L251 HydrophobicContact CD1-CD2 4.05Å; L228-L251 HydrophobicContact CD2-CD2 4.22Å; I232-L251 HydrophobicContact CD1-CD1 4.07Å; I232-L251 HydrophobicContact CG2-CD1 4.33Å; L251-L272 HydrophobicContact CD2-CD2 4.47Å; L251-C293 WeakPolarHBondContact CD1-SG 3.2Å; L251-Y294 PolarHBondContact N-O 3.41Å; L251-F295 HydrophobicContact CB-CD1 3.81Å; L251-F295 HydrophobicContact CB-CE1 4.25Å; L251-F295 HydrophobicContact CD1-CD1 4.47Å; L251-F295 HydrophobicContact CD1-CE1 4.11Å; L251-F295 HydrophobicContact CD2-CD1 4.4Å; L251-F295 HydrophobicContact CD2-CE1 4.19Å; L251-F295 HydrophobicContact CG-CD1 4.47Å; L251-F295 HydrophobicContact CG-CE1 4.43Å; L251-F295 CarbonylContact O-C 3.56Å; L251-F295 VanDerWaalsContact O-CA 3.3Å; L251-F295 WeakPolarHBondContact O-CA 3.37Å; L251-S296 PolarHBondContact O-N 2.99Å
252I91.7Very high63.6Low0 Ų057.6 Ų57.60%032%0.322CS..EExtended strand (participates in β ladder)trans-111.1124.6-176.8-54.8166.6000109.5W160 F161 T162 F163 S296 A298 L360 L364 F365 Y393W160-I252 HydrophobicContact CE3-CD1 3.6Å; W160-I252 HydrophobicContact CE3-CG1 4.31Å; W160-I252 HydrophobicContact CZ3-CD1 4.04Å; F161-I252 PolarHBondContact O-N 3.02Å; T162-I252 CarbonylContact C-O 3.59Å; T162-I252 WeakPolarHBondContact CA-O 3.41Å; T162-I252 HydrophobicContact CG2-CB 4.42Å; F163-I252 PolarHBondContact N-O 2.64Å; I252-S296 CarbonylContact C-O 3.58Å; I252-S296 WeakPolarHBondContact CA-O 3.27Å; I252-S296 WeakPolarHBondContact CG1-OG 3.45Å; I252-A298 HydrophobicContact CG2-CB 3.81Å; I252-L360 HydrophobicContact CG2-CD2 4.26Å; I252-L364 HydrophobicContact CD1-CD1 4.16Å; I252-L364 HydrophobicContact CG2-CD1 3.7Å; I252-F365 HydrophobicContact CD1-CE2 3.83Å; I252-F365 HydrophobicContact CD1-CZ 3.66Å; I252-Y393 HydrophobicContact CD1-CE1 4.29Å; I252-Y393 HydrophobicContact CG1-CE1 4.33Å; I252-Y393 VanDerWaalsContact CG2-OH 3.22Å; I252-Y393 WeakPolarHBondContact CG2-OH 3.29Å
253C90.8Very high63.4Low0 Ų061 Ų610%034%0.344CS..EExtended strand (participates in β ladder)trans-107.9171.8164.965.50000110.8F163 D267 D268 S296 A298F163-C253 HydrophobicContact CD1-CB 4.08Å; F163-C253 HydrophobicContact CE1-CB 3.63Å; F163-C253 HydrophobicContact CE2-CB 4.1Å; F163-C253 HydrophobicContact CZ-CB 3.64Å; F163-C253 WeakPolarHBondContact O-CA 3.17Å; F163-C253 WeakPolarHBondContact O-CB 3.34Å; C253-D267 PolarHBondContact SG-OD1 3.34Å; C253-D268 HydrophobicContact CB-CB 3.7Å; C253-S296 PolarHBondContact N-O 2.79Å; C253-A298 PolarHBondContact O-N 2.91Å
254Y84.5Confident63.7Low28 Ų2858.4 Ų58.411%0.1133%0.326CS..  trans-131.2107.8164.4-176.8-92.6000108.6A298 F299 M329 L360Y254-A298 HydrophobicContact CD2-CB 4.22Å; Y254-F299 HydrophobicContact CD2-CB 4.16Å; Y254-F299 HydrophobicContact CE2-CB 3.81Å; Y254-F299 HydrophobicContact CE2-CD2 4.03Å; Y254-F299 HydrophobicContact CE2-CG 4.44Å; Y254-F299 AromaticContact CZ-CD2 3.98Å; Y254-M329 HydrophobicContact CD2-CG 4.45Å; Y254-M329 HydrophobicContact CD2-SD 3.75Å; Y254-M329 HydrophobicContact CE1-CB 3.75Å; Y254-M329 HydrophobicContact CE1-CG 4.31Å; Y254-M329 HydrophobicContact CE1-SD 4.47Å; Y254-M329 HydrophobicContact CE2-CB 4.09Å; Y254-M329 HydrophobicContact CE2-CE 4.15Å; Y254-M329 HydrophobicContact CE2-CG 3.94Å; Y254-M329 HydrophobicContact CE2-SD 3.09Å; Y254-M329 WeakPolarHBondContact CE2-SD 3.38Å; Y254-M329 VanDerWaalsContact CZ-CB 3.47Å; Y254-M329 VanDerWaalsContact CZ-SD 3.53Å; Y254-M329 VanDerWaalsContact OH-CB 3.31Å; Y254-M329 WeakPolarHBondContact OH-CB 3.31Å; Y254-L360 HydrophobicContact CG-CD1 4.46Å
255S79.1Confident64.2Low19 Ų1961.7 Ų61.713%0.13334%0.34CS..  trans-125.5109.3171.3-54.50000107.4D268 N297S255-D268 WeakPolarHBondContact OG-CB 3.5Å; S255-D268 PolarHBondContact OG-N 2.87Å; S255-N297 PolarHBondContact N-OD1 3.47Å; S255-N297 PolarHBondContact O-ND2 3.33Å
256S67.7Low65.1Low15 Ų1558.7 Ų58.711%0.10532%0.322CS..  trans-71.4131.9174.4-172.20000108.5N258 F299 E333S256-N258 PolarHBondContact O-N 3.31Å; S256-F299 VanDerWaalsContact OG-CE2 3.25Å; S256-F299 WeakPolarHBondContact OG-CE2 3.5Å; S256-E333 WeakPolarHBondContact CB-OE2 3.31Å
257N55.9Low66Low107 Ų10757.2 Ų57.257%0.57231%0.307SS*.  trans-79.166165.9-162.334.5000107.8N259 F299N257-N259 PolarHBondContact O-N 3.14Å; N257-F299 HydrophobicContact CB-CE1 4.2Å; N257-F299 HydrophobicContact CB-CZ 4.45Å
258N47.8Very low66.7Low70 Ų7054.7 Ų54.737%0.37430%0.298SS..  trans-65.6109.1170.3-101.7-32.7000106.3S256 N260 E333S256-N258 PolarHBondContact O-N 3.31Å; N258-N260 PolarHBondContact O-N 2.83Å; N258-E333 PolarHBondContact ND2-OE2 2.83Å
259N37.5Very low67.1Low138 Ų13855 Ų5574%0.73830%0.299SS*.  trans-59.421.4176.9-104.2-2.4000114N257 N261N257-N259 PolarHBondContact O-N 3.14Å; N259-N261 PolarHBondContact O-N 2.85Å; N259-N261 VanDerWaalsContact O-N 3.14Å
260N39.7Very low67Low125 Ų12555.1 Ų55.167%0.66830%0.301SS*.  trans-60120163.4-78.2-9.1000106.7N258 N262N258-N260 PolarHBondContact O-N 2.83Å; N260-N262 PolarHBondContact O-N 3.31Å
261N35.7Very low66.9Low164 Ų16455.6 Ų55.688%0.87730%0.303SS*.SBendtrans-54.116.6-172.7-71.3-36.2000116.9N259 S263N259-N261 PolarHBondContact O-N 2.85Å; N259-N261 VanDerWaalsContact O-N 3.14Å; N261-S263 PolarHBondContact O-N 3.02Å
262N40.7Very low66.9Low108 Ų10855.5 Ų55.558%0.57830%0.303SS*.  trans-77.993.7164.4-72.1-10.7000108.5N260 N264 N265N260-N262 PolarHBondContact O-N 3.31Å; N262-N264 PolarHBondContact O-N 3.35Å; N262-N265 PolarHBondContact O-N 3.16Å
263S41Very low66.7Low104 Ų10455.5 Ų55.573%0.72730%0.303SS*.THydrogen-bonded Turntrans-53.72.5176.560.80000116.4N261N261-S263 PolarHBondContact O-N 3.02Å
264N48Very low66.6Low54 Ų5456.5 Ų56.529%0.28931%0.307SS..THydrogen-bonded Turntrans-118.80.2-168.1-70.43.9000114.3N200 N262 F266N200-N264 PolarHBondContact O-ND2 3.44Å; N262-N264 PolarHBondContact O-N 3.35Å; N264-F266 VanDerWaalsContact O-CD2 3.26Å; N264-F266 WeakPolarHBondContact O-CD2 3.04Å; N264-F266 PolarHBondContact O-N 2.81Å; N264-F266 VanDerWaalsContact O-N 3.08Å
265N58Low66.9Low119 Ų11955.2 Ų55.264%0.63630%0.301SS*.  trans-8385.9173.4-126.318.6000109.4N262N262-N265 PolarHBondContact O-N 3.16Å
266F67.6Low67.3Low44 Ų4454.4 Ų54.419%0.19330%0.296CS..  trans-72.6153174.8-63.7-82.1000111M199 N264 I270 Y271 R274M199-F266 HydrophobicContact CE-CD2 3.23Å; M199-F266 HydrophobicContact CE-CE2 3.49Å; M199-F266 VanDerWaalsContact CE-CE2 3.49Å; M199-F266 HydrophobicContact CE-CG 4.23Å; M199-F266 HydrophobicContact SD-CD2 4.25Å; M199-F266 HydrophobicContact SD-CE2 3.91Å; N264-F266 VanDerWaalsContact O-CD2 3.26Å; N264-F266 WeakPolarHBondContact O-CD2 3.04Å; N264-F266 PolarHBondContact O-N 2.81Å; N264-F266 VanDerWaalsContact O-N 3.08Å; F266-I270 HydrophobicContact CB-CB 4.07Å; F266-I270 HydrophobicContact CB-CD1 4.17Å; F266-I270 HydrophobicContact CB-CG2 4.07Å; F266-I270 HydrophobicContact CD1-CD1 3.91Å; F266-I270 HydrophobicContact CD1-CG2 3.98Å; F266-I270 HydrophobicContact CG-CG2 4.21Å; F266-Y271 HydrophobicContact CB-CD2 4.44Å; F266-Y271 HydrophobicContact CB-CE2 3.91Å; F266-Y271 VanDerWaalsContact O-CE2 3.23Å; F266-Y271 WeakPolarHBondContact O-CE2 3.39Å; F266-R274 VanDerWaalsContact CE2-NH2 3.35Å
267D78.6Confident68.2Low20 Ų2054.6 Ų54.611%0.10729%0.294CS..  trans-59.3142.6168.1-173.8-24.5000110.4C253 I269 I270 Y271 N297C253-D267 PolarHBondContact SG-OD1 3.34Å; D267-I269 PolarHBondContact O-N 3.3Å; D267-I269 VanDerWaalsContact O-N 3.15Å; D267-I269 PolarHBondContact OD1-N 3.41Å; D267-I270 HydrophobicContact CB-CD1 4.14Å; D267-I270 HydrophobicContact CB-CG1 4.16Å; D267-I270 WeakPolarHBondContact O-CA 3.39Å; D267-I270 VanDerWaalsContact O-CB 3.28Å; D267-I270 WeakPolarHBondContact O-CB 3.46Å; D267-I270 PolarHBondContact O-N 2.77Å; D267-Y271 WeakPolarHBondContact O-CD2 3.13Å; D267-Y271 PolarHBondContact O-N 2.94Å; D267-N297 VanDerWaalsContact CG-ND2 3.31Å; D267-N297 PolarHBondContact OD1-ND2 2.78Å; D267-N297 PolarHBondContact OD2-ND2 3.06Å
268D86.5Confident69.6Low10 Ų1052.5 Ų52.55%0.05329%0.288CS..Hα-helixtrans-53.2-29.5171-76.8-9.1000113.2F163 S164 F165 C253 S255 I270 Y271 L272F163-D268 HydrophobicContact CE2-CB 3.96Å; F163-D268 HydrophobicContact CZ-CB 4.41Å; S164-D268 VanDerWaalsContact CA-OD2 3.22Å; S164-D268 WeakPolarHBondContact CA-OD2 3.45Å; F165-D268 HydrophobicContact CD2-CB 4.24Å; F165-D268 PolarHBondContact N-OD2 3.11Å; F165-D268 VanDerWaalsContact N-OD2 3.11Å; C253-D268 HydrophobicContact CB-CB 3.7Å; S255-D268 WeakPolarHBondContact OG-CB 3.5Å; S255-D268 PolarHBondContact OG-N 2.87Å; D268-I270 VanDerWaalsContact C-N 3.31Å; D268-I270 PolarHBondContact O-N 3.48Å; D268-Y271 PolarHBondContact O-N 2.97Å; D268-L272 WeakPolarHBondContact O-CB 3.49Å; D268-L272 PolarHBondContact O-N 2.9Å
269I87.6Confident71.3Confident10 Ų1049.4 Ų49.45%0.05127%0.271CS..Hα-helixtrans-59.5-40169.2-72-176.6000111.8D267 L272 S273 N297 K400 W404 M405D267-I269 PolarHBondContact O-N 3.3Å; D267-I269 VanDerWaalsContact O-N 3.15Å; D267-I269 PolarHBondContact OD1-N 3.41Å; I269-L272 PolarHBondContact O-N 3.39Å; I269-S273 WeakPolarHBondContact O-CB 3.14Å; I269-S273 PolarHBondContact O-N 3.19Å; I269-N297 HydrophobicContact CD1-CB 3.8Å; I269-K400 HydrophobicContact CG2-CG 4.4Å; I269-W404 HydrophobicContact CG2-CZ3 4.11Å; I269-M405 HydrophobicContact CB-CE 4.42Å; I269-M405 HydrophobicContact CG2-CE 3.62Å; I269-M405 HydrophobicContact CG2-SD 4.08Å
270I85.5Confident73.3Confident21 Ų2145.2 Ų45.211%0.10825%0.245CC..Hα-helixtrans-70.9-41.7-179.9-62.8172.1000109.8F266 D267 D268 L272 S273 R274F266-I270 HydrophobicContact CB-CB 4.07Å; F266-I270 HydrophobicContact CB-CD1 4.17Å; F266-I270 HydrophobicContact CB-CG2 4.07Å; F266-I270 HydrophobicContact CD1-CD1 3.91Å; F266-I270 HydrophobicContact CD1-CG2 3.98Å; F266-I270 HydrophobicContact CG-CG2 4.21Å; D267-I270 HydrophobicContact CB-CD1 4.14Å; D267-I270 HydrophobicContact CB-CG1 4.16Å; D267-I270 WeakPolarHBondContact O-CA 3.39Å; D267-I270 VanDerWaalsContact O-CB 3.28Å; D267-I270 WeakPolarHBondContact O-CB 3.46Å; D267-I270 PolarHBondContact O-N 2.77Å; D268-I270 VanDerWaalsContact C-N 3.31Å; D268-I270 PolarHBondContact O-N 3.48Å; I270-L272 VanDerWaalsContact C-N 3.33Å; I270-L272 PolarHBondContact O-N 3.2Å; I270-S273 WeakPolarHBondContact O-CB 3.02Å; I270-S273 PolarHBondContact O-N 2.56Å; I270-R274 WeakPolarHBondContact O-CG 3.41Å; I270-R274 PolarHBondContact O-N 3.43Å
271Y88.4Confident75.1Confident10 Ų1044.4 Ų44.44%0.03924%0.237CC..Hα-helixtrans-59.7-44.6173.1-69.7-65.8000111.4F165 F167 F196 M199 F266 D267 D268 R274 L275F165-Y271 HydrophobicContact CB-CD2 4.31Å; F165-Y271 HydrophobicContact CB-CG 4.45Å; F165-Y271 HydrophobicContact CG-CG 4.44Å; F167-Y271 HydrophobicContact CE1-CE1 4.27Å; F167-Y271 HydrophobicContact CE2-CD1 4.13Å; F167-Y271 HydrophobicContact CE2-CD2 4.25Å; F167-Y271 AromaticContact CE2-CE1 3.64Å; F167-Y271 HydrophobicContact CE2-CE1 3.64Å; F167-Y271 AromaticContact CE2-CE2 3.83Å; F167-Y271 HydrophobicContact CE2-CE2 3.83Å; F167-Y271 HydrophobicContact CE2-CG 4.41Å; F167-Y271 AromaticContact CE2-CZ 3.53Å; F167-Y271 AromaticContact CZ-CD1 3.64Å; F167-Y271 HydrophobicContact CZ-CD1 3.64Å; F167-Y271 AromaticContact CZ-CE1 3.26Å; F167-Y271 HydrophobicContact CZ-CE1 3.26Å; F167-Y271 HydrophobicContact CZ-CE2 4.3Å; F167-Y271 HydrophobicContact CZ-CG 4.28Å; F167-Y271 AromaticContact CZ-CZ 3.69Å; F196-Y271 HydrophobicContact CE1-CD1 4.38Å; F196-Y271 WeakPolarHBondContact CE1-O 2.9Å; F196-Y271 HydrophobicContact CE2-CD1 4.32Å; F196-Y271 HydrophobicContact CZ-CD1 4.11Å; M199-Y271 HydrophobicContact CE-CD1 3.97Å; M199-Y271 HydrophobicContact CE-CE1 3.14Å; F266-Y271 HydrophobicContact CB-CD2 4.44Å; F266-Y271 HydrophobicContact CB-CE2 3.91Å; F266-Y271 VanDerWaalsContact O-CE2 3.23Å; F266-Y271 WeakPolarHBondContact O-CE2 3.39Å; D267-Y271 WeakPolarHBondContact O-CD2 3.13Å; D267-Y271 PolarHBondContact O-N 2.94Å; D268-Y271 PolarHBondContact O-N 2.97Å; Y271-R274 PolarHBondContact O-N 3.41Å; Y271-L275 PolarHBondContact O-N 2.99Å
272L91.7Very high77.2Confident0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-63-44.4175.1-170.957000112.1F163 F165 L225 L228 L251 D268 I269 I270 R274 L275 I276 F295 M405F163-L272 HydrophobicContact CE1-CD2 4.42Å; F163-L272 HydrophobicContact CE2-CB 4.18Å; F163-L272 HydrophobicContact CE2-CD2 3.92Å; F163-L272 HydrophobicContact CZ-CB 4.5Å; F163-L272 HydrophobicContact CZ-CD2 3.81Å; F165-L272 HydrophobicContact CE2-CB 3.92Å; F165-L272 HydrophobicContact CE2-CD1 4.34Å; F165-L272 HydrophobicContact CZ-CB 4.43Å; F165-L272 HydrophobicContact CZ-CD1 4.28Å; L225-L272 HydrophobicContact CD1-CD1 4.27Å; L228-L272 HydrophobicContact CD2-CD1 4.11Å; L251-L272 HydrophobicContact CD2-CD2 4.47Å; D268-L272 WeakPolarHBondContact O-CB 3.49Å; D268-L272 PolarHBondContact O-N 2.9Å; I269-L272 PolarHBondContact O-N 3.39Å; I270-L272 VanDerWaalsContact C-N 3.33Å; I270-L272 PolarHBondContact O-N 3.2Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 3.08Å; L272-L275 WeakPolarHBondContact O-CB 3.47Å; L272-L275 PolarHBondContact O-N 3.49Å; L272-L275 VanDerWaalsContact O-N 3.16Å; L272-I276 HydrophobicContact CD1-CD1 4.46Å; L272-I276 HydrophobicContact CG-CD1 4.04Å; L272-I276 WeakPolarHBondContact O-CG1 3.44Å; L272-I276 PolarHBondContact O-N 2.9Å; L272-F295 HydrophobicContact CD2-CD1 3.35Å; L272-F295 HydrophobicContact CD2-CE1 3.5Å; L272-F295 HydrophobicContact CD2-CG 4.28Å; L272-M405 HydrophobicContact CD2-CE 4.4Å
273S88.6Confident79Confident0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-54.9-47.1174.3171.10000111.2I269 I270 L275 I276 R277 M405I269-S273 WeakPolarHBondContact O-CB 3.14Å; I269-S273 PolarHBondContact O-N 3.19Å; I270-S273 WeakPolarHBondContact O-CB 3.02Å; I270-S273 PolarHBondContact O-N 2.56Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L275 PolarHBondContact O-N 3.5Å; S273-I276 PolarHBondContact O-N 3.45Å; S273-R277 WeakPolarHBondContact O-CB 3.36Å; S273-R277 VanDerWaalsContact O-CG 3.26Å; S273-R277 WeakPolarHBondContact O-CG 3.35Å; S273-R277 PolarHBondContact O-N 3.25Å; S273-R277 PolarHBondContact O-NE 3Å; S273-R277 PolarHBondContact OG-NE 3.12Å; S273-M405 VanDerWaalsContact CB-SD 3.55Å; S273-M405 PolarHBondContact OG-O 3.31Å
274R88.3Confident80.9Confident21 Ų2138.6 Ų38.68%0.07920%0.199CC..Hα-helixtrans-61.7-43.5177.9-73.9179.6-173.9-177.625.5111.5D103 F196 M199 F266 I270 Y271 L272 R277 S278D103-R274 IonicContact OD1-CZ 2.93Å; D103-R274 IonicContact OD1-NE 3.62Å; D103-R274 PolarHBondContact OD1-NE 3Å; D103-R274 IonicContact OD1-NH2 2.69Å; D103-R274 PolarHBondContact OD1-NH2 3.47Å; D103-R274 VanDerWaalsContact OD1-NH2 3.11Å; D103-R274 IonicContact OD2-CZ 2.91Å; D103-R274 IonicContact OD2-NE 3.12Å; D103-R274 PolarHBondContact OD2-NE 3.17Å; D103-R274 IonicContact OD2-NH1 3.67Å; D103-R274 IonicContact OD2-NH2 2.78Å; D103-R274 PolarHBondContact OD2-NH2 3.22Å; F196-R274 HydrophobicContact CD1-CB 3.93Å; F196-R274 HydrophobicContact CE1-CB 3.88Å; M199-R274 PolarHBondContact SD-NH1 2.91Å; F266-R274 VanDerWaalsContact CE2-NH2 3.35Å; I270-R274 WeakPolarHBondContact O-CG 3.41Å; I270-R274 PolarHBondContact O-N 3.43Å; Y271-R274 PolarHBondContact O-N 3.41Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 3.08Å; R274-R277 PolarHBondContact O-N 2.95Å; R274-S278 WeakPolarHBondContact O-CB 3.44Å; R274-S278 PolarHBondContact O-N 3.17Å; R274-S278 PolarHBondContact O-OG 2.88Å
275L90.3Very high82.6Confident0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-61.5-46.2178-171.363.7000111.2F165 W195 F196 P221 L225 Y271 L272 S273 R277 S278 T279F165-L275 HydrophobicContact CE1-CD2 4.34Å; F165-L275 HydrophobicContact CZ-CD2 4.1Å; W195-L275 HydrophobicContact CD2-CD1 4.31Å; W195-L275 HydrophobicContact CE3-CD1 4.31Å; W195-L275 HydrophobicContact CG-CD1 4.49Å; F196-L275 HydrophobicContact CE1-CB 4.48Å; P221-L275 HydrophobicContact CB-CD1 3.49Å; P221-L275 VanDerWaalsContact CB-CD1 3.49Å; L225-L275 HydrophobicContact CB-CD2 4.38Å; L225-L275 HydrophobicContact CB-CG 4.42Å; L225-L275 HydrophobicContact CD1-CD2 4.2Å; L225-L275 HydrophobicContact CD1-CG 4.48Å; Y271-L275 PolarHBondContact O-N 2.99Å; L272-L275 WeakPolarHBondContact O-CB 3.47Å; L272-L275 PolarHBondContact O-N 3.49Å; L272-L275 VanDerWaalsContact O-N 3.16Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L275 PolarHBondContact O-N 3.5Å; L275-R277 PolarHBondContact O-N 2.75Å; L275-S278 PolarHBondContact O-N 2.94Å; L275-S278 PolarHBondContact O-OG 3.44Å; L275-T279 WeakPolarHBondContact O-CG2 3.38Å; L275-T279 PolarHBondContact O-N 2.65Å; L275-T279 PolarHBondContact O-OG1 3.36Å
276I89.2Confident83.7Confident2 Ų234 Ų341%0.0117%0.169CC..Hα-helixtrans-58.9-48.7174.6-67.2168.3000110.8L225 W229 L272 S273 S278 T279 R280 F295 I402 M405 E406L225-I276 HydrophobicContact CD1-CG1 4.23Å; L225-I276 HydrophobicContact CD2-CB 4.41Å; L225-I276 HydrophobicContact CD2-CG1 3.95Å; W229-I276 HydrophobicContact CH2-CD1 4.2Å; W229-I276 HydrophobicContact CZ2-CD1 4.16Å; W229-I276 HydrophobicContact CZ2-CG1 4.1Å; L272-I276 HydrophobicContact CD1-CD1 4.46Å; L272-I276 HydrophobicContact CG-CD1 4.04Å; L272-I276 WeakPolarHBondContact O-CG1 3.44Å; L272-I276 PolarHBondContact O-N 2.9Å; S273-I276 PolarHBondContact O-N 3.45Å; I276-S278 VanDerWaalsContact C-N 3.34Å; I276-S278 PolarHBondContact O-N 3.27Å; I276-T279 PolarHBondContact O-N 3.14Å; I276-T279 PolarHBondContact O-OG1 2.98Å; I276-R280 WeakPolarHBondContact O-CB 3.26Å; I276-R280 PolarHBondContact O-N 3.47Å; I276-F295 HydrophobicContact CD1-CZ 4.38Å; I276-I402 HydrophobicContact CG2-CG2 4.49Å; I276-M405 HydrophobicContact CD1-CB 4.06Å; I276-M405 HydrophobicContact CD1-CG 4.02Å; I276-E406 HydrophobicContact CG2-CG 4.17Å
277R84.9Confident84.2Confident20 Ų2036.7 Ų36.78%0.07519%0.193CC..Hα-helixtrans-63.7-37.2-178.8-73.6-177.3-74.2130.1-20.2113.2D103 S273 R274 L275 T279 R280 I409D103-R277 IonicContact OD1-NH2 3.06Å; D103-R277 PolarHBondContact OD1-NH2 2.75Å; S273-R277 WeakPolarHBondContact O-CB 3.36Å; S273-R277 VanDerWaalsContact O-CG 3.26Å; S273-R277 WeakPolarHBondContact O-CG 3.35Å; S273-R277 PolarHBondContact O-N 3.25Å; S273-R277 PolarHBondContact O-NE 3Å; S273-R277 PolarHBondContact OG-NE 3.12Å; R274-R277 PolarHBondContact O-N 2.95Å; L275-R277 PolarHBondContact O-N 2.75Å; R277-T279 VanDerWaalsContact C-N 3.34Å; R277-R280 WeakPolarHBondContact O-CG 3.26Å; R277-R280 PolarHBondContact O-NH1 3.33Å; R277-I409 HydrophobicContact CG-CB 4.42Å; R277-I409 HydrophobicContact CG-CG2 3.89Å
278S85.1Confident84.4Confident62 Ų6236.5 Ų36.543%0.43419%0.194SC..Hα-helixtrans-71-30.3179.7720000112.6R274 L275 I276R274-S278 WeakPolarHBondContact O-CB 3.44Å; R274-S278 PolarHBondContact O-N 3.17Å; R274-S278 PolarHBondContact O-OG 2.88Å; L275-S278 PolarHBondContact O-N 2.94Å; L275-S278 PolarHBondContact O-OG 3.44Å; I276-S278 VanDerWaalsContact C-N 3.34Å; I276-S278 PolarHBondContact O-N 3.27Å
279T85.4Confident84.3Confident5 Ų537.1 Ų37.13%0.03120%0.197CC..Hα-helixtrans-102.81.2-176.257.60000113.5P221 T222 L225 L275 I276 R277 H281 S282P221-T279 HydrophobicContact CB-CG2 3.87Å; P221-T279 HydrophobicContact CG-CG2 4.47Å; T222-T279 HydrophobicContact CG2-CG2 3.88Å; L225-T279 WeakPolarHBondContact CD2-OG1 3.21Å; L275-T279 WeakPolarHBondContact O-CG2 3.38Å; L275-T279 PolarHBondContact O-N 2.65Å; L275-T279 PolarHBondContact O-OG1 3.36Å; I276-T279 PolarHBondContact O-N 3.14Å; I276-T279 PolarHBondContact O-OG1 2.98Å; R277-T279 VanDerWaalsContact C-N 3.34Å; T279-H281 PolarHBondContact O-N 3.49Å; T279-S282 VanDerWaalsContact O-CB 3.27Å; T279-S282 WeakPolarHBondContact O-CB 3.27Å; T279-S282 PolarHBondContact O-N 3.34Å
280R77.7Confident84Confident50 Ų5037 Ų3719%0.18920%0.197CC..THydrogen-bonded Turntrans-55.2-23.1-172.679.7175.9-175.5-91.27.3116.1I276 R277 R286 I409I276-R280 WeakPolarHBondContact O-CB 3.26Å; I276-R280 PolarHBondContact O-N 3.47Å; R277-R280 WeakPolarHBondContact O-CG 3.26Å; R277-R280 PolarHBondContact O-NH1 3.33Å; R280-R286 PolarHBondContact O-NE 3.2Å; R280-R286 PolarHBondContact O-NH2 3.39Å; R280-I409 VanDerWaalsContact CZ-CG1 3.42Å
281H77.9Confident83.3Confident108 Ų10840.8 Ų40.850%0.521%0.214SC..THydrogen-bonded Turntrans-91.6-4.4-179.5-58.3-59000113.2M1 T279 N283M1-H281 HydrophobicContact CE-CB 4.44Å; T279-H281 PolarHBondContact O-N 3.49Å; H281-N283 PolarHBondContact O-N 3.17Å
282S80.1Confident82.7Confident27 Ų2741 Ų4119%0.18922%0.216CC..  trans-81.1113.9178.7179.30000110.3T279 I284 V285 R286T279-S282 VanDerWaalsContact O-CB 3.27Å; T279-S282 WeakPolarHBondContact O-CB 3.27Å; T279-S282 PolarHBondContact O-N 3.34Å; S282-I284 PolarHBondContact O-N 3.26Å; S282-V285 PolarHBondContact O-N 3.4Å; S282-R286 WeakPolarHBondContact O-CG 3.25Å; S282-R286 PolarHBondContact O-N 3.19Å
283N78.4Confident82.4Confident136 Ų13641.2 Ų41.273%0.72722%0.217SC*.Hα-helixtrans-58.2-38.4177.1-70.9-11.4000112.1H281 V285 R286 S287H281-N283 PolarHBondContact O-N 3.17Å; N283-V285 VanDerWaalsContact C-N 3.34Å; N283-V285 PolarHBondContact O-N 3.36Å; N283-R286 PolarHBondContact O-N 3.26Å; N283-S287 WeakPolarHBondContact O-CB 3.49Å; N283-S287 PolarHBondContact O-N 3.08Å; N283-S287 PolarHBondContact O-OG 3.19Å; N283-S287 VanDerWaalsContact O-OG 3.14Å
284I81.6Confident82.4Confident91 Ų9142.7 Ų42.747%0.46722%0.223SC..Hα-helixtrans-61.8-44179.4-64.3166.8000110.5H226 S282 S287 A288H226-I284 HydrophobicContact CB-CG2 4.27Å; H226-I284 WeakPolarHBondContact CD2-CG2 3.39Å; H226-I284 PolarHBondContact CD2-O 2.94Å; H226-I284 VanDerWaalsContact CD2-O 3.29Å; S282-I284 PolarHBondContact O-N 3.26Å; I284-S287 PolarHBondContact O-OG 2.86Å; I284-A288 PolarHBondContact O-N 3.38Å
285V82.9Confident82.5Confident2 Ų241.7 Ų41.71%0.01222%0.219CC..Hα-helixtrans-65.3-44.5176.4172.20000110.3T222 L225 H226 S282 N283 S287 A288 Q289T222-V285 VanDerWaalsContact O-CG2 3.23Å; T222-V285 WeakPolarHBondContact O-CG2 3.33Å; L225-V285 HydrophobicContact CB-CG1 4.44Å; L225-V285 HydrophobicContact CD2-CG1 3.63Å; L225-V285 HydrophobicContact CG-CG1 4.04Å; H226-V285 HydrophobicContact CB-CG2 4.21Å; S282-V285 PolarHBondContact O-N 3.4Å; N283-V285 VanDerWaalsContact C-N 3.34Å; N283-V285 PolarHBondContact O-N 3.36Å; V285-S287 PolarHBondContact O-N 3.01Å; V285-A288 PolarHBondContact O-N 2.76Å; V285-Q289 WeakPolarHBondContact O-CB 3.23Å; V285-Q289 PolarHBondContact O-N 3.31Å; V285-Q289 VanDerWaalsContact O-N 3.1Å
286R81.7Confident82.5Confident76 Ų7641.7 Ų41.729%0.28722%0.219SC..Hα-helixtrans-66.6-33.3-178.5-69.4-57.7-164.8173.97.4113.6R280 S282 N283 A288 E406R280-R286 PolarHBondContact O-NE 3.2Å; R280-R286 PolarHBondContact O-NH2 3.39Å; S282-R286 WeakPolarHBondContact O-CG 3.25Å; S282-R286 PolarHBondContact O-N 3.19Å; N283-R286 PolarHBondContact O-N 3.26Å; R286-A288 VanDerWaalsContact C-N 3.32Å; R286-E406 IonicContact CZ-OE1 3.41Å; R286-E406 IonicContact NH1-OE1 3.85Å; R286-E406 PolarHBondContact NH1-OE1 2.78Å; R286-E406 IonicContact NH1-OE2 2.68Å; R286-E406 IonicContact NH2-OE1 3.97Å; R286-E406 PolarHBondContact NH2-OE1 2.96Å; R286-E406 IonicContact NH2-OE2 2.77Å
287S78.2Confident82.4Confident99 Ų9941.6 Ų41.669%0.69222%0.219SC*.Hα-helixtrans-71.6-27.6179550000113.1N283 I284 V285N283-S287 WeakPolarHBondContact O-CB 3.49Å; N283-S287 PolarHBondContact O-N 3.08Å; N283-S287 PolarHBondContact O-OG 3.19Å; N283-S287 VanDerWaalsContact O-OG 3.14Å; I284-S287 PolarHBondContact O-OG 2.86Å; V285-S287 PolarHBondContact O-N 3.01Å
288A83.4Confident82.5Confident17 Ų1740.7 Ų40.714%0.1422%0.215CC..Hα-helixtrans-92-17.9177.600000113.1W229 L230 I284 V285 R286W229-A288 HydrophobicContact CB-CB 3.85Å; W229-A288 WeakPolarHBondContact CB-O 3.43Å; L230-A288 HydrophobicContact CD2-CB 4.14Å; L230-A288 HydrophobicContact CG-CB 4.27Å; I284-A288 PolarHBondContact O-N 3.38Å; V285-A288 PolarHBondContact O-N 2.76Å; R286-A288 VanDerWaalsContact C-N 3.32Å
289Q83Confident82.5Confident23 Ų2339.1 Ų39.111%0.10720%0.201CC..  trans-61.3127.1-173.4-174.7-170.1-51.800111.5W229 V285 I402W229-Q289 HydrophobicContact CG-CB 4.44Å; W229-Q289 HydrophobicContact CZ2-CG 4.35Å; V285-Q289 WeakPolarHBondContact O-CB 3.23Å; V285-Q289 PolarHBondContact O-N 3.31Å; V285-Q289 VanDerWaalsContact O-N 3.1Å; Q289-I402 HydrophobicContact CG-CD1 3.69Å; Q289-I402 VanDerWaalsContact NE2-CD1 3.29Å
290P81.4Confident82.5Confident8 Ų843.2 Ų43.25%0.05222%0.216CC..  trans-66.4148.517530.8-39.3000111.6W229 I232 Y249 C293 I402W229-P290 HydrophobicContact CE3-CG 4.39Å; I232-P290 HydrophobicContact CD1-CG 3.71Å; Y249-P290 HydrophobicContact CD2-CB 3.56Å; Y249-P290 HydrophobicContact CD2-CG 4.27Å; Y249-P290 HydrophobicContact CE2-CB 3.78Å; P290-C293 HydrophobicContact CG-CB 3.79Å; P290-I402 VanDerWaalsContact O-CD1 3.29Å; P290-I402 WeakPolarHBondContact O-CD1 3.34Å
291H71.1Confident82.7Confident99 Ų9940.8 Ų40.846%0.45821%0.207SC..SBendtrans-70.3-48.3174.3-67.1-63.2000111.7N148N148-H291 PolarHBondContact OD1-ND1 3.02Å
292D76.6Confident82.9Confident15 Ų1535.9 Ų35.98%0.0819%0.185CC..SBendtrans-10996.1-177.7-67.7-45.7000112.4P150 C151 Y249P150-D292 WeakPolarHBondContact CA-OD1 3.28Å; C151-D292 WeakPolarHBondContact CB-OD2 3.4Å; C151-D292 PolarHBondContact N-OD1 3.23Å; C151-D292 PolarHBondContact SG-OD2 3.43Å; Y249-D292 WeakPolarHBondContact CD2-O 3.42Å; Y249-D292 PolarHBondContact N-O 2.92Å
293C85.2Confident82.9Confident4 Ų436.5 Ų36.53%0.02719%0.186CC..EExtended strand (participates in β ladder)trans-134.4127.3177-165.10000110.9Y249 L251 P290 F295 I402Y249-C293 CarbonylContact O-C 3.59Å; Y249-C293 WeakPolarHBondContact O-CA 3.5Å; L251-C293 WeakPolarHBondContact CD1-SG 3.2Å; P290-C293 HydrophobicContact CG-CB 3.79Å; C293-F295 HydrophobicContact CB-CE2 4.34Å; C293-F295 HydrophobicContact CB-CZ 4.07Å; C293-F295 WeakPolarHBondContact SG-CZ 3.32Å; C293-I402 HydrophobicContact CB-CD1 4Å; C293-I402 HydrophobicContact CB-CG1 4.21Å
294Y87.6Confident82.8Confident31 Ų3132.9 Ų32.912%0.12217%0.168CC..EExtended strand (participates in β ladder)trans-105.4147.9173.7-65.5-90.6000110.2F158 T248 Y249 C250 L251 L394 A399 K400 T401F158-Y294 HydrophobicContact CE1-CD2 4.4Å; T248-Y294 HydrophobicContact CG2-CD2 3.43Å; T248-Y294 VanDerWaalsContact CG2-CD2 3.43Å; T248-Y294 HydrophobicContact CG2-CE2 3.4Å; Y249-Y294 PolarHBondContact O-N 2.78Å; C250-Y294 WeakPolarHBondContact CA-O 3.45Å; L251-Y294 PolarHBondContact N-O 3.41Å; Y294-L394 HydrophobicContact CD1-CD1 4.4Å; Y294-L394 HydrophobicContact CD1-CD2 4.5Å; Y294-L394 HydrophobicContact CG-CD1 4.4Å; Y294-L394 HydrophobicContact CG-CD2 4.32Å; Y294-A399 HydrophobicContact CD1-CB 4.36Å; Y294-K400 CarbonylContact C-O 3.54Å; Y294-K400 WeakPolarHBondContact CA-O 3.4Å; Y294-T401 HydrophobicContact CD1-CG2 4.13Å; Y294-T401 HydrophobicContact CE1-CG2 3.93Å
