A0A077Z004_TRITR Loading...

Sodium bicarbonate transporter-like protein 11

AlphaFold DB , UniProt , Accession A0A077Z004, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 379 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
1S75.9Confident86.5Confident9 Ų918.8 Ų18.86%0.06310%0.1CC..  0-730-171.50000116E3 E4 I5 Q326 D376S1-E3 VanDerWaalsContact C-N 3.34Å; S1-E3 PolarHBondContact O-N 2.87Å; S1-E4 WeakPolarHBondContact CA-OE2 3.24Å; S1-E4 VanDerWaalsContact N-CD 3.29Å; S1-E4 PolarHBondContact N-OE1 3.15Å; S1-E4 PolarHBondContact N-OE2 3.05Å; S1-E4 WeakPolarHBondContact O-CB 3.37Å; S1-E4 PolarHBondContact O-N 3.35Å; S1-E4 VanDerWaalsContact O-N 3.14Å; S1-I5 PolarHBondContact O-N 3.36Å; S1-Q326 PolarHBondContact OG-NE2 3.45Å; S1-D376 PolarHBondContact N-OD1 3.11Å
2T81.5Confident87.1Confident20 Ų2022.3 Ų22.312%0.12312%0.117CC..Hα-helixtrans-62.2-39.2-174.341.80000113.4E4 I5 F6T2-E4 VanDerWaalsContact C-N 3.31Å; T2-E4 PolarHBondContact O-N 3.24Å; T2-I5 PolarHBondContact O-N 2.87Å; T2-F6 PolarHBondContact O-N 3.29Å
3E83.3Confident87.5Confident56 Ų5622 Ų2226%0.26212%0.12SC..Hα-helixtrans-58.9-40.5174.3-68.5161.3-134.700112.5S1 F6 S7 A170 I171S1-E3 VanDerWaalsContact C-N 3.34Å; S1-E3 PolarHBondContact O-N 2.87Å; E3-F6 PolarHBondContact O-N 3.25Å; E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 3.4Å; E3-A170 VanDerWaalsContact CD-CB 3.47Å; E3-A170 HydrophobicContact CG-CB 4.04Å; E3-A170 VanDerWaalsContact OE1-CB 3.24Å; E3-A170 WeakPolarHBondContact OE1-CB 3.28Å; E3-I171 HydrophobicContact CB-CD1 4.32Å; E3-I171 HydrophobicContact CB-CG1 3.74Å; E3-I171 HydrophobicContact CG-CG1 3.91Å
4E85.7Confident87.8Confident32 Ų3223.8 Ų23.815%0.1513%0.127CC..Hα-helixtrans-67.1-43.9179.2-66.1145.8-139.800111.5S1 T2 F6 S7 I8 N289 E290 M291 R294S1-E4 WeakPolarHBondContact CA-OE2 3.24Å; S1-E4 VanDerWaalsContact N-CD 3.29Å; S1-E4 PolarHBondContact N-OE1 3.15Å; S1-E4 PolarHBondContact N-OE2 3.05Å; S1-E4 WeakPolarHBondContact O-CB 3.37Å; S1-E4 PolarHBondContact O-N 3.35Å; S1-E4 VanDerWaalsContact O-N 3.14Å; T2-E4 VanDerWaalsContact C-N 3.31Å; T2-E4 PolarHBondContact O-N 3.24Å; E4-F6 VanDerWaalsContact C-N 3.34Å; E4-S7 PolarHBondContact O-N 2.96Å; E4-I8 PolarHBondContact O-N 3.11Å; E4-N289 WeakPolarHBondContact CB-OD1 3.5Å; E4-N289 PolarHBondContact O-ND2 3.18Å; E4-E290 HydrophobicContact CG-CB 4.35Å; E4-M291 HydrophobicContact CB-CB 3.73Å; E4-M291 HydrophobicContact CG-CB 4.48Å; E4-R294 IonicContact OE2-CZ 3.26Å; E4-R294 IonicContact OE2-NH1 2.69Å; E4-R294 IonicContact OE2-NH2 3.72Å; E4-R294 PolarHBondContact OE2-NH2 3.23Å
5I89Confident88.2Confident2 Ų225.9 Ų25.91%0.0114%0.14CC..Hα-helixtrans-60.6-47.3176.6-63.7167.1000109.7S1 T2 I8 F9 M291 Q326 Q329 L330 L333S1-I5 PolarHBondContact O-N 3.36Å; T2-I5 PolarHBondContact O-N 2.87Å; I5-I8 PolarHBondContact O-N 2.81Å; I5-F9 WeakPolarHBondContact O-CB 3.26Å; I5-F9 PolarHBondContact O-N 3.05Å; I5-M291 HydrophobicContact CB-SD 4.22Å; I5-M291 HydrophobicContact CG1-CE 4.5Å; I5-M291 HydrophobicContact CG1-SD 3.54Å; I5-M291 VanDerWaalsContact CG1-SD 3.54Å; I5-Q326 HydrophobicContact CD1-CB 4.34Å; I5-Q326 HydrophobicContact CD1-CG 4.25Å; I5-Q326 HydrophobicContact CG1-CB 4.4Å; I5-Q329 HydrophobicContact CD1-CB 4.25Å; I5-L330 HydrophobicContact CG2-CB 4.26Å; I5-L330 HydrophobicContact CG2-CD1 4.23Å; I5-L333 HydrophobicContact CG2-CD2 4.32Å
6F87Confident88.5Confident10 Ų1026.2 Ų26.24%0.04415%0.148CC..Hα-helixtrans-64.3-42.9-179.7-164.9-91.1000111.6T2 E3 E4 I8 F9 I10 D164 I167 L211 F348T2-F6 PolarHBondContact O-N 3.29Å; E3-F6 PolarHBondContact O-N 3.25Å; E4-F6 VanDerWaalsContact C-N 3.34Å; F6-I8 VanDerWaalsContact C-N 3.34Å; F6-I8 PolarHBondContact O-N 2.94Å; F6-F9 WeakPolarHBondContact O-CB 3.18Å; F6-F9 PolarHBondContact O-N 2.83Å; F6-I10 HydrophobicContact CD1-CD1 4.5Å; F6-I10 HydrophobicContact CD1-CG1 3.85Å; F6-I10 HydrophobicContact CE1-CD1 3.81Å; F6-I10 HydrophobicContact CE1-CG1 3.59Å; F6-I10 HydrophobicContact CZ-CD1 4.07Å; F6-I10 HydrophobicContact CZ-CG1 4.3Å; F6-I10 WeakPolarHBondContact O-CG1 3.48Å; F6-I10 PolarHBondContact O-N 3.46Å; F6-D164 WeakPolarHBondContact CZ-OD1 3.36Å; F6-I167 HydrophobicContact CB-CD1 4.3Å; F6-I167 HydrophobicContact CB-CG2 4.17Å; F6-I167 HydrophobicContact CD1-CD1 4.39Å; F6-I167 HydrophobicContact CD1-CG2 3.89Å; F6-I167 HydrophobicContact CD2-CD1 3.73Å; F6-I167 HydrophobicContact CE2-CD1 4.07Å; F6-I167 HydrophobicContact CG-CD1 3.88Å; F6-I167 HydrophobicContact CG-CG2 4.08Å; F6-L211 HydrophobicContact CD1-CD1 3.58Å; F6-L211 HydrophobicContact CE1-CD1 3.58Å; F6-F348 HydrophobicContact CD2-CZ 4.48Å; F6-F348 AromaticContact CE2-CE1 3.95Å; F6-F348 HydrophobicContact CE2-CE1 3.95Å; F6-F348 AromaticContact CE2-CZ 3.65Å; F6-F348 HydrophobicContact CE2-CZ 3.65Å; F6-F348 HydrophobicContact CZ-CE1 4.46Å; F6-F348 HydrophobicContact CZ-CZ 4.31Å
7S86.6Confident88.7Confident28 Ų2830.5 Ų30.520%0.19617%0.166CC..Hα-helixtrans-59.4-42175.8166.20000112.5E3 E4 A11 N289E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 3.4Å; E4-S7 PolarHBondContact O-N 2.96Å; S7-A11 PolarHBondContact O-N 2.87Å; S7-A11 VanDerWaalsContact O-N 3.09Å; S7-N289 WeakPolarHBondContact CB-ND2 3.31Å; S7-N289 PolarHBondContact OG-ND2 3.42Å; S7-N289 VanDerWaalsContact OG-ND2 3.16Å
8I91Very high88.9Confident7 Ų728.8 Ų28.84%0.03616%0.157CC..Hα-helixtrans-69.8-38.1176.3-72.1164.9000111.3E4 I5 F6 I10 A11 I12 L286 N289 M291 F292 I295 L330E4-I8 PolarHBondContact O-N 3.11Å; I5-I8 PolarHBondContact O-N 2.81Å; F6-I8 VanDerWaalsContact C-N 3.34Å; F6-I8 PolarHBondContact O-N 2.94Å; I8-I10 PolarHBondContact O-N 2.75Å; I8-A11 WeakPolarHBondContact O-CB 3.42Å; I8-A11 PolarHBondContact O-N 2.98Å; I8-I12 HydrophobicContact CG2-CD1 3.81Å; I8-I12 HydrophobicContact CG2-CG1 4.32Å; I8-I12 VanDerWaalsContact O-CG1 3.32Å; I8-I12 WeakPolarHBondContact O-CG1 3.39Å; I8-I12 PolarHBondContact O-N 3.24Å; I8-L286 HydrophobicContact CG1-CD2 4Å; I8-N289 WeakPolarHBondContact CG1-ND2 3.43Å; I8-M291 HydrophobicContact CB-CE 4.35Å; I8-M291 HydrophobicContact CD1-CB 3.64Å; I8-M291 HydrophobicContact CD1-CE 3.58Å; I8-M291 HydrophobicContact CD1-CG 3.58Å; I8-M291 HydrophobicContact CD1-SD 3.73Å; I8-M291 HydrophobicContact CG2-CE 4.3Å; I8-F292 HydrophobicContact CD1-CB 4.05Å; I8-I295 HydrophobicContact CD1-CD1 4.41Å; I8-L330 HydrophobicContact CB-CD1 4.39Å; I8-L330 HydrophobicContact CG2-CD1 4.02Å; I8-L330 HydrophobicContact CG2-CD2 3.59Å; I8-L330 HydrophobicContact CG2-CG 4.47Å