295F90.8Very high82.4Confident0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-128.7124.1177.3-51.3-83.4000108.3W229 L251 L272 I276 C293 A399 K400 I402 M405W229-F295 HydrophobicContact CH2-CE1 4.07Å; W229-F295 AromaticContact CH2-CZ 3.8Å; W229-F295 HydrophobicContact CH2-CZ 3.8Å; W229-F295 HydrophobicContact CZ3-CE1 4.32Å; W229-F295 HydrophobicContact CZ3-CZ 4.31Å; L251-F295 HydrophobicContact CB-CD1 3.81Å; L251-F295 HydrophobicContact CB-CE1 4.25Å; L251-F295 HydrophobicContact CD1-CD1 4.47Å; L251-F295 HydrophobicContact CD1-CE1 4.11Å; L251-F295 HydrophobicContact CD2-CD1 4.4Å; L251-F295 HydrophobicContact CD2-CE1 4.19Å; L251-F295 HydrophobicContact CG-CD1 4.47Å; L251-F295 HydrophobicContact CG-CE1 4.43Å; L251-F295 CarbonylContact O-C 3.56Å; L251-F295 VanDerWaalsContact O-CA 3.3Å; L251-F295 WeakPolarHBondContact O-CA 3.37Å; L272-F295 HydrophobicContact CD2-CD1 3.35Å; L272-F295 HydrophobicContact CD2-CE1 3.5Å; L272-F295 HydrophobicContact CD2-CG 4.28Å; I276-F295 HydrophobicContact CD1-CZ 4.38Å; C293-F295 HydrophobicContact CB-CE2 4.34Å; C293-F295 HydrophobicContact CB-CZ 4.07Å; C293-F295 WeakPolarHBondContact SG-CZ 3.32Å; F295-A399 CarbonylContact O-C 3.59Å; F295-A399 WeakPolarHBondContact O-CA 3.41Å; F295-K400 HydrophobicContact CB-CB 4.49Å; F295-K400 WeakPolarHBondContact CD2-O 3.48Å; F295-K400 PolarHBondContact N-O 3.31Å; F295-K400 PolarHBondContact O-N 3.2Å; F295-I402 HydrophobicContact CE2-CG1 3.64Å; F295-I402 HydrophobicContact CZ-CG1 3.93Å; F295-M405 HydrophobicContact CB-CE 3.41Å; F295-M405 VanDerWaalsContact CB-CE 3.41Å; F295-M405 HydrophobicContact CD1-CE 4.05Å; F295-M405 HydrophobicContact CD2-CE 3.47Å; F295-M405 VanDerWaalsContact CD2-CE 3.47Å; F295-M405 HydrophobicContact CD2-CG 4.06Å; F295-M405 HydrophobicContact CE2-CE 4.27Å; F295-M405 HydrophobicContact CE2-CG 4.18Å; F295-M405 HydrophobicContact CG-CE 3.35Å
296S89.4Confident81.7Confident0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-131.8144.9-177.6580000111.3L251 I252 C253 Y393 S397L251-S296 PolarHBondContact O-N 2.99Å; I252-S296 CarbonylContact C-O 3.58Å; I252-S296 WeakPolarHBondContact CA-O 3.27Å; I252-S296 WeakPolarHBondContact CG1-OG 3.45Å; C253-S296 PolarHBondContact N-O 2.79Å; S296-Y393 WeakPolarHBondContact OG-CE1 3.36Å; S296-Y393 PolarHBondContact OG-OH 2.78Å; S296-S397 WeakPolarHBondContact CB-OG 3.48Å
297N88.8Confident80.9Confident1 Ų132.6 Ų32.61%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-100.8115.4167.7-179-8.6000106.7S255 D267 I269 F299 Y300S255-N297 PolarHBondContact N-OD1 3.47Å; S255-N297 PolarHBondContact O-ND2 3.33Å; D267-N297 VanDerWaalsContact CG-ND2 3.31Å; D267-N297 PolarHBondContact OD1-ND2 2.78Å; D267-N297 PolarHBondContact OD2-ND2 3.06Å; I269-N297 HydrophobicContact CD1-CB 3.8Å; N297-F299 PolarHBondContact O-N 3.33Å; N297-F299 WeakPolarHBondContact OD1-CB 3.33Å; N297-F299 PolarHBondContact OD1-N 2.85Å; N297-Y300 HydrophobicContact CB-CD2 3.84Å; N297-Y300 HydrophobicContact CB-CE2 3.88Å; N297-Y300 PolarHBondContact O-N 2.9Å
298A87.2Confident80.1Confident0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-60.3-25.3-178.100000112.6I252 C253 Y254 Y300 A301 L302 L360 L364I252-A298 HydrophobicContact CG2-CB 3.81Å; C253-A298 PolarHBondContact O-N 2.91Å; Y254-A298 HydrophobicContact CD2-CB 4.22Å; A298-Y300 VanDerWaalsContact C-N 3.28Å; A298-Y300 PolarHBondContact O-N 3.17Å; A298-A301 PolarHBondContact O-N 2.78Å; A298-L302 HydrophobicContact CB-CD1 4.22Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 WeakPolarHBondContact O-CG 3.33Å; A298-L302 PolarHBondContact O-N 2.87Å; A298-L360 HydrophobicContact CB-CD1 4.2Å; A298-L364 HydrophobicContact CB-CD1 3.84Å; A298-L364 HydrophobicContact CB-CD2 4.28Å
299F84.7Confident78.7Confident30 Ų3030 Ų3013%0.13215%0.154CC..Hα-helixtrans-51.8-44.6176.3177.8-102.9000112.6Y254 S256 N257 N297 N303Y254-F299 HydrophobicContact CD2-CB 4.16Å; Y254-F299 HydrophobicContact CE2-CB 3.81Å; Y254-F299 HydrophobicContact CE2-CD2 4.03Å; Y254-F299 HydrophobicContact CE2-CG 4.44Å; Y254-F299 AromaticContact CZ-CD2 3.98Å; S256-F299 VanDerWaalsContact OG-CE2 3.25Å; S256-F299 WeakPolarHBondContact OG-CE2 3.5Å; N257-F299 HydrophobicContact CB-CE1 4.2Å; N257-F299 HydrophobicContact CB-CZ 4.45Å; N297-F299 PolarHBondContact O-N 3.33Å; N297-F299 WeakPolarHBondContact OD1-CB 3.33Å; N297-F299 PolarHBondContact OD1-N 2.85Å; F299-N303 WeakPolarHBondContact CD2-ND2 3.14Å; F299-N303 WeakPolarHBondContact CE1-ND2 3.36Å; F299-N303 WeakPolarHBondContact CE2-ND2 3.46Å; F299-N303 WeakPolarHBondContact CZ-ND2 3.38Å; F299-N303 VanDerWaalsContact O-CB 3.24Å; F299-N303 WeakPolarHBondContact O-CB 3.25Å; F299-N303 VanDerWaalsContact O-CG 3.25Å; F299-N303 PolarHBondContact O-N 2.95Å; F299-N303 PolarHBondContact O-ND2 3.05Å
300Y84.1Confident77.3Confident90 Ų9034.4 Ų34.435%0.35318%0.178SC..Hα-helixtrans-67.2-43.4-178-62.1-55.8000112.6N297 A298 T304N297-Y300 HydrophobicContact CB-CD2 3.84Å; N297-Y300 HydrophobicContact CB-CE2 3.88Å; N297-Y300 PolarHBondContact O-N 2.9Å; A298-Y300 VanDerWaalsContact C-N 3.28Å; A298-Y300 PolarHBondContact O-N 3.17Å; Y300-T304 PolarHBondContact O-N 2.97Å; Y300-T304 VanDerWaalsContact O-N 3.16Å; Y300-T304 PolarHBondContact O-OG1 3.05Å
301A83.6Confident75.8Confident0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-68.8-45.2-179.500000111.5A298 T304 I305 F387 Y393 L396A298-A301 PolarHBondContact O-N 2.78Å; A301-T304 PolarHBondContact O-N 2.88Å; A301-I305 PolarHBondContact O-N 3Å; A301-F387 HydrophobicContact CB-CE1 3.79Å; A301-F387 HydrophobicContact CB-CZ 3.58Å; A301-Y393 HydrophobicContact CB-CD2 4.01Å; A301-Y393 HydrophobicContact CB-CE2 3.9Å; A301-L396 HydrophobicContact CB-CB 3.98Å
302L81.8Confident74.6Confident5 Ų539.9 Ų39.93%0.02621%0.213CC..Hα-helixtrans-66.5-42.1-179.3-67.9172.8000111.7A298 T304 I305 T306 I325 M329 L363 L364 Y386 F387A298-L302 HydrophobicContact CB-CD1 4.22Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 WeakPolarHBondContact O-CG 3.33Å; A298-L302 PolarHBondContact O-N 2.87Å; L302-T304 VanDerWaalsContact C-N 3.27Å; L302-T304 PolarHBondContact O-N 3.46Å; L302-I305 PolarHBondContact O-N 3.04Å; L302-T306 WeakPolarHBondContact O-CG2 3.5Å; L302-T306 PolarHBondContact O-N 2.96Å; L302-I325 HydrophobicContact CD1-CG2 4.43Å; L302-M329 HydrophobicContact CB-CE 4.24Å; L302-M329 HydrophobicContact CD1-CE 3.96Å; L302-M329 HydrophobicContact CD1-SD 3.28Å; L302-M329 WeakPolarHBondContact CD1-SD 3.37Å; L302-L363 HydrophobicContact CD1-CD2 3.99Å; L302-L364 HydrophobicContact CD1-CD2 3.99Å; L302-L364 HydrophobicContact CD2-CD2 4.1Å; L302-L364 HydrophobicContact CG-CD2 4.25Å; L302-Y386 HydrophobicContact CD2-CD2 4.1Å; L302-F387 HydrophobicContact CD2-CE2 4.35Å; L302-F387 HydrophobicContact CD2-CZ 4.3Å
303N79.4Confident73.1Confident39 Ų3946.2 Ų46.221%0.20925%0.252CS..Hα-helixtrans-64.6-30.6174.8-77.1-12.3000113.4F299 I305 T306 L307F299-N303 WeakPolarHBondContact CD2-ND2 3.14Å; F299-N303 WeakPolarHBondContact CE1-ND2 3.36Å; F299-N303 WeakPolarHBondContact CE2-ND2 3.46Å; F299-N303 WeakPolarHBondContact CZ-ND2 3.38Å; F299-N303 VanDerWaalsContact O-CB 3.24Å; F299-N303 WeakPolarHBondContact O-CB 3.25Å; F299-N303 VanDerWaalsContact O-CG 3.25Å; F299-N303 PolarHBondContact O-N 2.95Å; F299-N303 PolarHBondContact O-ND2 3.05Å; N303-I305 VanDerWaalsContact C-N 3.33Å; N303-T306 WeakPolarHBondContact CA-OG1 3.36Å; N303-T306 PolarHBondContact O-N 3.47Å; N303-T306 PolarHBondContact O-OG1 3.18Å; N303-L307 WeakPolarHBondContact O-CB 3.29Å; N303-L307 WeakPolarHBondContact O-CD1 3.2Å; N303-L307 WeakPolarHBondContact O-CG 3.17Å; N303-L307 PolarHBondContact O-N 3.44Å
304T76.7Confident71.1Confident60 Ų6053 Ų5337%0.36829%0.288SS..Hα-helixtrans-68.6-37.7177.3-53.10000110.8Y300 A301 L302 S308 L396Y300-T304 PolarHBondContact O-N 2.97Å; Y300-T304 VanDerWaalsContact O-N 3.16Å; Y300-T304 PolarHBondContact O-OG1 3.05Å; A301-T304 PolarHBondContact O-N 2.88Å; L302-T304 VanDerWaalsContact C-N 3.27Å; L302-T304 PolarHBondContact O-N 3.46Å; T304-S308 WeakPolarHBondContact O-CB 3.3Å; T304-S308 PolarHBondContact O-N 2.93Å; T304-S308 PolarHBondContact O-OG 3.5Å; T304-L396 HydrophobicContact CG2-CD2 3.72Å
305I72.1Confident69Low22 Ų2256.2 Ų56.211%0.11331%0.308CS..Hα-helixtrans-64.9-42.7173.3-67.2174.9000111.2A301 L302 N303 L307 S308 N309 I317 I322 F387A301-I305 PolarHBondContact O-N 3Å; L302-I305 PolarHBondContact O-N 3.04Å; N303-I305 VanDerWaalsContact C-N 3.33Å; I305-L307 VanDerWaalsContact C-N 3.34Å; I305-L307 PolarHBondContact O-N 2.88Å; I305-S308 WeakPolarHBondContact CA-OG 3.42Å; I305-S308 PolarHBondContact O-N 2.83Å; I305-S308 PolarHBondContact O-OG 3.22Å; I305-N309 PolarHBondContact O-N 3.44Å; I305-I317 HydrophobicContact CG2-CD1 4.39Å; I305-I322 HydrophobicContact CG2-CD1 4.08Å; I305-F387 HydrophobicContact CD1-CD1 3.98Å; I305-F387 HydrophobicContact CD1-CE1 3.35Å; I305-F387 HydrophobicContact CD1-CE2 4.15Å; I305-F387 HydrophobicContact CD1-CZ 3.43Å; I305-F387 VanDerWaalsContact CD1-CZ 3.43Å; I305-F387 HydrophobicContact CG1-CE1 4.19Å
306T68.5Low66.9Low26 Ų2664.6 Ų64.616%0.1635%0.352CS..Hα-helixtrans-63-42.2179.471.30000111.4L302 N303 I322 V326L302-T306 WeakPolarHBondContact O-CG2 3.5Å; L302-T306 PolarHBondContact O-N 2.96Å; N303-T306 WeakPolarHBondContact CA-OG1 3.36Å; N303-T306 PolarHBondContact O-N 3.47Å; N303-T306 PolarHBondContact O-OG1 3.18Å; T306-I322 HydrophobicContact CG2-CG2 3.14Å; T306-V326 HydrophobicContact CG2-CG2 3.93Å
307L65.8Low65.1Low115 Ų11566.7 Ų66.760%0.60236%0.363SS*.Hα-helixtrans-69.8-38.9178.1-74.9161.4000112.9N303 I305 N310N303-L307 WeakPolarHBondContact O-CB 3.29Å; N303-L307 WeakPolarHBondContact O-CD1 3.2Å; N303-L307 WeakPolarHBondContact O-CG 3.17Å; N303-L307 PolarHBondContact O-N 3.44Å; I305-L307 VanDerWaalsContact C-N 3.34Å; I305-L307 PolarHBondContact O-N 2.88Å; L307-N310 PolarHBondContact O-N 3.25Å
308S60.7Low63.5Low53 Ų5369.1 Ų69.137%0.37138%0.381SS..Hα-helixtrans-66.9-37.1-179.659.20000112.7T304 I305 N310 N311 T312T304-S308 WeakPolarHBondContact O-CB 3.3Å; T304-S308 PolarHBondContact O-N 2.93Å; T304-S308 PolarHBondContact O-OG 3.5Å; I305-S308 WeakPolarHBondContact CA-OG 3.42Å; I305-S308 PolarHBondContact O-N 2.83Å; I305-S308 PolarHBondContact O-OG 3.22Å; S308-N310 VanDerWaalsContact C-N 3.35Å; S308-N310 PolarHBondContact O-N 2.78Å; S308-N311 PolarHBondContact O-N 3.29Å; S308-T312 PolarHBondContact O-N 3.18Å; S308-T312 PolarHBondContact O-OG1 3.5Å
309N54.6Low61.8Low10 Ų1073.1 Ų73.15%0.05340%0.402CS..Hα-helixtrans-73.5-25.5-178.4-75.53000113.1I305 N311 T312 I322I305-N309 PolarHBondContact O-N 3.44Å; N309-N311 PolarHBondContact O-N 3.3Å; N309-T312 PolarHBondContact O-N 2.89Å; N309-I322 HydrophobicContact CB-CD1 4.34Å; N309-I322 VanDerWaalsContact ND2-CD1 3.26Å; N309-I322 WeakPolarHBondContact ND2-CD1 3.38Å
310N52.6Low60.5Low115 Ų11574.6 Ų74.662%0.61542%0.416SS*.Hα-helixtrans-61.4-23.8170.9-74.2-19.5000112.9L307 S308L307-N310 PolarHBondContact O-N 3.25Å; S308-N310 VanDerWaalsContact C-N 3.35Å; S308-N310 PolarHBondContact O-N 2.78Å
311N50.8Low59.3Low151 Ų15175 Ų7581%0.80742%0.421SS*.THydrogen-bonded Turntrans-98.9-10.3179.8-71.3-13.1000114S308 N309S308-N311 PolarHBondContact O-N 3.29Å; N309-N311 PolarHBondContact O-N 3.3Å
312T44.9Very low57.9Low70 Ų7075.4 Ų75.443%0.42942%0.423SS..  trans-128.8105.8-177.427.90000110.9S308 N309 N314S308-T312 PolarHBondContact O-N 3.18Å; S308-T312 PolarHBondContact O-OG1 3.5Å; N309-T312 PolarHBondContact O-N 2.89Å; T312-N314 PolarHBondContact O-N 3.37Å
313T46.3Very low56.9Low148 Ų14880.2 Ų80.291%0.90845%0.449SS*.THydrogen-bonded Turntrans-66.13.4177.534.30000115
314N42.9Very low56.3Low146 Ų14685.1 Ų85.178%0.78147%0.468SS*.THydrogen-bonded Turntrans-133.926.7-167.7-88.6-2.8000115.7T312T312-N314 PolarHBondContact O-N 3.37Å
315N42.6Very low55.5Low100 Ų10082.8 Ų82.854%0.53545%0.454SS..  trans-103.1134165.7-81.8-12.8000111I317N315-I317 PolarHBondContact O-N 2.89Å
316N47.7Very low55.2Low175 Ų17583.7 Ų83.794%0.93646%0.46SS*.SBendtrans-59.66.7-170.9-72.3-23.4000116.9
317I52.2Low55.1Low44 Ų4486.8 Ų86.823%0.22647%0.473CS..SBendtrans-97.5112.8178.3-54.2171.5000106.8I305 N315 N319 I322I305-I317 HydrophobicContact CG2-CD1 4.39Å; N315-I317 PolarHBondContact O-N 2.89Å; I317-N319 PolarHBondContact O-N 2.66Å; I317-I322 HydrophobicContact CB-CD1 4.31Å; I317-I322 HydrophobicContact CG2-CD1 3.65Å; I317-I322 HydrophobicContact CG2-CG1 3.63Å
318S54.1Low55.1Low53 Ų5383.5 Ų83.537%0.37146%0.459SS..  trans-61.2132.5176.874.90000109.1S320 E321 I322S318-S320 PolarHBondContact O-N 2.9Å; S318-S320 PolarHBondContact OG-OG 2.71Å; S318-E321 PolarHBondContact O-N 3.26Å; S318-E321 WeakPolarHBondContact OG-CG 3.35Å; S318-E321 PolarHBondContact OG-N 3.15Å; S318-I322 PolarHBondContact O-N 2.74Å
319N52.6Low55.2Low84 Ų8481.1 Ų81.145%0.44944%0.442SS..Hα-helixtrans-50.5-28.4173.4-73.9-13.3000111.7I317 E321 I322 D323I317-N319 PolarHBondContact O-N 2.66Å; N319-E321 PolarHBondContact O-N 2.65Å; N319-I322 PolarHBondContact O-N 3.35Å; N319-D323 PolarHBondContact O-N 3.43Å
320S57.5Low55.7Low61 Ų6182.1 Ų82.143%0.42745%0.447SS..Hα-helixtrans-63.5-34.1175.3860000114.9S318 K324S318-S320 PolarHBondContact O-N 2.9Å; S318-S320 PolarHBondContact OG-OG 2.71Å; S320-K324 WeakPolarHBondContact O-CD 3.28Å; S320-K324 WeakPolarHBondContact O-CG 3.13Å; S320-K324 PolarHBondContact O-N 2.74Å
321E58.2Low56.2Low98 Ų9879.8 Ų79.846%0.45844%0.435SS..Hα-helixtrans-73-39175.4-77.7178155.400110.4S318 N319 K324 I325S318-E321 PolarHBondContact O-N 3.26Å; S318-E321 WeakPolarHBondContact OG-CG 3.35Å; S318-E321 PolarHBondContact OG-N 3.15Å; N319-E321 PolarHBondContact O-N 2.65Å; E321-K324 WeakPolarHBondContact O-CB 3.33Å; E321-K324 PolarHBondContact O-N 3.39Å; E321-I325 WeakPolarHBondContact O-CD1 3.48Å; E321-I325 WeakPolarHBondContact O-CG1 3.46Å; E321-I325 PolarHBondContact O-N 2.88Å
322I55.1Low56.7Low9 Ų973.6 Ų73.65%0.04640%0.403CS..Hα-helixtrans-66-43.2176.4-68.7172.8000112I305 T306 N309 I317 S318 N319 K324 I325 V326I305-I322 HydrophobicContact CG2-CD1 4.08Å; T306-I322 HydrophobicContact CG2-CG2 3.14Å; N309-I322 HydrophobicContact CB-CD1 4.34Å; N309-I322 VanDerWaalsContact ND2-CD1 3.26Å; N309-I322 WeakPolarHBondContact ND2-CD1 3.38Å; I317-I322 HydrophobicContact CB-CD1 4.31Å; I317-I322 HydrophobicContact CG2-CD1 3.65Å; I317-I322 HydrophobicContact CG2-CG1 3.63Å; S318-I322 PolarHBondContact O-N 2.74Å; N319-I322 PolarHBondContact O-N 3.35Å; I322-K324 VanDerWaalsContact C-N 3.29Å; I322-K324 PolarHBondContact O-N 2.8Å; I322-I325 CarbonylContact O-C 3.58Å; I322-I325 WeakPolarHBondContact O-CA 3.46Å; I322-I325 VanDerWaalsContact O-CB 3.3Å; I322-I325 WeakPolarHBondContact O-CB 3.13Å; I322-I325 PolarHBondContact O-N 2.97Å; I322-V326 PolarHBondContact O-N 2.9Å
323D60.7Low57.2Low106 Ų10671.9 Ų71.957%0.56739%0.39SS*.Hα-helixtrans-63.4-38.4176.1-71.1-27000111.3N319 I325 V326 Q327N319-D323 PolarHBondContact O-N 3.43Å; D323-I325 VanDerWaalsContact C-N 3.32Å; D323-V326 PolarHBondContact O-N 3.49Å; D323-Q327 WeakPolarHBondContact O-CB 3.33Å; D323-Q327 PolarHBondContact O-N 3.44Å
324K64.9Low57.7Low142 Ų14270.1 Ų70.162%0.61737%0.37SS*.Hα-helixtrans-63.3-38.4170.9-74.4170.2-174.2172.90111.8S320 E321 I322 S328S320-K324 WeakPolarHBondContact O-CD 3.28Å; S320-K324 WeakPolarHBondContact O-CG 3.13Å; S320-K324 PolarHBondContact O-N 2.74Å; E321-K324 WeakPolarHBondContact O-CB 3.33Å; E321-K324 PolarHBondContact O-N 3.39Å; I322-K324 VanDerWaalsContact C-N 3.29Å; I322-K324 PolarHBondContact O-N 2.8Å; K324-S328 WeakPolarHBondContact O-CB 3.42Å; K324-S328 PolarHBondContact O-N 3.28Å; K324-S328 PolarHBondContact O-OG 3.38Å; K324-S328 VanDerWaalsContact O-OG 3.11Å
325I61.9Low57.9Low11 Ų1167.9 Ų67.96%0.05636%0.355CS..Hα-helixtrans-61.5-54.9174.9-70161.1000109.2L302 E321 I322 D323 Q327 S328 M329 L363 Y386L302-I325 HydrophobicContact CD1-CG2 4.43Å; E321-I325 WeakPolarHBondContact O-CD1 3.48Å; E321-I325 WeakPolarHBondContact O-CG1 3.46Å; E321-I325 PolarHBondContact O-N 2.88Å; I322-I325 CarbonylContact O-C 3.58Å; I322-I325 WeakPolarHBondContact O-CA 3.46Å; I322-I325 VanDerWaalsContact O-CB 3.3Å; I322-I325 WeakPolarHBondContact O-CB 3.13Å; I322-I325 PolarHBondContact O-N 2.97Å; D323-I325 VanDerWaalsContact C-N 3.32Å; I325-Q327 VanDerWaalsContact C-N 3.34Å; I325-Q327 PolarHBondContact O-N 3.48Å; I325-S328 PolarHBondContact O-N 3.16Å; I325-S328 PolarHBondContact O-OG 2.92Å; I325-M329 HydrophobicContact CG2-CE 3.44Å; I325-M329 VanDerWaalsContact CG2-CE 3.44Å; I325-M329 HydrophobicContact CG2-SD 4.05Å; I325-M329 WeakPolarHBondContact O-CB 3.4Å; I325-M329 WeakPolarHBondContact O-CG 3.35Å; I325-M329 PolarHBondContact O-N 2.82Å; I325-L363 HydrophobicContact CB-CD1 4.08Å; I325-L363 HydrophobicContact CG1-CD1 3.76Å; I325-L363 HydrophobicContact CG2-CD1 3.83Å; I325-L363 HydrophobicContact CG2-CD2 4.08Å; I325-L363 HydrophobicContact CG2-CG 4.26Å; I325-Y386 HydrophobicContact CD1-CD1 4.48Å; I325-Y386 HydrophobicContact CD1-CD2 4.44Å; I325-Y386 HydrophobicContact CD1-CE1 3.76Å; I325-Y386 HydrophobicContact CD1-CE2 3.69Å; I325-Y386 VanDerWaalsContact CD1-OH 3.31Å; I325-Y386 WeakPolarHBondContact CD1-OH 3.2Å; I325-Y386 HydrophobicContact CG1-CE2 4.43Å
326V64.5Low58.2Low40 Ų4065.2 Ų65.224%0.24234%0.34CS..Hα-helixtrans-60.1-42.5179.1176.30000111.8T306 I322 D323 M329 N330T306-V326 HydrophobicContact CG2-CG2 3.93Å; I322-V326 PolarHBondContact O-N 2.9Å; D323-V326 PolarHBondContact O-N 3.49Å; V326-M329 HydrophobicContact CB-CE 4.35Å; V326-M329 HydrophobicContact CG2-CE 4Å; V326-M329 PolarHBondContact O-N 3.29Å; V326-N330 WeakPolarHBondContact O-CB 3.38Å; V326-N330 PolarHBondContact O-N 3.28Å; V326-N330 PolarHBondContact O-ND2 2.93Å
327Q67.4Low58.2Low92 Ų9263 Ų6343%0.4333%0.328SS..Hα-helixtrans-64.8-48.1176.3-173.460.735.300111.4D323 I325 M329 N330 D331D323-Q327 WeakPolarHBondContact O-CB 3.33Å; D323-Q327 PolarHBondContact O-N 3.44Å; I325-Q327 VanDerWaalsContact C-N 3.34Å; I325-Q327 PolarHBondContact O-N 3.48Å; Q327-M329 PolarHBondContact O-N 3.04Å; Q327-N330 CarbonylContact O-C 3.55Å; Q327-N330 PolarHBondContact O-N 3.24Å; Q327-D331 PolarHBondContact NE2-OD1 2.99Å; Q327-D331 WeakPolarHBondContact O-CB 3.31Å; Q327-D331 PolarHBondContact O-N 3.48Å
328S64.6Low57.6Low46 Ų4668.6 Ų68.632%0.32235%0.353SS..Hα-helixtrans-59.5-34.2177.4730000112K324 I325 D331 V332K324-S328 WeakPolarHBondContact O-CB 3.42Å; K324-S328 PolarHBondContact O-N 3.28Å; K324-S328 PolarHBondContact O-OG 3.38Å; K324-S328 VanDerWaalsContact O-OG 3.11Å; I325-S328 PolarHBondContact O-N 3.16Å; I325-S328 PolarHBondContact O-OG 2.92Å; S328-D331 PolarHBondContact O-N 2.86Å; S328-V332 VanDerWaalsContact O-CG2 3.26Å; S328-V332 WeakPolarHBondContact O-CG2 3.44Å; S328-V332 PolarHBondContact O-N 3.23Å
329M62.3Low57.1Low3 Ų368.7 Ų68.72%0.01535%0.349CS..Hα-helixtrans-73.5-43.1176.4-73.6-172.6-61.400112.7Y254 L302 I325 V326 Q327 D331 V332 E333 L363Y254-M329 HydrophobicContact CD2-CG 4.45Å; Y254-M329 HydrophobicContact CD2-SD 3.75Å; Y254-M329 HydrophobicContact CE1-CB 3.75Å; Y254-M329 HydrophobicContact CE1-CG 4.31Å; Y254-M329 HydrophobicContact CE1-SD 4.47Å; Y254-M329 HydrophobicContact CE2-CB 4.09Å; Y254-M329 HydrophobicContact CE2-CE 4.15Å; Y254-M329 HydrophobicContact CE2-CG 3.94Å; Y254-M329 HydrophobicContact CE2-SD 3.09Å; Y254-M329 WeakPolarHBondContact CE2-SD 3.38Å; Y254-M329 VanDerWaalsContact CZ-CB 3.47Å; Y254-M329 VanDerWaalsContact CZ-SD 3.53Å; Y254-M329 VanDerWaalsContact OH-CB 3.31Å; Y254-M329 WeakPolarHBondContact OH-CB 3.31Å; L302-M329 HydrophobicContact CB-CE 4.24Å; L302-M329 HydrophobicContact CD1-CE 3.96Å; L302-M329 HydrophobicContact CD1-SD 3.28Å; L302-M329 WeakPolarHBondContact CD1-SD 3.37Å; I325-M329 HydrophobicContact CG2-CE 3.44Å; I325-M329 VanDerWaalsContact CG2-CE 3.44Å; I325-M329 HydrophobicContact CG2-SD 4.05Å; I325-M329 WeakPolarHBondContact O-CB 3.4Å; I325-M329 WeakPolarHBondContact O-CG 3.35Å; I325-M329 PolarHBondContact O-N 2.82Å; V326-M329 HydrophobicContact CB-CE 4.35Å; V326-M329 HydrophobicContact CG2-CE 4Å; V326-M329 PolarHBondContact O-N 3.29Å; Q327-M329 PolarHBondContact O-N 3.04Å; M329-D331 PolarHBondContact O-N 3.23Å; M329-V332 WeakPolarHBondContact O-CB 3.21Å; M329-V332 PolarHBondContact O-N 3.35Å; M329-E333 PolarHBondContact O-N 3.26Å; M329-L363 HydrophobicContact CG-CD2 3.37Å; M329-L363 HydrophobicContact SD-CD2 3.53Å; M329-L363 VanDerWaalsContact SD-CD2 3.53Å
330N66Low56.8Low30 Ų3067.5 Ų67.516%0.1635%0.347CS..Hα-helixtrans-62.8-33.3171.1-75.3-33.1000111.3V326 Q327 E333 K334V326-N330 WeakPolarHBondContact O-CB 3.38Å; V326-N330 PolarHBondContact O-N 3.28Å; V326-N330 PolarHBondContact O-ND2 2.93Å; Q327-N330 CarbonylContact O-C 3.55Å; Q327-N330 PolarHBondContact O-N 3.24Å; N330-E333 PolarHBondContact O-N 2.93Å; N330-K334 VanDerWaalsContact O-CB 3.28Å; N330-K334 WeakPolarHBondContact O-CB 3.31Å; N330-K334 VanDerWaalsContact O-CG 3.25Å; N330-K334 WeakPolarHBondContact O-CG 3.06Å; N330-K334 PolarHBondContact O-N 3.13Å
331D63.3Low55.9Low67 Ų6773.3 Ų73.336%0.35837%0.368SS..Hα-helixtrans-71.5-32.3175.7-65.4-20.5000111.7Q327 S328 M329 E333 Q335Q327-D331 PolarHBondContact NE2-OD1 2.99Å; Q327-D331 WeakPolarHBondContact O-CB 3.31Å; Q327-D331 PolarHBondContact O-N 3.48Å; S328-D331 PolarHBondContact O-N 2.86Å; M329-D331 PolarHBondContact O-N 3.23Å; D331-E333 VanDerWaalsContact C-N 3.31Å; D331-Q335 WeakPolarHBondContact O-CB 3.44Å; D331-Q335 VanDerWaalsContact O-CG 3.3Å; D331-Q335 WeakPolarHBondContact O-CG 3.22Å; D331-Q335 PolarHBondContact O-N 2.75Å
332V61.3Low54.9Low21 Ų2171.8 Ų71.813%0.12737%0.368CS..Hα-helixtrans-61-41.7170.7169.40000110.6S328 M329 E356 K359S328-V332 VanDerWaalsContact O-CG2 3.26Å; S328-V332 WeakPolarHBondContact O-CG2 3.44Å; S328-V332 PolarHBondContact O-N 3.23Å; M329-V332 WeakPolarHBondContact O-CB 3.21Å; M329-V332 PolarHBondContact O-N 3.35Å; V332-E356 HydrophobicContact CG1-CB 4.39Å; V332-E356 HydrophobicContact CG1-CG 4.31Å; V332-K359 HydrophobicContact CG2-CB 4.06Å; V332-K359 HydrophobicContact CG2-CD 3.66Å
333E56.1Low54.2Low34 Ų3481 Ų8116%0.15941%0.408CS..Hα-helixtrans-79-43.6-179.9-165.3179.9-156.600112.8S256 N258 M329 N330 D331 Q335 D336S256-E333 WeakPolarHBondContact CB-OE2 3.31Å; N258-E333 PolarHBondContact ND2-OE2 2.83Å; M329-E333 PolarHBondContact O-N 3.26Å; N330-E333 PolarHBondContact O-N 2.93Å; D331-E333 VanDerWaalsContact C-N 3.31Å; E333-Q335 VanDerWaalsContact C-N 3.29Å; E333-Q335 PolarHBondContact O-N 3.42Å; E333-D336 WeakPolarHBondContact O-CB 3.46Å; E333-D336 PolarHBondContact O-N 3.21Å; E333-D336 VanDerWaalsContact O-N 3.15Å
334K55.4Low53.7Low110 Ų11077 Ų7748%0.47839%0.388SS..Hα-helixtrans-67.6-24.4-179.3-74.6176.3-178.8178.30113.9N330 D336 D337N330-K334 VanDerWaalsContact O-CB 3.28Å; N330-K334 WeakPolarHBondContact O-CB 3.31Å; N330-K334 VanDerWaalsContact O-CG 3.25Å; N330-K334 WeakPolarHBondContact O-CG 3.06Å; N330-K334 PolarHBondContact O-N 3.13Å; K334-D336 PolarHBondContact O-N 3.38Å; K334-D336 VanDerWaalsContact O-N 3.08Å; K334-D337 PolarHBondContact O-N 2.95Å
335Q48.5Very low53.2Low100 Ų10073.6 Ų73.647%0.46738%0.381SS..THydrogen-bonded Turntrans-64.6-6.7173.6-82.8-169.1-4.700113.3D331 E333 K352D331-Q335 WeakPolarHBondContact O-CB 3.44Å; D331-Q335 VanDerWaalsContact O-CG 3.3Å; D331-Q335 WeakPolarHBondContact O-CG 3.22Å; D331-Q335 PolarHBondContact O-N 2.75Å; E333-Q335 VanDerWaalsContact C-N 3.29Å; E333-Q335 PolarHBondContact O-N 3.42Å; Q335-K352 PolarHBondContact O-NZ 3.14Å
336D48.8Very low53Low43 Ų4375.4 Ų75.423%0.2339%0.391CS..THydrogen-bonded Turntrans-82.1-33.8175.3-63.9-39.1000113.7R166 E333 K334 H338 K352R166-D336 IonicContact CZ-OD1 3.43Å; R166-D336 IonicContact CZ-OD2 3.17Å; R166-D336 IonicContact NE-OD2 2.95Å; R166-D336 IonicContact NH1-OD2 4Å; R166-D336 PolarHBondContact NH1-OD2 3.45Å; R166-D336 IonicContact NH2-OD1 3.3Å; R166-D336 IonicContact NH2-OD2 2.72Å; R166-D336 PolarHBondContact NH2-OD2 3.15Å; E333-D336 WeakPolarHBondContact O-CB 3.46Å; E333-D336 PolarHBondContact O-N 3.21Å; E333-D336 VanDerWaalsContact O-N 3.15Å; K334-D336 PolarHBondContact O-N 3.38Å; K334-D336 VanDerWaalsContact O-N 3.08Å; D336-H338 PolarHBondContact O-N 2.78Å; D336-K352 IonicContact OD1-NZ 2.75Å; D336-K352 PolarHBondContact OD1-NZ 3.02Å; D336-K352 VanDerWaalsContact OD1-NZ 3.13Å
337D46.1Very low52.8Low128 Ų12877.8 Ų77.868%0.68441%0.406SS*.G310 helixtrans-72.9-27.7-174.2-74.7-24.7000113.2K334 L339K334-D337 PolarHBondContact O-N 2.95Å; D337-L339 VanDerWaalsContact C-N 3.34Å; D337-L339 PolarHBondContact O-N 3.28Å
338H40.6Very low52.6Low163 Ų16378 Ų7876%0.75541%0.406SS*.G310 helixtrans-85.82.5-175.2-69.2-62.8000115D336D336-H338 PolarHBondContact O-N 2.78Å
339L44.2Very low52.7Low54 Ų5476.8 Ų76.828%0.28340%0.396SS..G310 helixtrans-93.914.1-175.5-117138.7000115.1D337 Q341 K352D337-L339 VanDerWaalsContact C-N 3.34Å; D337-L339 PolarHBondContact O-N 3.28Å; L339-Q341 PolarHBondContact O-N 3.41Å; L339-Q341 VanDerWaalsContact O-N 3.15Å; L339-K352 HydrophobicContact CD1-CD 3.43Å; L339-K352 VanDerWaalsContact CD1-CD 3.43Å
340S44.3Very low52.9Low59 Ų5977.9 Ų77.941%0.41340%0.404SS..SBendtrans-68.6-4175.647.90000115
341Q38.8Very low53.2Low183 Ų18382.8 Ų82.886%0.85543%0.426SS*.SBendtrans-126.1-8.6-165.9-71.7-172.8-6.700119.1L339L339-Q341 PolarHBondContact O-N 3.41Å; L339-Q341 VanDerWaalsContact O-N 3.15Å
342S37.3Very low53.8Low67 Ų6781 Ų8147%0.46942%0.415SS..  trans-116.2127.8-177.862.30000113T344S342-T344 PolarHBondContact O-N 3.49Å; S342-T344 PolarHBondContact O-OG1 2.92Å; S342-T344 WeakPolarHBondContact OG-CG2 3.39Å
343K40.9Very low54.7Low201 Ų20180.6 Ų80.687%0.87441%0.412SS*.  trans-56.869.8166.5-69.9177.7175.9179.20109.9
344T49.7Very low55.8Low24 Ų2481 Ų8115%0.14742%0.415CS..  trans-84123.6179.735.60000107.7S342S342-T344 PolarHBondContact O-N 3.49Å; S342-T344 PolarHBondContact O-OG1 2.92Å; S342-T344 WeakPolarHBondContact OG-CG2 3.39Å
345S55.7Low57Low69 Ų6981.8 Ų81.848%0.48342%0.418SS..  trans-51.6142.5172.755.90000110.4T347 H348 I349S345-T347 PolarHBondContact O-N 3.25Å; S345-T347 VanDerWaalsContact O-N 3.08Å; S345-T347 PolarHBondContact OG-OG1 3.1Å; S345-H348 WeakPolarHBondContact O-CA 3.4Å; S345-H348 WeakPolarHBondContact O-CB 3.33Å; S345-H348 PolarHBondContact O-N 3.4Å; S345-I349 PolarHBondContact O-N 2.89Å
346L56.4Low58.4Low49 Ų4977.5 Ų77.526%0.25740%0.398SS..Hα-helixtrans-49-37.9179.8-178.571.5000114V216 H348 I349 S350V216-L346 HydrophobicContact CG2-CD1 3.79Å; V216-L346 HydrophobicContact CG2-CD2 3.65Å; V216-L346 HydrophobicContact CG2-CG 4.38Å; L346-H348 PolarHBondContact O-N 3.04Å; L346-I349 WeakPolarHBondContact O-CB 3.27Å; L346-I349 PolarHBondContact O-N 3.15Å; L346-I349 VanDerWaalsContact O-N 3.09Å; L346-S350 PolarHBondContact O-N 3.15Å; L346-S350 PolarHBondContact O-OG 2.96Å
347T60Low60.2Low90 Ų9075.6 Ų75.655%0.55239%0.388SS*.Hα-helixtrans-57-35.7173.528.20000112.8S345 S350 Q351S345-T347 PolarHBondContact O-N 3.25Å; S345-T347 VanDerWaalsContact O-N 3.08Å; S345-T347 PolarHBondContact OG-OG1 3.1Å; T347-S350 VanDerWaalsContact C-OG 3.28Å; T347-S350 VanDerWaalsContact CA-OG 3.28Å; T347-S350 WeakPolarHBondContact CA-OG 3.28Å; T347-S350 PolarHBondContact O-OG 3.28Å; T347-Q351 WeakPolarHBondContact O-CB 3.17Å; T347-Q351 WeakPolarHBondContact O-CG 3.26Å; T347-Q351 PolarHBondContact O-N 2.78Å