9F91.8Very high89.2Confident11 Ų1132.1 Ų32.15%0.04817%0.174CC..Hα-helixtrans-58.1-47.9174.5165.9-100.4000111.8I5 F6 A11 I12 A13 L330 L333 F348I5-F9 WeakPolarHBondContact O-CB 3.26Å; I5-F9 PolarHBondContact O-N 3.05Å; F6-F9 WeakPolarHBondContact O-CB 3.18Å; F6-F9 PolarHBondContact O-N 2.83Å; F9-A11 VanDerWaalsContact C-N 3.31Å; F9-A11 PolarHBondContact O-N 3.34Å; F9-I12 PolarHBondContact O-N 2.97Å; F9-A13 WeakPolarHBondContact O-CB 3.32Å; F9-A13 PolarHBondContact O-N 2.95Å; F9-L330 HydrophobicContact CB-CD1 3.85Å; F9-L333 HydrophobicContact CB-CD2 3.54Å; F9-L333 HydrophobicContact CB-CG 4.28Å; F9-L333 HydrophobicContact CD1-CD2 3.97Å; F9-L333 HydrophobicContact CD1-CG 4.31Å; F9-L333 HydrophobicContact CD2-CB 4.32Å; F9-L333 HydrophobicContact CD2-CD2 3.92Å; F9-L333 HydrophobicContact CD2-CG 3.68Å; F9-L333 HydrophobicContact CE2-CG 4.11Å; F9-L333 HydrophobicContact CG-CD2 3.51Å; F9-L333 HydrophobicContact CG-CG 3.8Å; F9-F348 HydrophobicContact CD1-CE2 4Å; F9-F348 AromaticContact CD1-CZ 3.96Å; F9-F348 HydrophobicContact CD1-CZ 3.96Å; F9-F348 HydrophobicContact CE1-CD2 4.46Å; F9-F348 AromaticContact CE1-CE2 3.3Å; F9-F348 HydrophobicContact CE1-CE2 3.3Å; F9-F348 AromaticContact CE1-CZ 3.38Å; F9-F348 HydrophobicContact CE1-CZ 3.38Å; F9-F348 HydrophobicContact CE2-CE2 4.08Å; F9-F348 HydrophobicContact CZ-CD2 4.2Å; F9-F348 AromaticContact CZ-CE2 3.35Å; F9-F348 HydrophobicContact CZ-CE2 3.35Å; F9-F348 AromaticContact CZ-CZ 3.94Å; F9-F348 HydrophobicContact CZ-CZ 3.94Å
10I88.4Confident89.3Confident30 Ų3036 Ų3615%0.15419%0.189CC..Hα-helixtrans-61.2-40.5176.6-64.9-57.3000111.3F6 I8 I12 A13 F14 L211F6-I10 HydrophobicContact CD1-CD1 4.5Å; F6-I10 HydrophobicContact CD1-CG1 3.85Å; F6-I10 HydrophobicContact CE1-CD1 3.81Å; F6-I10 HydrophobicContact CE1-CG1 3.59Å; F6-I10 HydrophobicContact CZ-CD1 4.07Å; F6-I10 HydrophobicContact CZ-CG1 4.3Å; F6-I10 WeakPolarHBondContact O-CG1 3.48Å; F6-I10 PolarHBondContact O-N 3.46Å; I8-I10 PolarHBondContact O-N 2.75Å; I10-I12 PolarHBondContact O-N 3Å; I10-A13 PolarHBondContact O-N 3.18Å; I10-F14 HydrophobicContact CG2-CD2 3.95Å; I10-F14 HydrophobicContact CG2-CE2 3.36Å; I10-F14 HydrophobicContact CG2-CZ 3.93Å; I10-F14 WeakPolarHBondContact O-CD2 3.41Å; I10-F14 PolarHBondContact O-N 3.4Å; I10-L211 HydrophobicContact CG1-CB 4.48Å; I10-L211 HydrophobicContact CG2-CB 4.44Å
11A91.6Very high89.4Confident2 Ų234.9 Ų34.92%0.01719%0.185CC..Hα-helixtrans-59.8-46.1174.700000111.8S7 I8 F9 A13 F14 V15 A282 S285 L286S7-A11 PolarHBondContact O-N 2.87Å; S7-A11 VanDerWaalsContact O-N 3.09Å; I8-A11 WeakPolarHBondContact O-CB 3.42Å; I8-A11 PolarHBondContact O-N 2.98Å; F9-A11 VanDerWaalsContact C-N 3.31Å; F9-A11 PolarHBondContact O-N 3.34Å; A11-A13 VanDerWaalsContact C-N 3.33Å; A11-A13 PolarHBondContact O-N 3.16Å; A11-F14 PolarHBondContact O-N 2.9Å; A11-V15 WeakPolarHBondContact O-CG2 3.28Å; A11-V15 PolarHBondContact O-N 2.8Å; A11-V15 VanDerWaalsContact O-N 3.13Å; A11-A282 HydrophobicContact CB-CB 4.37Å; A11-A282 WeakPolarHBondContact O-CB 3.46Å; A11-S285 VanDerWaalsContact CB-OG 3.27Å; A11-S285 WeakPolarHBondContact CB-OG 3.39Å; A11-L286 HydrophobicContact CB-CD2 3.83Å; A11-L286 HydrophobicContact CB-CG 4.17Å
12I93.7Very high90.1Very high60 Ų6035.4 Ų35.431%0.30819%0.187SC..Hα-helixtrans-63.1-40.5176.2-67.1168.6000110.7I8 F9 I10 V15 A16 L330 L338I8-I12 HydrophobicContact CG2-CD1 3.81Å; I8-I12 HydrophobicContact CG2-CG1 4.32Å; I8-I12 VanDerWaalsContact O-CG1 3.32Å; I8-I12 WeakPolarHBondContact O-CG1 3.39Å; I8-I12 PolarHBondContact O-N 3.24Å; F9-I12 PolarHBondContact O-N 2.97Å; I10-I12 PolarHBondContact O-N 3Å; I12-V15 PolarHBondContact O-N 3.33Å; I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 3.42Å; I12-L330 HydrophobicContact CD1-CD1 4.28Å; I12-L330 HydrophobicContact CD1-CD2 3.85Å; I12-L330 HydrophobicContact CD1-CG 4.33Å; I12-L338 HydrophobicContact CG2-CD1 4.08Å
13A91.7Very high90.6Very high19 Ų1937 Ų3716%0.15720%0.199CC..Hα-helixtrans-62.5-43.2178.700000112.2F9 I10 A11 V15 A16 E17 L338F9-A13 WeakPolarHBondContact O-CB 3.32Å; F9-A13 PolarHBondContact O-N 2.95Å; I10-A13 PolarHBondContact O-N 3.18Å; A11-A13 VanDerWaalsContact C-N 3.33Å; A11-A13 PolarHBondContact O-N 3.16Å; A13-V15 PolarHBondContact O-N 3.29Å; A13-A16 PolarHBondContact O-N 2.99Å; A13-E17 WeakPolarHBondContact O-CB 3.41Å; A13-E17 PolarHBondContact O-N 2.97Å; A13-L338 HydrophobicContact CB-CD2 4.2Å
14F91.5Very high90.8Very high47 Ų4737.7 Ų37.721%0.20621%0.205CC..Hα-helixtrans-64.5-39.2174.4-72.1-41.1000113.1I10 A11 S18 P212 F278 A282I10-F14 HydrophobicContact CG2-CD2 3.95Å; I10-F14 HydrophobicContact CG2-CE2 3.36Å; I10-F14 HydrophobicContact CG2-CZ 3.93Å; I10-F14 WeakPolarHBondContact O-CD2 3.41Å; I10-F14 PolarHBondContact O-N 3.4Å; A11-F14 PolarHBondContact O-N 2.9Å; F14-S18 WeakPolarHBondContact O-CB 3.31Å; F14-S18 PolarHBondContact O-N 3.48Å; F14-S18 PolarHBondContact O-OG 3.26Å; F14-P212 HydrophobicContact CD2-CG 4.42Å; F14-P212 HydrophobicContact CE2-CG 3.63Å; F14-P212 HydrophobicContact CZ-CG 4.34Å; F14-F278 HydrophobicContact CB-CB 4.48Å; F14-A282 HydrophobicContact CB-CB 4.04Å
15V94.1Very high90.9Very high55 Ų5536.5 Ų36.533%0.33320%0.199SC..Hα-helixtrans-63.6-45.8174.5174.60000110.5A11 I12 A13 S18 L19 L279 A282A11-V15 WeakPolarHBondContact O-CG2 3.28Å; A11-V15 PolarHBondContact O-N 2.8Å; A11-V15 VanDerWaalsContact O-N 3.13Å; I12-V15 PolarHBondContact O-N 3.33Å; A13-V15 PolarHBondContact O-N 3.29Å; V15-S18 PolarHBondContact O-N 3.01Å; V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.34Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.28Å; V15-L19 PolarHBondContact O-N 2.96Å; V15-L279 HydrophobicContact CB-CD2 4.23Å; V15-L279 HydrophobicContact CG1-CD2 4.2Å; V15-L279 HydrophobicContact CG2-CD2 3.97Å; V15-A282 HydrophobicContact CG2-CB 3.69Å