348H64.1Low62Low96 Ų9672.9 Ų72.944%0.44437%0.369SS..Hα-helixtrans-71.8-38.4175.6-168.8-38.3000111.4S345 L346 Q351 K352S345-H348 WeakPolarHBondContact O-CA 3.4Å; S345-H348 WeakPolarHBondContact O-CB 3.33Å; S345-H348 PolarHBondContact O-N 3.4Å; L346-H348 PolarHBondContact O-N 3.04Å; H348-Q351 PolarHBondContact O-N 3.26Å; H348-K352 WeakPolarHBondContact O-CB 3.43Å; H348-K352 PolarHBondContact O-N 3.46Å
349I65.9Low64Low21 Ų2167.6 Ų67.611%0.10834%0.344CS..Hα-helixtrans-63.6-48175.6-63.1175.9000109.8S345 L346 Q351 K352 F353S345-I349 PolarHBondContact O-N 2.89Å; L346-I349 WeakPolarHBondContact O-CB 3.27Å; L346-I349 PolarHBondContact O-N 3.15Å; L346-I349 VanDerWaalsContact O-N 3.09Å; I349-Q351 PolarHBondContact O-N 2.79Å; I349-K352 WeakPolarHBondContact O-CB 3.42Å; I349-K352 PolarHBondContact O-N 2.97Å; I349-K352 VanDerWaalsContact O-N 3.16Å; I349-F353 HydrophobicContact CG2-CD2 3.87Å; I349-F353 HydrophobicContact CG2-CE2 3.18Å; I349-F353 HydrophobicContact CG2-CZ 3.57Å; I349-F353 WeakPolarHBondContact O-CD2 3.06Å; I349-F353 PolarHBondContact O-N 3.21Å; I349-F353 VanDerWaalsContact O-N 3.14Å
350S67Low65.9Low27 Ų2765.7 Ų65.719%0.18933%0.334CS..Hα-helixtrans-59.6-43.1176.750.20000113L346 T347 K352 F353 I354L346-S350 PolarHBondContact O-N 3.15Å; L346-S350 PolarHBondContact O-OG 2.96Å; T347-S350 VanDerWaalsContact C-OG 3.28Å; T347-S350 VanDerWaalsContact CA-OG 3.28Å; T347-S350 WeakPolarHBondContact CA-OG 3.28Å; T347-S350 PolarHBondContact O-OG 3.28Å; S350-K352 VanDerWaalsContact C-N 3.3Å; S350-K352 PolarHBondContact O-N 2.98Å; S350-F353 PolarHBondContact O-N 2.58Å; S350-I354 WeakPolarHBondContact O-CG1 3.14Å; S350-I354 PolarHBondContact O-N 3.14Å; S350-I354 VanDerWaalsContact O-N 3.17Å
351Q73.4Confident67.9Low132 Ų13263.3 Ų63.362%0.61732%0.316SS*.Hα-helixtrans-65.3-34.8177.5-77.6172.2-11.700111.8T347 H348 I349 K355T347-Q351 WeakPolarHBondContact O-CB 3.17Å; T347-Q351 WeakPolarHBondContact O-CG 3.26Å; T347-Q351 PolarHBondContact O-N 2.78Å; H348-Q351 PolarHBondContact O-N 3.26Å; I349-Q351 PolarHBondContact O-N 2.79Å; Q351-K355 VanDerWaalsContact O-CB 3.23Å; Q351-K355 WeakPolarHBondContact O-CB 3.25Å; Q351-K355 PolarHBondContact O-N 3.22Å
352K75.8Confident70.1Confident31 Ų3158.8 Ų58.814%0.13530%0.295CS..Hα-helixtrans-65.6-47.7177.7-166.4-165.4-179.5-134.10111.6Q335 D336 L339 H348 I349 S350 I354 K355 E356Q335-K352 PolarHBondContact O-NZ 3.14Å; D336-K352 IonicContact OD1-NZ 2.75Å; D336-K352 PolarHBondContact OD1-NZ 3.02Å; D336-K352 VanDerWaalsContact OD1-NZ 3.13Å; L339-K352 HydrophobicContact CD1-CD 3.43Å; L339-K352 VanDerWaalsContact CD1-CD 3.43Å; H348-K352 WeakPolarHBondContact O-CB 3.43Å; H348-K352 PolarHBondContact O-N 3.46Å; I349-K352 WeakPolarHBondContact O-CB 3.42Å; I349-K352 PolarHBondContact O-N 2.97Å; I349-K352 VanDerWaalsContact O-N 3.16Å; S350-K352 VanDerWaalsContact C-N 3.3Å; S350-K352 PolarHBondContact O-N 2.98Å; K352-I354 PolarHBondContact O-N 3.46Å; K352-K355 WeakPolarHBondContact O-CB 3.34Å; K352-K355 PolarHBondContact O-N 3.4Å; K352-K355 VanDerWaalsContact O-N 3.13Å; K352-E356 IonicContact NZ-OE1 2.69Å; K352-E356 PolarHBondContact O-N 2.72Å; K352-E356 VanDerWaalsContact O-N 3.1Å
353F79.2Confident72.2Confident11 Ų1156.5 Ų56.55%0.04828%0.277CS..Hα-helixtrans-66-40-178.9-60.1-33.7000112.4R166 V168 Y173 I349 S350 K355 E356 C357R166-F353 HydrophobicContact CB-CD1 3.94Å; R166-F353 HydrophobicContact CB-CD2 4.41Å; R166-F353 HydrophobicContact CB-CE1 3.59Å; R166-F353 HydrophobicContact CB-CE2 4.09Å; R166-F353 HydrophobicContact CB-CG 4.34Å; R166-F353 HydrophobicContact CB-CZ 3.67Å; R166-F353 HydrophobicContact CG-CD1 3.61Å; R166-F353 HydrophobicContact CG-CE1 3.68Å; R166-F353 HydrophobicContact CG-CG 4.16Å; R166-F353 HydrophobicContact CG-CZ 4.28Å; V168-F353 HydrophobicContact CG2-CE2 4.37Å; V168-F353 HydrophobicContact CG2-CZ 3.76Å; Y173-F353 HydrophobicContact CD1-CD2 4.4Å; Y173-F353 HydrophobicContact CD1-CE2 4.2Å; Y173-F353 HydrophobicContact CD2-CD2 4.5Å; Y173-F353 AromaticContact CD2-CE2 3.67Å; Y173-F353 HydrophobicContact CD2-CE2 3.67Å; Y173-F353 HydrophobicContact CD2-CZ 4.39Å; Y173-F353 HydrophobicContact CE2-CE2 4.24Å; Y173-F353 HydrophobicContact CG-CD2 4.04Å; Y173-F353 AromaticContact CG-CE2 3.64Å; Y173-F353 HydrophobicContact CG-CE2 3.64Å; I349-F353 HydrophobicContact CG2-CD2 3.87Å; I349-F353 HydrophobicContact CG2-CE2 3.18Å; I349-F353 HydrophobicContact CG2-CZ 3.57Å; I349-F353 WeakPolarHBondContact O-CD2 3.06Å; I349-F353 PolarHBondContact O-N 3.21Å; I349-F353 VanDerWaalsContact O-N 3.14Å; S350-F353 PolarHBondContact O-N 2.58Å; F353-K355 VanDerWaalsContact C-N 3.3Å; F353-K355 PolarHBondContact O-N 3.43Å; F353-E356 WeakPolarHBondContact O-CB 3.12Å; F353-E356 PolarHBondContact O-N 3.29Å; F353-C357 PolarHBondContact O-N 2.88Å
354I79.6Confident74.2Confident43 Ų4347 Ų4722%0.22124%0.235CC..Hα-helixtrans-64-37.8172.8-65.1166000110.9L177 S350 K352 E356 C357 Y358L177-I354 HydrophobicContact CD1-CG2 4.45Å; S350-I354 WeakPolarHBondContact O-CG1 3.14Å; S350-I354 PolarHBondContact O-N 3.14Å; S350-I354 VanDerWaalsContact O-N 3.17Å; K352-I354 PolarHBondContact O-N 3.46Å; I354-E356 PolarHBondContact O-N 3.47Å; I354-C357 PolarHBondContact O-N 3.22Å; I354-Y358 WeakPolarHBondContact O-CB 3.23Å; I354-Y358 PolarHBondContact O-N 2.85Å
355K81.4Confident76Confident127 Ų12745.9 Ų45.955%0.55223%0.229SC*.Hα-helixtrans-62.4-30.8176.5-173176.7-176.5177.30112.5Q351 K352 F353 Y358 K359Q351-K355 VanDerWaalsContact O-CB 3.23Å; Q351-K355 WeakPolarHBondContact O-CB 3.25Å; Q351-K355 PolarHBondContact O-N 3.22Å; K352-K355 WeakPolarHBondContact O-CB 3.34Å; K352-K355 PolarHBondContact O-N 3.4Å; K352-K355 VanDerWaalsContact O-N 3.13Å; F353-K355 VanDerWaalsContact C-N 3.3Å; F353-K355 PolarHBondContact O-N 3.43Å; K355-Y358 PolarHBondContact O-N 3.46Å; K355-K359 WeakPolarHBondContact O-CG 3.33Å; K355-K359 PolarHBondContact O-N 2.96Å
356E78.1Confident77Confident9 Ų946.1 Ų46.14%0.04223%0.225CC..Hα-helixtrans-69.7-46.3174.9-70.5168-166.600112R166 V332 K352 F353 I354 Y358 K359 L360R166-E356 IonicContact CZ-OE2 2.78Å; R166-E356 IonicContact NE-OE2 3.3Å; R166-E356 PolarHBondContact NE-OE2 3.32Å; R166-E356 IonicContact NH2-OE1 3.52Å; R166-E356 IonicContact NH2-OE2 3.65Å; R166-E356 PolarHBondContact NH2-OE2 2.81Å; V332-E356 HydrophobicContact CG1-CB 4.39Å; V332-E356 HydrophobicContact CG1-CG 4.31Å; K352-E356 IonicContact NZ-OE1 2.69Å; K352-E356 PolarHBondContact O-N 2.72Å; K352-E356 VanDerWaalsContact O-N 3.1Å; F353-E356 WeakPolarHBondContact O-CB 3.12Å; F353-E356 PolarHBondContact O-N 3.29Å; I354-E356 PolarHBondContact O-N 3.47Å; E356-Y358 PolarHBondContact O-N 2.89Å; E356-K359 PolarHBondContact O-N 3.48Å; E356-L360 PolarHBondContact O-N 3.29Å
357C84.9Confident77.6Confident3 Ų350.4 Ų50.42%0.0224%0.241CC..Hα-helixtrans-56.7-40.6171-63.20000110.9T162 L177 F353 I354 L360 Y361T162-C357 WeakPolarHBondContact OG1-CB 3.29Å; T162-C357 PolarHBondContact OG1-O 2.74Å; L177-C357 HydrophobicContact CB-CB 3.75Å; L177-C357 HydrophobicContact CD2-CB 4.21Å; F353-C357 PolarHBondContact O-N 2.88Å; I354-C357 PolarHBondContact O-N 3.22Å; C357-L360 PolarHBondContact O-N 2.71Å; C357-Y361 PolarHBondContact O-N 3.06Å
358Y84.5Confident77.6Confident71 Ų7150.2 Ų50.228%0.27824%0.236SC..Hα-helixtrans-66.4-40.4177.5-173.8-96.8000113L177 P182 I354 K355 E356 L360 Y361 E362L177-Y358 HydrophobicContact CD2-CD2 4.13Å; P182-Y358 HydrophobicContact CB-CD2 4.02Å; P182-Y358 HydrophobicContact CB-CE2 3.79Å; P182-Y358 HydrophobicContact CG-CE2 4.49Å; I354-Y358 WeakPolarHBondContact O-CB 3.23Å; I354-Y358 PolarHBondContact O-N 2.85Å; K355-Y358 PolarHBondContact O-N 3.46Å; E356-Y358 PolarHBondContact O-N 2.89Å; Y358-L360 VanDerWaalsContact C-N 3.33Å; Y358-L360 PolarHBondContact O-N 3.38Å; Y358-Y361 HydrophobicContact CD2-CD1 4.03Å; Y358-Y361 AromaticContact CE2-CD1 3.9Å; Y358-Y361 HydrophobicContact CE2-CD1 3.9Å; Y358-Y361 HydrophobicContact CE2-CE1 4.01Å; Y358-Y361 WeakPolarHBondContact O-CB 3.36Å; Y358-Y361 PolarHBondContact O-N 3.39Å; Y358-E362 HydrophobicContact CD1-CG 4.12Å; Y358-E362 HydrophobicContact CE1-CG 3.62Å; Y358-E362 WeakPolarHBondContact CE1-OE1 3.49Å; Y358-E362 VanDerWaalsContact CZ-OE1 3.29Å; Y358-E362 PolarHBondContact O-N 2.99Å; Y358-E362 PolarHBondContact OH-OE1 3.24Å
359K83.2Confident76.8Confident53 Ų5351 Ų5123%0.2325%0.25CS..Hα-helixtrans-61.6-41.1172.5-75176.6-176179.70111.7V332 K355 E356 Y361 E362 L363V332-K359 HydrophobicContact CG2-CB 4.06Å; V332-K359 HydrophobicContact CG2-CD 3.66Å; K355-K359 WeakPolarHBondContact O-CG 3.33Å; K355-K359 PolarHBondContact O-N 2.96Å; E356-K359 PolarHBondContact O-N 3.48Å; K359-Y361 VanDerWaalsContact C-N 3.35Å; K359-E362 PolarHBondContact O-N 3.08Å; K359-L363 WeakPolarHBondContact O-CB 3.43Å; K359-L363 PolarHBondContact O-N 2.96Å
360L83.9Confident75.8Confident14 Ų1454.8 Ų54.87%0.07328%0.278CS..Hα-helixtrans-65-40.4176.2-178.958.7000111.6T162 I252 Y254 A298 E356 C357 Y358 L363 L364T162-L360 HydrophobicContact CG2-CB 4.25Å; T162-L360 HydrophobicContact CG2-CD2 3.92Å; T162-L360 HydrophobicContact CG2-CG 3.92Å; I252-L360 HydrophobicContact CG2-CD2 4.26Å; Y254-L360 HydrophobicContact CG-CD1 4.46Å; A298-L360 HydrophobicContact CB-CD1 4.2Å; E356-L360 PolarHBondContact O-N 3.29Å; C357-L360 PolarHBondContact O-N 2.71Å; Y358-L360 VanDerWaalsContact C-N 3.33Å; Y358-L360 PolarHBondContact O-N 3.38Å; L360-L363 WeakPolarHBondContact O-CB 3.47Å; L360-L363 PolarHBondContact O-N 3.32Å; L360-L364 HydrophobicContact CD1-CD1 3.75Å; L360-L364 HydrophobicContact CD1-CG 4.14Å; L360-L364 HydrophobicContact CG-CD1 4.05Å; L360-L364 PolarHBondContact O-N 3.09Å
361Y85.8Confident74.7Confident9 Ų957.2 Ų57.24%0.03529%0.294CS..Hα-helixtrans-58.3-53.6171157.7-100.2000111.1C179 C357 Y358 K359 L363 L364 F365 K367 V382C179-Y361 HydrophobicContact CB-CD2 3.73Å; C179-Y361 HydrophobicContact CB-CE2 4.05Å; C179-Y361 WeakPolarHBondContact O-CE2 2.83Å; C357-Y361 PolarHBondContact O-N 3.06Å; Y358-Y361 HydrophobicContact CD2-CD1 4.03Å; Y358-Y361 AromaticContact CE2-CD1 3.9Å; Y358-Y361 HydrophobicContact CE2-CD1 3.9Å; Y358-Y361 HydrophobicContact CE2-CE1 4.01Å; Y358-Y361 WeakPolarHBondContact O-CB 3.36Å; Y358-Y361 PolarHBondContact O-N 3.39Å; K359-Y361 VanDerWaalsContact C-N 3.35Å; Y361-L363 PolarHBondContact O-N 3.01Å; Y361-L364 PolarHBondContact O-N 3.31Å; Y361-F365 HydrophobicContact CD2-CB 3.95Å; Y361-F365 AromaticContact CD2-CD2 3.81Å; Y361-F365 HydrophobicContact CD2-CD2 3.81Å; Y361-F365 HydrophobicContact CD2-CG 4.19Å; Y361-F365 HydrophobicContact CE2-CB 3.9Å; Y361-F365 HydrophobicContact CE2-CD2 4.46Å; Y361-F365 HydrophobicContact CE2-CG 4.41Å; Y361-F365 WeakPolarHBondContact O-CB 3.41Å; Y361-F365 PolarHBondContact O-N 3.1Å; Y361-K367 VanDerWaalsContact OH-CE 3.22Å; Y361-K367 WeakPolarHBondContact OH-CE 3.41Å; Y361-K367 WeakPolarHBondContact OH-CG 3.36Å; Y361-V382 HydrophobicContact CE2-CG1 4.04Å
362E84.2Confident73.4Confident88 Ų8856.5 Ų56.541%0.41130%0.303SS..Hα-helixtrans-61.5-16.8177.9-78.3-168.1152.900113.2Y358 K359 R385Y358-E362 HydrophobicContact CD1-CG 4.12Å; Y358-E362 HydrophobicContact CE1-CG 3.62Å; Y358-E362 WeakPolarHBondContact CE1-OE1 3.49Å; Y358-E362 VanDerWaalsContact CZ-OE1 3.29Å; Y358-E362 PolarHBondContact O-N 2.99Å; Y358-E362 PolarHBondContact OH-OE1 3.24Å; K359-E362 PolarHBondContact O-N 3.08Å; E362-R385 PolarHBondContact O-NH1 3.26Å; E362-R385 PolarHBondContact O-NH2 3.49Å
363L81.9Confident71.7Confident19 Ų1960.7 Ų60.710%0.09933%0.327CS..Hα-helixtrans-84.1-49.5174.7-173.470.3000111.3L302 I325 M329 K359 L360 Y361 R385 Y386L302-L363 HydrophobicContact CD1-CD2 3.99Å; I325-L363 HydrophobicContact CB-CD1 4.08Å; I325-L363 HydrophobicContact CG1-CD1 3.76Å; I325-L363 HydrophobicContact CG2-CD1 3.83Å; I325-L363 HydrophobicContact CG2-CD2 4.08Å; I325-L363 HydrophobicContact CG2-CG 4.26Å; M329-L363 HydrophobicContact CG-CD2 3.37Å; M329-L363 HydrophobicContact SD-CD2 3.53Å; M329-L363 VanDerWaalsContact SD-CD2 3.53Å; K359-L363 WeakPolarHBondContact O-CB 3.43Å; K359-L363 PolarHBondContact O-N 2.96Å; L360-L363 WeakPolarHBondContact O-CB 3.47Å; L360-L363 PolarHBondContact O-N 3.32Å; Y361-L363 PolarHBondContact O-N 3.01Å; L363-R385 WeakPolarHBondContact O-CD 3.19Å; L363-Y386 WeakPolarHBondContact O-CE2 3.22Å
364L84.3Confident69.9Low0 Ų068 Ų680%037%0.367CS..Hα-helixtrans-83.5-20.9-169.3-72.1173.7000114.1I252 A298 L302 L360 Y361 L384 R385 F387I252-L364 HydrophobicContact CD1-CD1 4.16Å; I252-L364 HydrophobicContact CG2-CD1 3.7Å; A298-L364 HydrophobicContact CB-CD1 3.84Å; A298-L364 HydrophobicContact CB-CD2 4.28Å; L302-L364 HydrophobicContact CD1-CD2 3.99Å; L302-L364 HydrophobicContact CD2-CD2 4.1Å; L302-L364 HydrophobicContact CG-CD2 4.25Å; L360-L364 HydrophobicContact CD1-CD1 3.75Å; L360-L364 HydrophobicContact CD1-CG 4.14Å; L360-L364 HydrophobicContact CG-CD1 4.05Å; L360-L364 PolarHBondContact O-N 3.09Å; Y361-L364 PolarHBondContact O-N 3.31Å; L364-L384 WeakPolarHBondContact O-CA 3.31Å; L364-R385 PolarHBondContact O-N 3.11Å; L364-F387 HydrophobicContact CD2-CE2 4.45Å
365F85.8Confident68Low1 Ų171.6 Ų71.60%0.00439%0.386CS..EExtended strand (participates in β ladder)trans-127.9135.9-164.1-71.6-68.9000114.3W160 C179 I252 Y361 V382 V383 L384 R385W160-F365 HydrophobicContact CB-CE1 4.09Å; W160-F365 HydrophobicContact CB-CE2 4.3Å; W160-F365 HydrophobicContact CB-CZ 3.58Å; W160-F365 AromaticContact CD1-CE1 3.91Å; W160-F365 AromaticContact CD2-CE1 3.86Å; W160-F365 HydrophobicContact CD2-CE1 3.86Å; W160-F365 AromaticContact CD2-CZ 3.7Å; W160-F365 HydrophobicContact CD2-CZ 3.7Å; W160-F365 HydrophobicContact CE3-CE1 4.42Å; W160-F365 AromaticContact CE3-CZ 3.93Å; W160-F365 HydrophobicContact CE3-CZ 3.93Å; W160-F365 AromaticContact CG-CE1 3.7Å; W160-F365 HydrophobicContact CG-CE1 3.7Å; W160-F365 AromaticContact CG-CZ 3.57Å; W160-F365 HydrophobicContact CG-CZ 3.57Å; C179-F365 HydrophobicContact CB-CD2 4.42Å; C179-F365 HydrophobicContact CB-CE2 4.31Å; I252-F365 HydrophobicContact CD1-CE2 3.83Å; I252-F365 HydrophobicContact CD1-CZ 3.66Å; Y361-F365 HydrophobicContact CD2-CB 3.95Å; Y361-F365 AromaticContact CD2-CD2 3.81Å; Y361-F365 HydrophobicContact CD2-CD2 3.81Å; Y361-F365 HydrophobicContact CD2-CG 4.19Å; Y361-F365 HydrophobicContact CE2-CB 3.9Å; Y361-F365 HydrophobicContact CE2-CD2 4.46Å; Y361-F365 HydrophobicContact CE2-CG 4.41Å; Y361-F365 WeakPolarHBondContact O-CB 3.41Å; Y361-F365 PolarHBondContact O-N 3.1Å; F365-V382 HydrophobicContact CB-CG1 3.26Å; F365-V382 HydrophobicContact CD1-CB 3.98Å; F365-V382 HydrophobicContact CD1-CG1 3.25Å; F365-V382 HydrophobicContact CD2-CG1 4.45Å; F365-V382 HydrophobicContact CE1-CG1 4.19Å; F365-V382 HydrophobicContact CG-CB 4.47Å; F365-V382 HydrophobicContact CG-CG1 3.4Å; F365-V383 WeakPolarHBondContact CA-O 3.3Å; F365-L384 HydrophobicContact CD1-CD2 4.06Å; F365-L384 HydrophobicContact CE1-CD2 3.48Å; F365-L384 VanDerWaalsContact CE1-CD2 3.48Å; F365-L384 HydrophobicContact CE1-CG 4.06Å; F365-L384 HydrophobicContact CZ-CD2 3.89Å; F365-R385 VanDerWaalsContact C-CG 3.44Å; F365-R385 VanDerWaalsContact O-CZ 3.26Å; F365-R385 PolarHBondContact O-NE 2.99Å; F365-R385 PolarHBondContact O-NH2 3.4Å
366D78.6Confident66Low75 Ų7574.9 Ų74.940%0.40140%0.404SS..EExtended strand (participates in β ladder)trans-94.1139.3165.2-80.2-32.3000110.6L368 V383 R385D366-L368 PolarHBondContact O-N 2.81Å; D366-V383 PolarHBondContact N-O 2.68Å; D366-V383 PolarHBondContact O-N 3.32Å; D366-R385 HydrophobicContact CB-CG 4.18Å; D366-R385 VanDerWaalsContact CG-CG 3.47Å; D366-R385 WeakPolarHBondContact OD1-CD 3.46Å; D366-R385 IonicContact OD1-CZ 2.66Å; D366-R385 IonicContact OD1-NE 3.16Å; D366-R385 PolarHBondContact OD1-NE 3.5Å; D366-R385 IonicContact OD1-NH2 2.65Å; D366-R385 WeakPolarHBondContact OD2-CG 3.37Å
367K67.3Low64.1Low139 Ų13983.8 Ų83.860%0.60444%0.442SS*.EExtended strand (participates in β ladder)trans-74.3123.5165.9-72.2-175.1-179.6177.80107.8Y361Y361-K367 VanDerWaalsContact OH-CE 3.22Å; Y361-K367 WeakPolarHBondContact OH-CE 3.41Å; Y361-K367 WeakPolarHBondContact OH-CG 3.36Å
368L59.8Low62Low85 Ų8587 Ų8745%0.44546%0.462SS..PPolyproline II helixtrans-57.4140.6165.7-107.574.2000109.1D366 S370 N381 V383D366-L368 PolarHBondContact O-N 2.81Å; L368-S370 PolarHBondContact O-N 2.93Å; L368-S370 VanDerWaalsContact O-N 3.14Å; L368-N381 WeakPolarHBondContact CD1-O 3.41Å; L368-V383 HydrophobicContact CD1-CB 3.81Å; L368-V383 HydrophobicContact CD1-CG2 3.26Å
369P48.1Very low60.3Low114 Ų11487.2 Ų87.274%0.7447%0.467SS*.PPolyproline II helixtrans-54.3123.4162.8-16.527.9000107.6P371P369-P371 VanDerWaalsContact O-N 3.14Å
370S44.5Very low58.7Low100 Ų10089.8 Ų89.870%0.69948%0.483SS*.PPolyproline II helixtrans-50.5122.8173.7-550000108L368 S372L368-S370 PolarHBondContact O-N 2.93Å; L368-S370 VanDerWaalsContact O-N 3.14Å; S370-S372 PolarHBondContact O-N 3.17Å
371P44.3Very low57.9Low78 Ų7893 Ų9351%0.50650%0.5SS..PPolyproline II helixtrans-57.2132175.421.1-28.7000107.7P369 N373 T378P369-P371 VanDerWaalsContact O-N 3.14Å; P371-N373 PolarHBondContact O-N 3.44Å; P371-T378 HydrophobicContact CG-CG2 3.91Å
372S46.2Very low57.3Low117 Ų11793.4 Ų93.482%0.81850%0.504SS*.SBendtrans-67.815.2-172.760.10000114.6S370S370-S372 PolarHBondContact O-N 3.17Å
373N40.7Very low57.1Low119 Ų11992.8 Ų92.864%0.63651%0.506SS*.SBendtrans-124.8130.6-179.9-74.9-14.9000109.8P371 D375P371-N373 PolarHBondContact O-N 3.44Å; N373-D375 PolarHBondContact O-N 3.08Å
374N40.3Very low57.2Low165 Ų16592.4 Ų92.488%0.88250%0.504SS*.  trans-63.142.5-175.1-73.4-22.5000115.6E376N374-E376 VanDerWaalsContact C-N 3.35Å; N374-E376 PolarHBondContact O-N 3.32Å; N374-E376 VanDerWaalsContact O-N 3.07Å
375D39.2Very low57.1Low118 Ų11896.8 Ų96.863%0.63152%0.521SS*.  trans-8088.7166.7-72.2-24.9000108.4N373 K377 T378N373-D375 PolarHBondContact O-N 3.08Å; D375-K377 PolarHBondContact O-N 3.26Å; D375-T378 HydrophobicContact CB-CG2 4.36Å; D375-T378 PolarHBondContact O-N 2.75Å; D375-T378 PolarHBondContact O-OG1 3.29Å
376E39.8Very low56.8Low196 Ų19699.4 Ų99.492%0.91653%0.531SS*.THydrogen-bonded Turntrans-55.93.7176.1-78.8-175.2151.900115N374N374-E376 VanDerWaalsContact C-N 3.35Å; N374-E376 PolarHBondContact O-N 3.32Å; N374-E376 VanDerWaalsContact O-N 3.07Å
377K39.3Very low56.9Low196 Ų19696.3 Ų96.385%0.85251%0.514SS*.THydrogen-bonded Turntrans-108.99.9171.9-73.7-175.5179.1176.50113.9D375 I379D375-K377 PolarHBondContact O-N 3.26Å; K377-I379 VanDerWaalsContact C-N 3.34Å; K377-I379 PolarHBondContact O-N 3.13Å
378T40.8Very low57.5Low70 Ų7094.7 Ų94.743%0.42952%0.52SS..  trans-68.596.6171.336.10000108.7P371 D375 N380P371-T378 HydrophobicContact CG-CG2 3.91Å; D375-T378 HydrophobicContact CB-CG2 4.36Å; D375-T378 PolarHBondContact O-N 2.75Å; D375-T378 PolarHBondContact O-OG1 3.29Å; T378-N380 PolarHBondContact O-N 3.4Å
379I47.7Very low58.4Low76 Ų7694.5 Ų94.539%0.3952%0.519SS..  trans-42.6118.3163.4-59.1169.4000105.6K377 N381K377-I379 VanDerWaalsContact C-N 3.34Å; K377-I379 PolarHBondContact O-N 3.13Å; I379-N381 WeakPolarHBondContact CG2-OD1 3.28Å; I379-N381 PolarHBondContact O-N 3.44Å
380N50.7Low60Low107 Ų10790.5 Ų90.557%0.57249%0.494SS*.  trans-60.485.4170.4-82.5-21.2000107.2S180 T378 V382S180-N380 WeakPolarHBondContact CB-O 3.34Å; S180-N380 WeakPolarHBondContact O-CB 3.08Å; S180-N380 PolarHBondContact OG-O 3.21Å; S180-N380 VanDerWaalsContact OG-O 3.1Å; T378-N380 PolarHBondContact O-N 3.4Å; N380-V382 PolarHBondContact O-N 2.76Å
381N65.8Low61.7Low80 Ų8088.6 Ų88.643%0.42848%0.475SS..  trans-74119.7178.5-81.4-10.7000105.9L368 I379L368-N381 WeakPolarHBondContact CD1-O 3.41Å; I379-N381 WeakPolarHBondContact CG2-OD1 3.28Å; I379-N381 PolarHBondContact O-N 3.44Å
382V74.3Confident63.4Low18 Ų1888 Ų8811%0.10947%0.466CS..EExtended strand (participates in β ladder)trans-93134.7176-164.30000107.1C179 Y361 F365 N380C179-V382 HydrophobicContact CB-CG2 4.35Å; C179-V382 VanDerWaalsContact O-CG2 3.32Å; C179-V382 WeakPolarHBondContact O-CG2 3.29Å; Y361-V382 HydrophobicContact CE2-CG1 4.04Å; F365-V382 HydrophobicContact CB-CG1 3.26Å; F365-V382 HydrophobicContact CD1-CB 3.98Å; F365-V382 HydrophobicContact CD1-CG1 3.25Å; F365-V382 HydrophobicContact CD2-CG1 4.45Å; F365-V382 HydrophobicContact CE1-CG1 4.19Å; F365-V382 HydrophobicContact CG-CB 4.47Å; F365-V382 HydrophobicContact CG-CG1 3.4Å; N380-V382 PolarHBondContact O-N 2.76Å
383V80.7Confident65.2Low76 Ų7682.5 Ų82.546%0.46143%0.427SS..EExtended strand (participates in β ladder)trans-106.3139.1176.9167.40000109.8F365 D366 L368 R385F365-V383 WeakPolarHBondContact CA-O 3.3Å; D366-V383 PolarHBondContact N-O 2.68Å; D366-V383 PolarHBondContact O-N 3.32Å; L368-V383 HydrophobicContact CD1-CB 3.81Å; L368-V383 HydrophobicContact CD1-CG2 3.26Å; V383-R385 PolarHBondContact O-N 2.91Å
384L83Confident67.2Low11 Ų1177.3 Ų77.36%0.05840%0.4CS..EExtended strand (participates in β ladder)trans-66.3125.7173.8-69.9165.2000109.1W160 L364 F365 Y386 F387 Y393W160-L384 HydrophobicContact CH2-CD1 3.87Å; W160-L384 HydrophobicContact CH2-CD2 4.46Å; W160-L384 HydrophobicContact CH2-CG 4.48Å; W160-L384 HydrophobicContact CZ2-CD1 3.91Å; W160-L384 HydrophobicContact CZ2-CG 4.29Å; L364-L384 WeakPolarHBondContact O-CA 3.31Å; F365-L384 HydrophobicContact CD1-CD2 4.06Å; F365-L384 HydrophobicContact CE1-CD2 3.48Å; F365-L384 VanDerWaalsContact CE1-CD2 3.48Å; F365-L384 HydrophobicContact CE1-CG 4.06Å; F365-L384 HydrophobicContact CZ-CD2 3.89Å; L384-Y386 PolarHBondContact O-N 3.07Å; L384-F387 HydrophobicContact CB-CB 4.06Å; L384-F387 HydrophobicContact CB-CD2 4.21Å; L384-F387 HydrophobicContact CD1-CB 4.14Å; L384-F387 HydrophobicContact CD2-CD2 4.45Å; L384-Y393 HydrophobicContact CD1-CG 4.1Å; L384-Y393 HydrophobicContact CD2-CD2 4.48Å; L384-Y393 HydrophobicContact CD2-CG 4.46Å
385R81.6Confident69.1Low92 Ų9274.3 Ų74.335%0.34738%0.379SS..SBendtrans-62.3-43.1-176.3-66.3-156.6173.6148.311.5113.9E362 L363 L364 F365 D366 V383E362-R385 PolarHBondContact O-NH1 3.26Å; E362-R385 PolarHBondContact O-NH2 3.49Å; L363-R385 WeakPolarHBondContact O-CD 3.19Å; L364-R385 PolarHBondContact O-N 3.11Å; F365-R385 VanDerWaalsContact C-CG 3.44Å; F365-R385 VanDerWaalsContact O-CZ 3.26Å; F365-R385 PolarHBondContact O-NE 2.99Å; F365-R385 PolarHBondContact O-NH2 3.4Å; D366-R385 HydrophobicContact CB-CG 4.18Å; D366-R385 VanDerWaalsContact CG-CG 3.47Å; D366-R385 WeakPolarHBondContact OD1-CD 3.46Å; D366-R385 IonicContact OD1-CZ 2.66Å; D366-R385 IonicContact OD1-NE 3.16Å; D366-R385 PolarHBondContact OD1-NE 3.5Å; D366-R385 IonicContact OD1-NH2 2.65Å; D366-R385 WeakPolarHBondContact OD2-CG 3.37Å; V383-R385 PolarHBondContact O-N 2.91Å
386Y80.1Confident71.1Confident55 Ų5571 Ų7122%0.21636%0.36CS..SBendtrans-112.53.3-164.2-49.5-62.7000113.6L302 I325 L363 L384L302-Y386 HydrophobicContact CD2-CD2 4.1Å; I325-Y386 HydrophobicContact CD1-CD1 4.48Å; I325-Y386 HydrophobicContact CD1-CD2 4.44Å; I325-Y386 HydrophobicContact CD1-CE1 3.76Å; I325-Y386 HydrophobicContact CD1-CE2 3.69Å; I325-Y386 VanDerWaalsContact CD1-OH 3.31Å; I325-Y386 WeakPolarHBondContact CD1-OH 3.2Å; I325-Y386 HydrophobicContact CG1-CE2 4.43Å; L363-Y386 WeakPolarHBondContact O-CE2 3.22Å; L384-Y386 PolarHBondContact O-N 3.07Å
387F81.5Confident73.1Confident11 Ų1161.7 Ų61.75%0.04832%0.318CS..  trans-126.2135.5-173.7-57.7-86.2000109.2A301 L302 I305 L364 L384 N389 Y393 L396A301-F387 HydrophobicContact CB-CE1 3.79Å; A301-F387 HydrophobicContact CB-CZ 3.58Å; L302-F387 HydrophobicContact CD2-CE2 4.35Å; L302-F387 HydrophobicContact CD2-CZ 4.3Å; I305-F387 HydrophobicContact CD1-CD1 3.98Å; I305-F387 HydrophobicContact CD1-CE1 3.35Å; I305-F387 HydrophobicContact CD1-CE2 4.15Å; I305-F387 HydrophobicContact CD1-CZ 3.43Å; I305-F387 VanDerWaalsContact CD1-CZ 3.43Å; I305-F387 HydrophobicContact CG1-CE1 4.19Å; L364-F387 HydrophobicContact CD2-CE2 4.45Å; L384-F387 HydrophobicContact CB-CB 4.06Å; L384-F387 HydrophobicContact CB-CD2 4.21Å; L384-F387 HydrophobicContact CD1-CB 4.14Å; L384-F387 HydrophobicContact CD2-CD2 4.45Å; F387-N389 VanDerWaalsContact C-N 3.26Å; F387-N389 PolarHBondContact O-N 3.33Å; F387-Y393 HydrophobicContact CD1-CD2 4.15Å; F387-Y393 AromaticContact CD2-CD2 3.71Å; F387-Y393 HydrophobicContact CD2-CD2 3.71Å; F387-Y393 HydrophobicContact CD2-CG 4.43Å; F387-Y393 AromaticContact CE1-CD2 3.94Å; F387-Y393 HydrophobicContact CE1-CD2 3.94Å; F387-Y393 AromaticContact CE2-CD2 3.51Å; F387-Y393 HydrophobicContact CE2-CD2 3.51Å; F387-Y393 HydrophobicContact CE2-CE2 4.05Å; F387-Y393 HydrophobicContact CG-CD2 4.04Å; F387-Y393 HydrophobicContact CG-CG 4.45Å; F387-Y393 AromaticContact CZ-CD2 3.64Å; F387-Y393 HydrophobicContact CZ-CD2 3.64Å; F387-Y393 HydrophobicContact CZ-CE2 4.19Å; F387-L396 HydrophobicContact CD1-CD1 3.97Å; F387-L396 HydrophobicContact CE1-CD1 3.78Å
388S78.3Confident75.1Confident104 Ų10458.1 Ų58.173%0.72730%0.302SS*.SBendtrans-67.6-31.3-175.2-39.50000111.7E392S388-E392 WeakPolarHBondContact CA-OE2 3.38Å; S388-E392 WeakPolarHBondContact CB-OE2 3.41Å; S388-E392 PolarHBondContact N-OE2 3.03Å; S388-E392 PolarHBondContact OG-OE2 2.9Å
389N79.3Confident77.1Confident82 Ų8256 Ų5644%0.43929%0.292SS..SBendtrans-156.7164.6176.859.569.7000111.5F387 L391 E392 Y393F387-N389 VanDerWaalsContact C-N 3.26Å; F387-N389 PolarHBondContact O-N 3.33Å; N389-L391 PolarHBondContact O-N 3.22Å; N389-L391 WeakPolarHBondContact OD1-CA 3.49Å; N389-L391 WeakPolarHBondContact OD1-CB 3.25Å; N389-L391 PolarHBondContact OD1-N 2.73Å; N389-L391 VanDerWaalsContact OD1-N 3.08Å; N389-E392 PolarHBondContact O-N 2.8Å; N389-E392 PolarHBondContact OD1-N 3.15Å; N389-Y393 PolarHBondContact O-N 2.79Å
390S82.1Confident78.8Confident29 Ų2953.8 Ų53.820%0.20328%0.279CS..Hα-helixtrans-58.8-33.7178.9-44.80000113.1F158 W160 Y393 L394F158-S390 WeakPolarHBondContact CD2-OG 3.28Å; W160-S390 WeakPolarHBondContact CZ2-OG 3.38Å; S390-Y393 PolarHBondContact O-N 3.11Å; S390-L394 VanDerWaalsContact O-CG 3.31Å; S390-L394 WeakPolarHBondContact O-CG 3.13Å; S390-L394 PolarHBondContact O-N 3.42Å
391L79.4Confident80.3Confident60 Ų6049.8 Ų49.831%0.31426%0.259SS..Hα-helixtrans-70.3-39.8-178.1-179.461.2000112I154 N389 L394 K395I154-L391 HydrophobicContact CD1-CD1 3.59Å; N389-L391 PolarHBondContact O-N 3.22Å; N389-L391 WeakPolarHBondContact OD1-CA 3.49Å; N389-L391 WeakPolarHBondContact OD1-CB 3.25Å; N389-L391 PolarHBondContact OD1-N 2.73Å; N389-L391 VanDerWaalsContact OD1-N 3.08Å; L391-L394 PolarHBondContact O-N 2.85Å; L391-K395 WeakPolarHBondContact O-CG 3.48Å; L391-K395 PolarHBondContact O-N 2.77Å
392E80Confident81Confident67 Ų6746.4 Ų46.431%0.31324%0.24SC..Hα-helixtrans-58.7-48.7173.2-178.2179.9-163.200110.2S388 N389 L394 K395 L396S388-E392 WeakPolarHBondContact CA-OE2 3.38Å; S388-E392 WeakPolarHBondContact CB-OE2 3.41Å; S388-E392 PolarHBondContact N-OE2 3.03Å; S388-E392 PolarHBondContact OG-OE2 2.9Å; N389-E392 PolarHBondContact O-N 2.8Å; N389-E392 PolarHBondContact OD1-N 3.15Å; E392-L394 PolarHBondContact O-N 3.13Å; E392-K395 PolarHBondContact O-N 2.68Å; E392-L396 HydrophobicContact CG-CD1 3.92Å; E392-L396 HydrophobicContact CG-CG 4.49Å; E392-L396 WeakPolarHBondContact O-CG 3.47Å; E392-L396 PolarHBondContact O-N 3.42Å
393Y84.3Confident81Confident0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-58.2-47.9175.8172.5-97000112.6W160 I252 S296 A301 L384 F387 N389 S390 K395 L396 S397W160-Y393 HydrophobicContact CH2-CD1 4.03Å; W160-Y393 AromaticContact CZ3-CD1 3.89Å; W160-Y393 HydrophobicContact CZ3-CD1 3.89Å; W160-Y393 AromaticContact CZ3-CE1 3.96Å; W160-Y393 HydrophobicContact CZ3-CE1 3.96Å; I252-Y393 HydrophobicContact CD1-CE1 4.29Å; I252-Y393 HydrophobicContact CG1-CE1 4.33Å; I252-Y393 VanDerWaalsContact CG2-OH 3.22Å; I252-Y393 WeakPolarHBondContact CG2-OH 3.29Å; S296-Y393 WeakPolarHBondContact OG-CE1 3.36Å; S296-Y393 PolarHBondContact OG-OH 2.78Å; A301-Y393 HydrophobicContact CB-CD2 4.01Å; A301-Y393 HydrophobicContact CB-CE2 3.9Å; L384-Y393 HydrophobicContact CD1-CG 4.1Å; L384-Y393 HydrophobicContact CD2-CD2 4.48Å; L384-Y393 HydrophobicContact CD2-CG 4.46Å; F387-Y393 HydrophobicContact CD1-CD2 4.15Å; F387-Y393 AromaticContact CD2-CD2 3.71Å; F387-Y393 HydrophobicContact CD2-CD2 3.71Å; F387-Y393 HydrophobicContact CD2-CG 4.43Å; F387-Y393 AromaticContact CE1-CD2 3.94Å; F387-Y393 HydrophobicContact CE1-CD2 3.94Å; F387-Y393 AromaticContact CE2-CD2 3.51Å; F387-Y393 HydrophobicContact CE2-CD2 3.51Å; F387-Y393 HydrophobicContact CE2-CE2 4.05Å; F387-Y393 HydrophobicContact CG-CD2 4.04Å; F387-Y393 HydrophobicContact CG-CG 4.45Å; F387-Y393 AromaticContact CZ-CD2 3.64Å; F387-Y393 HydrophobicContact CZ-CD2 3.64Å; F387-Y393 HydrophobicContact CZ-CE2 4.19Å; N389-Y393 PolarHBondContact O-N 2.79Å; S390-Y393 PolarHBondContact O-N 3.11Å; Y393-K395 VanDerWaalsContact C-N 3.29Å; Y393-K395 PolarHBondContact O-N 2.88Å; Y393-L396 PolarHBondContact O-N 3.03Å; Y393-S397 VanDerWaalsContact O-CB 3.27Å; Y393-S397 WeakPolarHBondContact O-CB 3.41Å; Y393-S397 PolarHBondContact O-N 3.11Å; Y393-S397 PolarHBondContact O-OG 2.85Å
394L83.5Confident80.9Confident11 Ų1143.3 Ų43.36%0.05822%0.219CC..Hα-helixtrans-62.6-36.8-179.8-70.4176.3000112.3F158 Y294 S390 L391 E392 S397 K398 A399F158-L394 HydrophobicContact CE1-CD1 3.75Å; F158-L394 HydrophobicContact CZ-CD1 3.58Å; Y294-L394 HydrophobicContact CD1-CD1 4.4Å; Y294-L394 HydrophobicContact CD1-CD2 4.5Å; Y294-L394 HydrophobicContact CG-CD1 4.4Å; Y294-L394 HydrophobicContact CG-CD2 4.32Å; S390-L394 VanDerWaalsContact O-CG 3.31Å; S390-L394 WeakPolarHBondContact O-CG 3.13Å; S390-L394 PolarHBondContact O-N 3.42Å; L391-L394 PolarHBondContact O-N 2.85Å; E392-L394 PolarHBondContact O-N 3.13Å; L394-S397 WeakPolarHBondContact CA-OG 3.4Å; L394-S397 PolarHBondContact O-OG 3.5Å; L394-K398 PolarHBondContact O-N 3.47Å; L394-A399 HydrophobicContact CB-CB 4.02Å; L394-A399 HydrophobicContact CD2-CB 3.48Å; L394-A399 VanDerWaalsContact CD2-CB 3.48Å; L394-A399 HydrophobicContact CG-CB 4.32Å; L394-A399 WeakPolarHBondContact O-CB 3.34Å; L394-A399 PolarHBondContact O-N 3.19Å
395K79.9Confident80.9Confident101 Ų10142.8 Ų42.844%0.43922%0.217SC..Hα-helixtrans-65.7-51.2175-74.8178.6179.1-174.50111.3L391 E392 Y393 S397 K398L391-K395 WeakPolarHBondContact O-CG 3.48Å; L391-K395 PolarHBondContact O-N 2.77Å; E392-K395 PolarHBondContact O-N 2.68Å; Y393-K395 VanDerWaalsContact C-N 3.29Å; Y393-K395 PolarHBondContact O-N 2.88Å; K395-S397 VanDerWaalsContact C-N 3.35Å; K395-S397 PolarHBondContact O-N 3.08Å; K395-K398 PolarHBondContact O-N 3.15Å; K395-K398 VanDerWaalsContact O-N 3.16Å
396L80.5Confident80.8Confident48 Ų4838.6 Ų38.625%0.25120%0.201SC..Hα-helixtrans-66.7-35.5-178-67.3174.9000112.5A301 T304 F387 E392 Y393 K398A301-L396 HydrophobicContact CB-CB 3.98Å; T304-L396 HydrophobicContact CG2-CD2 3.72Å; F387-L396 HydrophobicContact CD1-CD1 3.97Å; F387-L396 HydrophobicContact CE1-CD1 3.78Å; E392-L396 HydrophobicContact CG-CD1 3.92Å; E392-L396 HydrophobicContact CG-CG 4.49Å; E392-L396 WeakPolarHBondContact O-CG 3.47Å; E392-L396 PolarHBondContact O-N 3.42Å; Y393-L396 PolarHBondContact O-N 3.03Å; L396-K398 PolarHBondContact O-N 2.71Å
397S82.2Confident80.7Confident2 Ų236 Ų361%0.01419%0.191CC..THydrogen-bonded Turntrans-77.8-4.4176.360.40000114S296 Y393 L394 K395 A399S296-S397 WeakPolarHBondContact CB-OG 3.48Å; Y393-S397 VanDerWaalsContact O-CB 3.27Å; Y393-S397 WeakPolarHBondContact O-CB 3.41Å; Y393-S397 PolarHBondContact O-N 3.11Å; Y393-S397 PolarHBondContact O-OG 2.85Å; L394-S397 WeakPolarHBondContact CA-OG 3.4Å; L394-S397 PolarHBondContact O-OG 3.5Å; K395-S397 VanDerWaalsContact C-N 3.35Å; K395-S397 PolarHBondContact O-N 3.08Å; S397-A399 VanDerWaalsContact C-N 3.27Å; S397-A399 PolarHBondContact O-N 3.15Å
398K81.1Confident80.4Confident121 Ų12135.5 Ų35.553%0.52619%0.189SC..THydrogen-bonded Turntrans5147.3-173.1-59.7179.4179.3177.20111.9L394 K395 L396 K400L394-K398 PolarHBondContact O-N 3.47Å; K395-K398 PolarHBondContact O-N 3.15Å; K395-K398 VanDerWaalsContact O-N 3.16Å; L396-K398 PolarHBondContact O-N 2.71Å; K398-K400 VanDerWaalsContact O-CD 3.26Å; K398-K400 WeakPolarHBondContact O-CD 3.49Å; K398-K400 VanDerWaalsContact O-CE 3.27Å; K398-K400 WeakPolarHBondContact O-CE 3.43Å; K398-K400 PolarHBondContact O-NZ 2.86Å
399A82.8Confident80.3Confident26 Ų2631 Ų3122%0.21516%0.157CC..  trans-53142.2-173.400000112.7Y294 F295 L394 S397Y294-A399 HydrophobicContact CD1-CB 4.36Å; F295-A399 CarbonylContact O-C 3.59Å; F295-A399 WeakPolarHBondContact O-CA 3.41Å; L394-A399 HydrophobicContact CB-CB 4.02Å; L394-A399 HydrophobicContact CD2-CB 3.48Å; L394-A399 VanDerWaalsContact CD2-CB 3.48Å; L394-A399 HydrophobicContact CG-CB 4.32Å; L394-A399 WeakPolarHBondContact O-CB 3.34Å; L394-A399 PolarHBondContact O-N 3.19Å; S397-A399 VanDerWaalsContact C-N 3.27Å; S397-A399 PolarHBondContact O-N 3.15Å
400K83.7Confident80Confident29 Ų2927.8 Ų27.813%0.12614%0.139CC..EExtended strand (participates in β ladder)trans-108.1150.2-177.1-53.3-50.3-171.5-1730110.2I269 Y294 F295 K398 W404 M405I269-K400 HydrophobicContact CG2-CG 4.4Å; Y294-K400 CarbonylContact C-O 3.54Å; Y294-K400 WeakPolarHBondContact CA-O 3.4Å; F295-K400 HydrophobicContact CB-CB 4.49Å; F295-K400 WeakPolarHBondContact CD2-O 3.48Å; F295-K400 PolarHBondContact N-O 3.31Å; F295-K400 PolarHBondContact O-N 3.2Å; K398-K400 VanDerWaalsContact O-CD 3.26Å; K398-K400 WeakPolarHBondContact O-CD 3.49Å; K398-K400 VanDerWaalsContact O-CE 3.27Å; K398-K400 WeakPolarHBondContact O-CE 3.43Å; K398-K400 PolarHBondContact O-NZ 2.86Å; K400-W404 HydrophobicContact CB-CB 4.19Å; K400-W404 HydrophobicContact CB-CD2 3.89Å; K400-W404 HydrophobicContact CB-CE3 3.61Å; K400-W404 HydrophobicContact CB-CG 4.13Å; K400-W404 HydrophobicContact CB-CZ3 4.31Å; K400-W404 HydrophobicContact CD-CD2 3.44Å; K400-W404 VanDerWaalsContact CD-CD2 3.44Å; K400-W404 HydrophobicContact CD-CE3 3.81Å; K400-W404 HydrophobicContact CD-CG 3.78Å; K400-W404 HydrophobicContact CD-CH2 4.32Å; K400-W404 HydrophobicContact CD-CZ2 4.01Å; K400-W404 HydrophobicContact CD-CZ3 4.22Å; K400-W404 HydrophobicContact CG-CD2 3.72Å; K400-W404 HydrophobicContact CG-CE3 3.51Å; K400-W404 HydrophobicContact CG-CG 4.3Å; K400-W404 HydrophobicContact CG-CH2 4.28Å; K400-W404 HydrophobicContact CG-CZ2 4.47Å; K400-W404 HydrophobicContact CG-CZ3 3.81Å; K400-M405 HydrophobicContact CB-CE 4.43Å
401T82.7Confident79.7Confident23 Ų2326.5 Ų26.514%0.14113%0.13CC..EExtended strand (participates in β ladder)trans-104.4170.4173.462.80000110.3Y294 M403 W404 M405Y294-T401 HydrophobicContact CD1-CG2 4.13Å; Y294-T401 HydrophobicContact CE1-CG2 3.93Å; T401-M403 PolarHBondContact O-N 2.9Å; T401-M403 PolarHBondContact OG1-N 2.98Å; T401-W404 WeakPolarHBondContact O-CB 3.42Å; T401-W404 PolarHBondContact O-N 3.28Å; T401-W404 PolarHBondContact OG1-N 3.41Å; T401-M405 WeakPolarHBondContact O-CG 3.43Å; T401-M405 PolarHBondContact O-N 3.46Å
402I80.5Confident79.5Confident8 Ų826.2 Ų26.24%0.04113%0.125CC..Hα-helixtrans-57.9-36.5173.2-56.6175000111.2I276 Q289 P290 C293 F295 W404 M405 E406I276-I402 HydrophobicContact CG2-CG2 4.49Å; Q289-I402 HydrophobicContact CG-CD1 3.69Å; Q289-I402 VanDerWaalsContact NE2-CD1 3.29Å; P290-I402 VanDerWaalsContact O-CD1 3.29Å; P290-I402 WeakPolarHBondContact O-CD1 3.34Å; C293-I402 HydrophobicContact CB-CD1 4Å; C293-I402 HydrophobicContact CB-CG1 4.21Å; F295-I402 HydrophobicContact CE2-CG1 3.64Å; F295-I402 HydrophobicContact CZ-CG1 3.93Å; I402-W404 VanDerWaalsContact C-N 3.3Å; I402-W404 PolarHBondContact O-N 3.44Å; I402-M405 WeakPolarHBondContact O-CB 3.41Å; I402-M405 PolarHBondContact O-N 3.3Å; I402-M405 VanDerWaalsContact O-N 3.11Å; I402-E406 HydrophobicContact CG2-CG 4.48Å; I402-E406 WeakPolarHBondContact O-CG 3.39Å; I402-E406 PolarHBondContact O-N 2.85Å
403M74.6Confident79Confident18 Ų1824.9 Ų24.99%0.08912%0.12CC..Hα-helixtrans-61.4-41.2175.9-48.6-164.6-32.300111.6L149 P150 T401 M405 E406 A407 V454 R460L149-M403 HydrophobicContact CD2-CE 4.41Å; L149-M403 HydrophobicContact CD2-SD 3.94Å; P150-M403 VanDerWaalsContact CD-SD 3.58Å; T401-M403 PolarHBondContact O-N 2.9Å; T401-M403 PolarHBondContact OG1-N 2.98Å; M403-M405 VanDerWaalsContact C-N 3.33Å; M403-M405 PolarHBondContact O-N 2.82Å; M403-E406 CarbonylContact O-C 3.55Å; M403-E406 PolarHBondContact O-N 2.9Å; M403-A407 PolarHBondContact O-N 2.92Å; M403-V454 VanDerWaalsContact CE-CA 3.46Å; M403-V454 HydrophobicContact CE-CB 4.5Å; M403-V454 HydrophobicContact CE-CG1 4.4Å; M403-V454 WeakPolarHBondContact CE-O 3.3Å; M403-R460 PolarHBondContact SD-NH1 2.81Å
404W78.8Confident78.3Confident11 Ų1125.7 Ų25.74%0.04212%0.124CC..Hα-helixtrans-64-40.1174.7-172.794.7000111.5I269 K400 T401 I402 E406 A407 P408I269-W404 HydrophobicContact CG2-CZ3 4.11Å; K400-W404 HydrophobicContact CB-CB 4.19Å; K400-W404 HydrophobicContact CB-CD2 3.89Å; K400-W404 HydrophobicContact CB-CE3 3.61Å; K400-W404 HydrophobicContact CB-CG 4.13Å; K400-W404 HydrophobicContact CB-CZ3 4.31Å; K400-W404 HydrophobicContact CD-CD2 3.44Å; K400-W404 VanDerWaalsContact CD-CD2 3.44Å; K400-W404 HydrophobicContact CD-CE3 3.81Å; K400-W404 HydrophobicContact CD-CG 3.78Å; K400-W404 HydrophobicContact CD-CH2 4.32Å; K400-W404 HydrophobicContact CD-CZ2 4.01Å; K400-W404 HydrophobicContact CD-CZ3 4.22Å; K400-W404 HydrophobicContact CG-CD2 3.72Å; K400-W404 HydrophobicContact CG-CE3 3.51Å; K400-W404 HydrophobicContact CG-CG 4.3Å; K400-W404 HydrophobicContact CG-CH2 4.28Å; K400-W404 HydrophobicContact CG-CZ2 4.47Å; K400-W404 HydrophobicContact CG-CZ3 3.81Å; T401-W404 WeakPolarHBondContact O-CB 3.42Å; T401-W404 PolarHBondContact O-N 3.28Å; T401-W404 PolarHBondContact OG1-N 3.41Å; I402-W404 VanDerWaalsContact C-N 3.3Å; I402-W404 PolarHBondContact O-N 3.44Å; W404-E406 PolarHBondContact O-N 3.14Å; W404-A407 WeakPolarHBondContact O-CB 3.37Å; W404-A407 PolarHBondContact O-N 3.37Å; W404-P408 WeakPolarHBondContact O-CD 3.4Å
405M82.4Confident77.7Confident0 Ų027.8 Ų27.80%013%0.131CC..Hα-helixtrans-61.5-30.3176.6-63.7-65.2-163.700112.7I269 L272 S273 I276 F295 K400 T401 I402 M403I269-M405 HydrophobicContact CB-CE 4.42Å; I269-M405 HydrophobicContact CG2-CE 3.62Å; I269-M405 HydrophobicContact CG2-SD 4.08Å; L272-M405 HydrophobicContact CD2-CE 4.4Å; S273-M405 VanDerWaalsContact CB-SD 3.55Å; S273-M405 PolarHBondContact OG-O 3.31Å; I276-M405 HydrophobicContact CD1-CB 4.06Å; I276-M405 HydrophobicContact CD1-CG 4.02Å; F295-M405 HydrophobicContact CB-CE 3.41Å; F295-M405 VanDerWaalsContact CB-CE 3.41Å; F295-M405 HydrophobicContact CD1-CE 4.05Å; F295-M405 HydrophobicContact CD2-CE 3.47Å; F295-M405 VanDerWaalsContact CD2-CE 3.47Å; F295-M405 HydrophobicContact CD2-CG 4.06Å; F295-M405 HydrophobicContact CE2-CE 4.27Å; F295-M405 HydrophobicContact CE2-CG 4.18Å; F295-M405 HydrophobicContact CG-CE 3.35Å; K400-M405 HydrophobicContact CB-CE 4.43Å; T401-M405 WeakPolarHBondContact O-CG 3.43Å; T401-M405 PolarHBondContact O-N 3.46Å; I402-M405 WeakPolarHBondContact O-CB 3.41Å; I402-M405 PolarHBondContact O-N 3.3Å; I402-M405 VanDerWaalsContact O-N 3.11Å; M403-M405 VanDerWaalsContact C-N 3.33Å; M403-M405 PolarHBondContact O-N 2.82Å
406E79.9Confident77.2Confident5 Ų528.1 Ų28.12%0.02313%0.132CC..Hα-helixtrans-91.9-18.9178.5-66.4-179.6160.100113.6I276 R286 I402 M403 W404 P408 I409 E410I276-E406 HydrophobicContact CG2-CG 4.17Å; R286-E406 IonicContact CZ-OE1 3.41Å; R286-E406 IonicContact NH1-OE1 3.85Å; R286-E406 PolarHBondContact NH1-OE1 2.78Å; R286-E406 IonicContact NH1-OE2 2.68Å; R286-E406 IonicContact NH2-OE1 3.97Å; R286-E406 PolarHBondContact NH2-OE1 2.96Å; R286-E406 IonicContact NH2-OE2 2.77Å; I402-E406 HydrophobicContact CG2-CG 4.48Å; I402-E406 WeakPolarHBondContact O-CG 3.39Å; I402-E406 PolarHBondContact O-N 2.85Å; M403-E406 CarbonylContact O-C 3.55Å; M403-E406 PolarHBondContact O-N 2.9Å; W404-E406 PolarHBondContact O-N 3.14Å; E406-P408 VanDerWaalsContact C-N 3.32Å; E406-P408 VanDerWaalsContact O-N 3.15Å; E406-I409 HydrophobicContact CB-CG2 4.45Å; E406-I409 WeakPolarHBondContact O-CG2 3.3Å; E406-I409 PolarHBondContact O-N 2.86Å; E406-E410 HydrophobicContact CB-CG 4.48Å; E406-E410 PolarHBondContact O-N 3.01Å
407A76.3Confident76.3Confident0 Ų027.4 Ų27.40%013%0.128CC..Hα-helixtrans-51.8-40-176.200000114.4L109 M403 W404 I409 E410 L411 A452 L453L109-A407 HydrophobicContact CD1-CB 3.74Å; M403-A407 PolarHBondContact O-N 2.92Å; W404-A407 WeakPolarHBondContact O-CB 3.37Å; W404-A407 PolarHBondContact O-N 3.37Å; A407-I409 VanDerWaalsContact C-N 3.31Å; A407-I409 PolarHBondContact O-N 2.92Å; A407-E410 PolarHBondContact O-N 3.35Å; A407-L411 VanDerWaalsContact O-CB 3.27Å; A407-L411 WeakPolarHBondContact O-CB 3.16Å; A407-L411 PolarHBondContact O-N 3.16Å; A407-A452 WeakPolarHBondContact CA-O 3.14Å; A407-A452 HydrophobicContact CB-CB 4.38Å; A407-A452 VanDerWaalsContact CB-O 3.26Å; A407-A452 WeakPolarHBondContact CB-O 3.27Å; A407-A452 WeakPolarHBondContact O-CB 3.17Å; A407-L453 HydrophobicContact CB-CD2 4.15Å
408P77.2Confident75.2Confident1 Ų129.3 Ų29.31%0.00614%0.137CC..Hα-helixtrans-59.1-40.4177-25.534.2000113.5I102 L105 L109 W404 E406 Y412I102-P408 HydrophobicContact CG2-CB 3.38Å; L105-P408 HydrophobicContact CB-CB 4.25Å; L109-P408 HydrophobicContact CD1-CB 4.43Å; L109-P408 HydrophobicContact CD1-CG 3.98Å; W404-P408 WeakPolarHBondContact O-CD 3.4Å; E406-P408 VanDerWaalsContact C-N 3.32Å; E406-P408 VanDerWaalsContact O-N 3.15Å; P408-Y412 PolarHBondContact O-N 2.97Å; P408-Y412 VanDerWaalsContact O-N 3.14Å
409I74.9Confident74.4Confident10 Ų1025.9 Ų25.95%0.05113%0.126CC..Hα-helixtrans-78.3-35179.6-173.164000111.7I102 R277 R280 E406 A407 L411 Y412 L413I102-I409 HydrophobicContact CD1-CD1 4.21Å; R277-I409 HydrophobicContact CG-CB 4.42Å; R277-I409 HydrophobicContact CG-CG2 3.89Å; R280-I409 VanDerWaalsContact CZ-CG1 3.42Å; E406-I409 HydrophobicContact CB-CG2 4.45Å; E406-I409 WeakPolarHBondContact O-CG2 3.3Å; E406-I409 PolarHBondContact O-N 2.86Å; A407-I409 VanDerWaalsContact C-N 3.31Å; A407-I409 PolarHBondContact O-N 2.92Å; I409-L411 VanDerWaalsContact C-N 3.35Å; I409-Y412 HydrophobicContact CD1-CD1 4.04Å; I409-Y412 WeakPolarHBondContact O-CB 3.44Å; I409-Y412 PolarHBondContact O-N 3.25Å; I409-L413 WeakPolarHBondContact O-CG 3.43Å; I409-L413 PolarHBondContact O-N 2.98Å
410E73.7Confident73.1Confident14 Ų1426.3 Ų26.37%0.06513%0.129CC..Hα-helixtrans-66.3-39.4174.6-63.7-53.416000111.5E406 A407 Y412 L413 L414 A452 G457 R458E406-E410 HydrophobicContact CB-CG 4.48Å; E406-E410 PolarHBondContact O-N 3.01Å; A407-E410 PolarHBondContact O-N 3.35Å; E410-Y412 VanDerWaalsContact C-N 3.34Å; E410-Y412 PolarHBondContact O-N 3.47Å; E410-L413 PolarHBondContact O-N 3.18Å; E410-L414 WeakPolarHBondContact O-CB 3.25Å; E410-L414 VanDerWaalsContact O-CG 3.26Å; E410-L414 WeakPolarHBondContact O-CG 3.31Å; E410-L414 PolarHBondContact O-N 3.42Å; E410-A452 HydrophobicContact CB-CB 4.21Å; E410-G457 WeakPolarHBondContact OE2-CA 3.09Å; E410-R458 PolarHBondContact OE2-N 3.22Å
411L74.8Confident71.5Confident1 Ų125.5 Ų25.51%0.00513%0.127CC..Hα-helixtrans-61-43.9172.8-178.858.5000111.6L105 L109 A407 I409 L413 L414 R415 L448 R449 A452L105-L411 HydrophobicContact CD2-CD2 3.99Å; L109-L411 HydrophobicContact CD2-CD2 4.41Å; A407-L411 VanDerWaalsContact O-CB 3.27Å; A407-L411 WeakPolarHBondContact O-CB 3.16Å; A407-L411 PolarHBondContact O-N 3.16Å; I409-L411 VanDerWaalsContact C-N 3.35Å; L411-L413 VanDerWaalsContact C-N 3.34Å; L411-L413 PolarHBondContact O-N 3.21Å; L411-L414 PolarHBondContact O-N 3.02Å; L411-R415 HydrophobicContact CD1-CG 4.32Å; L411-R415 WeakPolarHBondContact O-CB 2.92Å; L411-R415 WeakPolarHBondContact O-CG 3.33Å; L411-R415 PolarHBondContact O-N 3.18Å; L411-L448 HydrophobicContact CD1-CB 3.76Å; L411-R449 HydrophobicContact CD1-CG 4.08Å; L411-R449 HydrophobicContact CD2-CG 3.88Å; L411-A452 HydrophobicContact CB-CB 3.69Å; L411-A452 HydrophobicContact CD1-CB 4.45Å
412Y76Confident70Confident55 Ų5525.6 Ų25.622%0.21613%0.127CC..Hα-helixtrans-58.9-44.7175.1176.1-96.4000111.8P408 I409 E410 R415 K416P408-Y412 PolarHBondContact O-N 2.97Å; P408-Y412 VanDerWaalsContact O-N 3.14Å; I409-Y412 HydrophobicContact CD1-CD1 4.04Å; I409-Y412 WeakPolarHBondContact O-CB 3.44Å; I409-Y412 PolarHBondContact O-N 3.25Å; E410-Y412 VanDerWaalsContact C-N 3.34Å; E410-Y412 PolarHBondContact O-N 3.47Å; Y412-R415 PolarHBondContact O-N 3.26Å; Y412-K416 HydrophobicContact CD1-CD 4.3Å; Y412-K416 HydrophobicContact CE1-CD 3.61Å; Y412-K416 HydrophobicContact CE1-CG 4.29Å; Y412-K416 PolarHBondContact O-N 3.33Å; Y412-K416 WeakPolarHBondContact OH-CE 3.24Å; Y412-K416 PolarHBondContact OH-NZ 2.96Å
413L69.9Low68.6Low39 Ų3929.7 Ų29.720%0.20415%0.148CC..Hα-helixtrans-65-43.8177-69.9172.6000112.1I409 E410 L411 R415 K416 L417I409-L413 WeakPolarHBondContact O-CG 3.43Å; I409-L413 PolarHBondContact O-N 2.98Å; E410-L413 PolarHBondContact O-N 3.18Å; L411-L413 VanDerWaalsContact C-N 3.34Å; L411-L413 PolarHBondContact O-N 3.21Å; L413-R415 VanDerWaalsContact C-N 3.35Å; L413-R415 PolarHBondContact O-N 2.84Å; L413-K416 PolarHBondContact O-N 2.86Å; L413-L417 WeakPolarHBondContact O-CG 3.35Å; L413-L417 PolarHBondContact O-N 2.99Å
414L68.1Low67.1Low16 Ų1631.9 Ų31.98%0.08416%0.159CC..Hα-helixtrans-62-41.2176.6-72.9172.5000111.9E410 L411 L417 K418 L448 L451 A452 L461E410-L414 WeakPolarHBondContact O-CB 3.25Å; E410-L414 VanDerWaalsContact O-CG 3.26Å; E410-L414 WeakPolarHBondContact O-CG 3.31Å; E410-L414 PolarHBondContact O-N 3.42Å; L411-L414 PolarHBondContact O-N 3.02Å; L414-L417 PolarHBondContact O-N 2.97Å; L414-K418 PolarHBondContact O-N 2.7Å; L414-L448 HydrophobicContact CB-CD2 4.33Å; L414-L451 HydrophobicContact CD1-CB 3.9Å; L414-A452 HydrophobicContact CD1-CB 4.24Å; L414-L461 HydrophobicContact CD2-CD1 4.07Å
415R72.3Confident65.7Low56 Ų5632.9 Ų32.921%0.21117%0.169CC..Hα-helixtrans-65.4-41.8173.9-75178.3173.2-174.40.4111.8D100 L411 Y412 L413 L417 K418 T419 D445 L448D100-R415 IonicContact OD2-CZ 3.13Å; D100-R415 IonicContact OD2-NH1 3.31Å; D100-R415 PolarHBondContact OD2-NH1 2.99Å; L411-R415 HydrophobicContact CD1-CG 4.32Å; L411-R415 WeakPolarHBondContact O-CB 2.92Å; L411-R415 WeakPolarHBondContact O-CG 3.33Å; L411-R415 PolarHBondContact O-N 3.18Å; Y412-R415 PolarHBondContact O-N 3.26Å; L413-R415 VanDerWaalsContact C-N 3.35Å; L413-R415 PolarHBondContact O-N 2.84Å; R415-L417 PolarHBondContact O-N 3.45Å; R415-K418 WeakPolarHBondContact O-CB 3.05Å; R415-K418 PolarHBondContact O-N 3.35Å; R415-T419 PolarHBondContact O-N 3.41Å; R415-T419 PolarHBondContact O-OG1 3.41Å; R415-T419 VanDerWaalsContact O-OG1 3.12Å; R415-D445 IonicContact CZ-OD1 2.88Å; R415-D445 VanDerWaalsContact CZ-OD1 3.31Å; R415-D445 IonicContact CZ-OD2 3.1Å; R415-D445 IonicContact NE-OD1 3.92Å; R415-D445 PolarHBondContact NE-OD1 2.82Å; R415-D445 VanDerWaalsContact NH2-CG 3.28Å; R415-D445 IonicContact NH2-OD1 3.99Å; R415-D445 PolarHBondContact NH2-OD1 3.36Å; R415-D445 IonicContact NH2-OD2 3.89Å; R415-D445 PolarHBondContact NH2-OD2 2.76Å; R415-L448 HydrophobicContact CG-CD1 4.12Å
416K67.9Low63.9Low108 Ų10838 Ų3847%0.4720%0.197SC..Hα-helixtrans-62.4-40.8174-84.2-163.8160.61800112.7Y412 L413 K418 T419 A420Y412-K416 HydrophobicContact CD1-CD 4.3Å; Y412-K416 HydrophobicContact CE1-CD 3.61Å; Y412-K416 HydrophobicContact CE1-CG 4.29Å; Y412-K416 PolarHBondContact O-N 3.33Å; Y412-K416 WeakPolarHBondContact OH-CE 3.24Å; Y412-K416 PolarHBondContact OH-NZ 2.96Å; L413-K416 PolarHBondContact O-N 2.86Å; K416-K418 VanDerWaalsContact C-N 3.34Å; K416-T419 PolarHBondContact O-N 2.84Å; K416-A420 VanDerWaalsContact O-CB 3.31Å; K416-A420 WeakPolarHBondContact O-CB 3.14Å; K416-A420 PolarHBondContact O-N 3.25Å
417L62.2Low62.1Low32 Ų3246 Ų4617%0.16823%0.231CC..Hα-helixtrans-61.2-45.1173.9-74.1166.6000110.7L413 L414 R415 T419 A420 C421 F476 L477L413-L417 WeakPolarHBondContact O-CG 3.35Å; L413-L417 PolarHBondContact O-N 2.99Å; L414-L417 PolarHBondContact O-N 2.97Å; R415-L417 PolarHBondContact O-N 3.45Å; L417-T419 PolarHBondContact O-N 3.17Å; L417-A420 PolarHBondContact O-N 3.5Å; L417-C421 PolarHBondContact O-N 2.96Å; L417-C421 PolarHBondContact O-SG 2.71Å; L417-F476 HydrophobicContact CD2-CE1 3.82Å; L417-F476 HydrophobicContact CD2-CZ 3.97Å; L417-L477 HydrophobicContact CD1-CD2 3.76Å
418K60.4Low60.6Low43 Ų4349.6 Ų49.619%0.18726%0.256CS..Hα-helixtrans-55.4-51.5173.7-177.7177.6177.6176.80111.3L414 R415 K416 A420 C421 N422 L440 N441 I443 L448L414-K418 PolarHBondContact O-N 2.7Å; R415-K418 WeakPolarHBondContact O-CB 3.05Å; R415-K418 PolarHBondContact O-N 3.35Å; K416-K418 VanDerWaalsContact C-N 3.34Å; K418-A420 PolarHBondContact O-N 3.47Å; K418-C421 PolarHBondContact O-N 2.87Å; K418-N422 PolarHBondContact O-N 3.26Å; K418-N422 PolarHBondContact O-OD1 3.16Å; K418-N422 VanDerWaalsContact O-OD1 3.05Å; K418-L440 WeakPolarHBondContact CE-O 2.97Å; K418-N441 VanDerWaalsContact CE-CA 3.47Å; K418-N441 WeakPolarHBondContact CE-O 3.12Å; K418-N441 PolarHBondContact NZ-O 3.46Å; K418-I443 PolarHBondContact NZ-O 3.03Å; K418-L448 HydrophobicContact CD-CD1 3.99Å
419T62.7Low58.8Low49 Ų4955.1 Ų55.130%0.30129%0.29SS..Hα-helixtrans-64-40.7179.1-51.60000112.9R415 K416 L417 C421 N422 I423R415-T419 PolarHBondContact O-N 3.41Å; R415-T419 PolarHBondContact O-OG1 3.41Å; R415-T419 VanDerWaalsContact O-OG1 3.12Å; K416-T419 PolarHBondContact O-N 2.84Å; L417-T419 PolarHBondContact O-N 3.17Å; T419-C421 PolarHBondContact O-N 3.42Å; T419-N422 WeakPolarHBondContact O-CB 3.02Å; T419-N422 PolarHBondContact O-N 3.26Å; T419-I423 HydrophobicContact CG2-CD1 4.49Å; T419-I423 PolarHBondContact O-N 3.13Å
420A55.9Low57Low34 Ų3463 Ų6328%0.28133%0.332SS..Hα-helixtrans-63.6-41178.800000112K416 L417 K418 N422 I423 M424K416-A420 VanDerWaalsContact O-CB 3.31Å; K416-A420 WeakPolarHBondContact O-CB 3.14Å; K416-A420 PolarHBondContact O-N 3.25Å; L417-A420 PolarHBondContact O-N 3.5Å; K418-A420 PolarHBondContact O-N 3.47Å; A420-N422 VanDerWaalsContact C-N 3.29Å; A420-N422 PolarHBondContact O-N 3.14Å; A420-I423 PolarHBondContact O-N 2.82Å; A420-M424 WeakPolarHBondContact O-CG 3.22Å; A420-M424 PolarHBondContact O-N 3.35Å; A420-M424 VanDerWaalsContact O-N 3.12Å
421C50.1Low55.1Low13 Ų1365.6 Ų65.69%0.08836%0.356CS..Hα-helixtrans-60-39.2173.7-70.50000112.3L417 K418 T419 I423 M424 A425 L440 F476L417-C421 PolarHBondContact O-N 2.96Å; L417-C421 PolarHBondContact O-SG 2.71Å; K418-C421 PolarHBondContact O-N 2.87Å; T419-C421 PolarHBondContact O-N 3.42Å; C421-I423 VanDerWaalsContact C-N 3.35Å; C421-I423 PolarHBondContact O-N 2.72Å; C421-M424 PolarHBondContact O-N 3.22Å; C421-A425 WeakPolarHBondContact O-CB 3.36Å; C421-A425 PolarHBondContact O-N 2.92Å; C421-L440 HydrophobicContact CB-CB 4.43Å; C421-L440 HydrophobicContact CB-CD1 3.65Å; C421-F476 WeakPolarHBondContact SG-CZ 3.36Å
422N51.6Low53Low24 Ų2470.2 Ų70.213%0.12839%0.388CS..Hα-helixtrans-60.9-44.4177.3-57.9-15.8000112K418 T419 A420 M424 A425 N426 D439 N441K418-N422 PolarHBondContact O-N 3.26Å; K418-N422 PolarHBondContact O-OD1 3.16Å; K418-N422 VanDerWaalsContact O-OD1 3.05Å; T419-N422 WeakPolarHBondContact O-CB 3.02Å; T419-N422 PolarHBondContact O-N 3.26Å; A420-N422 VanDerWaalsContact C-N 3.29Å; A420-N422 PolarHBondContact O-N 3.14Å; N422-M424 VanDerWaalsContact C-N 3.29Å; N422-M424 PolarHBondContact O-N 3.44Å; N422-A425 PolarHBondContact O-N 2.76Å; N422-N426 WeakPolarHBondContact O-CB 3.45Å; N422-N426 VanDerWaalsContact O-CG 3.27Å; N422-N426 PolarHBondContact O-N 2.79Å; N422-D439 PolarHBondContact OD1-OD1 3.42Å; N422-N441 PolarHBondContact ND2-ND2 2.82Å; N422-N441 PolarHBondContact ND2-OD1 3.16Å; N422-N441 PolarHBondContact OD1-ND2 3.1Å; N422-N441 PolarHBondContact OD1-OD1 3.37Å
423I51.3Low50.9Low95 Ų9573.1 Ų73.149%0.48741%0.412SS..Hα-helixtrans-63.6-39179.6-63.5167.7000110.3T419 A420 C421 K427T419-I423 HydrophobicContact CG2-CD1 4.49Å; T419-I423 PolarHBondContact O-N 3.13Å; A420-I423 PolarHBondContact O-N 2.82Å; C421-I423 VanDerWaalsContact C-N 3.35Å; C421-I423 PolarHBondContact O-N 2.72Å; I423-K427 PolarHBondContact O-N 3.28Å; I423-K427 VanDerWaalsContact O-N 3.1Å
424M43.7Very low49.4Very low64 Ų6479.2 Ų79.232%0.31544%0.444SS..Hα-helixtrans-69-43.3177.2-69.7179.2178.200112.3A420 C421 N422 N426 K427 S428 Y479 V509A420-M424 WeakPolarHBondContact O-CG 3.22Å; A420-M424 PolarHBondContact O-N 3.35Å; A420-M424 VanDerWaalsContact O-N 3.12Å; C421-M424 PolarHBondContact O-N 3.22Å; N422-M424 VanDerWaalsContact C-N 3.29Å; N422-M424 PolarHBondContact O-N 3.44Å; M424-N426 VanDerWaalsContact C-N 3.3Å; M424-N426 PolarHBondContact O-N 2.92Å; M424-K427 PolarHBondContact O-N 3.44Å; M424-S428 PolarHBondContact O-N 3.2Å; M424-S428 VanDerWaalsContact O-N 3.08Å; M424-Y479 HydrophobicContact CE-CE1 4.13Å; M424-V509 HydrophobicContact CE-CG2 4.03Å; M424-V509 HydrophobicContact SD-CB 4.24Å; M424-V509 HydrophobicContact SD-CG1 3.6Å; M424-V509 VanDerWaalsContact SD-CG1 3.6Å; M424-V509 HydrophobicContact SD-CG2 4.02Å
425A47.5Very low47.8Very low32 Ų3285.2 Ų85.226%0.26448%0.476SS..Hα-helixtrans-59.5-42174.900000111.5C421 N422 K427 S428C421-A425 WeakPolarHBondContact O-CB 3.36Å; C421-A425 PolarHBondContact O-N 2.92Å; N422-A425 PolarHBondContact O-N 2.76Å; A425-K427 PolarHBondContact O-N 3.41Å; A425-S428 WeakPolarHBondContact O-CB 3.39Å; A425-S428 PolarHBondContact O-N 3Å
426N44.7Very low46.1Very low108 Ų10891.4 Ų91.458%0.57851%0.505SS*.Hα-helixtrans-67.4-34.4178-71.6-10000112.9N422 M424 S428 T429N422-N426 WeakPolarHBondContact O-CB 3.45Å; N422-N426 VanDerWaalsContact O-CG 3.27Å; N422-N426 PolarHBondContact O-N 2.79Å; M424-N426 VanDerWaalsContact C-N 3.3Å; M424-N426 PolarHBondContact O-N 2.92Å; N426-S428 VanDerWaalsContact C-N 3.34Å; N426-T429 PolarHBondContact O-OG1 2.89Å
427K43.4Very low44.6Very low171 Ų17191 Ų9174%0.74351%0.511SS*.Hα-helixtrans-72.2-25.9174-78.7-175.4177.5-175.80113.4I423 M424 A425 T429I423-K427 PolarHBondContact O-N 3.28Å; I423-K427 VanDerWaalsContact O-N 3.1Å; M424-K427 PolarHBondContact O-N 3.44Å; A425-K427 PolarHBondContact O-N 3.41Å; K427-T429 PolarHBondContact O-N 3Å
428S45Very low43.5Very low76 Ų7691.6 Ų91.653%0.53152%0.515SS..G310 helixtrans-74.3-5.3179.1-174.40000113.8M424 A425 N426 L430 A431M424-S428 PolarHBondContact O-N 3.2Å; M424-S428 VanDerWaalsContact O-N 3.08Å; A425-S428 WeakPolarHBondContact O-CB 3.39Å; A425-S428 PolarHBondContact O-N 3Å; N426-S428 VanDerWaalsContact C-N 3.34Å; S428-L430 PolarHBondContact O-N 3.47Å; S428-A431 PolarHBondContact O-N 3.5Å