16A93.6Very high90.8Very high31 Ų3139.3 Ų39.326%0.25621%0.21SC..Hα-helixtrans-62.6-45179.700000112.2I12 A13 L19 K20 L338I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 3.42Å; A13-A16 PolarHBondContact O-N 2.99Å; A16-L19 PolarHBondContact O-N 3.44Å; A16-K20 VanDerWaalsContact O-CB 3.23Å; A16-K20 WeakPolarHBondContact O-CB 3.5Å; A16-K20 PolarHBondContact O-N 3.4Å; A16-L338 HydrophobicContact CB-CD1 4.19Å; A16-L338 HydrophobicContact CB-CD2 4Å
17E91.4Very high90.7Very high100 Ų10045 Ų4547%0.46724%0.235SC..Hα-helixtrans-65.7-41177.3-80-63.2136.800112A13 L19 K20 A21A13-E17 WeakPolarHBondContact O-CB 3.41Å; A13-E17 PolarHBondContact O-N 2.97Å; E17-L19 PolarHBondContact O-N 2.86Å; E17-K20 PolarHBondContact O-N 3.47Å; E17-K20 IonicContact OE1-NZ 2.85Å; E17-K20 PolarHBondContact OE1-NZ 3.44Å; E17-K20 VanDerWaalsContact OE1-NZ 3.14Å; E17-A21 WeakPolarHBondContact O-CB 3.42Å; E17-A21 PolarHBondContact O-N 3.05Å
18S92.7Very high90.5Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-63.3-42.2175.5-53.90000111.7F14 V15 A21 L22 D275 F278F14-S18 WeakPolarHBondContact O-CB 3.31Å; F14-S18 PolarHBondContact O-N 3.48Å; F14-S18 PolarHBondContact O-OG 3.26Å; V15-S18 PolarHBondContact O-N 3.01Å; S18-A21 PolarHBondContact O-N 2.99Å; S18-L22 WeakPolarHBondContact O-CB 3.09Å; S18-L22 PolarHBondContact O-N 3.39Å; S18-D275 PolarHBondContact OG-O 2.83Å; S18-F278 WeakPolarHBondContact OG-CB 3.08Å
19L93.9Very high89.9Confident90 Ų9047.1 Ų47.147%0.47124%0.243SC..Hα-helixtrans-69.1-34.7176.1-71.4175.8000112.6V15 A16 E17 L22 S23V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.34Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.28Å; V15-L19 PolarHBondContact O-N 2.96Å; A16-L19 PolarHBondContact O-N 3.44Å; E17-L19 PolarHBondContact O-N 2.86Å; L19-L22 HydrophobicContact CD2-CD2 4.4Å; L19-L22 PolarHBondContact O-N 3.3Å; L19-S23 WeakPolarHBondContact O-CB 3.16Å; L19-S23 PolarHBondContact O-N 3.03Å
20K92.5Very high89.1Confident110 Ų11051 Ų5148%0.47826%0.258SS..Hα-helixtrans-67.7-41.6174.9-178.5-179.3173.8-171.40111.2A16 E17 S23 N24A16-K20 VanDerWaalsContact O-CB 3.23Å; A16-K20 WeakPolarHBondContact O-CB 3.5Å; A16-K20 PolarHBondContact O-N 3.4Å; E17-K20 PolarHBondContact O-N 3.47Å; E17-K20 IonicContact OE1-NZ 2.85Å; E17-K20 PolarHBondContact OE1-NZ 3.44Å; E17-K20 VanDerWaalsContact OE1-NZ 3.14Å; K20-S23 PolarHBondContact O-N 2.92Å; K20-N24 WeakPolarHBondContact O-CB 3.43Å; K20-N24 PolarHBondContact O-N 3.14Å; K20-N24 PolarHBondContact O-ND2 3.31Å
21A90.1Very high88.3Confident13 Ų1355.3 Ų55.311%0.10728%0.277CS..Hα-helixtrans-62.8-45173.700000111.6E17 S18 N24 N25 D275E17-A21 WeakPolarHBondContact O-CB 3.42Å; E17-A21 PolarHBondContact O-N 3.05Å; S18-A21 PolarHBondContact O-N 2.99Å; A21-N24 PolarHBondContact O-N 3.33Å; A21-N25 WeakPolarHBondContact O-CB 3.17Å; A21-N25 PolarHBondContact O-N 3.15Å; A21-D275 WeakPolarHBondContact CB-OD2 3.31Å
22L91.3Very high87.2Confident21 Ų2157.9 Ų57.911%0.1129%0.29CS..Hα-helixtrans-57.2-50.7171.6-178.571.7000111.8S18 L19 N24 N25 Y26 Y66 L67 M70S18-L22 WeakPolarHBondContact O-CB 3.09Å; S18-L22 PolarHBondContact O-N 3.39Å; L19-L22 HydrophobicContact CD2-CD2 4.4Å; L19-L22 PolarHBondContact O-N 3.3Å; L22-N24 VanDerWaalsContact C-N 3.32Å; L22-N24 PolarHBondContact O-N 3.06Å; L22-N25 WeakPolarHBondContact O-CB 3.16Å; L22-N25 PolarHBondContact O-N 2.69Å; L22-N25 VanDerWaalsContact O-N 3.16Å; L22-Y26 HydrophobicContact CD1-CD2 3.96Å; L22-Y26 HydrophobicContact CD1-CE2 3.7Å; L22-Y26 HydrophobicContact CG-CD2 4.05Å; L22-Y26 HydrophobicContact CG-CE2 4.12Å; L22-Y26 WeakPolarHBondContact O-CD2 3.19Å; L22-Y26 PolarHBondContact O-N 2.9Å; L22-Y66 HydrophobicContact CB-CE1 4.44Å; L22-Y66 HydrophobicContact CD1-CD1 3.55Å; L22-Y66 HydrophobicContact CD1-CE1 4.08Å; L22-L67 HydrophobicContact CD1-CB 4.28Å; L22-L67 HydrophobicContact CD1-CD1 4.02Å; L22-L67 HydrophobicContact CD2-CD1 3.83Å; L22-M70 HydrophobicContact CB-SD 4.34Å; L22-M70 HydrophobicContact CD1-CE 4.41Å; L22-M70 HydrophobicContact CD1-SD 4.36Å; L22-M70 HydrophobicContact CD2-CE 3.91Å; L22-M70 HydrophobicContact CD2-SD 4.42Å
23S91.2Very high85.8Confident53 Ų5359.1 Ų59.137%0.37130%0.304SS..Hα-helixtrans-60.7-41.3179.7-177.40000112L19 K20 Y26 K27L19-S23 WeakPolarHBondContact O-CB 3.16Å; L19-S23 PolarHBondContact O-N 3.03Å; K20-S23 PolarHBondContact O-N 2.92Å; S23-Y26 PolarHBondContact O-N 2.95Å; S23-K27 WeakPolarHBondContact O-CG 3.38Å; S23-K27 PolarHBondContact O-N 2.88Å
24N88.4Confident84.3Confident71 Ų7160 Ų6038%0.3831%0.309SS..Hα-helixtrans-64.4-40.5175.6-73.6-19.6000111.6K20 A21 L22 K27 I28K20-N24 WeakPolarHBondContact O-CB 3.43Å; K20-N24 PolarHBondContact O-N 3.14Å; K20-N24 PolarHBondContact O-ND2 3.31Å; A21-N24 PolarHBondContact O-N 3.33Å; L22-N24 VanDerWaalsContact C-N 3.32Å; L22-N24 PolarHBondContact O-N 3.06Å; N24-K27 PolarHBondContact O-N 3.43Å; N24-I28 WeakPolarHBondContact O-CD1 3.18Å; N24-I28 VanDerWaalsContact O-CG1 3.24Å; N24-I28 WeakPolarHBondContact O-CG1 3.31Å; N24-I28 PolarHBondContact O-N 2.78Å
25N86.7Confident82.9Confident7 Ų758 Ų584%0.03730%0.301CS..Hα-helixtrans-61-47.8174.4-173-78.7000111.3A21 L22 K27 I28 F29 S63 Y66A21-N25 WeakPolarHBondContact O-CB 3.17Å; A21-N25 PolarHBondContact O-N 3.15Å; L22-N25 WeakPolarHBondContact O-CB 3.16Å; L22-N25 PolarHBondContact O-N 2.69Å; L22-N25 VanDerWaalsContact O-N 3.16Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.48Å; N25-I28 PolarHBondContact O-N 3.26Å; N25-I28 VanDerWaalsContact O-N 3.16Å; N25-F29 WeakPolarHBondContact ND2-CE2 3.49Å; N25-F29 WeakPolarHBondContact O-CD2 3.28Å; N25-F29 PolarHBondContact O-N 3.47Å; N25-S63 PolarHBondContact O-OG 3.06Å; N25-S63 WeakPolarHBondContact OD1-CA 3.14Å; N25-S63 PolarHBondContact OD1-OG 3.02Å; N25-Y66 HydrophobicContact CB-CD2 4.2Å; N25-Y66 HydrophobicContact CB-CE2 4.28Å; N25-Y66 HydrophobicContact CB-CG 4.38Å; N25-Y66 VanDerWaalsContact ND2-CD2 3.33Å; N25-Y66 WeakPolarHBondContact ND2-CD2 3.3Å
26Y88Confident81.4Confident61 Ų6162.2 Ų62.224%0.23932%0.317CS..Hα-helixtrans-60.3-40.4175.7-91.6-91.6000112.6L22 S23 I28 Y30 H31 L67L22-Y26 HydrophobicContact CD1-CD2 3.96Å; L22-Y26 HydrophobicContact CD1-CE2 3.7Å; L22-Y26 HydrophobicContact CG-CD2 4.05Å; L22-Y26 HydrophobicContact CG-CE2 4.12Å; L22-Y26 WeakPolarHBondContact O-CD2 3.19Å; L22-Y26 PolarHBondContact O-N 2.9Å; S23-Y26 PolarHBondContact O-N 2.95Å; Y26-I28 VanDerWaalsContact C-N 3.32Å; Y26-I28 PolarHBondContact O-N 2.91Å; Y26-Y30 HydrophobicContact CD1-CG 4.24Å; Y26-Y30 WeakPolarHBondContact O-CA 3.42Å; Y26-Y30 WeakPolarHBondContact O-CB 3.33Å; Y26-Y30 PolarHBondContact O-N 3.01Å; Y26-H31 PolarHBondContact O-N 3.12Å; Y26-L67 HydrophobicContact CE2-CB 4.45Å