429T38.8Very low42.8Very low117 Ų11791.5 Ų91.572%0.71852%0.516SS*.G310 helixtrans-68.80.8-177.451.90000114.9N426 K427 A431N426-T429 PolarHBondContact O-OG1 2.89Å; K427-T429 PolarHBondContact O-N 3Å; T429-A431 VanDerWaalsContact C-N 3.32Å
430L37.6Very low42Very low177 Ų17790.3 Ų90.393%0.92751%0.508SS*.G310 helixtrans-80.8-8.5165.9-137.878.4000113.8S428S428-L430 PolarHBondContact O-N 3.47Å
431A33.3Very low41.7Very low68 Ų6891.9 Ų91.956%0.56251%0.512SS*.SBendtrans-108.592.1176.200000111S428 T429S428-A431 PolarHBondContact O-N 3.5Å; T429-A431 VanDerWaalsContact C-N 3.32Å
432S30.3Very low41.8Very low97 Ų9798.2 Ų98.268%0.67854%0.537SS*.  trans24.3129.314458.80000120.6
433T31.9Very low42Very low117 Ų11799.1 Ų99.172%0.71854%0.542SS*.SBendtrans76.5108.2142.157.30000120.2N435T433-N435 VanDerWaalsContact C-N 3.26Å; T433-N435 PolarHBondContact O-N 2.87Å
434N39.5Very low42.3Very low166 Ų16697.8 Ų97.889%0.88854%0.54SS*.  trans49.42.4139-82.2-6000122.6K436N434-K436 PolarHBondContact O-N 3.24Å
435N34.2Very low43.4Very low142 Ų14297 Ų9776%0.75954%0.537SS*.  trans-73.4119.3166.3-75-22.7000108T433 V437T433-N435 VanDerWaalsContact C-N 3.26Å; T433-N435 PolarHBondContact O-N 2.87Å; N435-V437 WeakPolarHBondContact O-CG2 3.21Å; N435-V437 PolarHBondContact O-N 3Å
436K36.9Very low44.1Very low186 Ų18699.8 Ų99.881%0.80955%0.547SS*.  trans-56.284.2162-77.5176.3177.3171.80106.8N434 N438N434-K436 PolarHBondContact O-N 3.24Å; K436-N438 PolarHBondContact O-N 2.93Å
437V36Very low44.6Very low100 Ų10096.5 Ų96.561%0.60653%0.529SS*.  trans-61.595.5171.6-179.10000104.1N435 D439N435-V437 WeakPolarHBondContact O-CG2 3.21Å; N435-V437 PolarHBondContact O-N 3Å; V437-D439 PolarHBondContact O-N 3.28Å
438N39.1Very low45.5Very low45 Ų4588.8 Ų88.824%0.24150%0.496CS..  trans-66.5114.9175.3-74.1-51.8000104.4K436 L513 R517K436-N438 PolarHBondContact O-N 2.93Å; N438-L513 VanDerWaalsContact C-CD2 3.48Å; N438-L513 HydrophobicContact CB-CB 4.08Å; N438-L513 HydrophobicContact CB-CD2 3.13Å; N438-L513 HydrophobicContact CB-CG 4.12Å; N438-L513 WeakPolarHBondContact O-CB 3.46Å; N438-L513 VanDerWaalsContact O-CD1 3.3Å; N438-L513 WeakPolarHBondContact O-CD1 3.2Å; N438-L513 WeakPolarHBondContact O-CD2 3.35Å; N438-L513 WeakPolarHBondContact O-CG 3.1Å; N438-R517 PolarHBondContact ND2-NH1 2.74Å
439D45.2Very low46.5Very low41 Ų4188.1 Ų88.122%0.21948%0.482CS..  trans-86.6136.4-170.2-166.5-20.1000110.4N422 V437 N441 K442N422-D439 PolarHBondContact OD1-OD1 3.42Å; V437-D439 PolarHBondContact O-N 3.28Å; D439-N441 HydrophobicContact CB-CB 4.02Å; D439-N441 PolarHBondContact O-N 3.17Å; D439-N441 WeakPolarHBondContact OD1-CB 3.26Å; D439-N441 PolarHBondContact OD1-N 3.38Å; D439-N441 PolarHBondContact OD1-ND2 2.98Å; D439-N441 WeakPolarHBondContact OD2-CB 3.19Å; D439-N441 PolarHBondContact OD2-ND2 3.28Å; D439-K442 WeakPolarHBondContact O-CB 3.18Å; D439-K442 PolarHBondContact O-N 3.01Å
440L45.4Very low47.4Very low24 Ų2491 Ų9113%0.12648%0.479CS..G310 helixtrans-57.2-19.6169.4-84.8105.6000110.9K418 C421 K442 I443 L513 I516K418-L440 WeakPolarHBondContact CE-O 2.97Å; C421-L440 HydrophobicContact CB-CB 4.43Å; C421-L440 HydrophobicContact CB-CD1 3.65Å; L440-K442 PolarHBondContact O-N 2.95Å; L440-K442 VanDerWaalsContact O-N 3.11Å; L440-I443 HydrophobicContact CB-CD1 4.48Å; L440-I443 HydrophobicContact CD2-CD1 4.01Å; L440-I443 HydrophobicContact CG-CD1 4.25Å; L440-I443 WeakPolarHBondContact O-CB 3.49Å; L440-I443 PolarHBondContact O-N 3.33Å; L440-L513 HydrophobicContact CB-CD1 4.13Å; L440-L513 HydrophobicContact CD1-CD1 3.58Å; L440-L513 HydrophobicContact CG-CD1 3.48Å; L440-L513 VanDerWaalsContact CG-CD1 3.48Å; L440-I516 HydrophobicContact CD1-CD1 3.57Å; L440-I516 HydrophobicContact CD2-CD1 4.32Å; L440-I516 HydrophobicContact CD2-CG2 4.23Å; L440-I516 HydrophobicContact CG-CD1 4.31Å
441N49.2Very low48.5Very low67 Ų6784 Ų8436%0.35844%0.443SS..G310 helixtrans-48.2-33.6168.7-82.4-40.3000114.2K418 N422 D439 I443K418-N441 VanDerWaalsContact CE-CA 3.47Å; K418-N441 WeakPolarHBondContact CE-O 3.12Å; K418-N441 PolarHBondContact NZ-O 3.46Å; N422-N441 PolarHBondContact ND2-ND2 2.82Å; N422-N441 PolarHBondContact ND2-OD1 3.16Å; N422-N441 PolarHBondContact OD1-ND2 3.1Å; N422-N441 PolarHBondContact OD1-OD1 3.37Å; D439-N441 HydrophobicContact CB-CB 4.02Å; D439-N441 PolarHBondContact O-N 3.17Å; D439-N441 WeakPolarHBondContact OD1-CB 3.26Å; D439-N441 PolarHBondContact OD1-N 3.38Å; D439-N441 PolarHBondContact OD1-ND2 2.98Å; D439-N441 WeakPolarHBondContact OD2-CB 3.19Å; D439-N441 PolarHBondContact OD2-ND2 3.28Å; N441-I443 VanDerWaalsContact C-N 3.28Å; N441-I443 PolarHBondContact O-N 2.92Å
442K52.6Low50Low145 Ų14580.7 Ų80.763%0.6342%0.416SS*.G310 helixtrans-76-11.8-178.9-63.7-175.8-179.8178.60113.9D439 L440 P444D439-K442 WeakPolarHBondContact O-CB 3.18Å; D439-K442 PolarHBondContact O-N 3.01Å; L440-K442 PolarHBondContact O-N 2.95Å; L440-K442 VanDerWaalsContact O-N 3.11Å; K442-P444 WeakPolarHBondContact O-CD 3.23Å
443I55.4Low51.5Low43 Ų4376.7 Ų76.722%0.22139%0.387CS..SBendtrans-67.8115.1174.8-59.1178.4000107.7K418 L440 N441 I447 L448K418-I443 PolarHBondContact NZ-O 3.03Å; L440-I443 HydrophobicContact CB-CD1 4.48Å; L440-I443 HydrophobicContact CD2-CD1 4.01Å; L440-I443 HydrophobicContact CG-CD1 4.25Å; L440-I443 WeakPolarHBondContact O-CB 3.49Å; L440-I443 PolarHBondContact O-N 3.33Å; N441-I443 VanDerWaalsContact C-N 3.28Å; N441-I443 PolarHBondContact O-N 2.92Å; I443-I447 HydrophobicContact CG2-CB 3.99Å; I443-I447 HydrophobicContact CG2-CG2 4.14Å; I443-L448 HydrophobicContact CG2-CD2 3.89Å; I443-L448 HydrophobicContact CG2-CG 4.22Å
444P58Low52.8Low68 Ų6872.5 Ų72.544%0.44236%0.361SS..  trans-70.2147-179.2-4.319.4000110.6K442 N446 I447K442-P444 WeakPolarHBondContact O-CD 3.23Å; P444-N446 WeakPolarHBondContact CB-OD1 3.46Å; P444-N446 PolarHBondContact O-N 3.2Å; P444-N446 VanDerWaalsContact O-N 3.12Å; P444-I447 HydrophobicContact CG-CD1 4.38Å; P444-I447 WeakPolarHBondContact O-CB 3.26Å; P444-I447 PolarHBondContact O-N 2.98Å
445D67.7Low53.9Low48 Ų4864.7 Ų64.726%0.25732%0.319SS..Hα-helixtrans-59-27.7-175-172.564.9000112.7R415 I447 L448 R449R415-D445 IonicContact CZ-OD1 2.88Å; R415-D445 VanDerWaalsContact CZ-OD1 3.31Å; R415-D445 IonicContact CZ-OD2 3.1Å; R415-D445 IonicContact NE-OD1 3.92Å; R415-D445 PolarHBondContact NE-OD1 2.82Å; R415-D445 VanDerWaalsContact NH2-CG 3.28Å; R415-D445 IonicContact NH2-OD1 3.99Å; R415-D445 PolarHBondContact NH2-OD1 3.36Å; R415-D445 IonicContact NH2-OD2 3.89Å; R415-D445 PolarHBondContact NH2-OD2 2.76Å; D445-I447 VanDerWaalsContact C-N 3.27Å; D445-I447 PolarHBondContact O-N 3.43Å; D445-L448 PolarHBondContact O-N 3.19Å; D445-R449 WeakPolarHBondContact O-CG 3.38Å; D445-R449 PolarHBondContact O-N 3.45Å; D445-R449 IonicContact OD2-CZ 3.19Å; D445-R449 VanDerWaalsContact OD2-CZ 3.3Å; D445-R449 IonicContact OD2-NE 3.11Å; D445-R449 PolarHBondContact OD2-NE 3.4Å; D445-R449 IonicContact OD2-NH2 2.87Å; D445-R449 PolarHBondContact OD2-NH2 3.37Å
446N61.3Low55.1Low89 Ų8958.7 Ų58.748%0.47629%0.287SS..Hα-helixtrans-61.1-33.3175.669.4-12000113P444 R450P444-N446 WeakPolarHBondContact CB-OD1 3.46Å; P444-N446 PolarHBondContact O-N 3.2Å; P444-N446 VanDerWaalsContact O-N 3.12Å; N446-R450 WeakPolarHBondContact O-CG 3.36Å; N446-R450 PolarHBondContact O-N 3.2Å
447I56.7Low56Low39 Ų3949.9 Ų49.920%0.225%0.25CC..Hα-helixtrans-70.2-45.7176.1-60.6-170.3000109I443 P444 D445 R449 R450 L451 Y520I443-I447 HydrophobicContact CG2-CB 3.99Å; I443-I447 HydrophobicContact CG2-CG2 4.14Å; P444-I447 HydrophobicContact CG-CD1 4.38Å; P444-I447 WeakPolarHBondContact O-CB 3.26Å; P444-I447 PolarHBondContact O-N 2.98Å; D445-I447 VanDerWaalsContact C-N 3.27Å; D445-I447 PolarHBondContact O-N 3.43Å; I447-R449 VanDerWaalsContact C-N 3.31Å; I447-R449 PolarHBondContact O-N 2.79Å; I447-R450 PolarHBondContact O-N 3.19Å; I447-R450 VanDerWaalsContact O-N 3.15Å; I447-L451 HydrophobicContact CG2-CD1 4.13Å; I447-L451 HydrophobicContact CG2-CG 4.37Å; I447-L451 WeakPolarHBondContact O-CG 3.33Å; I447-L451 PolarHBondContact O-N 2.87Å; I447-Y520 HydrophobicContact CG2-CE2 3.55Å; I447-Y520 WeakPolarHBondContact CG2-OH 3.47Å
448L62.1Low56.9Low10 Ų1048 Ų485%0.05223%0.231CC..Hα-helixtrans-59.9-42176.9-57.5-177.4000111.5L411 L414 R415 K418 I443 D445 L451 A452L411-L448 HydrophobicContact CD1-CB 3.76Å; L414-L448 HydrophobicContact CB-CD2 4.33Å; R415-L448 HydrophobicContact CG-CD1 4.12Å; K418-L448 HydrophobicContact CD-CD1 3.99Å; I443-L448 HydrophobicContact CG2-CD2 3.89Å; I443-L448 HydrophobicContact CG2-CG 4.22Å; D445-L448 PolarHBondContact O-N 3.19Å; L448-L451 PolarHBondContact O-N 3.28Å; L448-A452 WeakPolarHBondContact O-CB 3.05Å; L448-A452 PolarHBondContact O-N 2.88Å
449R65Low57.8Low61 Ų6149.9 Ų49.923%0.2325%0.245CC..Hα-helixtrans-60.6-44.8174.1-70.6-178-165.8-146.32.6112L109 I112 L411 D445 I447 A452 L453L109-R449 HydrophobicContact CD2-CB 4.18Å; L109-R449 HydrophobicContact CD2-CG 4.26Å; I112-R449 HydrophobicContact CD1-CB 4.06Å; L411-R449 HydrophobicContact CD1-CG 4.08Å; L411-R449 HydrophobicContact CD2-CG 3.88Å; D445-R449 WeakPolarHBondContact O-CG 3.38Å; D445-R449 PolarHBondContact O-N 3.45Å; D445-R449 IonicContact OD2-CZ 3.19Å; D445-R449 VanDerWaalsContact OD2-CZ 3.3Å; D445-R449 IonicContact OD2-NE 3.11Å; D445-R449 PolarHBondContact OD2-NE 3.4Å; D445-R449 IonicContact OD2-NH2 2.87Å; D445-R449 PolarHBondContact OD2-NH2 3.37Å; I447-R449 VanDerWaalsContact C-N 3.31Å; I447-R449 PolarHBondContact O-N 2.79Å; R449-A452 PolarHBondContact O-N 3.29Å; R449-L453 WeakPolarHBondContact O-CB 3.21Å; R449-L453 VanDerWaalsContact O-CG 3.27Å; R449-L453 WeakPolarHBondContact O-CG 3.47Å; R449-L453 PolarHBondContact O-N 3.05Å
450R58Low58.6Low177 Ų17748.9 Ų48.967%0.66824%0.238SC*.Hα-helixtrans-62.8-45177.3-75.8177.6179.3-167.7-0.1111.8N446 I447 A452 L453 V454N446-R450 WeakPolarHBondContact O-CG 3.36Å; N446-R450 PolarHBondContact O-N 3.2Å; I447-R450 PolarHBondContact O-N 3.19Å; I447-R450 VanDerWaalsContact O-N 3.15Å; R450-A452 PolarHBondContact O-N 3.37Å; R450-L453 PolarHBondContact O-N 3.02Å; R450-V454 WeakPolarHBondContact O-CG2 3.18Å; R450-V454 PolarHBondContact O-N 2.75Å; R450-V454 VanDerWaalsContact O-N 3.11Å
451L60.5Low59.1Low30 Ų3048.3 Ų48.316%0.15724%0.235CC..Hα-helixtrans-60.1-46.4176.2-69.8173.6000111.4L414 I447 L448 L453 V454 G455 L456 Y520L414-L451 HydrophobicContact CD1-CB 3.9Å; I447-L451 HydrophobicContact CG2-CD1 4.13Å; I447-L451 HydrophobicContact CG2-CG 4.37Å; I447-L451 WeakPolarHBondContact O-CG 3.33Å; I447-L451 PolarHBondContact O-N 2.87Å; L448-L451 PolarHBondContact O-N 3.28Å; L451-L453 VanDerWaalsContact C-N 3.33Å; L451-L453 PolarHBondContact O-N 2.97Å; L451-V454 PolarHBondContact O-N 3.43Å; L451-G455 PolarHBondContact O-N 3.07Å; L451-L456 HydrophobicContact CB-CB 4.43Å; L451-L456 HydrophobicContact CD2-CB 4.43Å; L451-L456 HydrophobicContact CD2-CD1 3.54Å; L451-L456 WeakPolarHBondContact O-CB 3.38Å; L451-L456 PolarHBondContact O-N 2.97Å; L451-Y520 HydrophobicContact CD1-CD2 4.42Å; L451-Y520 HydrophobicContact CD1-CE2 4.18Å; L451-Y520 HydrophobicContact CD2-CE2 4.26Å
452A64.9Low59.2Low0 Ų046.9 Ų46.90%023%0.229CC..Hα-helixtrans-60.8-40.5177.200000112.6A407 E410 L411 L414 L448 R449 R450 V454 G455A407-A452 WeakPolarHBondContact CA-O 3.14Å; A407-A452 HydrophobicContact CB-CB 4.38Å; A407-A452 VanDerWaalsContact CB-O 3.26Å; A407-A452 WeakPolarHBondContact CB-O 3.27Å; A407-A452 WeakPolarHBondContact O-CB 3.17Å; E410-A452 HydrophobicContact CB-CB 4.21Å; L411-A452 HydrophobicContact CB-CB 3.69Å; L411-A452 HydrophobicContact CD1-CB 4.45Å; L414-A452 HydrophobicContact CD1-CB 4.24Å; L448-A452 WeakPolarHBondContact O-CB 3.05Å; L448-A452 PolarHBondContact O-N 2.88Å; R449-A452 PolarHBondContact O-N 3.29Å; R450-A452 PolarHBondContact O-N 3.37Å; A452-V454 VanDerWaalsContact C-N 3.35Å; A452-V454 PolarHBondContact O-N 2.89Å; A452-G455 WeakPolarHBondContact O-CA 3.34Å; A452-G455 PolarHBondContact O-N 2.88Å
453L62.6Low59.3Low12 Ų1245.7 Ų45.76%0.06322%0.22CC..Hα-helixtrans-65.1-34.8177.2-76.8171.1000113.6L109 I112 A407 R449 R450 L451 G455L109-L453 HydrophobicContact CB-CD2 4.39Å; L109-L453 HydrophobicContact CD2-CD1 4.31Å; L109-L453 HydrophobicContact CD2-CD2 4.03Å; L109-L453 HydrophobicContact CD2-CG 3.97Å; I112-L453 HydrophobicContact CB-CD1 3.86Å; I112-L453 HydrophobicContact CD1-CD1 3.73Å; I112-L453 HydrophobicContact CG1-CD1 4.39Å; I112-L453 HydrophobicContact CG2-CD1 3.51Å; A407-L453 HydrophobicContact CB-CD2 4.15Å; R449-L453 WeakPolarHBondContact O-CB 3.21Å; R449-L453 VanDerWaalsContact O-CG 3.27Å; R449-L453 WeakPolarHBondContact O-CG 3.47Å; R449-L453 PolarHBondContact O-N 3.05Å; R450-L453 PolarHBondContact O-N 3.02Å; L451-L453 VanDerWaalsContact C-N 3.33Å; L451-L453 PolarHBondContact O-N 2.97Å; L453-G455 PolarHBondContact O-N 2.94Å
454V59.3Low59.2Low30 Ų3044.1 Ų44.118%0.18221%0.212CC..THydrogen-bonded Turntrans-74.51.1172.5-176.60000110.9L149 M403 R450 L451 A452 L456 R460 Y527L149-V454 HydrophobicContact CD2-CG1 4.19Å; M403-V454 VanDerWaalsContact CE-CA 3.46Å; M403-V454 HydrophobicContact CE-CB 4.5Å; M403-V454 HydrophobicContact CE-CG1 4.4Å; M403-V454 WeakPolarHBondContact CE-O 3.3Å; R450-V454 WeakPolarHBondContact O-CG2 3.18Å; R450-V454 PolarHBondContact O-N 2.75Å; R450-V454 VanDerWaalsContact O-N 3.11Å; L451-V454 PolarHBondContact O-N 3.43Å; A452-V454 VanDerWaalsContact C-N 3.35Å; A452-V454 PolarHBondContact O-N 2.89Å; V454-L456 HydrophobicContact CB-CD1 4.42Å; V454-L456 HydrophobicContact CB-CG 4.32Å; V454-L456 HydrophobicContact CG1-CD1 4.22Å; V454-L456 HydrophobicContact CG1-CG 4.08Å; V454-L456 PolarHBondContact O-N 3.4Å; V454-R460 PolarHBondContact O-NH1 3.03Å; V454-Y527 HydrophobicContact CG1-CD2 3.92Å; V454-Y527 HydrophobicContact CG1-CE2 3.42Å; V454-Y527 VanDerWaalsContact CG1-CE2 3.42Å; V454-Y527 HydrophobicContact CG2-CE2 4.43Å
455G62.5Low58.7Low1 Ų140.9 Ų40.91%0.0119%0.191CC..THydrogen-bonded Turntrans64.619.4-176.900000112.1L451 A452 L453 G457 R460L451-G455 PolarHBondContact O-N 3.07Å; A452-G455 WeakPolarHBondContact O-CA 3.34Å; A452-G455 PolarHBondContact O-N 2.88Å; L453-G455 PolarHBondContact O-N 2.94Å; G455-G457 PolarHBondContact O-N 3.49Å; G455-R460 WeakPolarHBondContact O-CD 3.41Å; G455-R460 PolarHBondContact O-NE 2.66Å; G455-R460 VanDerWaalsContact O-NE 3.15Å; G455-R460 PolarHBondContact O-NH1 2.65Å
456L58.5Low57.7Low16 Ų1640.7 Ų40.78%0.08420%0.2CC..  trans-70.769.1173-73.5171.4000109.3L451 V454 L461 L464L451-L456 HydrophobicContact CB-CB 4.43Å; L451-L456 HydrophobicContact CD2-CB 4.43Å; L451-L456 HydrophobicContact CD2-CD1 3.54Å; L451-L456 WeakPolarHBondContact O-CB 3.38Å; L451-L456 PolarHBondContact O-N 2.97Å; V454-L456 HydrophobicContact CB-CD1 4.42Å; V454-L456 HydrophobicContact CB-CG 4.32Å; V454-L456 HydrophobicContact CG1-CD1 4.22Å; V454-L456 HydrophobicContact CG1-CG 4.08Å; V454-L456 PolarHBondContact O-N 3.4Å; L456-L461 HydrophobicContact CB-CD2 4.23Å; L456-L461 HydrophobicContact CB-CG 4.39Å; L456-L461 HydrophobicContact CD2-CD2 4.34Å; L456-L464 HydrophobicContact CD2-CD1 3.67Å
457G56Low57.1Low2 Ų240.8 Ų40.82%0.02120%0.2CC..  trans-81.8173.4175.200000112.5E410 G455 T459 R460 L461E410-G457 WeakPolarHBondContact OE2-CA 3.09Å; G455-G457 PolarHBondContact O-N 3.49Å; G457-T459 VanDerWaalsContact C-N 3.27Å; G457-T459 PolarHBondContact O-N 2.99Å; G457-R460 PolarHBondContact O-N 2.8Å; G457-L461 WeakPolarHBondContact O-CB 3.34Å; G457-L461 WeakPolarHBondContact O-CG 3.39Å; G457-L461 PolarHBondContact O-N 2.69Å
458R54.7Low56.7Low59 Ų5940.3 Ų40.322%0.22321%0.206CC..Hα-helixtrans-46.2-49.7177.7177-178152141.95.7112.2E410 R460 T462 L477 S478 Y479E410-R458 PolarHBondContact OE2-N 3.22Å; R458-R460 PolarHBondContact O-N 3.31Å; R458-T462 VanDerWaalsContact O-CB 3.31Å; R458-T462 WeakPolarHBondContact O-CB 3.45Å; R458-T462 PolarHBondContact O-N 3.28Å; R458-T462 PolarHBondContact O-OG1 2.87Å; R458-L477 WeakPolarHBondContact CD-O 3.26Å; R458-L477 HydrophobicContact CG-CB 4.12Å; R458-L477 VanDerWaalsContact CG-O 3.27Å; R458-L477 WeakPolarHBondContact CG-O 3.43Å; R458-L477 PolarHBondContact NE-O 3.32Å; R458-L477 PolarHBondContact NH1-O 3.44Å; R458-L477 PolarHBondContact NH2-O 2.97Å; R458-S478 PolarHBondContact NH2-O 3.41Å; R458-Y479 PolarHBondContact NH1-O 2.98Å
459T58.3Low55.8Low85 Ų8542.4 Ų42.452%0.52123%0.23SC..Hα-helixtrans-64.3-39.6-177.9-49.50000112.7G457 T462 R463G457-T459 VanDerWaalsContact C-N 3.27Å; G457-T459 PolarHBondContact O-N 2.99Å; T459-T462 WeakPolarHBondContact O-CB 3.34Å; T459-T462 PolarHBondContact O-N 3.35Å; T459-R463 WeakPolarHBondContact O-CG 3.49Å; T459-R463 PolarHBondContact O-N 3.46Å
460R61Low54.9Low20 Ų2043 Ų438%0.07523%0.232CC..Hα-helixtrans-77-40.1-177.8-58.3-166.2-166.6176.1-10.2111.9L147 N148 M403 V454 G455 G457 R458 T462 R463 L464L147-R460 WeakPolarHBondContact O-CD 3.18Å; L147-R460 VanDerWaalsContact O-CZ 3.29Å; L147-R460 PolarHBondContact O-NE 2.87Å; L147-R460 PolarHBondContact O-NH1 2.86Å; N148-R460 PolarHBondContact O-NH1 3.19Å; N148-R460 PolarHBondContact O-NH2 2.93Å; M403-R460 PolarHBondContact SD-NH1 2.81Å; V454-R460 PolarHBondContact O-NH1 3.03Å; G455-R460 WeakPolarHBondContact O-CD 3.41Å; G455-R460 PolarHBondContact O-NE 2.66Å; G455-R460 VanDerWaalsContact O-NE 3.15Å; G455-R460 PolarHBondContact O-NH1 2.65Å; G457-R460 PolarHBondContact O-N 2.8Å; R458-R460 PolarHBondContact O-N 3.31Å; R460-T462 VanDerWaalsContact C-N 3.26Å; R460-T462 PolarHBondContact O-N 3.07Å; R460-R463 PolarHBondContact O-N 3.45Å; R460-L464 WeakPolarHBondContact O-CB 3.33Å; R460-L464 WeakPolarHBondContact O-CG 3.45Å; R460-L464 PolarHBondContact O-N 2.97Å
461L56.5Low54.3Low12 Ų1243.3 Ų43.36%0.06324%0.238CC..Hα-helixtrans-60.9-38.8171.1-68.5171.6000110.9L414 L456 G457 A465 F473 L477 F523L414-L461 HydrophobicContact CD2-CD1 4.07Å; L456-L461 HydrophobicContact CB-CD2 4.23Å; L456-L461 HydrophobicContact CB-CG 4.39Å; L456-L461 HydrophobicContact CD2-CD2 4.34Å; G457-L461 WeakPolarHBondContact O-CB 3.34Å; G457-L461 WeakPolarHBondContact O-CG 3.39Å; G457-L461 PolarHBondContact O-N 2.69Å; L461-A465 WeakPolarHBondContact O-CB 3.22Å; L461-A465 PolarHBondContact O-N 2.92Å; L461-F473 HydrophobicContact CB-CE1 4.14Å; L461-L477 HydrophobicContact CB-CD1 3.38Å; L461-F523 HydrophobicContact CD2-CD2 3.82Å; L461-F523 HydrophobicContact CD2-CE1 4.45Å; L461-F523 HydrophobicContact CD2-CE2 3.73Å; L461-F523 HydrophobicContact CD2-CG 4.23Å; L461-F523 HydrophobicContact CD2-CZ 4.06Å
462T52.4Low53.5Low37 Ų3747 Ų4723%0.22725%0.254CS..Hα-helixtrans-63.2-46173.6-56.80000111.1R458 T459 R460 A465 G466 A474 L477R458-T462 VanDerWaalsContact O-CB 3.31Å; R458-T462 WeakPolarHBondContact O-CB 3.45Å; R458-T462 PolarHBondContact O-N 3.28Å; R458-T462 PolarHBondContact O-OG1 2.87Å; T459-T462 WeakPolarHBondContact O-CB 3.34Å; T459-T462 PolarHBondContact O-N 3.35Å; R460-T462 VanDerWaalsContact C-N 3.26Å; R460-T462 PolarHBondContact O-N 3.07Å; T462-A465 PolarHBondContact O-N 3.29Å; T462-G466 PolarHBondContact O-N 2.83Å; T462-A474 HydrophobicContact CG2-CB 3.68Å; T462-L477 VanDerWaalsContact N-CD1 3.34Å; T462-L477 VanDerWaalsContact OG1-CB 3.26Å; T462-L477 WeakPolarHBondContact OG1-CB 3.38Å; T462-L477 WeakPolarHBondContact OG1-CD1 3.5Å
463R54Low52.5Low121 Ų12147.7 Ų47.746%0.45726%0.258SS..Hα-helixtrans-63.9-45.9177.9-76.6179.1-177.8-176.5-0.3112.4S146 T459 R460 A465 G466 L467S146-R463 PolarHBondContact O-NH1 3.29Å; T459-R463 WeakPolarHBondContact O-CG 3.49Å; T459-R463 PolarHBondContact O-N 3.46Å; R460-R463 PolarHBondContact O-N 3.45Å; R463-A465 VanDerWaalsContact C-N 3.33Å; R463-A465 PolarHBondContact O-N 3.33Å; R463-G466 CarbonylContact O-C 3.53Å; R463-G466 WeakPolarHBondContact O-CA 3.16Å; R463-G466 PolarHBondContact O-N 2.83Å; R463-L467 WeakPolarHBondContact O-CG 2.87Å; R463-L467 PolarHBondContact O-N 2.86Å
464L52.5Low51.5Low9 Ų948.2 Ų48.25%0.04726%0.263CS..Hα-helixtrans-62.4-42176.9-76165.4000111.7L147 L456 R460 G466 L467 G468 F523 V526L147-L464 HydrophobicContact CD1-CD2 3.76Å; L147-L464 HydrophobicContact CD1-CG 4.49Å; L147-L464 HydrophobicContact CD2-CD1 3.96Å; L147-L464 HydrophobicContact CD2-CD2 3.37Å; L147-L464 HydrophobicContact CD2-CG 3.37Å; L147-L464 HydrophobicContact CG-CD2 4.16Å; L456-L464 HydrophobicContact CD2-CD1 3.67Å; R460-L464 WeakPolarHBondContact O-CB 3.33Å; R460-L464 WeakPolarHBondContact O-CG 3.45Å; R460-L464 PolarHBondContact O-N 2.97Å; L464-G466 VanDerWaalsContact C-N 3.33Å; L464-L467 PolarHBondContact O-N 2.91Å; L464-G468 PolarHBondContact O-N 2.85Å; L464-F523 HydrophobicContact CB-CD1 3.83Å; L464-F523 HydrophobicContact CB-CE1 3.35Å; L464-F523 HydrophobicContact CB-CZ 4.39Å; L464-F523 HydrophobicContact CD1-CD1 3.8Å; L464-F523 HydrophobicContact CD1-CE1 4.09Å; L464-F523 HydrophobicContact CG-CD1 4.37Å; L464-F523 HydrophobicContact CG-CE1 4.32Å; L464-V526 HydrophobicContact CD2-CG1 4.17Å
465A48.9Very low50.5Low0 Ų047.8 Ų47.80%027%0.265CS..Hα-helixtrans-62.8-41.9173.700000111.6L461 T462 R463 G468 G469 W470 F473 F523L461-A465 WeakPolarHBondContact O-CB 3.22Å; L461-A465 PolarHBondContact O-N 2.92Å; T462-A465 PolarHBondContact O-N 3.29Å; R463-A465 VanDerWaalsContact C-N 3.33Å; R463-A465 PolarHBondContact O-N 3.33Å; A465-G468 PolarHBondContact O-N 2.94Å; A465-G469 PolarHBondContact O-N 3.3Å; A465-W470 HydrophobicContact CB-CB 4.06Å; A465-W470 WeakPolarHBondContact O-CA 3.48Å; A465-W470 WeakPolarHBondContact O-CB 3.31Å; A465-W470 PolarHBondContact O-N 2.85Å; A465-F473 HydrophobicContact CB-CB 4.25Å; A465-F473 HydrophobicContact CB-CD1 3.47Å; A465-F473 VanDerWaalsContact CB-CD1 3.47Å; A465-F473 HydrophobicContact CB-CE1 4.27Å; A465-F473 HydrophobicContact CB-CG 4.34Å; A465-F523 HydrophobicContact CB-CZ 4.45Å
466G46.5Very low49.5Very low44 Ų4448.2 Ų48.245%0.45427%0.267SS..Hα-helixtrans-57.8-47171.500000112.9T462 R463 L464 G468 G469T462-G466 PolarHBondContact O-N 2.83Å; R463-G466 CarbonylContact O-C 3.53Å; R463-G466 WeakPolarHBondContact O-CA 3.16Å; R463-G466 PolarHBondContact O-N 2.83Å; L464-G466 VanDerWaalsContact C-N 3.33Å; G466-G468 VanDerWaalsContact C-N 3.3Å; G466-G468 PolarHBondContact O-N 2.78Å; G466-G469 PolarHBondContact O-N 2.69Å
467L48.7Very low48.7Very low91 Ų9147.5 Ų47.548%0.47626%0.263SS..Hα-helixtrans-61.3-36.7177.5-74.6170.2000112.5R463 L464 G469R463-L467 WeakPolarHBondContact O-CG 2.87Å; R463-L467 PolarHBondContact O-N 2.86Å; L464-L467 PolarHBondContact O-N 2.91Å; L467-G469 VanDerWaalsContact C-N 3.26Å; L467-G469 PolarHBondContact O-N 3.47Å
468G47.3Very low47.9Very low30 Ų3050.7 Ų50.731%0.30929%0.285SS..THydrogen-bonded Turntrans-78.6-2.2174.600000114.6L464 A465 G466 W470L464-G468 PolarHBondContact O-N 2.85Å; A465-G468 PolarHBondContact O-N 2.94Å; G466-G468 VanDerWaalsContact C-N 3.3Å; G466-G468 PolarHBondContact O-N 2.78Å; G468-W470 PolarHBondContact O-NE1 2.72Å
469G43.7Very low47.1Very low54 Ų5452.4 Ų52.456%0.55729%0.292SS*.THydrogen-bonded Turntrans84.47.8-174.900000116A465 G466 L467 K471A465-G469 PolarHBondContact O-N 3.3Å; G466-G469 PolarHBondContact O-N 2.69Å; L467-G469 VanDerWaalsContact C-N 3.26Å; L467-G469 PolarHBondContact O-N 3.47Å; G469-K471 PolarHBondContact O-N 2.82Å
470W46.8Very low45.9Very low73 Ų7355.1 Ų55.128%0.27730%0.299SS..  trans-86.566.8-173.6-55.265.4000111.8A465 G468 Q472 F473 A474 T515 I518 L519A465-W470 HydrophobicContact CB-CB 4.06Å; A465-W470 WeakPolarHBondContact O-CA 3.48Å; A465-W470 WeakPolarHBondContact O-CB 3.31Å; A465-W470 PolarHBondContact O-N 2.85Å; G468-W470 PolarHBondContact O-NE1 2.72Å; W470-Q472 PolarHBondContact O-N 3.33Å; W470-F473 PolarHBondContact O-N 3.44Å; W470-A474 PolarHBondContact O-N 3.47Å; W470-T515 HydrophobicContact CE3-CG2 4.3Å; W470-T515 HydrophobicContact CZ3-CG2 4.08Å; W470-I518 HydrophobicContact CH2-CB 4.28Å; W470-I518 HydrophobicContact CH2-CG2 3.54Å; W470-I518 HydrophobicContact CZ2-CG2 4.33Å; W470-I518 HydrophobicContact CZ3-CG2 4.39Å; W470-L519 HydrophobicContact CB-CD2 4.39Å; W470-L519 HydrophobicContact CD2-CD2 3.53Å; W470-L519 HydrophobicContact CD2-CG 4.32Å; W470-L519 HydrophobicContact CE3-CD1 4.15Å; W470-L519 HydrophobicContact CE3-CD2 3.32Å; W470-L519 HydrophobicContact CE3-CG 3.62Å; W470-L519 HydrophobicContact CG-CD2 3.99Å; W470-L519 HydrophobicContact CH2-CD2 4.41Å; W470-L519 HydrophobicContact CH2-CG 4.43Å; W470-L519 HydrophobicContact CZ3-CD1 4.43Å; W470-L519 HydrophobicContact CZ3-CD2 3.8Å; W470-L519 HydrophobicContact CZ3-CG 3.67Å
471K45.3Very low44.7Very low183 Ų18358.3 Ų58.380%0.79632%0.322SS*.Hα-helixtrans-56.3-32.2-177.2-65.8-179.5-179.3176.80113.7G469 G475G469-K471 PolarHBondContact O-N 2.82Å; K471-G475 PolarHBondContact O-N 3.08Å
472Q43.5Very low43.2Very low107 Ų10763 Ų6350%0.536%0.356SS..Hα-helixtrans-70-40.2-177.5-64.8179.14.200113.1W470 G475 F476 F508 T510W470-Q472 PolarHBondContact O-N 3.33Å; Q472-G475 WeakPolarHBondContact O-CA 3.35Å; Q472-G475 PolarHBondContact O-N 3.28Å; Q472-G475 VanDerWaalsContact O-N 3.11Å; Q472-F476 PolarHBondContact O-N 3.46Å; Q472-F508 HydrophobicContact CG-CB 4.5Å; Q472-T510 HydrophobicContact CB-CG2 3.96Å
473F43.7Very low42Very low16 Ų1666.1 Ų66.17%0.0738%0.379CS..Hα-helixtrans-72.4-31.5177.3-177.3-103.4000112.6L461 A465 W470 G475 F476 L477 L519 F523L461-F473 HydrophobicContact CB-CE1 4.14Å; A465-F473 HydrophobicContact CB-CB 4.25Å; A465-F473 HydrophobicContact CB-CD1 3.47Å; A465-F473 VanDerWaalsContact CB-CD1 3.47Å; A465-F473 HydrophobicContact CB-CE1 4.27Å; A465-F473 HydrophobicContact CB-CG 4.34Å; W470-F473 PolarHBondContact O-N 3.44Å; F473-G475 PolarHBondContact O-N 3.17Å; F473-F476 HydrophobicContact CD2-CD1 4.38Å; F473-F476 HydrophobicContact CE2-CD1 4.32Å; F473-F476 PolarHBondContact O-N 3.49Å; F473-L477 HydrophobicContact CD1-CD1 3.6Å; F473-L477 HydrophobicContact CD1-CG 4.1Å; F473-L477 HydrophobicContact CE1-CD1 3.19Å; F473-L477 HydrophobicContact CE1-CD2 4.49Å; F473-L477 HydrophobicContact CE1-CG 3.85Å; F473-L477 HydrophobicContact CE2-CG 4.34Å; F473-L477 HydrophobicContact CG-CD1 4.5Å; F473-L477 HydrophobicContact CZ-CD1 3.7Å; F473-L477 HydrophobicContact CZ-CD2 4.19Å; F473-L477 HydrophobicContact CZ-CG 3.96Å; F473-L477 WeakPolarHBondContact O-CB 3.38Å; F473-L477 WeakPolarHBondContact O-CG 3.42Å; F473-L477 PolarHBondContact O-N 2.94Å; F473-L519 HydrophobicContact CB-CD1 3.77Å; F473-L519 HydrophobicContact CD1-CD1 4.03Å; F473-L519 HydrophobicContact CD1-CD2 4.45Å; F473-L519 HydrophobicContact CD2-CD1 3.29Å; F473-L519 HydrophobicContact CE1-CD1 4.33Å; F473-L519 HydrophobicContact CE2-CD1 3.73Å; F473-L519 HydrophobicContact CG-CD1 3.43Å; F473-L519 VanDerWaalsContact CG-CD1 3.43Å; F473-L519 HydrophobicContact CG-CD2 4.49Å; F473-L519 HydrophobicContact CZ-CD1 4.21Å; F473-F523 HydrophobicContact CD1-CZ 4.33Å; F473-F523 AromaticContact CE1-CE2 3.8Å; F473-F523 HydrophobicContact CE1-CE2 3.8Å; F473-F523 AromaticContact CE1-CZ 3.71Å; F473-F523 HydrophobicContact CE1-CZ 3.71Å; F473-F523 HydrophobicContact CZ-CE2 4.08Å; F473-F523 HydrophobicContact CZ-CZ 4.45Å