27K85.5Confident79.7Confident128 Ų12866.1 Ų66.156%0.55734%0.338SS*.Hα-helixtrans-62.1-39.7175.7-75.5174.7-176.1175.90112.3S23 N24 N25S23-K27 WeakPolarHBondContact O-CG 3.38Å; S23-K27 PolarHBondContact O-N 2.88Å; N24-K27 PolarHBondContact O-N 3.43Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.48Å
28I81.1Confident77.9Confident59 Ų5968.4 Ų68.430%0.30335%0.352SS..Hα-helixtrans-75.1-40.6-176.9-68165.8000112.2N24 N25 Y26 K56N24-I28 WeakPolarHBondContact O-CD1 3.18Å; N24-I28 VanDerWaalsContact O-CG1 3.24Å; N24-I28 WeakPolarHBondContact O-CG1 3.31Å; N24-I28 PolarHBondContact O-N 2.78Å; N25-I28 PolarHBondContact O-N 3.26Å; N25-I28 VanDerWaalsContact O-N 3.16Å; Y26-I28 VanDerWaalsContact C-N 3.32Å; Y26-I28 PolarHBondContact O-N 2.91Å; I28-K56 HydrophobicContact CG2-CD 4.15Å
29F79.1Confident75.6Confident22 Ų2276.2 Ų76.210%0.09639%0.389CS..Hα-helixtrans-107.8-21.2-170.5-64.1-73.4000114.8N25 N59 A62 S63 E123N25-F29 WeakPolarHBondContact ND2-CE2 3.49Å; N25-F29 WeakPolarHBondContact O-CD2 3.28Å; N25-F29 PolarHBondContact O-N 3.47Å; F29-N59 HydrophobicContact CD1-CB 4.4Å; F29-A62 HydrophobicContact CD1-CB 4.48Å; F29-A62 HydrophobicContact CG-CB 4.34Å; F29-S63 WeakPolarHBondContact CB-OG 3.22Å; F29-E123 HydrophobicContact CE2-CG 4.11Å; F29-E123 VanDerWaalsContact CE2-OE1 3.28Å; F29-E123 WeakPolarHBondContact CE2-OE1 3.5Å; F29-E123 HydrophobicContact CZ-CG 4.01Å; F29-E123 WeakPolarHBondContact CZ-OE1 3.19Å
30Y75.4Confident73.1Confident93 Ų9378 Ų7837%0.36541%0.406SS..THydrogen-bonded Turntrans-103.7-39.9-177.3-163-88.5000112.8Y26 R60Y26-Y30 HydrophobicContact CD1-CG 4.24Å; Y26-Y30 WeakPolarHBondContact O-CA 3.42Å; Y26-Y30 WeakPolarHBondContact O-CB 3.33Å; Y26-Y30 PolarHBondContact O-N 3.01Å; Y30-R60 HydrophobicContact CD2-CB 4.03Å; Y30-R60 HydrophobicContact CD2-CG 3.95Å; Y30-R60 HydrophobicContact CE2-CB 4.27Å; Y30-R60 HydrophobicContact CE2-CG 4.23Å
31H70.7Confident70.5Confident119 Ų11979.7 Ų79.755%0.55142%0.42SS*.SBendtrans-104.16.7-173.9-81.5-68.2000115Y26Y26-H31 PolarHBondContact O-N 3.12Å
32D68.7Low67.9Low57 Ų5783.5 Ų83.531%0.30545%0.446SS..  trans-62.1145.4178.6-166.334.4000111.1S34 C35D32-S34 PolarHBondContact O-N 3.15Å; D32-S34 VanDerWaalsContact O-N 3.14Å; D32-S34 PolarHBondContact OD2-OG 3.08Å; D32-C35 VanDerWaalsContact O-CB 3.26Å; D32-C35 WeakPolarHBondContact O-CB 3.26Å; D32-C35 PolarHBondContact O-N 2.99Å
33S63.5Low65.2Low86 Ų8688.9 Ų88.960%0.60148%0.48SS*.G310 helixtrans-61.9-25.1-175.9540000112.5C35 Q36S33-C35 PolarHBondContact O-N 3.42Å; S33-Q36 PolarHBondContact O-N 2.8Å
34S61.9Low62.6Low37 Ų3791.4 Ų91.426%0.25950%0.497SS..G310 helixtrans-60.6-28.7170.261.30000113.4D32 T37D32-S34 PolarHBondContact O-N 3.15Å; D32-S34 VanDerWaalsContact O-N 3.14Å; D32-S34 PolarHBondContact OD2-OG 3.08Å; S34-T37 PolarHBondContact O-OG1 2.89Å
35C61.5Low60.1Low4 Ų495.9 Ų95.93%0.02752%0.52CS..G310 helixtrans-81.3-17.9179.3-70.90000114.6D32 S33 C58 R60D32-C35 VanDerWaalsContact O-CB 3.26Å; D32-C35 WeakPolarHBondContact O-CB 3.26Å; D32-C35 PolarHBondContact O-N 2.99Å; S33-C35 PolarHBondContact O-N 3.42Å; C35-C58 WeakPolarHBondContact CA-SG 3.32Å; C35-C58 HydrophobicContact CB-CB 4.02Å; C35-C58 WeakPolarHBondContact CB-SG 3.13Å; C35-C58 VanDerWaalsContact SG-CA 3.54Å; C35-C58 WeakPolarHBondContact SG-CB 3.49Å; C35-C58 CovalentContact SG-SG 2.01Å; C35-C58 PolarHBondContact SG-SG 3.42Å; C35-R60 PolarHBondContact O-NH2 3.23Å; C35-R60 VanDerWaalsContact O-NH2 3.13Å
36Q61.7Low57.7Low145 Ų145102.6 Ų102.668%0.67856%0.556SS**THydrogen-bonded Turntrans-92.2-16.1-177.9-66.9-176.43.300112.8S33S33-Q36 PolarHBondContact O-N 2.8Å
37T58.7Low55Low113 Ų113108.9 Ų108.969%0.69358%0.584SS**SBendtrans-94.9-5.5-17748.80000114S34 E39S34-T37 PolarHBondContact O-OG1 2.89Å; T37-E39 VanDerWaalsContact C-N 3.29Å; T37-E39 PolarHBondContact O-N 3.11Å
38L54.4Low52.7Low147 Ų147108.4 Ų108.477%0.7759%0.593SS**  trans-8758.8173-101.1118.2000111.7
39E43.7Very low50.3Low164 Ų164110.9 Ų110.977%0.76661%0.61SS**  trans-95.7131.2152.1-88.1-169.6152.500108.2T37 N41T37-E39 VanDerWaalsContact C-N 3.29Å; T37-E39 PolarHBondContact O-N 3.11Å; E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.46Å
40P40.9Very low48Very low127 Ų127118.2 Ų118.283%0.82565%0.645SS**  trans-82.476.8-168.235.3-34.2000110.4
41N38.1Very low45.7Very low146 Ų146123.4 Ų123.478%0.78167%0.669SS**  trans-108.990.1163.3-86.8-14.3000109.6E39E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.46Å
42S35.1Very low43.6Very low93 Ų93123.7 Ų123.765%0.6569%0.685SS**  trans44.7120.8135.461.30000118.8
43T35.1Very low41.8Very low134 Ų134126.2 Ų126.282%0.82271%0.707SS**  trans108.6128.7144.771.60000119.2
44S37.4Very low40.4Very low106 Ų106130.9 Ų130.974%0.74172%0.719SS**  trans8087.616670.90000118.6N46S44-N46 PolarHBondContact O-N 3.17Å
45I36Very low39.5Very low166 Ų166133.7 Ų133.785%0.85175%0.745SS**  trans-64.5107.5149.4-63167.7000106.9
46N34.7Very low39.1Very low147 Ų147139.2 Ų139.279%0.78677%0.769SS**  trans-125.6104.9157.9-91.8-12.5000108.1S44 T48S44-N46 PolarHBondContact O-N 3.17Å; N46-T48 PolarHBondContact O-N 3.08Å
47F32.1Very low39Very low193 Ų193137.6 Ų137.685%0.84676%0.761SS**  trans-80.3102.2178-167.8-93.6000108.7
48T37.3Very low39.6Very low119 Ų119134.1 Ų134.173%0.7374%0.741SS**  trans-132.1102.4163.550.90000109.5N46N46-T48 PolarHBondContact O-N 3.08Å
49T31.1Very low40.6Very low110 Ų110129.2 Ų129.268%0.67572%0.716SS**  trans22.8132.5133.211.20000119.5
50E29.6Very low42.4Very low176 Ų176127.2 Ų127.282%0.82270%0.701SS**  trans88.678.3151.6-61.4178-176.800119.3
51K27.6Very low44.5Very low202 Ų202127.6 Ų127.688%0.87869%0.692SS**  173.189.6120-94.3172-176.8174.80110.2S53K51-S53 PolarHBondContact O-N 3.13Å
52S26.2Very low46.7Very low126 Ų126121 Ų12188%0.88166%0.658SS**  trans-78.481.6173.457.20000111
53S32Very low49.2Very low110 Ų110116.6 Ų116.677%0.76963%0.627SS**  trans-10387.9159-66.30000107.5K51 A55K51-S53 PolarHBondContact O-N 3.13Å; S53-A55 PolarHBondContact O-N 3.24Å; S53-A55 VanDerWaalsContact O-N 3.07Å
54Q34.4Very low51.8Low183 Ų183114.9 Ų114.986%0.85561%0.612SS**  trans16.977.1169.3-71179.6-19.800115.5K56Q54-K56 PolarHBondContact O-N 3.1Å
55A41.2Very low54.4Low97 Ų97110.3 Ų110.380%0.80258%0.579SS**  trans-63.7108.4159.400000106.7S53 E57S53-A55 PolarHBondContact O-N 3.24Å; S53-A55 VanDerWaalsContact O-N 3.07Å; A55-E57 PolarHBondContact O-N 3.47Å; A55-E57 VanDerWaalsContact O-N 3.16Å
56K54.7Low57Low119 Ų119103 Ų10352%0.51754%0.54SS..  trans-64.1115.4177.5-71.6-179.8177.7-178.50107.4I28 Q54 C58I28-K56 HydrophobicContact CG2-CD 4.15Å; Q54-K56 PolarHBondContact O-N 3.1Å; K56-C58 PolarHBondContact O-N 3.33Å
57E59.5Low59.8Low111 Ų11198.6 Ų98.652%0.51952%0.517SS..  trans-57136.5178.2-72.7164.6-175.600110.7A55 N59 K121A55-E57 PolarHBondContact O-N 3.47Å; A55-E57 VanDerWaalsContact O-N 3.16Å; E57-N59 VanDerWaalsContact C-N 3.34Å; E57-N59 PolarHBondContact O-N 2.93Å; E57-K121 VanDerWaalsContact CD-NZ 3.31Å; E57-K121 IonicContact OE1-NZ 3.73Å; E57-K121 PolarHBondContact OE1-NZ 2.84Å; E57-K121 IonicContact OE2-NZ 3.56Å; E57-K121 PolarHBondContact OE2-NZ 2.88Å
58C70.1Confident62.7Low41 Ų4193.5 Ų93.528%0.27750%0.498SS..  trans-66.288.5174.2178.90000110.6C35 K56C35-C58 WeakPolarHBondContact CA-SG 3.32Å; C35-C58 HydrophobicContact CB-CB 4.02Å; C35-C58 WeakPolarHBondContact CB-SG 3.13Å; C35-C58 VanDerWaalsContact SG-CA 3.54Å; C35-C58 WeakPolarHBondContact SG-CB 3.49Å; C35-C58 CovalentContact SG-SG 2.01Å; C35-C58 PolarHBondContact SG-SG 3.42Å; K56-C58 PolarHBondContact O-N 3.33Å
59N76Confident65.3Low44 Ų4487.9 Ų87.924%0.23546%0.464CS..  trans-107.174.3-177.8-67.5-25.5000110.5F29 E57 E61 A62F29-N59 HydrophobicContact CD1-CB 4.4Å; E57-N59 VanDerWaalsContact C-N 3.34Å; E57-N59 PolarHBondContact O-N 2.93Å; N59-E61 PolarHBondContact O-N 2.94Å; N59-E61 VanDerWaalsContact O-N 3.15Å; N59-A62 HydrophobicContact CB-CB 4.11Å; N59-A62 VanDerWaalsContact O-CB 3.27Å; N59-A62 WeakPolarHBondContact O-CB 3.45Å; N59-A62 PolarHBondContact O-N 3.3Å
60R80.9Confident68.4Low121 Ų12182.9 Ų82.946%0.45743%0.432SS..Hα-helixtrans-56-31.8177.8-64.4-176.3-176.4172.13.6112.6Y30 C35 A62 S63 I64Y30-R60 HydrophobicContact CD2-CB 4.03Å; Y30-R60 HydrophobicContact CD2-CG 3.95Å; Y30-R60 HydrophobicContact CE2-CB 4.27Å; Y30-R60 HydrophobicContact CE2-CG 4.23Å; C35-R60 PolarHBondContact O-NH2 3.23Å; C35-R60 VanDerWaalsContact O-NH2 3.13Å; R60-A62 PolarHBondContact O-N 3.41Å; R60-S63 PolarHBondContact O-N 3.08Å; R60-I64 PolarHBondContact O-N 3.28Å
61E85.4Confident71.5Confident136 Ų13678.4 Ų78.464%0.63641%0.414SS*.Hα-helixtrans-61.1-31.4176.3-58.9179.5-177.700112.6N59 I64 L65 V120N59-E61 PolarHBondContact O-N 2.94Å; N59-E61 VanDerWaalsContact O-N 3.15Å; E61-I64 PolarHBondContact O-N 3.17Å; E61-L65 WeakPolarHBondContact O-CB 3.2Å; E61-L65 PolarHBondContact O-N 3.02Å; E61-V120 HydrophobicContact CB-CG1 4.5Å; E61-V120 HydrophobicContact CB-CG2 4.34Å
62A85.2Confident74.7Confident8 Ų869.5 Ų69.57%0.06638%0.379CS..Hα-helixtrans-65.6-40.9-179.700000111.9F29 N59 R60 L65 Y66 V120F29-A62 HydrophobicContact CD1-CB 4.48Å; F29-A62 HydrophobicContact CG-CB 4.34Å; N59-A62 HydrophobicContact CB-CB 4.11Å; N59-A62 VanDerWaalsContact O-CB 3.27Å; N59-A62 WeakPolarHBondContact O-CB 3.45Å; N59-A62 PolarHBondContact O-N 3.3Å; R60-A62 PolarHBondContact O-N 3.41Å; A62-L65 PolarHBondContact O-N 2.85Å; A62-Y66 WeakPolarHBondContact O-CB 3.18Å; A62-Y66 PolarHBondContact O-N 2.95Å; A62-V120 HydrophobicContact CB-CG1 4Å
63S87.2Confident78Confident0 Ų063.7 Ų63.70%034%0.339CS..Hα-helixtrans-70.3-37177.9-61.80000112.9N25 F29 R60 Y66 L67N25-S63 PolarHBondContact O-OG 3.06Å; N25-S63 WeakPolarHBondContact OD1-CA 3.14Å; N25-S63 PolarHBondContact OD1-OG 3.02Å; F29-S63 WeakPolarHBondContact CB-OG 3.22Å; R60-S63 PolarHBondContact O-N 3.08Å; S63-Y66 WeakPolarHBondContact O-CB 3.21Å; S63-Y66 PolarHBondContact O-N 3.37Å; S63-L67 PolarHBondContact O-N 2.78Å
64I89.7Confident80.9Confident97 Ų9760.5 Ų60.550%0.49731%0.313SS..Hα-helixtrans-66.3-44.3175.8-61.9170.9000109.9R60 E61 Y66 L67 L68R60-I64 PolarHBondContact O-N 3.28Å; E61-I64 PolarHBondContact O-N 3.17Å; I64-Y66 VanDerWaalsContact C-N 3.3Å; I64-Y66 PolarHBondContact O-N 3.36Å; I64-L67 PolarHBondContact O-N 2.98Å; I64-L68 WeakPolarHBondContact O-CB 3.47Å; I64-L68 PolarHBondContact O-N 3.49Å
65L90.7Very high83.9Confident10 Ų1059.7 Ų59.75%0.05230%0.302CS..Hα-helixtrans-64.2-36.4175.5-176.761.8000111.8E61 A62 L68 L69 F117 V120 I122E61-L65 WeakPolarHBondContact O-CB 3.2Å; E61-L65 PolarHBondContact O-N 3.02Å; A62-L65 PolarHBondContact O-N 2.85Å; L65-L68 HydrophobicContact CD1-CD2 4.38Å; L65-L68 PolarHBondContact O-N 3.35Å; L65-L69 HydrophobicContact CD1-CD1 4.14Å; L65-L69 HydrophobicContact CD1-CG 4.09Å; L65-L69 HydrophobicContact CG-CD1 3.93Å; L65-L69 HydrophobicContact CG-CG 4.33Å; L65-L69 WeakPolarHBondContact O-CB 3.26Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 2.95Å; L65-L69 PolarHBondContact O-N 2.94Å; L65-F117 HydrophobicContact CD1-CB 4.08Å; L65-F117 HydrophobicContact CD1-CD1 4.08Å; L65-F117 HydrophobicContact CD1-CD2 3.44Å; L65-F117 VanDerWaalsContact CD1-CD2 3.44Å; L65-F117 HydrophobicContact CD1-CE1 4.38Å; L65-F117 HydrophobicContact CD1-CE2 3.78Å; L65-F117 HydrophobicContact CD1-CG 3.59Å; L65-F117 HydrophobicContact CD1-CZ 4.24Å; L65-F117 HydrophobicContact CD2-CB 3.6Å; L65-F117 HydrophobicContact CD2-CG 4.02Å; L65-F117 HydrophobicContact CG-CG 4.48Å; L65-V120 HydrophobicContact CD2-CB 3.77Å; L65-V120 HydrophobicContact CD2-CG1 3.8Å; L65-V120 HydrophobicContact CD2-CG2 4.22Å; L65-I122 HydrophobicContact CD2-CD1 3.77Å; L65-I122 HydrophobicContact CD2-CG1 3.76Å