474A41Very low40.7Very low22 Ų2266 Ų6618%0.18240%0.397CS..Hα-helixtrans-59.4-37.216800000111.3T462 W470 S478T462-A474 HydrophobicContact CG2-CB 3.68Å; W470-A474 PolarHBondContact O-N 3.47Å; A474-S478 VanDerWaalsContact O-CB 3.28Å; A474-S478 WeakPolarHBondContact O-CB 3.27Å; A474-S478 PolarHBondContact O-N 2.8Å; A474-S478 PolarHBondContact O-OG 3.32Å
475G38Very low39.5Very low21 Ų2170.6 Ų70.622%0.21643%0.43CS..Hα-helixtrans-62.4-51.2171.100000113.3K471 Q472 F473 L477 S478 Y479K471-G475 PolarHBondContact O-N 3.08Å; Q472-G475 WeakPolarHBondContact O-CA 3.35Å; Q472-G475 PolarHBondContact O-N 3.28Å; Q472-G475 VanDerWaalsContact O-N 3.11Å; F473-G475 PolarHBondContact O-N 3.17Å; G475-L477 PolarHBondContact O-N 2.93Å; G475-S478 WeakPolarHBondContact CA-OG 3.4Å; G475-S478 WeakPolarHBondContact O-CA 3.48Å; G475-S478 WeakPolarHBondContact O-CB 3.34Å; G475-S478 PolarHBondContact O-N 3.32Å; G475-S478 PolarHBondContact O-OG 3.3Å; G475-Y479 PolarHBondContact O-N 2.96Å
476F42.1Very low38.3Very low10 Ų1075.2 Ų75.24%0.04446%0.462CS..Hα-helixtrans-56.6-48.1176.1176.7-107.5000112.3L417 C421 Q472 F473 S478 Y479 V509L417-F476 HydrophobicContact CD2-CE1 3.82Å; L417-F476 HydrophobicContact CD2-CZ 3.97Å; C421-F476 WeakPolarHBondContact SG-CZ 3.36Å; Q472-F476 PolarHBondContact O-N 3.46Å; F473-F476 HydrophobicContact CD2-CD1 4.38Å; F473-F476 HydrophobicContact CE2-CD1 4.32Å; F473-F476 PolarHBondContact O-N 3.49Å; F476-S478 PolarHBondContact O-N 2.87Å; F476-Y479 WeakPolarHBondContact O-CB 3.38Å; F476-Y479 PolarHBondContact O-N 2.9Å; F476-Y479 VanDerWaalsContact O-N 3.11Å; F476-V509 HydrophobicContact CD2-CB 3.81Å; F476-V509 HydrophobicContact CD2-CG1 3.38Å; F476-V509 HydrophobicContact CD2-CG2 3.81Å; F476-V509 HydrophobicContact CE2-CB 4.28Å; F476-V509 HydrophobicContact CE2-CG1 3.42Å; F476-V509 VanDerWaalsContact CE2-CG1 3.42Å; F476-V509 HydrophobicContact CE2-CG2 4.24Å
477L41.7Very low37.4Very low2 Ų281.9 Ų81.91%0.0149%0.485CS..Hα-helixtrans-66.8-27.4177.2-71.6179.2000112.2L417 R458 L461 T462 F473 G475 Y479L417-L477 HydrophobicContact CD1-CD2 3.76Å; R458-L477 WeakPolarHBondContact CD-O 3.26Å; R458-L477 HydrophobicContact CG-CB 4.12Å; R458-L477 VanDerWaalsContact CG-O 3.27Å; R458-L477 WeakPolarHBondContact CG-O 3.43Å; R458-L477 PolarHBondContact NE-O 3.32Å; R458-L477 PolarHBondContact NH1-O 3.44Å; R458-L477 PolarHBondContact NH2-O 2.97Å; L461-L477 HydrophobicContact CB-CD1 3.38Å; T462-L477 VanDerWaalsContact N-CD1 3.34Å; T462-L477 VanDerWaalsContact OG1-CB 3.26Å; T462-L477 WeakPolarHBondContact OG1-CB 3.38Å; T462-L477 WeakPolarHBondContact OG1-CD1 3.5Å; F473-L477 HydrophobicContact CD1-CD1 3.6Å; F473-L477 HydrophobicContact CD1-CG 4.1Å; F473-L477 HydrophobicContact CE1-CD1 3.19Å; F473-L477 HydrophobicContact CE1-CD2 4.49Å; F473-L477 HydrophobicContact CE1-CG 3.85Å; F473-L477 HydrophobicContact CE2-CG 4.34Å; F473-L477 HydrophobicContact CG-CD1 4.5Å; F473-L477 HydrophobicContact CZ-CD1 3.7Å; F473-L477 HydrophobicContact CZ-CD2 4.19Å; F473-L477 HydrophobicContact CZ-CG 3.96Å; F473-L477 WeakPolarHBondContact O-CB 3.38Å; F473-L477 WeakPolarHBondContact O-CG 3.42Å; F473-L477 PolarHBondContact O-N 2.94Å; G475-L477 PolarHBondContact O-N 2.93Å; L477-Y479 PolarHBondContact O-N 3.16Å
478S40.3Very low36.3Very low69 Ų6983 Ų8348%0.48350%0.501SS..Hα-helixtrans-73.8-11.6174.4790000114R458 A474 G475 F476 H480R458-S478 PolarHBondContact NH2-O 3.41Å; A474-S478 VanDerWaalsContact O-CB 3.28Å; A474-S478 WeakPolarHBondContact O-CB 3.27Å; A474-S478 PolarHBondContact O-N 2.8Å; A474-S478 PolarHBondContact O-OG 3.32Å; G475-S478 WeakPolarHBondContact CA-OG 3.4Å; G475-S478 WeakPolarHBondContact O-CA 3.48Å; G475-S478 WeakPolarHBondContact O-CB 3.34Å; G475-S478 PolarHBondContact O-N 3.32Å; G475-S478 PolarHBondContact O-OG 3.3Å; F476-S478 PolarHBondContact O-N 2.87Å; S478-H480 PolarHBondContact O-N 3.19Å
479Y37.4Very low35.3Very low95 Ų9584.8 Ų84.837%0.37352%0.519SS..  trans-62.1124.9-179.4-171.2-108.1000111.1M424 R458 G475 F476 L477 P481 A507M424-Y479 HydrophobicContact CE-CE1 4.13Å; R458-Y479 PolarHBondContact NH1-O 2.98Å; G475-Y479 PolarHBondContact O-N 2.96Å; F476-Y479 WeakPolarHBondContact O-CB 3.38Å; F476-Y479 PolarHBondContact O-N 2.9Å; F476-Y479 VanDerWaalsContact O-N 3.11Å; L477-Y479 PolarHBondContact O-N 3.16Å; Y479-P481 HydrophobicContact CE1-CB 4.23Å; Y479-A507 HydrophobicContact CD2-CB 3.81Å; Y479-A507 HydrophobicContact CE2-CB 4.41Å
480H33.6Very low34.4Very low142 Ų14290.7 Ų90.766%0.65754%0.538SS*.  trans-106.7116.5168.3-126.6-75.8000105.2S478 S482S478-H480 PolarHBondContact O-N 3.19Å; H480-S482 PolarHBondContact O-N 2.94Å
481P34Very low33.5Very low87 Ų8791.5 Ų91.557%0.56555%0.554SS**  trans-61.1113.1166.323.5-28.1000106.1Y479 S483Y479-P481 HydrophobicContact CE1-CB 4.23Å; P481-S483 PolarHBondContact O-N 2.78Å
482S26.2Very low32.7Very low110 Ų11092.8 Ų92.877%0.76956%0.56SS**  trans-50.2118.4166-61.70000106H480 S484H480-S482 PolarHBondContact O-N 2.94Å; S482-S484 PolarHBondContact O-N 3.42Å; S482-S484 VanDerWaalsContact O-N 3.07Å
483S27Very low31.9Very low103 Ų10394.6 Ų94.672%0.7257%0.572SS**  trans-43.9121.7172.346.50000107.3P481 S485P481-S483 PolarHBondContact O-N 2.78Å; S483-S485 VanDerWaalsContact C-N 3.26Å; S483-S485 PolarHBondContact O-N 2.9Å
484S26Very low31Very low118 Ų11899.1 Ų99.183%0.82560%0.601SS**  trans-50.591.3179.652.90000109.7S482 S486S482-S484 PolarHBondContact O-N 3.42Å; S482-S484 VanDerWaalsContact O-N 3.07Å; S484-S486 PolarHBondContact O-N 2.9Å
485S27.4Very low30.3Very low106 Ų106102.5 Ų102.574%0.74162%0.623SS**  trans-67.395.6158.249.70000104.3S483 I487S483-S485 VanDerWaalsContact C-N 3.26Å; S483-S485 PolarHBondContact O-N 2.9Å; S485-I487 PolarHBondContact O-N 2.73Å
486S24.6Very low29.7Very low97 Ų97109.7 Ų109.768%0.67865%0.65SS**  trans14.3102.8147.651.60000114S484 S488S484-S486 PolarHBondContact O-N 2.9Å; S486-S488 VanDerWaalsContact C-N 3.33Å; S486-S488 PolarHBondContact O-N 3.27Å
487I28Very low29.1Very low184 Ų184115.2 Ų115.294%0.94469%0.685SS**  trans-53.6103.4153.9-63.6164.8000106.2S485S485-I487 PolarHBondContact O-N 2.73Å
488S24.9Very low28.8Very low114 Ų114122.1 Ų122.180%0.79772%0.722SS**  trans-157.5115.8166.4-176.80000108.3S486S486-S488 VanDerWaalsContact C-N 3.33Å; S486-S488 PolarHBondContact O-N 3.27Å
489G26Very low28.3Very low67 Ų67126.4 Ų126.469%0.69174%0.735SS**  trans137.280167.800000113.4S491G489-S491 PolarHBondContact O-N 2.84Å; G489-S491 VanDerWaalsContact O-N 3.11Å
490N25.7Very low28Very low178 Ų178130.5 Ų130.595%0.95276%0.757SS**  trans-41.5113.8160.1-75.4-14000111
491S28.1Very low27.7Very low90 Ų90127 Ų12763%0.62975%0.753SS**  trans-138.3112.3151.264.40000109G489 I493G489-S491 PolarHBondContact O-N 2.84Å; G489-S491 VanDerWaalsContact O-N 3.11Å; S491-I493 VanDerWaalsContact C-N 3.26Å; S491-I493 PolarHBondContact O-N 3.33Å
492K26.8Very low27.4Very low211 Ų211127.6 Ų127.692%0.91775%0.751SS**  trans-75.682.5173.7-163.3178.8-170.9-179.40105.9
493I28.1Very low27.5Very low145 Ų145129.2 Ų129.274%0.74475%0.75SS**  trans-105.7104.6173.6-61.3179.1000108.1S491S491-I493 VanDerWaalsContact C-N 3.26Å; S491-I493 PolarHBondContact O-N 3.33Å
494T24.1Very low27.5Very low111 Ų111130.6 Ų130.668%0.68175%0.754SS**  trans-55.3132.5163.8410000111.2
495S27.1Very low27.5Very low92 Ų92134.4 Ų134.464%0.64375%0.75SS**  trans48.6101.6149.261.70000117.7
496H24.9Very low27.4Very low172 Ų172135.2 Ų135.280%0.79675%0.746SS**  162.4147.2109.2-90.5-73000110.7
497T28.6Very low27.6Very low126 Ų126132.4 Ų132.477%0.77373%0.729SS**  trans81.8106.6170.362.60000118E499T497-E499 VanDerWaalsContact C-N 3.35Å; T497-E499 PolarHBondContact O-N 3.37Å; T497-E499 VanDerWaalsContact O-N 3.15Å
498N35.2Very low27.5Very low147 Ų147129.8 Ų129.879%0.78671%0.711SS**THydrogen-bonded Turntrans-80.351.6-173.3-72-31000113.7
499E31.6Very low27.6Very low160 Ų160126.2 Ų126.275%0.74868%0.684SS**THydrogen-bonded Turntrans-111.5-18.8-179.4-71.9-176.9178.400114.6T497T497-E499 VanDerWaalsContact C-N 3.35Å; T497-E499 PolarHBondContact O-N 3.37Å; T497-E499 VanDerWaalsContact O-N 3.15Å
500E29.4Very low27.8Very low181 Ų181123.6 Ų123.685%0.84666%0.655SS**SBendtrans-85.5-11.2176.2-71.7-170.2149.600114.3
501A28.9Very low28Very low69 Ų69118 Ų11857%0.5764%0.639SS**SBendtrans-81.6-22.1179.400000114
502D27Very low28.3Very low99 Ų99117.5 Ų117.553%0.52963%0.629SS.*SBendtrans-88-18.7-173.6-84.4-21.3000114.3V504 R505D502-V504 PolarHBondContact O-N 3.01Å; D502-R505 PolarHBondContact O-N 3.28Å; D502-R505 VanDerWaalsContact O-N 3.16Å
503I27.7Very low28.9Very low144 Ų144108 Ų10874%0.73859%0.589SS**THydrogen-bonded Turntrans-70.4-20.4177.3-57.7177.6000111.4R505I503-R505 VanDerWaalsContact C-N 3.34Å
504V27.1Very low29.6Very low132 Ų132105.4 Ų105.480%0.857%0.573SS**THydrogen-bonded Turntrans-78.3-15.7176-176.60000112.5D502D502-V504 PolarHBondContact O-N 3.01Å
505R27.2Very low30.3Very low198 Ų198101.6 Ų101.675%0.74755%0.55SS**THydrogen-bonded Turntrans-99.3-22.2-170.5-103.8-178.7174.2-178.8-1.5117.2D502 I503D502-R505 PolarHBondContact O-N 3.28Å; D502-R505 VanDerWaalsContact O-N 3.16Å; I503-R505 VanDerWaalsContact C-N 3.34Å
506N24.9Very low30.9Very low122 Ų12298.1 Ų98.165%0.65252%0.524SS*.  trans-109.621.1-163.3-70.2-15.8000117.2F508N506-F508 PolarHBondContact O-N 3.49Å
507A27.7Very low31.8Very low39 Ų3994.5 Ų94.532%0.32250%0.503SS..SBendtrans-75.2103.814300000105.4Y479 V509Y479-A507 HydrophobicContact CD2-CB 3.81Å; Y479-A507 HydrophobicContact CE2-CB 4.41Å; A507-V509 PolarHBondContact O-N 2.84Å
508F25.8Very low32.5Very low128 Ų12892 Ų9256%0.56149%0.485SS*.  trans-62.383.2174-113.6-91.5000108.5Q472 N506 T510Q472-F508 HydrophobicContact CG-CB 4.5Å; N506-F508 PolarHBondContact O-N 3.49Å; F508-T510 PolarHBondContact O-N 3.25Å
509V27.1Very low32.9Very low40 Ų4085 Ų8524%0.24245%0.447CS..  trans-72.1105.9164.8175.40000105M424 F476 A507 G511M424-V509 HydrophobicContact CE-CG2 4.03Å; M424-V509 HydrophobicContact SD-CB 4.24Å; M424-V509 HydrophobicContact SD-CG1 3.6Å; M424-V509 VanDerWaalsContact SD-CG1 3.6Å; M424-V509 HydrophobicContact SD-CG2 4.02Å; F476-V509 HydrophobicContact CD2-CB 3.81Å; F476-V509 HydrophobicContact CD2-CG1 3.38Å; F476-V509 HydrophobicContact CD2-CG2 3.81Å; F476-V509 HydrophobicContact CE2-CB 4.28Å; F476-V509 HydrophobicContact CE2-CG1 3.42Å; F476-V509 VanDerWaalsContact CE2-CG1 3.42Å; F476-V509 HydrophobicContact CE2-CG2 4.24Å; A507-V509 PolarHBondContact O-N 2.84Å; V509-G511 VanDerWaalsContact C-N 3.3Å; V509-G511 PolarHBondContact O-N 2.89Å
510T31.7Very low33.6Very low11 Ų1181.1 Ų81.17%0.06743%0.426CS..  trans-71.397.5166.386.30000106Q472 F508 D512 T515Q472-T510 HydrophobicContact CB-CG2 3.96Å; F508-T510 PolarHBondContact O-N 3.25Å; T510-D512 PolarHBondContact O-N 2.76Å; T510-T515 HydrophobicContact CG2-CG2 4.42Å
511G28.4Very low34.5Very low61 Ų6176.8 Ų76.863%0.62941%0.408SS*.  trans-66.8-8.1164.800000112.2V509 L513V509-G511 VanDerWaalsContact C-N 3.3Å; V509-G511 PolarHBondContact O-N 2.89Å; G511-L513 PolarHBondContact O-N 3.37Å; G511-L513 VanDerWaalsContact O-N 3.13Å
512D34.9Very low35.2Very low79 Ų7977.4 Ų77.442%0.42240%0.396SS..  trans-68.8105.6176.9178.631000111.4T510 E514 T515 I516T510-D512 PolarHBondContact O-N 2.76Å; D512-E514 PolarHBondContact O-N 3.11Å; D512-E514 WeakPolarHBondContact OD1-CB 3.34Å; D512-E514 PolarHBondContact OD1-N 2.95Å; D512-T515 WeakPolarHBondContact O-CB 3.13Å; D512-T515 PolarHBondContact O-N 3.24Å; D512-T515 WeakPolarHBondContact OD2-CB 3.2Å; D512-T515 PolarHBondContact OD2-N 3.25Å; D512-T515 PolarHBondContact OD2-OG1 2.96Å; D512-I516 PolarHBondContact O-N 3.38Å
513L39.5Very low36.3Very low12 Ų1273.3 Ų73.36%0.06337%0.374CS..Hα-helixtrans-67.8-22.4175.4-163.895000112.2N438 L440 G511 T515 I516 R517N438-L513 VanDerWaalsContact C-CD2 3.48Å; N438-L513 HydrophobicContact CB-CB 4.08Å; N438-L513 HydrophobicContact CB-CD2 3.13Å; N438-L513 HydrophobicContact CB-CG 4.12Å; N438-L513 WeakPolarHBondContact O-CB 3.46Å; N438-L513 VanDerWaalsContact O-CD1 3.3Å; N438-L513 WeakPolarHBondContact O-CD1 3.2Å; N438-L513 WeakPolarHBondContact O-CD2 3.35Å; N438-L513 WeakPolarHBondContact O-CG 3.1Å; L440-L513 HydrophobicContact CB-CD1 4.13Å; L440-L513 HydrophobicContact CD1-CD1 3.58Å; L440-L513 HydrophobicContact CG-CD1 3.48Å; L440-L513 VanDerWaalsContact CG-CD1 3.48Å; G511-L513 PolarHBondContact O-N 3.37Å; G511-L513 VanDerWaalsContact O-N 3.13Å; L513-T515 VanDerWaalsContact C-N 3.31Å; L513-I516 CarbonylContact O-C 3.5Å; L513-I516 PolarHBondContact O-N 2.73Å; L513-R517 HydrophobicContact CD2-CG 3.85Å; L513-R517 HydrophobicContact CG-CG 4.22Å; L513-R517 WeakPolarHBondContact O-CB 3.28Å; L513-R517 PolarHBondContact O-N 3.47Å
514E42.3Very low37.3Very low90 Ų9073.1 Ų73.142%0.42136%0.364SS..Hα-helixtrans-64.2-45.2175.6-163.756.4-152.700109.5D512 I516 R517 I518D512-E514 PolarHBondContact O-N 3.11Å; D512-E514 WeakPolarHBondContact OD1-CB 3.34Å; D512-E514 PolarHBondContact OD1-N 2.95Å; E514-I516 VanDerWaalsContact C-N 3.34Å; E514-I516 PolarHBondContact O-N 2.86Å; E514-R517 PolarHBondContact O-N 3.25Å; E514-I518 HydrophobicContact CG-CD1 3.9Å; E514-I518 HydrophobicContact CG-CG1 4.38Å; E514-I518 WeakPolarHBondContact O-CB 3.41Å; E514-I518 WeakPolarHBondContact O-CD1 3.28Å; E514-I518 WeakPolarHBondContact O-CG1 3.41Å; E514-I518 PolarHBondContact O-N 3.25Å
515T39Very low38.2Very low32 Ų3269.4 Ų69.420%0.19634%0.339CS..Hα-helixtrans-53.5-46.5168.5-61.80000112.1W470 T510 D512 L513 I518 L519W470-T515 HydrophobicContact CE3-CG2 4.3Å; W470-T515 HydrophobicContact CZ3-CG2 4.08Å; T510-T515 HydrophobicContact CG2-CG2 4.42Å; D512-T515 WeakPolarHBondContact O-CB 3.13Å; D512-T515 PolarHBondContact O-N 3.24Å; D512-T515 WeakPolarHBondContact OD2-CB 3.2Å; D512-T515 PolarHBondContact OD2-N 3.25Å; D512-T515 PolarHBondContact OD2-OG1 2.96Å; L513-T515 VanDerWaalsContact C-N 3.31Å; T515-I518 PolarHBondContact O-N 2.75Å; T515-L519 HydrophobicContact CG2-CD1 3.89Å; T515-L519 HydrophobicContact CG2-CG 4.47Å; T515-L519 WeakPolarHBondContact O-CB 3.14Å; T515-L519 WeakPolarHBondContact O-CD1 3.44Å; T515-L519 WeakPolarHBondContact O-CG 3.4Å; T515-L519 PolarHBondContact O-N 3.16Å
516I40.7Very low39.3Very low18 Ų1861.3 Ų61.39%0.09231%0.312CS..Hα-helixtrans-69-34.7-179.8-64.3173.8000113L440 D512 L513 E514 L519 Y520L440-I516 HydrophobicContact CD1-CD1 3.57Å; L440-I516 HydrophobicContact CD2-CD1 4.32Å; L440-I516 HydrophobicContact CD2-CG2 4.23Å; L440-I516 HydrophobicContact CG-CD1 4.31Å; D512-I516 PolarHBondContact O-N 3.38Å; L513-I516 CarbonylContact O-C 3.5Å; L513-I516 PolarHBondContact O-N 2.73Å; E514-I516 VanDerWaalsContact C-N 3.34Å; E514-I516 PolarHBondContact O-N 2.86Å; I516-L519 WeakPolarHBondContact O-CB 3.34Å; I516-Y520 WeakPolarHBondContact O-CB 3.2Å; I516-Y520 PolarHBondContact O-N 2.79Å
517R42.8Very low40.4Very low96 Ų9660.3 Ų60.336%0.36230%0.3SS..Hα-helixtrans-71.7-45.3174.7-84.6-178.3171.4167.53.1111.4N438 L513 E514 L519 Y520 I521N438-R517 PolarHBondContact ND2-NH1 2.74Å; L513-R517 HydrophobicContact CD2-CG 3.85Å; L513-R517 HydrophobicContact CG-CG 4.22Å; L513-R517 WeakPolarHBondContact O-CB 3.28Å; L513-R517 PolarHBondContact O-N 3.47Å; E514-R517 PolarHBondContact O-N 3.25Å; R517-L519 PolarHBondContact O-N 3.09Å; R517-Y520 CarbonylContact O-C 3.6Å; R517-Y520 PolarHBondContact O-N 3.24Å; R517-Y520 VanDerWaalsContact O-N 3.13Å; R517-I521 WeakPolarHBondContact O-CB 3.49Å; R517-I521 VanDerWaalsContact O-CG1 3.25Å; R517-I521 WeakPolarHBondContact O-CG1 3.35Å; R517-I521 PolarHBondContact O-N 2.82Å
518I43.2Very low41.5Very low74 Ų7462.7 Ų62.738%0.37930%0.303SS..Hα-helixtrans-59.6-42.8173.9-64.3164.1000108.7W470 E514 T515 I521 Y522W470-I518 HydrophobicContact CH2-CB 4.28Å; W470-I518 HydrophobicContact CH2-CG2 3.54Å; W470-I518 HydrophobicContact CZ2-CG2 4.33Å; W470-I518 HydrophobicContact CZ3-CG2 4.39Å; E514-I518 HydrophobicContact CG-CD1 3.9Å; E514-I518 HydrophobicContact CG-CG1 4.38Å; E514-I518 WeakPolarHBondContact O-CB 3.41Å; E514-I518 WeakPolarHBondContact O-CD1 3.28Å; E514-I518 WeakPolarHBondContact O-CG1 3.41Å; E514-I518 PolarHBondContact O-N 3.25Å; T515-I518 PolarHBondContact O-N 2.75Å; I518-I521 PolarHBondContact O-N 3.18Å; I518-Y522 WeakPolarHBondContact O-CB 3.48Å; I518-Y522 PolarHBondContact O-N 3.4Å
519L43.7Very low42.8Very low1 Ų159.6 Ų59.61%0.00529%0.29CS..Hα-helixtrans-60.4-45.7172.7-78.3166.2000112W470 F473 T515 I516 R517 Y522 F523W470-L519 HydrophobicContact CB-CD2 4.39Å; W470-L519 HydrophobicContact CD2-CD2 3.53Å; W470-L519 HydrophobicContact CD2-CG 4.32Å; W470-L519 HydrophobicContact CE3-CD1 4.15Å; W470-L519 HydrophobicContact CE3-CD2 3.32Å; W470-L519 HydrophobicContact CE3-CG 3.62Å; W470-L519 HydrophobicContact CG-CD2 3.99Å; W470-L519 HydrophobicContact CH2-CD2 4.41Å; W470-L519 HydrophobicContact CH2-CG 4.43Å; W470-L519 HydrophobicContact CZ3-CD1 4.43Å; W470-L519 HydrophobicContact CZ3-CD2 3.8Å; W470-L519 HydrophobicContact CZ3-CG 3.67Å; F473-L519 HydrophobicContact CB-CD1 3.77Å; F473-L519 HydrophobicContact CD1-CD1 4.03Å; F473-L519 HydrophobicContact CD1-CD2 4.45Å; F473-L519 HydrophobicContact CD2-CD1 3.29Å; F473-L519 HydrophobicContact CE1-CD1 4.33Å; F473-L519 HydrophobicContact CE2-CD1 3.73Å; F473-L519 HydrophobicContact CG-CD1 3.43Å; F473-L519 VanDerWaalsContact CG-CD1 3.43Å; F473-L519 HydrophobicContact CG-CD2 4.49Å; F473-L519 HydrophobicContact CZ-CD1 4.21Å; T515-L519 HydrophobicContact CG2-CD1 3.89Å; T515-L519 HydrophobicContact CG2-CG 4.47Å; T515-L519 WeakPolarHBondContact O-CB 3.14Å; T515-L519 WeakPolarHBondContact O-CD1 3.44Å; T515-L519 WeakPolarHBondContact O-CG 3.4Å; T515-L519 PolarHBondContact O-N 3.16Å; I516-L519 WeakPolarHBondContact O-CB 3.34Å; R517-L519 PolarHBondContact O-N 3.09Å; L519-Y522 CarbonylContact O-C 3.58Å; L519-Y522 WeakPolarHBondContact O-CB 3.42Å; L519-Y522 PolarHBondContact O-N 3.18Å; L519-F523 HydrophobicContact CB-CD2 4.31Å; L519-F523 HydrophobicContact CB-CE2 3.83Å; L519-F523 HydrophobicContact CB-CZ 4.45Å; L519-F523 HydrophobicContact CD2-CE2 4.19Å; L519-F523 HydrophobicContact CD2-CZ 3.97Å; L519-F523 WeakPolarHBondContact O-CB 3.28Å; L519-F523 WeakPolarHBondContact O-CD2 3.26Å; L519-F523 WeakPolarHBondContact O-CG 3.37Å; L519-F523 PolarHBondContact O-N 3.47Å
520Y46.6Very low43.9Very low78 Ų7858 Ų5831%0.30628%0.28SS..Hα-helixtrans-63.9-42.3177.4176-97.1000112.4I447 L451 I516 R517 F523 R524I447-Y520 HydrophobicContact CG2-CE2 3.55Å; I447-Y520 WeakPolarHBondContact CG2-OH 3.47Å; L451-Y520 HydrophobicContact CD1-CD2 4.42Å; L451-Y520 HydrophobicContact CD1-CE2 4.18Å; L451-Y520 HydrophobicContact CD2-CE2 4.26Å; I516-Y520 WeakPolarHBondContact O-CB 3.2Å; I516-Y520 PolarHBondContact O-N 2.79Å; R517-Y520 CarbonylContact O-C 3.6Å; R517-Y520 PolarHBondContact O-N 3.24Å; R517-Y520 VanDerWaalsContact O-N 3.13Å; Y520-F523 PolarHBondContact O-N 2.85Å; Y520-R524 WeakPolarHBondContact O-CB 3.46Å; Y520-R524 PolarHBondContact O-N 2.78Å
521I47.6Very low44.8Very low90 Ų9059.7 Ų59.746%0.46229%0.289SS..Hα-helixtrans-61.8-50.2174-70.4166.6000108.7R517 I518 F523 R524 D525R517-I521 WeakPolarHBondContact O-CB 3.49Å; R517-I521 VanDerWaalsContact O-CG1 3.25Å; R517-I521 WeakPolarHBondContact O-CG1 3.35Å; R517-I521 PolarHBondContact O-N 2.82Å; I518-I521 PolarHBondContact O-N 3.18Å; I521-F523 PolarHBondContact O-N 3.41Å; I521-R524 CarbonylContact O-C 3.58Å; I521-R524 WeakPolarHBondContact O-CB 3.26Å; I521-R524 PolarHBondContact O-N 2.87Å; I521-R524 VanDerWaalsContact O-N 3.15Å; I521-D525 VanDerWaalsContact CG2-OD2 3.27Å; I521-D525 WeakPolarHBondContact CG2-OD2 3.38Å; I521-D525 VanDerWaalsContact O-CB 3.31Å; I521-D525 WeakPolarHBondContact O-CB 3.02Å; I521-D525 PolarHBondContact O-N 3.23Å
522Y45.1Very low45.9Very low81 Ų8160.7 Ų60.732%0.31827%0.274SS..Hα-helixtrans-56.3-46.9175.2177.3-98.6000112.2I518 L519 D525 V526I518-Y522 WeakPolarHBondContact O-CB 3.48Å; I518-Y522 PolarHBondContact O-N 3.4Å; L519-Y522 CarbonylContact O-C 3.58Å; L519-Y522 WeakPolarHBondContact O-CB 3.42Å; L519-Y522 PolarHBondContact O-N 3.18Å; Y522-D525 CarbonylContact O-C 3.53Å; Y522-D525 PolarHBondContact O-N 3.44Å; Y522-V526 HydrophobicContact CD1-CG2 4.16Å; Y522-V526 HydrophobicContact CD2-CG2 4.41Å; Y522-V526 HydrophobicContact CE1-CG2 3.75Å; Y522-V526 HydrophobicContact CE2-CG2 4.03Å; Y522-V526 HydrophobicContact CG-CG2 4.47Å; Y522-V526 WeakPolarHBondContact O-CB 3.42Å; Y522-V526 VanDerWaalsContact O-CG2 3.28Å; Y522-V526 WeakPolarHBondContact O-CG2 3.46Å; Y522-V526 PolarHBondContact O-N 3.36Å
523F48.6Very low46.7Very low14 Ų1457.7 Ų57.76%0.06126%0.257CS..Hα-helixtrans-65.5-40.3177.2-66.3-45.6000111.8L461 L464 A465 F473 L519 Y520 I521 D525 Y527L461-F523 HydrophobicContact CD2-CD2 3.82Å; L461-F523 HydrophobicContact CD2-CE1 4.45Å; L461-F523 HydrophobicContact CD2-CE2 3.73Å; L461-F523 HydrophobicContact CD2-CG 4.23Å; L461-F523 HydrophobicContact CD2-CZ 4.06Å; L464-F523 HydrophobicContact CB-CD1 3.83Å; L464-F523 HydrophobicContact CB-CE1 3.35Å; L464-F523 HydrophobicContact CB-CZ 4.39Å; L464-F523 HydrophobicContact CD1-CD1 3.8Å; L464-F523 HydrophobicContact CD1-CE1 4.09Å; L464-F523 HydrophobicContact CG-CD1 4.37Å; L464-F523 HydrophobicContact CG-CE1 4.32Å; A465-F523 HydrophobicContact CB-CZ 4.45Å; F473-F523 HydrophobicContact CD1-CZ 4.33Å; F473-F523 AromaticContact CE1-CE2 3.8Å; F473-F523 HydrophobicContact CE1-CE2 3.8Å; F473-F523 AromaticContact CE1-CZ 3.71Å; F473-F523 HydrophobicContact CE1-CZ 3.71Å; F473-F523 HydrophobicContact CZ-CE2 4.08Å; F473-F523 HydrophobicContact CZ-CZ 4.45Å; L519-F523 HydrophobicContact CB-CD2 4.31Å; L519-F523 HydrophobicContact CB-CE2 3.83Å; L519-F523 HydrophobicContact CB-CZ 4.45Å; L519-F523 HydrophobicContact CD2-CE2 4.19Å; L519-F523 HydrophobicContact CD2-CZ 3.97Å; L519-F523 WeakPolarHBondContact O-CB 3.28Å; L519-F523 WeakPolarHBondContact O-CD2 3.26Å; L519-F523 WeakPolarHBondContact O-CG 3.37Å; L519-F523 PolarHBondContact O-N 3.47Å; Y520-F523 PolarHBondContact O-N 2.85Å; I521-F523 PolarHBondContact O-N 3.41Å; F523-D525 VanDerWaalsContact C-N 3.28Å; F523-Y527 VanDerWaalsContact O-CB 3.31Å; F523-Y527 WeakPolarHBondContact O-CB 3.34Å; F523-Y527 PolarHBondContact O-N 3.03Å
524R48.9Very low47.2Very low139 Ų13958.8 Ų58.853%0.52526%0.262SS..Hα-helixtrans-63.6-38174.1-175.8-179.4-179.3-167-2.6110.6Y520 I521 K528Y520-R524 WeakPolarHBondContact O-CB 3.46Å; Y520-R524 PolarHBondContact O-N 2.78Å; I521-R524 CarbonylContact O-C 3.58Å; I521-R524 WeakPolarHBondContact O-CB 3.26Å; I521-R524 PolarHBondContact O-N 2.87Å; I521-R524 VanDerWaalsContact O-N 3.15Å; R524-K528 HydrophobicContact CG-CD 4.38Å; R524-K528 VanDerWaalsContact O-CB 3.31Å; R524-K528 WeakPolarHBondContact O-CB 3.49Å; R524-K528 WeakPolarHBondContact O-CG 3.44Å; R524-K528 PolarHBondContact O-N 3.04Å
525D47.3Very low47.7Very low55 Ų5561 Ų6129%0.29427%0.266SS..Hα-helixtrans-75.5-41.9-179.5-68.2-19.4000111.2I521 Y522 F523 Y527 K528 H529I521-D525 VanDerWaalsContact CG2-OD2 3.27Å; I521-D525 WeakPolarHBondContact CG2-OD2 3.38Å; I521-D525 VanDerWaalsContact O-CB 3.31Å; I521-D525 WeakPolarHBondContact O-CB 3.02Å; I521-D525 PolarHBondContact O-N 3.23Å; Y522-D525 CarbonylContact O-C 3.53Å; Y522-D525 PolarHBondContact O-N 3.44Å; F523-D525 VanDerWaalsContact C-N 3.28Å; D525-Y527 VanDerWaalsContact C-N 3.31Å; D525-Y527 PolarHBondContact O-N 3.39Å; D525-K528 CarbonylContact O-C 3.5Å; D525-K528 PolarHBondContact O-N 3.46Å; D525-K528 IonicContact OD1-NZ 3.83Å; D525-H529 VanDerWaalsContact O-CB 3.31Å; D525-H529 WeakPolarHBondContact O-CB 3.38Å; D525-H529 PolarHBondContact O-CD2 3.02Å; D525-H529 PolarHBondContact O-N 3.5Å
526V49.2Very low48.4Very low28 Ų2861 Ų6117%0.1727%0.267CS..Hα-helixtrans-57.2-46.3168.9170.70000110.2L464 Y522 H529 L530L464-V526 HydrophobicContact CD2-CG1 4.17Å; Y522-V526 HydrophobicContact CD1-CG2 4.16Å; Y522-V526 HydrophobicContact CD2-CG2 4.41Å; Y522-V526 HydrophobicContact CE1-CG2 3.75Å; Y522-V526 HydrophobicContact CE2-CG2 4.03Å; Y522-V526 HydrophobicContact CG-CG2 4.47Å; Y522-V526 WeakPolarHBondContact O-CB 3.42Å; Y522-V526 VanDerWaalsContact O-CG2 3.28Å; Y522-V526 WeakPolarHBondContact O-CG2 3.46Å; Y522-V526 PolarHBondContact O-N 3.36Å; V526-H529 PolarHBondContact O-N 3.21Å; V526-L530 HydrophobicContact CG1-CD1 4.14Å; V526-L530 HydrophobicContact CG1-CG 4.49Å; V526-L530 VanDerWaalsContact O-CG 3.3Å; V526-L530 WeakPolarHBondContact O-CG 3.49Å; V526-L530 PolarHBondContact O-N 2.98Å
527Y48.5Very low48.9Very low101 Ų10161.6 Ų61.640%0.39627%0.268SS..Hα-helixtrans-64.9-44.2177.3-171.5-90.9000112V454 F523 D525 H529 L530 D531V454-Y527 HydrophobicContact CG1-CD2 3.92Å; V454-Y527 HydrophobicContact CG1-CE2 3.42Å; V454-Y527 VanDerWaalsContact CG1-CE2 3.42Å; V454-Y527 HydrophobicContact CG2-CE2 4.43Å; F523-Y527 VanDerWaalsContact O-CB 3.31Å; F523-Y527 WeakPolarHBondContact O-CB 3.34Å; F523-Y527 PolarHBondContact O-N 3.03Å; D525-Y527 VanDerWaalsContact C-N 3.31Å; D525-Y527 PolarHBondContact O-N 3.39Å; Y527-H529 VanDerWaalsContact C-N 3.29Å; Y527-H529 PolarHBondContact O-N 3.49Å; Y527-L530 PolarHBondContact O-N 3.08Å; Y527-D531 WeakPolarHBondContact O-CB 3.24Å; Y527-D531 PolarHBondContact O-N 3.21Å
528K51.5Low49.3Very low89 Ų8960.8 Ų60.839%0.38727%0.27SS..Hα-helixtrans-60.4-37.8172.8-79.6173.8174.4-177.20111.8R524 D525 D531 R532R524-K528 HydrophobicContact CG-CD 4.38Å; R524-K528 VanDerWaalsContact O-CB 3.31Å; R524-K528 WeakPolarHBondContact O-CB 3.49Å; R524-K528 WeakPolarHBondContact O-CG 3.44Å; R524-K528 PolarHBondContact O-N 3.04Å; D525-K528 CarbonylContact O-C 3.5Å; D525-K528 PolarHBondContact O-N 3.46Å; D525-K528 IonicContact OD1-NZ 3.83Å; K528-D531 PolarHBondContact O-N 3.22Å; K528-R532 WeakPolarHBondContact O-CB 3.49Å; K528-R532 PolarHBondContact O-N 2.89Å
529H51.7Low49.7Very low62 Ų6263 Ų6329%0.28728%0.279SS..Hα-helixtrans-67-42.3175.9-74.7-42.4000111I132 D525 V526 Y527 R532 H533I132-H529 WeakPolarHBondContact CD1-CE1 3.48Å; D525-H529 VanDerWaalsContact O-CB 3.31Å; D525-H529 WeakPolarHBondContact O-CB 3.38Å; D525-H529 PolarHBondContact O-CD2 3.02Å; D525-H529 PolarHBondContact O-N 3.5Å; V526-H529 PolarHBondContact O-N 3.21Å; Y527-H529 VanDerWaalsContact C-N 3.29Å; Y527-H529 PolarHBondContact O-N 3.49Å; H529-R532 PolarHBondContact O-N 2.8Å; H529-H533 WeakPolarHBondContact O-CB 3.28Å; H529-H533 PolarHBondContact O-CD2 3.03Å; H529-H533 VanDerWaalsContact O-CD2 3.29Å; H529-H533 PolarHBondContact O-N 3.18Å
530L51.9Low49.7Very low6 Ų666.4 Ų66.43%0.03130%0.298CS..Hα-helixtrans-64.1-43.9173.4-69.5172.2000111.5Y140 I143 R144 L147 L149 V526 Y527 R532 H533 E534Y140-L530 HydrophobicContact CD2-CD2 3.73Å; Y140-L530 HydrophobicContact CE2-CB 4.33Å; Y140-L530 HydrophobicContact CE2-CD2 3.86Å; Y140-L530 VanDerWaalsContact CE2-O 3.26Å; Y140-L530 WeakPolarHBondContact CE2-O 3.32Å; I143-L530 HydrophobicContact CB-CD2 4.45Å; I143-L530 HydrophobicContact CG2-CD1 4.26Å; I143-L530 HydrophobicContact CG2-CD2 3.96Å; R144-L530 HydrophobicContact CG-CD2 4.31Å; L147-L530 HydrophobicContact CD1-CD1 3.84Å; L149-L530 HydrophobicContact CD1-CD1 3.79Å; V526-L530 HydrophobicContact CG1-CD1 4.14Å; V526-L530 HydrophobicContact CG1-CG 4.49Å; V526-L530 VanDerWaalsContact O-CG 3.3Å; V526-L530 WeakPolarHBondContact O-CG 3.49Å; V526-L530 PolarHBondContact O-N 2.98Å; Y527-L530 PolarHBondContact O-N 3.08Å; L530-R532 VanDerWaalsContact C-N 3.31Å; L530-R532 PolarHBondContact O-N 3.36Å; L530-H533 PolarHBondContact O-N 2.89Å; L530-E534 VanDerWaalsContact O-CB 3.27Å; L530-E534 WeakPolarHBondContact O-CB 3.44Å; L530-E534 PolarHBondContact O-N 3.42Å