66Y91.4Very high86.4Confident12 Ų1256.2 Ų56.25%0.04727%0.27CS..Hα-helixtrans-57.8-51.2173.6-163.3-76.4000111.1L22 N25 A62 S63 I64 L68 L69 M70 D275L22-Y66 HydrophobicContact CB-CE1 4.44Å; L22-Y66 HydrophobicContact CD1-CD1 3.55Å; L22-Y66 HydrophobicContact CD1-CE1 4.08Å; N25-Y66 HydrophobicContact CB-CD2 4.2Å; N25-Y66 HydrophobicContact CB-CE2 4.28Å; N25-Y66 HydrophobicContact CB-CG 4.38Å; N25-Y66 VanDerWaalsContact ND2-CD2 3.33Å; N25-Y66 WeakPolarHBondContact ND2-CD2 3.3Å; A62-Y66 WeakPolarHBondContact O-CB 3.18Å; A62-Y66 PolarHBondContact O-N 2.95Å; S63-Y66 WeakPolarHBondContact O-CB 3.21Å; S63-Y66 PolarHBondContact O-N 3.37Å; I64-Y66 VanDerWaalsContact C-N 3.3Å; I64-Y66 PolarHBondContact O-N 3.36Å; Y66-L68 VanDerWaalsContact C-N 3.35Å; Y66-L68 PolarHBondContact O-N 2.94Å; Y66-L69 PolarHBondContact O-N 2.96Å; Y66-M70 VanDerWaalsContact O-CB 3.25Å; Y66-M70 WeakPolarHBondContact O-CB 3.34Å; Y66-M70 PolarHBondContact O-N 3.31Å; Y66-D275 PolarHBondContact OH-OD2 3.36Å
67L92.8Very high88.2Confident56 Ų5650.6 Ų50.629%0.29325%0.245SC..Hα-helixtrans-60.3-44.7177.5-176.573.2000111.4L22 Y26 S63 I64 M70 L71L22-L67 HydrophobicContact CD1-CB 4.28Å; L22-L67 HydrophobicContact CD1-CD1 4.02Å; L22-L67 HydrophobicContact CD2-CD1 3.83Å; Y26-L67 HydrophobicContact CE2-CB 4.45Å; S63-L67 PolarHBondContact O-N 2.78Å; I64-L67 PolarHBondContact O-N 2.98Å; L67-M70 HydrophobicContact CD1-CE 4.12Å; L67-M70 PolarHBondContact O-N 2.88Å; L67-L71 HydrophobicContact CD1-CD1 3.93Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 4.03Å; L67-L71 WeakPolarHBondContact O-CB 2.96Å; L67-L71 PolarHBondContact O-N 3.49Å
68L93.7Very high89.7Confident86 Ų8647 Ų4745%0.4523%0.233SC..Hα-helixtrans-62.9-44.4-179.9-177.3142.9000112I64 L65 Y66 G72I64-L68 WeakPolarHBondContact O-CB 3.47Å; I64-L68 PolarHBondContact O-N 3.49Å; L65-L68 HydrophobicContact CD1-CD2 4.38Å; L65-L68 PolarHBondContact O-N 3.35Å; Y66-L68 VanDerWaalsContact C-N 3.35Å; Y66-L68 PolarHBondContact O-N 2.94Å; L68-G72 VanDerWaalsContact O-CA 3.3Å; L68-G72 WeakPolarHBondContact O-CA 3.22Å; L68-G72 PolarHBondContact O-N 2.88Å
69L93.1Very high90.7Very high1 Ų149.6 Ų49.61%0.00524%0.239CC..Hα-helixtrans-68.9-40177.7-70.8172.2000111.8L65 Y66 T73 M109 I122 P270 S272 V273L65-L69 HydrophobicContact CD1-CD1 4.14Å; L65-L69 HydrophobicContact CD1-CG 4.09Å; L65-L69 HydrophobicContact CG-CD1 3.93Å; L65-L69 HydrophobicContact CG-CG 4.33Å; L65-L69 WeakPolarHBondContact O-CB 3.26Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 2.95Å; L65-L69 PolarHBondContact O-N 2.94Å; Y66-L69 PolarHBondContact O-N 2.96Å; L69-T73 WeakPolarHBondContact O-CB 3.29Å; L69-T73 VanDerWaalsContact O-CG2 3.32Å; L69-T73 WeakPolarHBondContact O-CG2 3.3Å; L69-T73 PolarHBondContact O-N 3.16Å; L69-T73 PolarHBondContact O-OG1 3.4Å; L69-M109 HydrophobicContact CD2-CB 4.4Å; L69-M109 WeakPolarHBondContact CD2-O 3.47Å; L69-I122 HydrophobicContact CD1-CD1 4.42Å; L69-P270 HydrophobicContact CD1-CB 4.26Å; L69-P270 HydrophobicContact CD1-CG 4.25Å; L69-S272 WeakPolarHBondContact CB-OG 3.32Å; L69-S272 WeakPolarHBondContact CD1-OG 3.33Å; L69-V273 HydrophobicContact CB-CG2 4.27Å
70M94.2Very high91.5Very high4 Ų448.1 Ų48.12%0.0223%0.232CC..Hα-helixtrans-66.3-45.7178.7-172.8-163.97300112.1L22 Y66 L67 T73 L74 S272 D275 G276 L279L22-M70 HydrophobicContact CB-SD 4.34Å; L22-M70 HydrophobicContact CD1-CE 4.41Å; L22-M70 HydrophobicContact CD1-SD 4.36Å; L22-M70 HydrophobicContact CD2-CE 3.91Å; L22-M70 HydrophobicContact CD2-SD 4.42Å; Y66-M70 VanDerWaalsContact O-CB 3.25Å; Y66-M70 WeakPolarHBondContact O-CB 3.34Å; Y66-M70 PolarHBondContact O-N 3.31Å; L67-M70 HydrophobicContact CD1-CE 4.12Å; L67-M70 PolarHBondContact O-N 2.88Å; M70-T73 PolarHBondContact O-OG1 3.13Å; M70-L74 PolarHBondContact O-N 3.48Å; M70-S272 WeakPolarHBondContact CA-O 3.44Å; M70-D275 HydrophobicContact CG-CB 4.17Å; M70-D275 HydrophobicContact SD-CB 4.42Å; M70-G276 WeakPolarHBondContact O-CA 3.15Å; M70-L279 HydrophobicContact CE-CD1 3.85Å; M70-L279 HydrophobicContact CG-CD1 3.87Å; M70-L279 HydrophobicContact SD-CD1 3.85Å
71L95.6Very high91.7Very high82 Ų8243.7 Ų43.743%0.42922%0.215SC..Hα-helixtrans-76.4-33176.3-66.9179.7000112.1L67 L74 W75L67-L71 HydrophobicContact CD1-CD1 3.93Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 4.03Å; L67-L71 WeakPolarHBondContact O-CB 2.96Å; L67-L71 PolarHBondContact O-N 3.49Å; L71-L74 PolarHBondContact O-N 3.07Å; L71-W75 VanDerWaalsContact O-CB 3.29Å; L71-W75 WeakPolarHBondContact O-CB 3.38Å; L71-W75 PolarHBondContact O-N 3.34Å
72G95.3Very high91.7Very high15 Ų1540.9 Ų40.916%0.15521%0.205CC..Hα-helixtrans-64.5-40.4177.500000112.7L68 L76L68-G72 VanDerWaalsContact O-CA 3.3Å; L68-G72 WeakPolarHBondContact O-CA 3.22Å; L68-G72 PolarHBondContact O-N 2.88Å; G72-L76 WeakPolarHBondContact O-CB 3.27Å; G72-L76 PolarHBondContact O-N 2.98Å
73T94.5Very high91.7Very high5 Ų543.1 Ų43.13%0.03121%0.213CC..Hα-helixtrans-64.7-46.1172.542.30000112.1L69 M70 G77 M109 V273 G276L69-T73 WeakPolarHBondContact O-CB 3.29Å; L69-T73 VanDerWaalsContact O-CG2 3.32Å; L69-T73 WeakPolarHBondContact O-CG2 3.3Å; L69-T73 PolarHBondContact O-N 3.16Å; L69-T73 PolarHBondContact O-OG1 3.4Å; M70-T73 PolarHBondContact O-OG1 3.13Å; T73-G77 PolarHBondContact O-N 3.26Å; T73-M109 HydrophobicContact CG2-CB 3.39Å; T73-M109 HydrophobicContact CG2-CG 3.48Å; T73-M109 VanDerWaalsContact CG2-CG 3.48Å; T73-V273 HydrophobicContact CG2-CB 4.07Å; T73-V273 HydrophobicContact CG2-CG1 3.72Å; T73-V273 HydrophobicContact CG2-CG2 4Å; T73-G276 VanDerWaalsContact OG1-CA 3.28Å; T73-G276 WeakPolarHBondContact OG1-CA 3.4Å
74L94.2Very high91.5Very high43 Ų4343.8 Ų43.823%0.22522%0.215CC..Hα-helixtrans-59.4-47.9176176.265.6000111.6M70 L71 S78 L279M70-L74 PolarHBondContact O-N 3.48Å; L71-L74 PolarHBondContact O-N 3.07Å; L74-S78 VanDerWaalsContact O-CB 3.26Å; L74-S78 WeakPolarHBondContact O-CB 3.37Å; L74-S78 PolarHBondContact O-N 2.76Å; L74-S78 PolarHBondContact O-OG 2.73Å; L74-L279 HydrophobicContact CD1-CB 4.16Å; L74-L279 HydrophobicContact CD2-CB 4.36Å
75W95.6Very high91Very high166 Ų16645.9 Ų45.963%0.62922%0.221SC*.Hα-helixtrans-65.3-49.4-179.5179.479.8000111.4L71 G77 S78 F79L71-W75 VanDerWaalsContact O-CB 3.29Å; L71-W75 WeakPolarHBondContact O-CB 3.38Å; L71-W75 PolarHBondContact O-N 3.34Å; W75-G77 PolarHBondContact O-N 3.07Å; W75-S78 PolarHBondContact O-N 3.04Å; W75-F79 WeakPolarHBondContact O-CB 3.4Å; W75-F79 PolarHBondContact O-N 3.38Å
76L94.9Very high90.7Very high23 Ų2347.2 Ų47.212%0.1223%0.23CC..Hα-helixtrans-63.1-44.2179.6-176.662.9000111.3G72 S78 F79 I80 A105 V108 M109G72-L76 WeakPolarHBondContact O-CB 3.27Å; G72-L76 PolarHBondContact O-N 2.98Å; L76-S78 PolarHBondContact O-N 2.94Å; L76-F79 PolarHBondContact O-N 2.87Å; L76-I80 HydrophobicContact CD1-CD1 3.98Å; L76-I80 HydrophobicContact CD1-CG1 4.22Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 HydrophobicContact CG-CG1 4.49Å; L76-I80 WeakPolarHBondContact O-CB 3.47Å; L76-I80 WeakPolarHBondContact O-CG1 3.2Å; L76-I80 PolarHBondContact O-N 3.25Å; L76-A105 HydrophobicContact CB-CB 4.31Å; L76-A105 HydrophobicContact CD2-CB 4.2Å; L76-A105 HydrophobicContact CG-CB 4.16Å; L76-V108 HydrophobicContact CD2-CB 3.74Å; L76-V108 HydrophobicContact CD2-CG1 3.71Å; L76-V108 HydrophobicContact CD2-CG2 4.37Å; L76-M109 HydrophobicContact CB-CE 4.29Å; L76-M109 HydrophobicContact CD2-CE 3.72Å; L76-M109 HydrophobicContact CD2-CG 4.41Å
77G92.6Very high90.3Very high1 Ų152.2 Ų52.21%0.0126%0.263CS..Hα-helixtrans-59.7-46.8175.700000112T73 W75 Y81 Y280T73-G77 PolarHBondContact O-N 3.26Å; W75-G77 PolarHBondContact O-N 3.07Å; G77-Y81 WeakPolarHBondContact O-CB 3.32Å; G77-Y81 PolarHBondContact O-N 3.26Å; G77-Y280 VanDerWaalsContact C-CE2 3.41Å
78S90.8Very high89.8Confident37 Ų3757.3 Ų57.326%0.25928%0.28SS..Hα-helixtrans-67.3-37.2178.6-57.20000112.6L74 W75 L76 N82L74-S78 VanDerWaalsContact O-CB 3.26Å; L74-S78 WeakPolarHBondContact O-CB 3.37Å; L74-S78 PolarHBondContact O-N 2.76Å; L74-S78 PolarHBondContact O-OG 2.73Å; W75-S78 PolarHBondContact O-N 3.04Å; L76-S78 PolarHBondContact O-N 2.94Å; S78-N82 VanDerWaalsContact O-CB 3.28Å; S78-N82 WeakPolarHBondContact O-CB 3.3Å; S78-N82 VanDerWaalsContact O-CG 3.27Å; S78-N82 PolarHBondContact O-N 3.06Å; S78-N82 PolarHBondContact O-ND2 3.39Å; S78-N82 VanDerWaalsContact O-ND2 3.16Å
79F91.8Very high89.4Confident94 Ų9458.2 Ų58.241%0.41229%0.285SS..Hα-helixtrans-62.6-53.9176.1179.9-124.3000110.1W75 L76 Y81 N82 F83W75-F79 WeakPolarHBondContact O-CB 3.4Å; W75-F79 PolarHBondContact O-N 3.38Å; L76-F79 PolarHBondContact O-N 2.87Å; F79-Y81 VanDerWaalsContact C-N 3.3Å; F79-Y81 PolarHBondContact O-N 2.88Å; F79-N82 PolarHBondContact O-N 3.45Å; F79-N82 VanDerWaalsContact O-N 3.12Å; F79-F83 HydrophobicContact CD1-CD2 4.37Å; F79-F83 AromaticContact CD1-CE2 3.57Å; F79-F83 HydrophobicContact CD1-CE2 3.57Å; F79-F83 HydrophobicContact CD1-CZ 4.46Å; F79-F83 HydrophobicContact CD2-CD2 4.46Å; F79-F83 AromaticContact CD2-CE2 3.79Å; F79-F83 HydrophobicContact CD2-CE2 3.79Å; F79-F83 HydrophobicContact CE1-CD2 4.42Å; F79-F83 AromaticContact CE1-CE2 3.27Å; F79-F83 HydrophobicContact CE1-CE2 3.27Å; F79-F83 AromaticContact CE1-CZ 3.74Å; F79-F83 HydrophobicContact CE1-CZ 3.74Å; F79-F83 HydrophobicContact CE2-CD2 4.46Å; F79-F83 AromaticContact CE2-CE2 3.47Å; F79-F83 HydrophobicContact CE2-CE2 3.47Å; F79-F83 VanDerWaalsContact CE2-CE2 3.47Å; F79-F83 AromaticContact CE2-CZ 3.8Å; F79-F83 HydrophobicContact CE2-CZ 3.8Å; F79-F83 HydrophobicContact CG-CD2 4.41Å; F79-F83 AromaticContact CG-CE2 3.84Å; F79-F83 HydrophobicContact CG-CE2 3.84Å; F79-F83 HydrophobicContact CZ-CD2 4.46Å; F79-F83 AromaticContact CZ-CE2 3.21Å; F79-F83 HydrophobicContact CZ-CE2 3.21Å; F79-F83 AromaticContact CZ-CZ 3.34Å; F79-F83 HydrophobicContact CZ-CZ 3.34Å; F79-F83 WeakPolarHBondContact O-CD2 3.42Å; F79-F83 PolarHBondContact O-N 2.85Å
80I91.3Very high89.1Confident14 Ų1462.1 Ų62.17%0.07231%0.309CS..Hα-helixtrans-58.7-42.4178.2-62.7170.3000110.9L76 F83 L97 A101 V104L76-I80 HydrophobicContact CD1-CD1 3.98Å; L76-I80 HydrophobicContact CD1-CG1 4.22Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 HydrophobicContact CG-CG1 4.49Å; L76-I80 WeakPolarHBondContact O-CB 3.47Å; L76-I80 WeakPolarHBondContact O-CG1 3.2Å; L76-I80 PolarHBondContact O-N 3.25Å; I80-F83 WeakPolarHBondContact O-CB 3.4Å; I80-F83 PolarHBondContact O-N 3.45Å; I80-L97 HydrophobicContact CG2-CD1 3.66Å; I80-L97 HydrophobicContact CG2-CD2 4.29Å; I80-L97 HydrophobicContact CG2-CG 3.56Å; I80-L97 VanDerWaalsContact CG2-O 3.28Å; I80-L97 WeakPolarHBondContact CG2-O 3.37Å; I80-A101 HydrophobicContact CB-CB 3.82Å; I80-A101 HydrophobicContact CG2-CB 3.54Å; I80-V104 HydrophobicContact CD1-CB 4.31Å; I80-V104 HydrophobicContact CD1-CG1 3.84Å
81Y86.2Confident88.7Confident27 Ų2769.8 Ų69.811%0.10634%0.337CS..Hα-helixtrans-62.6-44.4175.4-178.2-98.7000112.5G77 F79 F83 R84 R219G77-Y81 WeakPolarHBondContact O-CB 3.32Å; G77-Y81 PolarHBondContact O-N 3.26Å; F79-Y81 VanDerWaalsContact C-N 3.3Å; F79-Y81 PolarHBondContact O-N 2.88Å; Y81-F83 PolarHBondContact O-N 3.34Å; Y81-R84 VanDerWaalsContact O-CB 3.31Å; Y81-R84 WeakPolarHBondContact O-CB 3.15Å; Y81-R84 PolarHBondContact O-N 3.09Å; Y81-R84 VanDerWaalsContact O-N 3.14Å; Y81-R84 PolarHBondContact OH-NH2 3.42Å; Y81-R219 PolarHBondContact OH-NH2 2.91Å
82N85.6Confident88.1Confident78 Ų7869 Ų6942%0.41734%0.343SS..Hα-helixtrans-69.3-18.3178.7-77-33.4000113.6S78 F79 R84 K85S78-N82 VanDerWaalsContact O-CB 3.28Å; S78-N82 WeakPolarHBondContact O-CB 3.3Å; S78-N82 VanDerWaalsContact O-CG 3.27Å; S78-N82 PolarHBondContact O-N 3.06Å; S78-N82 PolarHBondContact O-ND2 3.39Å; S78-N82 VanDerWaalsContact O-ND2 3.16Å; F79-N82 PolarHBondContact O-N 3.45Å; F79-N82 VanDerWaalsContact O-N 3.12Å; N82-R84 PolarHBondContact O-N 3.45Å; N82-K85 PolarHBondContact O-N 2.95Å
83F85.4Confident87.8Confident55 Ų5574.6 Ų74.624%0.24136%0.363CS..G310 helixtrans-55.8-24.2169.6-90.2-87.8000112.4F79 I80 Y81 K85 T86 R94 L97F79-F83 HydrophobicContact CD1-CD2 4.37Å; F79-F83 AromaticContact CD1-CE2 3.57Å; F79-F83 HydrophobicContact CD1-CE2 3.57Å; F79-F83 HydrophobicContact CD1-CZ 4.46Å; F79-F83 HydrophobicContact CD2-CD2 4.46Å; F79-F83 AromaticContact CD2-CE2 3.79Å; F79-F83 HydrophobicContact CD2-CE2 3.79Å; F79-F83 HydrophobicContact CE1-CD2 4.42Å; F79-F83 AromaticContact CE1-CE2 3.27Å; F79-F83 HydrophobicContact CE1-CE2 3.27Å; F79-F83 AromaticContact CE1-CZ 3.74Å; F79-F83 HydrophobicContact CE1-CZ 3.74Å; F79-F83 HydrophobicContact CE2-CD2 4.46Å; F79-F83 AromaticContact CE2-CE2 3.47Å; F79-F83 HydrophobicContact CE2-CE2 3.47Å; F79-F83 VanDerWaalsContact CE2-CE2 3.47Å; F79-F83 AromaticContact CE2-CZ 3.8Å; F79-F83 HydrophobicContact CE2-CZ 3.8Å; F79-F83 HydrophobicContact CG-CD2 4.41Å; F79-F83 AromaticContact CG-CE2 3.84Å; F79-F83 HydrophobicContact CG-CE2 3.84Å; F79-F83 HydrophobicContact CZ-CD2 4.46Å; F79-F83 AromaticContact CZ-CE2 3.21Å; F79-F83 HydrophobicContact CZ-CE2 3.21Å; F79-F83 AromaticContact CZ-CZ 3.34Å; F79-F83 HydrophobicContact CZ-CZ 3.34Å; F79-F83 WeakPolarHBondContact O-CD2 3.42Å; F79-F83 PolarHBondContact O-N 2.85Å; I80-F83 WeakPolarHBondContact O-CB 3.4Å; I80-F83 PolarHBondContact O-N 3.45Å; Y81-F83 PolarHBondContact O-N 3.34Å; F83-K85 PolarHBondContact O-N 2.86Å; F83-T86 HydrophobicContact CD1-CG2 4.42Å; F83-T86 PolarHBondContact O-N 3.08Å; F83-T86 PolarHBondContact O-OG1 3.07Å; F83-R94 VanDerWaalsContact O-CD 3.31Å; F83-R94 WeakPolarHBondContact O-CD 3.42Å; F83-L97 HydrophobicContact CB-CD2 4.42Å