531D50.2Low49.3Very low48 Ų4865.9 Ų65.926%0.25730%0.3SS..Hα-helixtrans-66.1-32.7175.6-165.451.9000111.8Y527 K528 E534 R535Y527-D531 WeakPolarHBondContact O-CB 3.24Å; Y527-D531 PolarHBondContact O-N 3.21Å; K528-D531 PolarHBondContact O-N 3.22Å; D531-E534 WeakPolarHBondContact O-CB 3.42Å; D531-R535 WeakPolarHBondContact O-CG 3.29Å; D531-R535 PolarHBondContact O-N 3.38Å; D531-R535 VanDerWaalsContact O-N 3.08Å; D531-R535 IonicContact OD2-CZ 3.95Å; D531-R535 IonicContact OD2-NE 3.74Å; D531-R535 IonicContact OD2-NH2 3Å; D531-R535 PolarHBondContact OD2-NH2 2.99Å
532R51.6Low48.8Very low82 Ų8265.1 Ų65.131%0.30930%0.303SS..Hα-helixtrans-71.8-46.9174.3-177.5176.6171.7-165.9-10.2111.9Y129 K528 H529 L530 E534 R535 C536Y129-R532 VanDerWaalsContact CB-NH1 3.32Å; Y129-R532 PolarHBondContact O-NH1 2.78Å; Y129-R532 PolarHBondContact O-NH2 3.28Å; K528-R532 WeakPolarHBondContact O-CB 3.49Å; K528-R532 PolarHBondContact O-N 2.89Å; H529-R532 PolarHBondContact O-N 2.8Å; L530-R532 VanDerWaalsContact C-N 3.31Å; L530-R532 PolarHBondContact O-N 3.36Å; R532-E534 PolarHBondContact O-N 2.8Å; R532-R535 PolarHBondContact O-N 2.77Å; R532-C536 PolarHBondContact O-N 2.73Å; R532-C536 PolarHBondContact O-SG 2.97Å
533H50.9Low48.3Very low16 Ų1666.9 Ų66.97%0.07432%0.318CS..Hα-helixtrans-60.1-38.7173.8-89.8-76.9000111L135 Y140 H529 L530 C536 Y537L135-H533 PolarHBondContact N-CE1 2.99Å; L135-H533 PolarHBondContact N-NE2 2.85Å; Y140-H533 HydrophobicContact CD2-CB 3.55Å; Y140-H533 HydrophobicContact CE2-CB 3.67Å; Y140-H533 HydrophobicContact CG-CB 4.33Å; H529-H533 WeakPolarHBondContact O-CB 3.28Å; H529-H533 PolarHBondContact O-CD2 3.03Å; H529-H533 VanDerWaalsContact O-CD2 3.29Å; H529-H533 PolarHBondContact O-N 3.18Å; L530-H533 PolarHBondContact O-N 2.89Å; H533-C536 PolarHBondContact O-N 3.32Å; H533-Y537 HydrophobicContact CB-CD2 4.46Å; H533-Y537 HydrophobicContact CB-CE2 4.3Å; H533-Y537 WeakPolarHBondContact O-CD2 3.43Å; H533-Y537 PolarHBondContact O-N 3.22Å
534E50.8Low47.3Very low34 Ų3470.5 Ų70.516%0.15934%0.335CS..Hα-helixtrans-53.4-53.3170.9-177.3154.6-172.600111.7Y140 R144 S152 L530 D531 R532 C536 Y537 L538Y140-E534 WeakPolarHBondContact OH-CA 3.35Å; Y140-E534 WeakPolarHBondContact OH-CB 3.4Å; R144-E534 IonicContact CZ-OE2 3.8Å; R144-E534 IonicContact NH1-OE2 3.49Å; R144-E534 PolarHBondContact NH1-OE2 2.84Å; R144-E534 IonicContact NH2-OE1 3.66Å; R144-E534 IonicContact NH2-OE2 3.07Å; R144-E534 PolarHBondContact NH2-OE2 3.1Å; S152-E534 WeakPolarHBondContact CA-OE1 3.39Å; S152-E534 VanDerWaalsContact CB-CG 3.47Å; S152-E534 WeakPolarHBondContact CB-OE1 3.37Å; L530-E534 VanDerWaalsContact O-CB 3.27Å; L530-E534 WeakPolarHBondContact O-CB 3.44Å; L530-E534 PolarHBondContact O-N 3.42Å; D531-E534 WeakPolarHBondContact O-CB 3.42Å; R532-E534 PolarHBondContact O-N 2.8Å; E534-C536 PolarHBondContact O-N 2.72Å; E534-Y537 PolarHBondContact O-N 2.95Å; E534-L538 HydrophobicContact CG-CD1 3.8Å; E534-L538 HydrophobicContact CG-CG 4.49Å; E534-L538 WeakPolarHBondContact O-CB 3.01Å; E534-L538 VanDerWaalsContact O-CG 3.28Å; E534-L538 WeakPolarHBondContact O-CG 3.34Å; E534-L538 PolarHBondContact O-N 3Å
535R52Low46.3Very low137 Ų13770.8 Ų70.852%0.51734%0.341SS..Hα-helixtrans-60.7-44.6176.2-69.2177.9-157.4176.16.3112.3D531 R532 Y537 L538 E539D531-R535 WeakPolarHBondContact O-CG 3.29Å; D531-R535 PolarHBondContact O-N 3.38Å; D531-R535 VanDerWaalsContact O-N 3.08Å; D531-R535 IonicContact OD2-CZ 3.95Å; D531-R535 IonicContact OD2-NE 3.74Å; D531-R535 IonicContact OD2-NH2 3Å; D531-R535 PolarHBondContact OD2-NH2 2.99Å; R532-R535 PolarHBondContact O-N 2.77Å; R535-Y537 VanDerWaalsContact C-N 3.3Å; R535-Y537 PolarHBondContact O-N 2.89Å; R535-L538 PolarHBondContact O-N 3.47Å; R535-E539 VanDerWaalsContact O-CB 3.28Å; R535-E539 WeakPolarHBondContact O-CB 3.47Å; R535-E539 VanDerWaalsContact O-CG 3.31Å; R535-E539 WeakPolarHBondContact O-CG 3.43Å; R535-E539 PolarHBondContact O-N 3.33Å
536C53.5Low45.4Very low31 Ų3175.3 Ų75.321%0.20937%0.366CS..Hα-helixtrans-59.4-39.7177.3-67.30000112.4F134 R532 H533 E534 N540F134-C536 HydrophobicContact CZ-CB 4.47Å; R532-C536 PolarHBondContact O-N 2.73Å; R532-C536 PolarHBondContact O-SG 2.97Å; H533-C536 PolarHBondContact O-N 3.32Å; E534-C536 PolarHBondContact O-N 2.72Å; C536-N540 WeakPolarHBondContact O-CB 3.49Å; C536-N540 PolarHBondContact O-N 3.45Å; C536-N540 PolarHBondContact O-ND2 3.01Å
537Y51.2Low44.3Very low32 Ų3280.9 Ų80.913%0.12539%0.388CS..Hα-helixtrans-74.2-37.6176.5-73.1-60.1000112.9F134 L135 Y137 Y140 H533 E534 R535 N541F134-Y537 HydrophobicContact CE1-CE1 4.3Å; L135-Y537 PolarHBondContact O-OH 3.21Å; Y137-Y537 VanDerWaalsContact CA-OH 3.26Å; Y137-Y537 WeakPolarHBondContact CA-OH 3.35Å; Y137-Y537 AromaticContact CD2-CD1 3.83Å; Y137-Y537 HydrophobicContact CD2-CD1 3.83Å; Y137-Y537 HydrophobicContact CD2-CD2 4.06Å; Y137-Y537 AromaticContact CD2-CE1 3.83Å; Y137-Y537 HydrophobicContact CD2-CE1 3.83Å; Y137-Y537 HydrophobicContact CD2-CE2 4.07Å; Y137-Y537 AromaticContact CD2-CG 3.98Å; Y137-Y537 HydrophobicContact CD2-CG 3.98Å; Y137-Y537 AromaticContact CD2-CZ 3.97Å; Y137-Y537 HydrophobicContact CE2-CG 4.47Å; Y137-Y537 HydrophobicContact CG-CE1 4.32Å; Y137-Y537 PolarHBondContact N-OH 3.01Å; Y140-Y537 AromaticContact CD1-CD2 3.99Å; Y140-Y537 HydrophobicContact CD1-CD2 3.99Å; Y140-Y537 AromaticContact CD1-CE2 3.93Å; Y140-Y537 HydrophobicContact CD1-CE2 3.93Å; Y140-Y537 HydrophobicContact CE1-CD2 4.17Å; Y140-Y537 HydrophobicContact CG-CD2 4.36Å; Y140-Y537 AromaticContact CG-CE2 3.96Å; Y140-Y537 HydrophobicContact CG-CE2 3.96Å; H533-Y537 HydrophobicContact CB-CD2 4.46Å; H533-Y537 HydrophobicContact CB-CE2 4.3Å; H533-Y537 WeakPolarHBondContact O-CD2 3.43Å; H533-Y537 PolarHBondContact O-N 3.22Å; E534-Y537 PolarHBondContact O-N 2.95Å; R535-Y537 VanDerWaalsContact C-N 3.3Å; R535-Y537 PolarHBondContact O-N 2.89Å; Y537-N541 VanDerWaalsContact O-CB 3.27Å; Y537-N541 WeakPolarHBondContact O-CB 3.15Å; Y537-N541 VanDerWaalsContact O-CG 3.24Å; Y537-N541 PolarHBondContact O-N 3.12Å; Y537-N541 PolarHBondContact O-ND2 3.4Å
538L52Low43.3Very low78 Ų7881.4 Ų81.441%0.40840%0.397SS..Hα-helixtrans-69.1-42.6176.8-70171.5000111.9E534 R535 N541 S542E534-L538 HydrophobicContact CG-CD1 3.8Å; E534-L538 HydrophobicContact CG-CG 4.49Å; E534-L538 WeakPolarHBondContact O-CB 3.01Å; E534-L538 VanDerWaalsContact O-CG 3.28Å; E534-L538 WeakPolarHBondContact O-CG 3.34Å; E534-L538 PolarHBondContact O-N 3Å; R535-L538 PolarHBondContact O-N 3.47Å; L538-N541 PolarHBondContact O-N 3.24Å; L538-S542 PolarHBondContact O-N 3.43Å
539E50.4Low42Very low120 Ų12085.5 Ų85.556%0.56142%0.42SS*.Hα-helixtrans-67.2-43.7175.7-71.9174.2-175.800111.3R535 N541 S542 N543R535-E539 VanDerWaalsContact O-CB 3.28Å; R535-E539 WeakPolarHBondContact O-CB 3.47Å; R535-E539 VanDerWaalsContact O-CG 3.31Å; R535-E539 WeakPolarHBondContact O-CG 3.43Å; R535-E539 PolarHBondContact O-N 3.33Å; E539-N541 VanDerWaalsContact C-N 3.27Å; E539-N541 PolarHBondContact O-N 3.03Å; E539-S542 PolarHBondContact O-N 2.94Å; E539-S542 VanDerWaalsContact O-N 3.15Å; E539-S542 PolarHBondContact O-OG 3.47Å; E539-N543 PolarHBondContact O-N 2.9Å
540N45.2Very low40.8Very low74 Ų7491.7 Ų91.740%0.39645%0.445SS..Hα-helixtrans-62.8-35.1173.4-76.5-18.2000111.9C536 N543 H544C536-N540 WeakPolarHBondContact O-CB 3.49Å; C536-N540 PolarHBondContact O-N 3.45Å; C536-N540 PolarHBondContact O-ND2 3.01Å; N540-N543 PolarHBondContact O-N 3.04Å; N540-H544 WeakPolarHBondContact O-CB 3.16Å; N540-H544 PolarHBondContact O-CD2 3.12Å; N540-H544 PolarHBondContact O-N 2.84Å
541N38.2Very low39.4Very low67 Ų6795.9 Ų95.936%0.35848%0.475SS..Hα-helixtrans-70.5-29174.3-79.1-14.8000113.4Y537 L538 E539 N543 H544 H545Y537-N541 VanDerWaalsContact O-CB 3.27Å; Y537-N541 WeakPolarHBondContact O-CB 3.15Å; Y537-N541 VanDerWaalsContact O-CG 3.24Å; Y537-N541 PolarHBondContact O-N 3.12Å; Y537-N541 PolarHBondContact O-ND2 3.4Å; L538-N541 PolarHBondContact O-N 3.24Å; E539-N541 VanDerWaalsContact C-N 3.27Å; E539-N541 PolarHBondContact O-N 3.03Å; N541-N543 VanDerWaalsContact C-N 3.27Å; N541-N543 PolarHBondContact O-N 2.82Å; N541-H544 PolarHBondContact O-N 2.92Å; N541-H545 WeakPolarHBondContact O-CB 3.45Å; N541-H545 PolarHBondContact O-CD2 3.18Å; N541-H545 PolarHBondContact O-N 3.21Å
542S37Very low38.1Very low74 Ų74102.7 Ų102.752%0.51750%0.503SS..Hα-helixtrans-63.9-33.9170.170.90000112.4L538 E539L538-S542 PolarHBondContact O-N 3.43Å; E539-S542 PolarHBondContact O-N 2.94Å; E539-S542 VanDerWaalsContact O-N 3.15Å; E539-S542 PolarHBondContact O-OG 3.47Å
543N32.9Very low36.8Very low117 Ų117103.9 Ų103.963%0.62652%0.521SS*.Hα-helixtrans-80.8-29.8173.9-72.3-28.5000112.7E539 N540 N541E539-N543 PolarHBondContact O-N 2.9Å; N540-N543 PolarHBondContact O-N 3.04Å; N541-N543 VanDerWaalsContact C-N 3.27Å; N541-N543 PolarHBondContact O-N 2.82Å
544H28.5Very low35.5Very low91 Ų91107.8 Ų107.842%0.42155%0.551SS.*Hα-helixtrans-87.7-19.8-179.6-82.4-65.9000114.9N540 N541 N546 K547 L548N540-H544 WeakPolarHBondContact O-CB 3.16Å; N540-H544 PolarHBondContact O-CD2 3.12Å; N540-H544 PolarHBondContact O-N 2.84Å; N541-H544 PolarHBondContact O-N 2.92Å; H544-N546 PolarHBondContact O-N 2.89Å; H544-K547 CarbonylContact O-C 3.6Å; H544-K547 PolarHBondContact O-N 3.26Å; H544-L548 HydrophobicContact CB-CD1 4.32Å; H544-L548 WeakPolarHBondContact O-CB 3.35Å; H544-L548 PolarHBondContact O-N 3.49Å
545H27.3Very low34.2Very low144 Ų144112.4 Ų112.467%0.66758%0.581SS**THydrogen-bonded Turntrans-60.5-26.1172.1-94.5-62.8000112.3N541N541-H545 WeakPolarHBondContact O-CB 3.45Å; N541-H545 PolarHBondContact O-CD2 3.18Å; N541-H545 PolarHBondContact O-N 3.21Å
546N29Very low32.8Very low150 Ų150115.2 Ų115.280%0.80260%0.597SS**THydrogen-bonded Turntrans-82.9-13.8172.1-75.9-19.8000114.3H544H544-N546 PolarHBondContact O-N 2.89Å
547K26.7Very low31.4Very low145 Ų145122.7 Ų122.763%0.6363%0.634SS**THydrogen-bonded Turntrans-113.1-23.7-177.1-93.5-177.6176.31780115.1H544 M549 K550H544-K547 CarbonylContact O-C 3.6Å; H544-K547 PolarHBondContact O-N 3.26Å; K547-M549 PolarHBondContact O-N 3.42Å; K547-M549 VanDerWaalsContact O-N 3.16Å; K547-K550 CarbonylContact O-C 3.58Å; K547-K550 PolarHBondContact O-N 3.32Å
548L26.4Very low30.1Very low112 Ų112126.5 Ų126.559%0.58667%0.665SS**THydrogen-bonded Turntrans-72-7.4-176.5-125.3132.4000113.9H544H544-L548 HydrophobicContact CB-CD1 4.32Å; H544-L548 WeakPolarHBondContact O-CB 3.35Å; H544-L548 PolarHBondContact O-N 3.49Å
549M25.3Very low28.7Very low176 Ų176126.3 Ų126.387%0.86768%0.682SS**THydrogen-bonded Turntrans-83.7-6.1168.7-86.8-72.117000114.3K547K547-M549 PolarHBondContact O-N 3.42Å; K547-M549 VanDerWaalsContact O-N 3.16Å
550K26.4Very low27.5Very low191 Ų191129.2 Ų129.283%0.8369%0.693SS**SBendtrans-147.874.9178.8-70.3-174.7-180176.20111.9K547K547-K550 CarbonylContact O-C 3.58Å; K547-K550 PolarHBondContact O-N 3.32Å
551S23Very low26.5Very low94 Ų94134.4 Ų134.466%0.65772%0.715SS**  trans172.588.2147.637.90000111.3
552F22Very low25.8Very low192 Ų192138.7 Ų138.784%0.84273%0.732SS**  trans-109.8110.2146.3-77.7-83.4000105.9
553P24.6Very low25.3Very low106 Ų106142.5 Ų142.569%0.68874%0.742SS**  -138.9126.9125.529.3-12.2000112.6
554S23.8Very low25.3Very low99 Ų99141 Ų14169%0.69274%0.738SS**  trans21126.1138.358.50000119
555T22.8Very low25.2Very low130 Ų130142.9 Ų142.980%0.79875%0.746SS**  173.9137.110830.70000113.7
556K22Very low25Very low197 Ų197143.2 Ų143.286%0.85775%0.751SS**  trans62.687.7155.3-64.7-177.9179.2-177.90118.7S558K556-S558 PolarHBondContact O-N 3.28Å
557L23.7Very low24.9Very low187 Ų187144.9 Ų144.998%0.97976%0.759SS**  trans-66100150.2-88.783000109.1
558S24Very low24.7Very low112 Ų112141.5 Ų141.578%0.78375%0.754SS**  trans-96.1128.6153.9590000108.1K556K556-S558 PolarHBondContact O-N 3.28Å
559G24.3Very low24.5Very low74 Ų74145.2 Ų145.276%0.76376%0.762SS**  trans-60.4149-168.200000115.8
560K23.7Very low24.4Very low182 Ų182144.5 Ų144.579%0.79176%0.761SS**  trans-174.995.4137.1-98169.4-172.8-172.50106.5H562K560-H562 PolarHBondContact O-N 2.89Å
561Q25.4Very low24.2Very low183 Ų183140.3 Ų140.386%0.85575%0.747SS**  trans-70.2105.3169.7-76.8174.3-24.500107.5
562H23.9Very low24.3Very low156 Ų156145.5 Ų145.572%0.72275%0.754SS**  trans-93109.6171.1-77.4-79.2000108.1K560K560-H562 PolarHBondContact O-N 2.89Å
563H25.7Very low24.3Very low155 Ų155142.6 Ų142.672%0.71874%0.742SS**  trans-105.6124.2173-81.3-61000109.7
564P33Very low24.1Very low86 Ų86143.1 Ų143.156%0.55875%0.747SS**  trans-93.31.1-175.61.217000115.8E139E139-P564 WeakPolarHBondContact OE1-CD 3.43Å; E139-P564 WeakPolarHBondContact OE1-CG 3.48Å
565F25.6Very low24.1Very low130 Ų130144.3 Ų144.357%0.5775%0.746SS**  trans-10311.5-169.8-70.4-72000116.4I143I143-F565 HydrophobicContact CD1-CZ 4.37Å
566L24.3Very low24.2Very low150 Ų150145.3 Ų145.379%0.78575%0.746SS**  trans-109.8109.1168.2-83.9167000111.1S568L566-S568 PolarHBondContact O-N 2.9Å
567L25.8Very low24.3Very low185 Ų185144.8 Ų144.897%0.96975%0.747SS**  trans-74.563.4166.1-144116.1000109.1
568S22.7Very low24.4Very low75 Ų75141.6 Ų141.652%0.52474%0.741SS.*  trans-168.886.616758.20000107.4L566L566-S568 PolarHBondContact O-N 2.9Å
569Y22.3Very low24.5Very low190 Ų190139.9 Ų139.975%0.74573%0.733SS**  trans178.387.6131-109.3-83.3000108.6D571Y569-D571 HydrophobicContact CD1-CB 3.81Å; Y569-D571 WeakPolarHBondContact CD1-OD1 3.22Å; Y569-D571 WeakPolarHBondContact CD1-OD2 3.46Å; Y569-D571 HydrophobicContact CE1-CB 4.42Å; Y569-D571 VanDerWaalsContact CE1-OD1 3.23Å; Y569-D571 WeakPolarHBondContact CE1-OD1 3.45Å; Y569-D571 WeakPolarHBondContact CE1-OD2 3.3Å; Y569-D571 PolarHBondContact O-N 2.87Å
570L22.9Very low24.4Very low161 Ų161145.5 Ų145.584%0.84374%0.739SS**  trans-63.383.5143.9-78.6161000106.2
571D22.2Very low24.4Very low103 Ų103146.4 Ų146.455%0.55174%0.744SS**  trans-100.996.7158.6-99-6.2000108Y569 H573Y569-D571 HydrophobicContact CD1-CB 3.81Å; Y569-D571 WeakPolarHBondContact CD1-OD1 3.22Å; Y569-D571 WeakPolarHBondContact CD1-OD2 3.46Å; Y569-D571 HydrophobicContact CE1-CB 4.42Å; Y569-D571 VanDerWaalsContact CE1-OD1 3.23Å; Y569-D571 WeakPolarHBondContact CE1-OD1 3.45Å; Y569-D571 WeakPolarHBondContact CE1-OD2 3.3Å; Y569-D571 PolarHBondContact O-N 2.87Å; D571-H573 VanDerWaalsContact C-N 3.27Å; D571-H573 PolarHBondContact O-N 3.33Å
572Y25.1Very low24.5Very low202 Ų202142.9 Ų142.979%0.79274%0.739SS**  trans-53.197.3147.3-91.4-95.2000108
573H21.9Very low24.5Very low131 Ų131142.7 Ų142.761%0.60674%0.744SS**  trans-132.189.4156.9-88.5-75.4000109.1D571 D575D571-H573 VanDerWaalsContact C-N 3.27Å; D571-H573 PolarHBondContact O-N 3.33Å; H573-D575 IonicContact ND1-OD1 3.78Å; H573-D575 PolarHBondContact ND1-OD1 2.85Å; H573-D575 IonicContact ND1-OD2 3.51Å; H573-D575 PolarHBondContact O-N 2.69Å
574C21.6Very low24.6Very low117 Ų117141.4 Ų141.479%0.79175%0.746SS**  trans-6676.7151.9-73.30000108.6N576C574-N576 PolarHBondContact O-N 2.81Å
575D22.9Very low24.3Very low125 Ų125143.1 Ų143.167%0.66876%0.755SS**  trans-96.583166-68.5-9.4000108.1H573 E577H573-D575 IonicContact ND1-OD1 3.78Å; H573-D575 PolarHBondContact ND1-OD1 2.85Å; H573-D575 IonicContact ND1-OD2 3.51Å; H573-D575 PolarHBondContact O-N 2.69Å; D575-E577 PolarHBondContact O-N 3.25Å
576N24.7Very low24.3Very low150 Ų150144.1 Ų144.180%0.80277%0.767SS**  trans-62.487.3153.9-84.2-26.9000108.5C574C574-N576 PolarHBondContact O-N 2.81Å
577E25.5Very low24.4Very low186 Ų186146.1 Ų146.187%0.86977%0.769SS**  trans-140.661.2160.7-73.8-161.9166.800110.9D575D575-E577 PolarHBondContact O-N 3.25Å
578S24.8Very low24.3Very low121 Ų121145.2 Ų145.285%0.84676%0.76SS**SBendtrans-172.259.3145.665.60000110.2
579A25.6Very low24.6Very low75 Ų75148.1 Ų148.162%0.6277%0.769SS**  trans-124.383.9158.300000106.2F581A579-F581 PolarHBondContact O-N 3.09Å
580E23.9Very low24.7Very low193 Ų193148.5 Ų148.590%0.90278%0.775SS**  trans-51.9114162.1-76.1179.1156.200107.6S582E580-S582 PolarHBondContact O-N 3.2Å
581F22.7Very low24.9Very low200 Ų200149.5 Ų149.588%0.87777%0.772SS**  trans-58.798170.4-86-100.3000108.7A579A579-F581 PolarHBondContact O-N 3.09Å
582S27.2Very low25.3Very low110 Ų110155 Ų15577%0.76979%0.787SS**  trans-87.1106.1154.662.90000108E580 V584E580-S582 PolarHBondContact O-N 3.2Å; S582-V584 PolarHBondContact O-N 2.81Å; S582-V584 VanDerWaalsContact O-N 3.16Å
583D24.5Very low25.4Very low151 Ų151152.1 Ų152.181%0.80778%0.784SS**  trans-28.9106.3170.7-75.5-45.8000114.6
584V28Very low26Very low128 Ų128153.1 Ų153.178%0.77679%0.793SS**  trans-13896.1144-174.20000108.2S582 N586S582-V584 PolarHBondContact O-N 2.81Å; S582-V584 VanDerWaalsContact O-N 3.16Å; V584-N586 PolarHBondContact O-N 3.42Å
585T26Very low26.9Very low122 Ų122152.4 Ų152.475%0.74879%0.789SS**  trans-41.799.6154.148.20000110.9
586N26.3Very low27.9Very low152 Ų152151.7 Ų151.781%0.81379%0.785SS**  trans-170.4108.1137.6-93.4-24.9000109.1V584V584-N586 PolarHBondContact O-N 3.42Å
587K25.3Very low28.6Very low192 Ų192151.4 Ų151.484%0.83578%0.777SS**  trans-54.2142.2160.8-72.8172.9173.9176.60108.4
588H25.3Very low29.9Very low166 Ų166146.9 Ų146.977%0.76976%0.757SS**SBendtrans97.8116.9177-58-71.9000116.1
589D28.7Very low30.9Very low136 Ų136147.8 Ų147.873%0.72775%0.749SS**  trans75.671.7155-55.8-22.4000119.1
590K24.5Very low32.1Very low198 Ų198145.2 Ų145.286%0.86173%0.727SS**  trans-12457.3137.7-70.2-174.1-177.1173.40110.5Y592K590-Y592 PolarHBondContact O-N 3.23Å; K590-Y592 VanDerWaalsContact O-N 3.08Å
591K26.3Very low33.3Very low182 Ų182140.6 Ų140.679%0.79170%0.701SS**  trans-55.4108.7150.7-140.3175.9-171.5177.80104.7I593K591-I593 VanDerWaalsContact C-N 3.32Å; K591-I593 PolarHBondContact O-N 3.36Å
592Y30.6Very low34.4Very low219 Ų219134.1 Ų134.186%0.85968%0.675SS**  trans-54.3107.4167-80.7-95.6000105.8K590 L594K590-Y592 PolarHBondContact O-N 3.23Å; K590-Y592 VanDerWaalsContact O-N 3.08Å; Y592-L594 PolarHBondContact O-N 2.83Å
593I26.7Very low35.2Very low140 Ų140131.5 Ų131.572%0.71866%0.657SS**  trans-64.487.3173.8-60.7170.3000104.1K591 S595K591-I593 VanDerWaalsContact C-N 3.32Å; K591-I593 PolarHBondContact O-N 3.36Å; I593-S595 PolarHBondContact O-N 3.28Å
594L36.1Very low35.9Very low153 Ų153130.4 Ų130.480%0.80166%0.661SS**  trans-41.6111.7153.1-90.5137.3000104.2Y592 D596Y592-L594 PolarHBondContact O-N 2.83Å; L594-D596 PolarHBondContact O-N 3.48Å
595S38.6Very low36.1Very low101 Ų101124.9 Ų124.971%0.70663%0.63SS**  trans-48.4108-175.245.80000109I593 K597I593-S595 PolarHBondContact O-N 3.28Å; S595-K597 PolarHBondContact O-N 3.03Å
596D44Very low36.7Very low110 Ų110123.1 Ų123.159%0.58862%0.616SS**SBendtrans-64.316.1-172.3-82.3-36.4000114.2L594 N621 I622L594-D596 PolarHBondContact O-N 3.48Å; D596-N621 WeakPolarHBondContact O-CA 3.26Å; D596-I622 PolarHBondContact O-N 3.46Å
597K41.2Very low37.5Very low145 Ų145119 Ų11963%0.6359%0.592SS**EExtended strand (participates in β ladder)trans-123.7112.8-173.2-63.9-175.9-178.1179.60110.5S595 P619 L620S595-K597 PolarHBondContact O-N 3.03Å; K597-P619 HydrophobicContact CB-CB 4.43Å; K597-L620 CarbonylContact C-O 3.48Å; K597-L620 VanDerWaalsContact CA-O 3.29Å; K597-L620 WeakPolarHBondContact CA-O 3.47Å
598I52.2Low38.2Very low90 Ų90116.5 Ų116.546%0.46259%0.587SS.*EExtended strand (participates in β ladder)trans-94.7130.5174.2-60.4171.5000107.8A600 L620 I622I598-A600 PolarHBondContact O-N 3.07Å; I598-L620 PolarHBondContact N-O 3.19Å; I598-L620 PolarHBondContact O-N 2.9Å; I598-I622 HydrophobicContact CD1-CD1 4.25Å
599Q44.6Very low38.8Very low141 Ų141113.9 Ų113.966%0.65957%0.574SS**EExtended strand (participates in β ladder)trans-73.8118174.1-67.8-177.1-4.200110.2
600A50.6Low39.3Very low20 Ų20111 Ų11117%0.16556%0.558CS.*EExtended strand (participates in β ladder)trans-126.5143.7177.400000110.5I598 I602 C618 L620 L628I598-A600 PolarHBondContact O-N 3.07Å; A600-I602 PolarHBondContact O-N 2.92Å; A600-C618 PolarHBondContact N-O 3.38Å; A600-C618 PolarHBondContact O-N 2.96Å; A600-L620 HydrophobicContact CB-CD1 3.58Å; A600-L620 HydrophobicContact CB-CG 4Å; A600-L628 HydrophobicContact CB-CD2 4.25Å
601W49.5Very low40.3Very low96 Ų96106.4 Ų106.436%0.36455%0.549SS..EExtended strand (participates in β ladder)trans-78.2117.6171.6-69.387.3000108.5R615 Q616 L617W601-R615 HydrophobicContact CD2-CB 4.35Å; W601-R615 HydrophobicContact CE3-CB 3.45Å; W601-R615 VanDerWaalsContact CE3-CB 3.45Å; W601-R615 HydrophobicContact CE3-CG 4.45Å; W601-R615 HydrophobicContact CZ3-CB 3.66Å; W601-Q616 VanDerWaalsContact CE3-C 3.44Å; W601-L617 HydrophobicContact CD2-CB 4.35Å; W601-L617 HydrophobicContact CD2-CD1 3.64Å; W601-L617 HydrophobicContact CE3-CB 4.01Å; W601-L617 HydrophobicContact CE3-CD1 4.16Å; W601-L617 HydrophobicContact CG-CD1 4.06Å; W601-L617 HydrophobicContact CH2-CB 4.03Å; W601-L617 HydrophobicContact CH2-CD1 4.12Å; W601-L617 HydrophobicContact CZ2-CB 4.3Å; W601-L617 HydrophobicContact CZ2-CD1 3.52Å; W601-L617 HydrophobicContact CZ2-CG 4.48Å; W601-L617 HydrophobicContact CZ3-CB 3.86Å; W601-L617 HydrophobicContact CZ3-CD1 4.4Å; W601-L617 VanDerWaalsContact NE1-CD1 3.26Å
602I46.7Very low41.3Very low65 Ų65104.9 Ų104.933%0.33355%0.548SS..EExtended strand (participates in β ladder)trans-92.4117.616756.5173.3000107.2A600 Q616 C618 L620A600-I602 PolarHBondContact O-N 2.92Å; I602-Q616 PolarHBondContact N-O 3.24Å; I602-Q616 VanDerWaalsContact N-O 3.15Å; I602-C618 HydrophobicContact CD1-CB 3.69Å; I602-C618 HydrophobicContact CG1-CB 3.74Å; I602-C618 HydrophobicContact CG2-CB 4.34Å; I602-L620 HydrophobicContact CG2-CD1 4.22Å; I602-L620 HydrophobicContact CG2-CD2 4.32Å
603S42.7Very low42Very low55 Ų5595 Ų9539%0.38551%0.513SS..EExtended strand (participates in β ladder)trans-101.9119.8172.862.50000108G605S603-G605 VanDerWaalsContact CB-O 3.28Å; S603-G605 WeakPolarHBondContact CB-O 3.15Å; S603-G605 PolarHBondContact O-N 3.06Å; S603-G605 PolarHBondContact OG-O 3.38Å
604S40.1Very low42.9Very low127 Ų12796.7 Ų96.789%0.88852%0.518SS*.SBendtrans-69.3-2.616549.40000112.7
605G31.7Very low43.3Very low13 Ų1395.6 Ų95.613%0.13450%0.503CS..SBendtrans-147.5122.7169.500000110.6S603 Q607S603-G605 VanDerWaalsContact CB-O 3.28Å; S603-G605 WeakPolarHBondContact CB-O 3.15Å; S603-G605 PolarHBondContact O-N 3.06Å; S603-G605 PolarHBondContact OG-O 3.38Å; G605-Q607 PolarHBondContact O-N 3Å
606N39.6Very low43.7Very low84 Ų8497.5 Ų97.545%0.44950%0.501SS..  trans-63.5112.9178.8-160.7-2000109.2L608 F609 D610N606-L608 PolarHBondContact O-N 3.31Å; N606-L608 VanDerWaalsContact O-N 3.07Å; N606-F609 PolarHBondContact O-N 2.78Å; N606-D610 PolarHBondContact O-N 3.31Å
607Q43.1Very low43.7Very low66 Ų6695.9 Ų95.931%0.30849%0.491SS..THydrogen-bonded Turntrans-67.1-10.3-172.3-77.5-172.2-14.600115.3G605 F609 D610 G613G605-Q607 PolarHBondContact O-N 3Å; Q607-F609 PolarHBondContact O-N 3.46Å; Q607-D610 WeakPolarHBondContact CA-O 3.48Å; Q607-G613 PolarHBondContact NE2-O 3.44Å; Q607-G613 VanDerWaalsContact NE2-O 3.09Å
608L40.4Very low44.2Very low140 Ų14090.7 Ų90.773%0.73347%0.473SS*.THydrogen-bonded Turntrans-63.5-25.2166.7-152.386.9000111.7N606N606-L608 PolarHBondContact O-N 3.31Å; N606-L608 VanDerWaalsContact O-N 3.07Å
609F37.2Very low44.6Very low110 Ų11090 Ų9048%0.48247%0.474SS..THydrogen-bonded Turntrans-122.4-21.6-178.5-61.3-68.6000114N606 Q607 F643N606-F609 PolarHBondContact O-N 2.78Å; Q607-F609 PolarHBondContact O-N 3.46Å; F609-F643 HydrophobicContact CE1-CD2 4.34Å; F609-F643 AromaticContact CE1-CE2 3.51Å; F609-F643 HydrophobicContact CE1-CE2 3.51Å; F609-F643 AromaticContact CE1-CZ 3.81Å; F609-F643 HydrophobicContact CE1-CZ 3.81Å; F609-F643 HydrophobicContact CZ-CD2 4.13Å; F609-F643 AromaticContact CZ-CE2 3.53Å; F609-F643 HydrophobicContact CZ-CE2 3.53Å; F609-F643 HydrophobicContact CZ-CZ 4.29Å
610D38.7Very low45.2Very low76 Ų7683.9 Ų83.941%0.40645%0.446SS..  trans-132.286.8174.7-170.40.6000111.3N606 Q607 L612 G613N606-D610 PolarHBondContact O-N 3.31Å; Q607-D610 WeakPolarHBondContact CA-O 3.48Å; D610-L612 PolarHBondContact O-N 3.26Å; D610-L612 VanDerWaalsContact O-N 3.08Å; D610-L612 PolarHBondContact OD1-N 3.15Å; D610-G613 PolarHBondContact O-N 3.08Å
611P45.4Very low46Very low101 Ų10185.7 Ų85.766%0.65645%0.453SS*.THydrogen-bonded Turntrans-59.7-20.7-175.8-2131.2000114
612L48.7Very low46.9Very low150 Ų15085.2 Ų85.279%0.78546%0.457SS*.THydrogen-bonded Turntrans-92.5-4.4-174.7-61.4176.4000113.1D610 H614D610-L612 PolarHBondContact O-N 3.26Å; D610-L612 VanDerWaalsContact O-N 3.08Å; D610-L612 PolarHBondContact OD1-N 3.15Å; L612-H614 PolarHBondContact O-N 3.26Å; L612-H614 VanDerWaalsContact O-N 3.14Å
613G45.4Very low48.2Very low12 Ų1287.1 Ų87.112%0.12447%0.468CS..PPolyproline II helixtrans-59.5116.9179.900000112.2Q607 D610 R615Q607-G613 PolarHBondContact NE2-O 3.44Å; Q607-G613 VanDerWaalsContact NE2-O 3.09Å; D610-G613 PolarHBondContact O-N 3.08Å; G613-R615 PolarHBondContact O-N 2.88Å
614H45.5Very low49.6Very low175 Ų17589 Ų8981%0.8147%0.47SS*.PPolyproline II helixtrans-60.1120.8174-68.7-59.1000110.2L612L612-H614 PolarHBondContact O-N 3.26Å; L612-H614 VanDerWaalsContact O-N 3.14Å
615R44.4Very low50.8Low130 Ų13083.7 Ų83.749%0.49143%0.433SS..EExtended strand (participates in β ladder)trans-85.7130.6175.2-63.4-171.3179.1-151.50.4109.9W601 G613W601-R615 HydrophobicContact CD2-CB 4.35Å; W601-R615 HydrophobicContact CE3-CB 3.45Å; W601-R615 VanDerWaalsContact CE3-CB 3.45Å; W601-R615 HydrophobicContact CE3-CG 4.45Å; W601-R615 HydrophobicContact CZ3-CB 3.66Å; G613-R615 PolarHBondContact O-N 2.88Å
616Q47.3Very low52.6Low142 Ų14286.1 Ų86.166%0.66444%0.443SS*.EExtended strand (participates in β ladder)trans-112129.4166.9-164.5173.211.200109.5W601 I602 C618W601-Q616 VanDerWaalsContact CE3-C 3.44Å; I602-Q616 PolarHBondContact N-O 3.24Å; I602-Q616 VanDerWaalsContact N-O 3.15Å; Q616-C618 PolarHBondContact O-N 3.05Å
617L42.9Very low54.2Low75 Ų7587.2 Ų87.239%0.39345%0.448SS..EExtended strand (participates in β ladder)trans-75.5119.3172.1-16586000107.4W601W601-L617 HydrophobicContact CD2-CB 4.35Å; W601-L617 HydrophobicContact CD2-CD1 3.64Å; W601-L617 HydrophobicContact CE3-CB 4.01Å; W601-L617 HydrophobicContact CE3-CD1 4.16Å; W601-L617 HydrophobicContact CG-CD1 4.06Å; W601-L617 HydrophobicContact CH2-CB 4.03Å; W601-L617 HydrophobicContact CH2-CD1 4.12Å; W601-L617 HydrophobicContact CZ2-CB 4.3Å; W601-L617 HydrophobicContact CZ2-CD1 3.52Å; W601-L617 HydrophobicContact CZ2-CG 4.48Å; W601-L617 HydrophobicContact CZ3-CB 3.86Å; W601-L617 HydrophobicContact CZ3-CD1 4.4Å; W601-L617 VanDerWaalsContact NE1-CD1 3.26Å
618C52.7Low55.6Low37 Ų3786.9 Ų86.925%0.2545%0.449CS..EExtended strand (participates in β ladder)trans-124.2127.8179.5-168.10000110.4A600 I602 Q616 L620A600-C618 PolarHBondContact N-O 3.38Å; A600-C618 PolarHBondContact O-N 2.96Å; I602-C618 HydrophobicContact CD1-CB 3.69Å; I602-C618 HydrophobicContact CG1-CB 3.74Å; I602-C618 HydrophobicContact CG2-CB 4.34Å; Q616-C618 PolarHBondContact O-N 3.05Å; C618-L620 HydrophobicContact CB-CD2 4.48Å; C618-L620 PolarHBondContact O-N 3.35Å
619P59.1Low56.9Low74 Ų7486 Ų8648%0.48144%0.442SS..EExtended strand (participates in β ladder)trans-70.4114.3169.528-31000109.8K597K597-P619 HydrophobicContact CB-CB 4.43Å
620L58.4Low58.7Low14 Ų1487 Ų877%0.07345%0.446CS..EExtended strand (participates in β ladder)trans-103.1140.3177.9-62-176.1000110.4K597 I598 A600 I602 C618 Q624 L628K597-L620 CarbonylContact C-O 3.48Å; K597-L620 VanDerWaalsContact CA-O 3.29Å; K597-L620 WeakPolarHBondContact CA-O 3.47Å; I598-L620 PolarHBondContact N-O 3.19Å; I598-L620 PolarHBondContact O-N 2.9Å; A600-L620 HydrophobicContact CB-CD1 3.58Å; A600-L620 HydrophobicContact CB-CG 4Å; I602-L620 HydrophobicContact CG2-CD1 4.22Å; I602-L620 HydrophobicContact CG2-CD2 4.32Å; C618-L620 HydrophobicContact CB-CD2 4.48Å; C618-L620 PolarHBondContact O-N 3.35Å; L620-Q624 HydrophobicContact CB-CB 3.92Å; L620-Q624 HydrophobicContact CD2-CB 4.13Å; L620-Q624 HydrophobicContact CG-CB 4.43Å; L620-L628 HydrophobicContact CD1-CB 4.34Å; L620-L628 HydrophobicContact CD1-CD2 3.7Å
621N66.6Low60.4Low57 Ų5786.2 Ų86.231%0.30545%0.447SS..EExtended strand (participates in β ladder)trans-73.1167.2168.569.235.7000112.1D596 N623 Q624 S625D596-N621 WeakPolarHBondContact O-CA 3.26Å; N621-N623 VanDerWaalsContact C-N 3.26Å; N621-N623 PolarHBondContact O-N 3.19Å; N621-N623 PolarHBondContact OD1-N 3.27Å; N621-Q624 PolarHBondContact O-N 3.43Å; N621-Q624 VanDerWaalsContact O-N 3.09Å; N621-Q624 WeakPolarHBondContact OD1-CB 3.45Å; N621-Q624 VanDerWaalsContact OD1-CG 3.27Å; N621-Q624 WeakPolarHBondContact OD1-CG 3.05Å; N621-Q624 PolarHBondContact OD1-N 2.89Å; N621-S625 PolarHBondContact O-N 3.45Å
622I69Low61.5Low86 Ų8685.5 Ų85.544%0.44144%0.44SS..Hα-helixtrans-51.5-44.5-177.9-158.189.7000112.1D596 I598 S625 I626D596-I622 PolarHBondContact O-N 3.46Å; I598-I622 HydrophobicContact CD1-CD1 4.25Å; I622-S625 PolarHBondContact O-N 3.22Å; I622-S625 PolarHBondContact O-OG 2.92Å; I622-I626 HydrophobicContact CG1-CD1 4.28Å; I622-I626 WeakPolarHBondContact O-CG1 3.21Å; I622-I626 PolarHBondContact O-N 3.43Å
623N73.7Confident62.4Low106 Ų10682.9 Ų82.957%0.56742%0.424SS*.Hα-helixtrans-67.2-41.4-179.6-69.1-28.2000112.2N621 S625 I626 N627N621-N623 VanDerWaalsContact C-N 3.26Å; N621-N623 PolarHBondContact O-N 3.19Å; N621-N623 PolarHBondContact OD1-N 3.27Å; N623-S625 VanDerWaalsContact C-N 3.33Å; N623-I626 PolarHBondContact O-N 3.19Å; N623-N627 WeakPolarHBondContact O-CB 3.47Å; N623-N627 VanDerWaalsContact O-CG 3.27Å; N623-N627 PolarHBondContact O-N 3.06Å; N623-N627 PolarHBondContact O-ND2 3.14Å
624Q72.6Confident63.7Low93 Ų9384.3 Ų84.344%0.43543%0.434SS..Hα-helixtrans-64.5-38.1174.5-73.8170.6-23.400111.5L620 N621 N627 L628L620-Q624 HydrophobicContact CB-CB 3.92Å; L620-Q624 HydrophobicContact CD2-CB 4.13Å; L620-Q624 HydrophobicContact CG-CB 4.43Å; N621-Q624 PolarHBondContact O-N 3.43Å; N621-Q624 VanDerWaalsContact O-N 3.09Å; N621-Q624 WeakPolarHBondContact OD1-CB 3.45Å; N621-Q624 VanDerWaalsContact OD1-CG 3.27Å; N621-Q624 WeakPolarHBondContact OD1-CG 3.05Å; N621-Q624 PolarHBondContact OD1-N 2.89Å; Q624-N627 PolarHBondContact O-N 2.75Å; Q624-L628 WeakPolarHBondContact O-CB 3.2Å; Q624-L628 PolarHBondContact O-N 2.96Å
625S64.3Low64.8Low16 Ų1679.4 Ų79.411%0.11241%0.414CS..Hα-helixtrans-65.9-43.3176.579.80000111.8N621 I622 N623 L628 M629N621-S625 PolarHBondContact O-N 3.45Å; I622-S625 PolarHBondContact O-N 3.22Å; I622-S625 PolarHBondContact O-OG 2.92Å; N623-S625 VanDerWaalsContact C-N 3.33Å; S625-L628 PolarHBondContact O-N 2.99Å; S625-M629 WeakPolarHBondContact O-CG 3.18Å; S625-M629 PolarHBondContact O-N 3.42Å
626I70.3Confident65.9Low65 Ų6577.6 Ų77.633%0.33341%0.408SS..Hα-helixtrans-64-44.1176.2-68.1167.3000110.3I622 N623 L628 M629 K630I622-I626 HydrophobicContact CG1-CD1 4.28Å; I622-I626 WeakPolarHBondContact O-CG1 3.21Å; I622-I626 PolarHBondContact O-N 3.43Å; N623-I626 PolarHBondContact O-N 3.19Å; I626-L628 PolarHBondContact O-N 3.49Å; I626-M629 HydrophobicContact CG1-CE 4.2Å; I626-M629 PolarHBondContact O-N 3.25Å; I626-K630 HydrophobicContact CG2-CD 4.24Å; I626-K630 WeakPolarHBondContact O-CG 3.29Å; I626-K630 PolarHBondContact O-N 3.18Å
627N73.2Confident67Low106 Ų10674.6 Ų74.657%0.56739%0.394SS*.Hα-helixtrans-63.9-39.3177-73.8-17.8000112.3N623 Q624 K630 S631N623-N627 WeakPolarHBondContact O-CB 3.47Å; N623-N627 VanDerWaalsContact O-CG 3.27Å; N623-N627 PolarHBondContact O-N 3.06Å; N623-N627 PolarHBondContact O-ND2 3.14Å; Q624-N627 PolarHBondContact O-N 2.75Å; N627-K630 PolarHBondContact O-N 3.12Å; N627-S631 WeakPolarHBondContact O-CB 3.32Å; N627-S631 PolarHBondContact O-N 3.1Å
628L72.9Confident68.5Low60 Ų6078 Ų7831%0.31441%0.406SS..Hα-helixtrans-62.3-47.7174.1-178.268.3000111A600 L620 Q624 S625 I626 K630 S631 V632A600-L628 HydrophobicContact CB-CD2 4.25Å; L620-L628 HydrophobicContact CD1-CB 4.34Å; L620-L628 HydrophobicContact CD1-CD2 3.7Å; Q624-L628 WeakPolarHBondContact O-CB 3.2Å; Q624-L628 PolarHBondContact O-N 2.96Å; S625-L628 PolarHBondContact O-N 2.99Å; I626-L628 PolarHBondContact O-N 3.49Å; L628-K630 PolarHBondContact O-N 2.75Å; L628-S631 WeakPolarHBondContact O-CB 3.14Å; L628-S631 PolarHBondContact O-N 3.25Å; L628-V632 HydrophobicContact CD1-CG2 4.47Å; L628-V632 HydrophobicContact CG-CG2 4.48Å; L628-V632 WeakPolarHBondContact O-CG2 3.27Å; L628-V632 PolarHBondContact O-N 2.83Å
629M67.7Low69.4Low120 Ų12077.4 Ų77.459%0.59140%0.402SS*.Hα-helixtrans-60.3-44.8178.1-72.9-171.1-62.900111.9S625 I626 S631 V632 Q633S625-M629 WeakPolarHBondContact O-CG 3.18Å; S625-M629 PolarHBondContact O-N 3.42Å; I626-M629 HydrophobicContact CG1-CE 4.2Å; I626-M629 PolarHBondContact O-N 3.25Å; M629-S631 VanDerWaalsContact C-N 3.32Å; M629-S631 PolarHBondContact O-N 3.41Å; M629-V632 PolarHBondContact O-N 2.66Å; M629-Q633 WeakPolarHBondContact O-CB 3.27Å; M629-Q633 PolarHBondContact O-N 3.33Å
630K75Confident69.9Low131 Ų13177.1 Ų77.157%0.5739%0.391SS*.Hα-helixtrans-59.5-41.5175.3-74179.3178.1-178.80112.1I626 N627 L628 A634I626-K630 HydrophobicContact CG2-CD 4.24Å; I626-K630 WeakPolarHBondContact O-CG 3.29Å; I626-K630 PolarHBondContact O-N 3.18Å; N627-K630 PolarHBondContact O-N 3.12Å; L628-K630 PolarHBondContact O-N 2.75Å; K630-A634 WeakPolarHBondContact O-CB 3.31Å; K630-A634 PolarHBondContact O-N 3.31Å
631S72.5Confident70.7Confident61 Ų6182.5 Ų82.543%0.42742%0.419SS..Hα-helixtrans-65.9-43.1176.7-176.60000112.5N627 L628 M629 A634 N635N627-S631 WeakPolarHBondContact O-CB 3.32Å; N627-S631 PolarHBondContact O-N 3.1Å; L628-S631 WeakPolarHBondContact O-CB 3.14Å; L628-S631 PolarHBondContact O-N 3.25Å; M629-S631 VanDerWaalsContact C-N 3.32Å; M629-S631 PolarHBondContact O-N 3.41Å; S631-A634 PolarHBondContact O-N 3.25Å; S631-N635 WeakPolarHBondContact O-CB 3.28Å; S631-N635 PolarHBondContact O-N 3.34Å; S631-N635 PolarHBondContact O-ND2 3.27Å
632V68.6Low70.9Confident85 Ų8587.6 Ų87.652%0.51544%0.438SS..Hα-helixtrans-63.9-43.6176.5172.30000111L628 M629 N635 Y636L628-V632 HydrophobicContact CD1-CG2 4.47Å; L628-V632 HydrophobicContact CG-CG2 4.48Å; L628-V632 WeakPolarHBondContact O-CG2 3.27Å; L628-V632 PolarHBondContact O-N 2.83Å; M629-V632 PolarHBondContact O-N 2.66Å; V632-N635 PolarHBondContact O-N 3.43Å; V632-Y636 WeakPolarHBondContact O-CB 3.22Å; V632-Y636 PolarHBondContact O-N 3.25Å
633Q68.3Low70.9Confident96 Ų9688.2 Ų88.245%0.44944%0.438SS..Hα-helixtrans-61.2-46.5176.5-172.4175.81.900111.4M629 N635 Y636 E637M629-Q633 WeakPolarHBondContact O-CB 3.27Å; M629-Q633 PolarHBondContact O-N 3.33Å; Q633-N635 PolarHBondContact O-N 3.43Å; Q633-Y636 PolarHBondContact O-N 3.01Å; Q633-E637 PolarHBondContact O-N 3.28Å
634A72.9Confident70.8Confident41 Ų4192.6 Ų92.634%0.33945%0.452SS..Hα-helixtrans-63.4-39.1176.700000112.8K630 S631 E637 K638K630-A634 WeakPolarHBondContact O-CB 3.31Å; K630-A634 PolarHBondContact O-N 3.31Å; S631-A634 PolarHBondContact O-N 3.25Å; A634-E637 PolarHBondContact O-N 2.88Å; A634-K638 WeakPolarHBondContact O-CG 3.37Å; A634-K638 PolarHBondContact O-N 2.94Å
635N69.2Low70.6Confident73 Ų7391.7 Ų91.739%0.3945%0.45SS..Hα-helixtrans-68.4-37.5175.9-78-23000112.4S631 V632 Q633 S639S631-N635 WeakPolarHBondContact O-CB 3.28Å; S631-N635 PolarHBondContact O-N 3.34Å; S631-N635 PolarHBondContact O-ND2 3.27Å; V632-N635 PolarHBondContact O-N 3.43Å; Q633-N635 PolarHBondContact O-N 3.43Å; N635-S639 WeakPolarHBondContact O-CB 3.37Å; N635-S639 PolarHBondContact O-N 3.33Å; N635-S639 PolarHBondContact O-OG 2.62Å
636Y67.6Low70.1Confident92 Ų9295.4 Ų95.436%0.36147%0.474SS..Hα-helixtrans-65.3-43.9173.3-177.7-99.1000110.9V632 Q633 S639 R640 Y648V632-Y636 WeakPolarHBondContact O-CB 3.22Å; V632-Y636 PolarHBondContact O-N 3.25Å; Q633-Y636 PolarHBondContact O-N 3.01Å; Y636-S639 CarbonylContact O-C 3.54Å; Y636-S639 PolarHBondContact O-N 2.79Å; Y636-R640 HydrophobicContact CE1-CB 4.46Å; Y636-R640 VanDerWaalsContact O-CB 3.25Å; Y636-R640 WeakPolarHBondContact O-CB 3.44Å; Y636-R640 PolarHBondContact O-N 2.79Å; Y636-Y648 HydrophobicContact CD1-CE2 4.31Å; Y636-Y648 AromaticContact CD1-CZ 4Å; Y636-Y648 HydrophobicContact CE1-CE2 4.36Å
637E69.9Low69.4Low78 Ų7896.9 Ų96.936%0.36449%0.488SS..Hα-helixtrans-61.4-45.5175.8-78.3178.8174.200112.6Q633 A634 S639 R640 I641Q633-E637 PolarHBondContact O-N 3.28Å; A634-E637 PolarHBondContact O-N 2.88Å; E637-S639 VanDerWaalsContact C-N 3.3Å; E637-S639 PolarHBondContact O-N 3.43Å; E637-R640 PolarHBondContact O-N 3Å; E637-I641 WeakPolarHBondContact O-CG1 3.31Å; E637-I641 PolarHBondContact O-N 2.67Å
638K74.9Confident68.5Low148 Ų14897.7 Ų97.764%0.64348%0.484SS*.Hα-helixtrans-57.9-43.1173-76179-179177.80111.8A634 K642A634-K638 WeakPolarHBondContact O-CG 3.37Å; A634-K638 PolarHBondContact O-N 2.94Å; K638-K642 WeakPolarHBondContact O-CB 3.42Å; K638-K642 PolarHBondContact O-N 2.88Å
639S70.4Confident67.3Low24 Ų24100.7 Ų100.717%0.16851%0.506CS..Hα-helixtrans-69-39.9178-580000111.8N635 Y636 E637 I641 K642 F643N635-S639 WeakPolarHBondContact O-CB 3.37Å; N635-S639 PolarHBondContact O-N 3.33Å; N635-S639 PolarHBondContact O-OG 2.62Å; Y636-S639 CarbonylContact O-C 3.54Å; Y636-S639 PolarHBondContact O-N 2.79Å; E637-S639 VanDerWaalsContact C-N 3.3Å; E637-S639 PolarHBondContact O-N 3.43Å; S639-I641 VanDerWaalsContact C-N 3.34Å; S639-I641 PolarHBondContact O-N 3.46Å; S639-K642 PolarHBondContact O-N 2.78Å; S639-F643 WeakPolarHBondContact O-CB 3.33Å; S639-F643 WeakPolarHBondContact O-CD2 3.47Å; S639-F643 PolarHBondContact O-N 2.86Å
640R71Confident65.7Low67 Ų67100.2 Ų100.225%0.25352%0.515SS..Hα-helixtrans-60.1-44176.6-177.9-177.579.1104.6-5.9111.1Y636 E637 K644 L645 P646 P647Y636-R640 HydrophobicContact CE1-CB 4.46Å; Y636-R640 VanDerWaalsContact O-CB 3.25Å; Y636-R640 WeakPolarHBondContact O-CB 3.44Å; Y636-R640 PolarHBondContact O-N 2.79Å; E637-R640 PolarHBondContact O-N 3Å; R640-K644 CarbonylContact O-C 3.58Å; R640-K644 VanDerWaalsContact O-CA 3.23Å; R640-K644 WeakPolarHBondContact O-CA 3.47Å; R640-K644 PolarHBondContact O-N 3.46Å; R640-L645 HydrophobicContact CB-CB 4.26Å; R640-L645 HydrophobicContact CG-CB 3.83Å; R640-L645 WeakPolarHBondContact CG-O 3.08Å; R640-L645 PolarHBondContact O-N 2.84Å; R640-P646 WeakPolarHBondContact CD-O 3.46Å; R640-P647 VanDerWaalsContact NH1-CA 3.27Å
641I73.4Confident64.1Low128 Ų128101.3 Ų101.366%0.65652%0.524SS*.Hα-helixtrans-65.1-48.7173.8-65.1166.7000110.3E637 S639 F643 K644E637-I641 WeakPolarHBondContact O-CG1 3.31Å; E637-I641 PolarHBondContact O-N 2.67Å; S639-I641 VanDerWaalsContact C-N 3.34Å; S639-I641 PolarHBondContact O-N 3.46Å; I641-F643 VanDerWaalsContact C-N 3.32Å; I641-F643 PolarHBondContact O-N 2.89Å; I641-K644 PolarHBondContact O-N 3.35Å
642K71.1Confident62.8Low163 Ų163103.5 Ų103.571%0.70954%0.537SS*.Hα-helixtrans-59.3-40.1-179.8-175.5178.9178.4-178.30113K638 S639K638-K642 WeakPolarHBondContact O-CB 3.42Å; K638-K642 PolarHBondContact O-N 2.88Å; S639-K642 PolarHBondContact O-N 2.78Å
643F70Confident61.4Low100 Ų100106 Ų10644%0.43955%0.552SS.*THydrogen-bonded Turntrans-105.28.9-174.6-61.6-66.6000113.7F609 S639 I641 L645F609-F643 HydrophobicContact CE1-CD2 4.34Å; F609-F643 AromaticContact CE1-CE2 3.51Å; F609-F643 HydrophobicContact CE1-CE2 3.51Å; F609-F643 AromaticContact CE1-CZ 3.81Å; F609-F643 HydrophobicContact CE1-CZ 3.81Å; F609-F643 HydrophobicContact CZ-CD2 4.13Å; F609-F643 AromaticContact CZ-CE2 3.53Å; F609-F643 HydrophobicContact CZ-CE2 3.53Å; F609-F643 HydrophobicContact CZ-CZ 4.29Å; S639-F643 WeakPolarHBondContact O-CB 3.33Å; S639-F643 WeakPolarHBondContact O-CD2 3.47Å; S639-F643 PolarHBondContact O-N 2.86Å; I641-F643 VanDerWaalsContact C-N 3.32Å; I641-F643 PolarHBondContact O-N 2.89Å; F643-L645 VanDerWaalsContact C-N 3.28Å; F643-L645 HydrophobicContact CB-CD1 4.4Å; F643-L645 HydrophobicContact CB-CG 4.13Å; F643-L645 PolarHBondContact O-N 2.78Å
644K71.3Confident60.1Low197 Ų197107.2 Ų107.286%0.85756%0.558SS**THydrogen-bonded Turntrans49.143.4-177.7-62.3-176.8177.4-178.60113.8R640 I641R640-K644 CarbonylContact O-C 3.58Å; R640-K644 VanDerWaalsContact O-CA 3.23Å; R640-K644 WeakPolarHBondContact O-CA 3.47Å; R640-K644 PolarHBondContact O-N 3.46Å; I641-K644 PolarHBondContact O-N 3.35Å
645L67.9Low58.6Low74 Ų74109 Ų10939%0.38757%0.566SS.*PPolyproline II helixtrans-76.1152.9178.8-64.3167.4000111.3R640 F643R640-L645 HydrophobicContact CB-CB 4.26Å; R640-L645 HydrophobicContact CG-CB 3.83Å; R640-L645 WeakPolarHBondContact CG-O 3.08Å; R640-L645 PolarHBondContact O-N 2.84Å; F643-L645 VanDerWaalsContact C-N 3.28Å; F643-L645 HydrophobicContact CB-CD1 4.4Å; F643-L645 HydrophobicContact CB-CG 4.13Å; F643-L645 PolarHBondContact O-N 2.78Å
646P54.2Low57.6Low95 Ų95113 Ų11362%0.61759%0.586SS**PPolyproline II helixtrans-58.4150.3-178.4-21.731.8000113.3R640R640-P646 WeakPolarHBondContact CD-O 3.46Å
647P56.2Low56.6Low96 Ų96114.1 Ų114.162%0.62360%0.598SS**PPolyproline II helixtrans-62157.2171.126.7-32.2000112.3R640R640-P647 VanDerWaalsContact NH1-CA 3.27Å
648Y53.9Low55.5Low123 Ų123114.2 Ų114.248%0.48260%0.601SS.*PPolyproline II helixtrans-51.2139.2172.5-79.6-79.5000109.6Y636 S650Y636-Y648 HydrophobicContact CD1-CE2 4.31Å; Y636-Y648 AromaticContact CD1-CZ 4Å; Y636-Y648 HydrophobicContact CE1-CE2 4.36Å; Y648-S650 PolarHBondContact O-N 2.89Å; Y648-S650 VanDerWaalsContact O-N 3.16Å
649P46.5Very low54Low122 Ų122111.2 Ų111.279%0.79259%0.592SS**PPolyproline II helixtrans-57.8123.517023.7-30.6000108.4M651P649-M651 PolarHBondContact O-N 3.3Å
650S35.7Very low52.6Low110 Ų110116.2 Ų116.277%0.76961%0.607SS**PPolyproline II helixtrans-59.3133.7171.948.60000108.6Y648Y648-S650 PolarHBondContact O-N 2.89Å; Y648-S650 VanDerWaalsContact O-N 3.16Å
651M40.9Very low51.4Low155 Ų155122.3 Ų122.376%0.76463%0.631SS**PPolyproline II helixtrans-54.5133169.4-109.3-174.271.800108.2P649P649-M651 PolarHBondContact O-N 3.3Å
652P44.3Very low50.1Low107 Ų107124.9 Ų124.970%0.69563%0.633SS**PPolyproline II helixtrans-59.1145.2174.823.7-31.2000109.7E654P652-E654 PolarHBondContact O-N 2.86Å
653T39.5Very low48.8Very low137 Ų137120.9 Ų120.984%0.8462%0.619SS**PPolyproline II helixtrans-51.7129.5178.1-360000109.7P655T653-P655 VanDerWaalsContact O-CD 3.32Å; T653-P655 WeakPolarHBondContact O-CD 3.46Å
654E42.3Very low47.5Very low121 Ų121120.4 Ų120.457%0.56563%0.626SS**PPolyproline II helixtrans-58.2122.8177.9-79.9-169.2142.600109.7P652 I656 R662P652-E654 PolarHBondContact O-N 2.86Å; E654-I656 PolarHBondContact O-N 2.96Å; E654-R662 IonicContact OE1-NH1 3.66Å
655P40.8Very low46.4Very low78 Ų78113.7 Ų113.751%0.50660%0.604SS.*PPolyproline II helixtrans-64.7122.2175.9-18.330.3000109.5T653 N657 L658T653-P655 VanDerWaalsContact O-CD 3.32Å; T653-P655 WeakPolarHBondContact O-CD 3.46Å; P655-N657 PolarHBondContact O-N 3.32Å; P655-L658 HydrophobicContact CB-CD1 4.08Å; P655-L658 HydrophobicContact CB-CG 4.14Å; P655-L658 HydrophobicContact CG-CD1 3.66Å; P655-L658 HydrophobicContact CG-CG 4.28Å; P655-L658 PolarHBondContact O-N 3Å; P655-L658 VanDerWaalsContact O-N 3.08Å
656I48.5Very low45.4Very low158 Ų158114.3 Ų114.381%0.8161%0.607SS**THydrogen-bonded Turntrans-51-23.1-175.7-67.5167.9000113.1E654E654-I656 PolarHBondContact O-N 2.96Å
657N46.5Very low45Very low115 Ų115114.7 Ų114.762%0.61560%0.601SS**THydrogen-bonded Turntrans-105.910-176.1-79.5-30.7000116.5P655P655-N657 PolarHBondContact O-N 3.32Å
658L46.4Very low44.6Very low80 Ų80115.3 Ų115.342%0.41960%0.598SS.*SBendtrans-84.5-15.9174.2-76176.5000114.2P655 R660 Y661 R662P655-L658 HydrophobicContact CB-CD1 4.08Å; P655-L658 HydrophobicContact CB-CG 4.14Å; P655-L658 HydrophobicContact CG-CD1 3.66Å; P655-L658 HydrophobicContact CG-CG 4.28Å; P655-L658 PolarHBondContact O-N 3Å; P655-L658 VanDerWaalsContact O-N 3.08Å; L658-R660 PolarHBondContact O-N 2.85Å; L658-Y661 HydrophobicContact CD2-CD2 4.29Å; L658-Y661 PolarHBondContact O-N 3.18Å; L658-R662 PolarHBondContact O-N 3.08Å
659N44.1Very low44.4Very low86 Ų86114 Ų11446%0.4660%0.599SS.*Hα-helixtrans-62.8-30.7179.1-71.9-15.8000112.5Y661 R662 D663N659-Y661 PolarHBondContact O-N 2.89Å; N659-R662 PolarHBondContact O-N 3.02Å; N659-D663 PolarHBondContact O-N 2.66Å
660R41Very low44.6Very low128 Ų128112.8 Ų112.848%0.48358%0.583SS.*Hα-helixtrans-62.5-25.7173.9-80.2-174.4172.8171-0.8114.2L658 E670L658-R660 PolarHBondContact O-N 2.85Å; R660-E670 IonicContact CZ-OE2 3.85Å; R660-E670 IonicContact NE-OE2 2.91Å; R660-E670 IonicContact NH2-OE1 3.87Å; R660-E670 PolarHBondContact NH2-OE1 3.06Å; R660-E670 VanDerWaalsContact NH2-OE1 3.1Å; R660-E670 IonicContact NH2-OE2 3.13Å; R660-E670 PolarHBondContact NH2-OE2 2.95Å; R660-E670 VanDerWaalsContact NH2-OE2 3.12Å
661Y44Very low45.3Very low195 Ų195113.8 Ų113.877%0.76558%0.575SS**Hα-helixtrans-98.8-16.2-178.4-61.3-77.4000113.4L658 N659L658-Y661 HydrophobicContact CD2-CD2 4.29Å; L658-Y661 PolarHBondContact O-N 3.18Å; N659-Y661 PolarHBondContact O-N 2.89Å
662R47Very low46Very low182 Ų182113.4 Ų113.469%0.68757%0.574SS**Hα-helixtrans-86.9-28.7179.1-81.3-173.2173.6171.40.1113E654 L658 N659E654-R662 IonicContact OE1-NH1 3.66Å; L658-R662 PolarHBondContact O-N 3.08Å; N659-R662 PolarHBondContact O-N 3.02Å
663D43.6Very low46.1Very low80 Ų80113.7 Ų113.743%0.42857%0.569SS.*  trans-137.496.8-179.1-157.5-21.6000111.8N659 S665 L666N659-D663 PolarHBondContact O-N 2.66Å; D663-S665 PolarHBondContact O-N 3.19Å; D663-S665 VanDerWaalsContact O-N 3.08Å; D663-S665 WeakPolarHBondContact OD1-CB 3.15Å; D663-S665 PolarHBondContact OD1-N 2.97Å; D663-S665 PolarHBondContact OD1-OG 3.22Å; D663-S665 PolarHBondContact OD2-OG 2.78Å; D663-L666 PolarHBondContact O-N 3.29Å
664P42.4Very low46.4Very low89 Ų89112.1 Ų112.158%0.57856%0.564SS**THydrogen-bonded Turntrans-58.7-18.6177.8-21.932000113.9L666 Q667 L668P664-L666 PolarHBondContact O-N 3.15Å; P664-Q667 WeakPolarHBondContact O-CB 3.45Å; P664-Q667 PolarHBondContact O-N 3.43Å; P664-L668 PolarHBondContact O-N 3.3Å
665S47.9Very low46.2Very low57 Ų57111.2 Ų111.240%0.39957%0.571SS.*Hα-helixtrans-65.9-26.7179.965.90000113.1D663 Q667 L668 L669D663-S665 PolarHBondContact O-N 3.19Å; D663-S665 VanDerWaalsContact O-N 3.08Å; D663-S665 WeakPolarHBondContact OD1-CB 3.15Å; D663-S665 PolarHBondContact OD1-N 2.97Å; D663-S665 PolarHBondContact OD1-OG 3.22Å; D663-S665 PolarHBondContact OD2-OG 2.78Å; S665-Q667 VanDerWaalsContact C-N 3.33Å; S665-L668 PolarHBondContact O-N 2.84Å; S665-L669 PolarHBondContact O-N 3.25Å
666L47.2Very low46Very low87 Ų87112.1 Ų112.146%0.45558%0.579SS.*Hα-helixtrans-70.2-29.4174.7-71.6172.7000112.6D663 P664 L669 E670D663-L666 PolarHBondContact O-N 3.29Å; P664-L666 PolarHBondContact O-N 3.15Å; L666-L669 HydrophobicContact CD2-CD1 4.49Å; L666-L669 PolarHBondContact O-N 3.47Å; L666-E670 PolarHBondContact O-N 2.66Å; L666-E670 VanDerWaalsContact O-N 3.08Å
667Q45.8Very low45.2Very low102 Ų102109.3 Ų109.348%0.47757%0.574SS.*Hα-helixtrans-68.7-38.8174.6-114.4173-0.400111.4P664 S665 L669 E670 E671P664-Q667 WeakPolarHBondContact O-CB 3.45Å; P664-Q667 PolarHBondContact O-N 3.43Å; S665-Q667 VanDerWaalsContact C-N 3.33Å; Q667-L669 VanDerWaalsContact C-N 3.33Å; Q667-L669 PolarHBondContact O-N 3.37Å; Q667-E670 PolarHBondContact O-N 2.81Å; Q667-E671 WeakPolarHBondContact O-CG 3.33Å; Q667-E671 PolarHBondContact O-N 3Å
668L48.6Very low44.5Very low109 Ų109109.1 Ų109.157%0.57158%0.581SS**Hα-helixtrans-67.4-32.5174.7-75.9168.9000112.5P664 S665 M672P664-L668 PolarHBondContact O-N 3.3Å; S665-L668 PolarHBondContact O-N 2.84Å; L668-M672 WeakPolarHBondContact O-CB 3.4Å; L668-M672 VanDerWaalsContact O-CG 3.26Å; L668-M672 WeakPolarHBondContact O-CG 3.48Å; L668-M672 PolarHBondContact O-N 2.93Å
669L49Very low43.8Very low95 Ų95113 Ų11350%0.49760%0.602SS.*Hα-helixtrans-68.2-45.9173.4-90.4144.4000112.1S665 L666 Q667 E671 M672 D673S665-L669 PolarHBondContact O-N 3.25Å; L666-L669 HydrophobicContact CD2-CD1 4.49Å; L666-L669 PolarHBondContact O-N 3.47Å; Q667-L669 VanDerWaalsContact C-N 3.33Å; Q667-L669 PolarHBondContact O-N 3.37Å; L669-E671 VanDerWaalsContact C-N 3.31Å; L669-E671 PolarHBondContact O-N 3.07Å; L669-M672 PolarHBondContact O-N 3.31Å; L669-D673 PolarHBondContact O-N 2.75Å
670E50.5Low43Very low98 Ų98113.1 Ų113.146%0.45861%0.609SS.*Hα-helixtrans-62.8-36.1175.9-82.9-174.2155.300112.2R660 L666 Q667 S674R660-E670 IonicContact CZ-OE2 3.85Å; R660-E670 IonicContact NE-OE2 2.91Å; R660-E670 IonicContact NH2-OE1 3.87Å; R660-E670 PolarHBondContact NH2-OE1 3.06Å; R660-E670 VanDerWaalsContact NH2-OE1 3.1Å; R660-E670 IonicContact NH2-OE2 3.13Å; R660-E670 PolarHBondContact NH2-OE2 2.95Å; R660-E670 VanDerWaalsContact NH2-OE2 3.12Å; L666-E670 PolarHBondContact O-N 2.66Å; L666-E670 VanDerWaalsContact O-N 3.08Å; Q667-E670 PolarHBondContact O-N 2.81Å; E670-S674 PolarHBondContact O-N 3.14Å; E670-S674 PolarHBondContact O-OG 2.89Å
671E52Low42.4Very low131 Ų131113.2 Ų113.261%0.61262%0.624SS**Hα-helixtrans-74.6-33177-73.9-177.517800113Q667 L669 S675Q667-E671 WeakPolarHBondContact O-CG 3.33Å; Q667-E671 PolarHBondContact O-N 3Å; L669-E671 VanDerWaalsContact C-N 3.31Å; L669-E671 PolarHBondContact O-N 3.07Å; E671-S675 PolarHBondContact O-OG 2.76Å
672M53.9Low41.6Very low147 Ų147109 Ų10972%0.72462%0.623SS**Hα-helixtrans-69.8-38.8174.1-80.9-175.5147.100112.4L668 L669 S674 S675L668-M672 WeakPolarHBondContact O-CB 3.4Å; L668-M672 VanDerWaalsContact O-CG 3.26Å; L668-M672 WeakPolarHBondContact O-CG 3.48Å; L668-M672 PolarHBondContact O-N 2.93Å; L669-M672 PolarHBondContact O-N 3.31Å; M672-S674 VanDerWaalsContact C-N 3.27Å; M672-S674 PolarHBondContact O-N 2.8Å; M672-S675 PolarHBondContact O-N 3.18Å
673D47.8Very low40.8Very low112 Ų112105.7 Ų105.760%0.59963%0.627SS**Hα-helixtrans-68.4-29.7178.3-75-18.9000112.1L669 S675 S676L669-D673 PolarHBondContact O-N 2.75Å; D673-S675 PolarHBondContact O-N 3.16Å; D673-S676 PolarHBondContact O-N 2.81Å; D673-S676 PolarHBondContact O-OG 2.82Å
674S44.2Very low40.2Very low104 Ų104107 Ų10773%0.72764%0.643SS**THydrogen-bonded Turntrans-71.9-7.2179.7-60.60000114.4E670 M672E670-S674 PolarHBondContact O-N 3.14Å; E670-S674 PolarHBondContact O-OG 2.89Å; M672-S674 VanDerWaalsContact C-N 3.27Å; M672-S674 PolarHBondContact O-N 2.8Å
675S39.8Very low39.7Very low103 Ų103110.7 Ų110.772%0.7266%0.658SS**THydrogen-bonded Turntrans-96.60.3177.3-510000113.9E671 M672 D673 S677E671-S675 PolarHBondContact O-OG 2.76Å; M672-S675 PolarHBondContact O-N 3.18Å; D673-S675 PolarHBondContact O-N 3.16Å; S675-S677 PolarHBondContact O-N 3.04Å
676S36.1Very low39.6Very low96 Ų96113.1 Ų113.167%0.67167%0.673SS**SBendtrans-84.8102.9176.263.60000111.1D673D673-S676 PolarHBondContact O-N 2.81Å; D673-S676 PolarHBondContact O-OG 2.82Å
677S31.9Very low38.7Very low100 Ų100117.2 Ų117.270%0.69969%0.689SS**  trans-26.5125170560000117S675S675-S677 PolarHBondContact O-N 3.04Å
678S30.4Very low37.9Very low110 Ų110119.2 Ų119.277%0.76970%0.703SS**  trans20.6105133.159.40000117.8
679L31.6Very low37.2Very low163 Ų163118.7 Ų118.785%0.85371%0.709SS**  trans-142.192.1150.7-150.571.9000110.8
680S29.1Very low36.2Very low88 Ų88121.3 Ų121.362%0.61572%0.723SS**  trans28.7116.4137.114.70000120.7
681T28Very low35.6Very low129 Ų129123.1 Ų123.179%0.79174%0.741SS**  48.7119.8120.959.40000120.9
682S27.5Very low34.6Very low106 Ų106123.5 Ų123.574%0.74175%0.747SS**  156.3110.8126.449.20000108.1
683S28.6Very low33.4Very low113 Ų113123 Ų12379%0.7975%0.748SS**  56.39782.173.80000114.5
684S32.2Very low32.9Very low109 Ų109125.5 Ų125.576%0.76276%0.761SS**  trans165.398.8146.850.40000106.8
685D30.9Very low32.2Very low166 Ų166126 Ų12689%0.88877%0.765SS**  69.6146.692.7-88.3-20.5000115.3
686P47.4Very low32Very low108 Ų108129.6 Ų129.670%0.70178%0.775SS**  trans-97.7157.4-152.638.3-32.3000112.3
687E27.4Very low31.7Very low173 Ų173128.4 Ų128.481%0.80878%0.778SS**  trans175.3141.6142.2-102.2175-161.800111.7
688N29.6Very low31.5Very low144 Ų144131.7 Ų131.777%0.7779%0.786SS**  trans74.9132.8160.4-59.9-30.2000117.1
689S32.9Very low31.8Very low98 Ų98135.4 Ų135.469%0.68579%0.792SS**  cis-165.3141.216.645.80000110.2
690D28.5Very low31.8Very low149 Ų149135.1 Ų135.180%0.79779%0.791SS**  trans17.6119.8139.8-58.7-34000119
691T37Very low32.2Very low137 Ų137137.5 Ų137.584%0.8480%0.802SS**  trans-151.794.4140.417.70000109.4
692D32.3Very low32.7Very low138 Ų138142.5 Ų142.574%0.73882%0.824SS**  trans30133137.4-66.8-24.9000122.4
693N28.5Very low32.9Very low138 Ų138144.4 Ų144.474%0.73883%0.828SS**  trans74.1104142.3-65.3-23.6000118.8
694D36.2Very low33.1Very low164 Ų164146 Ų14688%0.87783%0.83SS**  -166.8121101.2-94-23.9000111.6
695S30.1Very low33.2Very low115 Ų115148.1 Ų148.180%0.80483%0.833SS**  trans-60.4126172.2-75.50000112.3
696L35.1Very low33.3Very low177 Ų177147 Ų14793%0.92783%0.83SS**  trans-130.179.2141.9-78.2174.8000107.6L698L696-L698 PolarHBondContact O-N 3.16Å
697G29.4Very low32.4Very low71 Ų71149.4 Ų149.473%0.73284%0.838SS**  trans-63.4121.7172.200000110.6E699G697-E699 PolarHBondContact O-N 3.23Å
698L28Very low32.8Very low169 Ų169147.9 Ų147.989%0.88584%0.84SS**  trans-75.1106.3153.2-73.5157.2000105.8L696L696-L698 PolarHBondContact O-N 3.16Å
699E36.3Very low33Very low188 Ų188148.1 Ų148.188%0.87985%0.845SS**  trans-104.2123.1165.4-82.6-175.3170.700109G697G697-E699 PolarHBondContact O-N 3.23Å
700D33.5Very low33Very low158 Ų158152 Ų15285%0.84586%0.858SS**  trans-58.5144.7176.9-66.3-51.5000112.4
701V37Very low33.4Very low138 Ų138152.3 Ų152.384%0.83686%0.863SS**  trans-119104.7156.8-178.90000106.1
702D37.3Very low33.1Very low234 Ų234153.6 Ų153.6100%1.25187%0.865SS**  trans32.60162.4-61-27.5000120.8

Retrieved 702 of 702 residues in 195.9 ms (Link to these results)

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