84R82.2Confident87.4Confident14 Ų1476.5 Ų76.55%0.05337%0.37CS..G310 helixtrans-54.3-33.8173.3-166.5176.166.4-146.4-8.2113.6Y81 N82 R94 A98 E235Y81-R84 VanDerWaalsContact O-CB 3.31Å; Y81-R84 WeakPolarHBondContact O-CB 3.15Å; Y81-R84 PolarHBondContact O-N 3.09Å; Y81-R84 VanDerWaalsContact O-N 3.14Å; Y81-R84 PolarHBondContact OH-NH2 3.42Å; N82-R84 PolarHBondContact O-N 3.45Å; R84-R94 HydrophobicContact CB-CG 4.43Å; R84-R94 HydrophobicContact CG-CG 4.5Å; R84-R94 WeakPolarHBondContact O-CD 3.32Å; R84-R94 PolarHBondContact O-NE 3.07Å; R84-R94 PolarHBondContact O-NH1 3.26Å; R84-R94 PolarHBondContact O-NH2 3.29Å; R84-A98 HydrophobicContact CB-CB 4.3Å; R84-E235 IonicContact CZ-OE1 2.64Å; R84-E235 IonicContact CZ-OE2 2.99Å; R84-E235 IonicContact NE-OE1 3.58Å; R84-E235 IonicContact NH2-OE1 3.59Å; R84-E235 PolarHBondContact NH2-OE1 2.84Å; R84-E235 IonicContact NH2-OE2 2.9Å; R84-E235 PolarHBondContact NH2-OE2 3.45Å
85K79.6Confident86.9Confident141 Ų14176.9 Ų76.961%0.61337%0.37SS*.G310 helixtrans-85.2-13.4-179.6-61.6-178.5179.9179.10113.1N82 F83N82-K85 PolarHBondContact O-N 2.95Å; F83-K85 PolarHBondContact O-N 2.86Å
86T84Confident86.5Confident38 Ų3873.6 Ų73.623%0.23336%0.364CS..SBendtrans-80.1149.3-177.570.30000111.4F83 Y88 R94F83-T86 HydrophobicContact CD1-CG2 4.42Å; F83-T86 PolarHBondContact O-N 3.08Å; F83-T86 PolarHBondContact O-OG1 3.07Å; T86-Y88 PolarHBondContact O-N 2.92Å; T86-R94 PolarHBondContact O-NH1 3.44Å
87P82.3Confident86.2Confident117 Ų11775.2 Ų75.276%0.7637%0.372SS*.SBendtrans-76.3-1.7177.832.5-36.5000113.2
88Y83.4Confident85.8Confident162 Ų16275.5 Ų75.564%0.63538%0.375SS*.  trans-80.1144-179.9-56-67.3000110.7T86T86-Y88 PolarHBondContact O-N 2.92Å
89L84.9Confident85.5Confident105 Ų10577.9 Ų77.955%0.5539%0.385SS..SBendtrans70.2157.7-176.3-70.570.1000115.4K93L89-K93 HydrophobicContact CD2-CB 4.2Å
90T87.6Confident85.4Confident84 Ų8480.3 Ų80.352%0.51539%0.392SS..  trans-65.2143.5171.652.70000111.1A92 K93 R94T90-A92 VanDerWaalsContact C-N 3.28Å; T90-A92 PolarHBondContact O-N 3.45Å; T90-A92 VanDerWaalsContact O-N 3.11Å; T90-K93 PolarHBondContact O-N 2.87Å; T90-K93 WeakPolarHBondContact OG1-CD 3.4Å; T90-K93 VanDerWaalsContact OG1-CG 3.28Å; T90-K93 WeakPolarHBondContact OG1-CG 3.44Å; T90-R94 PolarHBondContact O-N 3.3Å; T90-R94 VanDerWaalsContact O-N 3.15Å
91R84Confident85.3Confident164 Ų16479.6 Ų79.662%0.61939%0.389SS*.Hα-helixtrans-45.2-45.9-179.5-173.5177.7179.3-175.2-1.3114R94 E95R91-R94 PolarHBondContact O-N 3.46Å; R91-E95 PolarHBondContact O-N 3.29Å
92A84.7Confident85.3Confident67 Ų6780 Ų8055%0.55439%0.393SS*.Hα-helixtrans-63.8-45.7-178.900000113.3T90 R94 E95 I96T90-A92 VanDerWaalsContact C-N 3.28Å; T90-A92 PolarHBondContact O-N 3.45Å; T90-A92 VanDerWaalsContact O-N 3.11Å; A92-R94 VanDerWaalsContact C-N 3.26Å; A92-R94 PolarHBondContact O-N 3.4Å; A92-E95 PolarHBondContact O-N 2.94Å; A92-I96 VanDerWaalsContact O-CG1 3.32Å; A92-I96 WeakPolarHBondContact O-CG1 3.26Å; A92-I96 PolarHBondContact O-N 2.69Å; A92-I96 VanDerWaalsContact O-N 3.11Å
93K88.3Confident85.5Confident131 Ų13179.7 Ų79.757%0.5740%0.395SS*.Hα-helixtrans-64.2-35.7178.2-67.8-179-176-178.70111.8L89 T90 L97L89-K93 HydrophobicContact CD2-CB 4.2Å; T90-K93 PolarHBondContact O-N 2.87Å; T90-K93 WeakPolarHBondContact OG1-CD 3.4Å; T90-K93 VanDerWaalsContact OG1-CG 3.28Å; T90-K93 WeakPolarHBondContact OG1-CG 3.44Å; K93-L97 VanDerWaalsContact O-CB 3.26Å; K93-L97 WeakPolarHBondContact O-CB 3.46Å; K93-L97 PolarHBondContact O-N 2.87Å
94R86.8Confident85.8Confident46 Ų4679.7 Ų79.717%0.17440%0.399CS..Hα-helixtrans-68.8-40179.4-173.8177.973-179.87.6112.1F83 R84 T86 T90 R91 A92 L97 A98F83-R94 VanDerWaalsContact O-CD 3.31Å; F83-R94 WeakPolarHBondContact O-CD 3.42Å; R84-R94 HydrophobicContact CB-CG 4.43Å; R84-R94 HydrophobicContact CG-CG 4.5Å; R84-R94 WeakPolarHBondContact O-CD 3.32Å; R84-R94 PolarHBondContact O-NE 3.07Å; R84-R94 PolarHBondContact O-NH1 3.26Å; R84-R94 PolarHBondContact O-NH2 3.29Å; T86-R94 PolarHBondContact O-NH1 3.44Å; T90-R94 PolarHBondContact O-N 3.3Å; T90-R94 VanDerWaalsContact O-N 3.15Å; R91-R94 PolarHBondContact O-N 3.46Å; A92-R94 VanDerWaalsContact C-N 3.26Å; A92-R94 PolarHBondContact O-N 3.4Å; R94-L97 PolarHBondContact O-N 3.19Å; R94-A98 WeakPolarHBondContact O-CB 3.38Å; R94-A98 PolarHBondContact O-N 3.05Å
95E83Confident86.4Confident51 Ų5179.1 Ų79.124%0.23840%0.397CS..Hα-helixtrans-64.1-49.8174.5-159.863.9-164.300111.1R91 A92 L97 A98 D99R91-E95 PolarHBondContact O-N 3.29Å; A92-E95 PolarHBondContact O-N 2.94Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.47Å; E95-A98 PolarHBondContact O-N 3.48Å; E95-D99 PolarHBondContact O-N 2.91Å
96I87Confident86.9Confident96 Ų9673.4 Ų73.449%0.49237%0.374SS..Hα-helixtrans-54.5-45.8175.7-68.8167.9000110.8A92 A98 D99 Y100A92-I96 VanDerWaalsContact O-CG1 3.32Å; A92-I96 WeakPolarHBondContact O-CG1 3.26Å; A92-I96 PolarHBondContact O-N 2.69Å; A92-I96 VanDerWaalsContact O-N 3.11Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.29Å; I96-D99 PolarHBondContact O-N 2.99Å; I96-Y100 HydrophobicContact CG2-CD2 3.7Å; I96-Y100 HydrophobicContact CG2-CE2 3.89Å; I96-Y100 WeakPolarHBondContact O-CD2 3.49Å; I96-Y100 PolarHBondContact O-N 3.01Å
97L88.7Confident87.3Confident57 Ų5778 Ų7830%0.29840%0.395SS..Hα-helixtrans-64.2-39.1179.8-178.463.6000112.1I80 F83 K93 R94 E95 A101I80-L97 HydrophobicContact CG2-CD1 3.66Å; I80-L97 HydrophobicContact CG2-CD2 4.29Å; I80-L97 HydrophobicContact CG2-CG 3.56Å; I80-L97 VanDerWaalsContact CG2-O 3.28Å; I80-L97 WeakPolarHBondContact CG2-O 3.37Å; F83-L97 HydrophobicContact CB-CD2 4.42Å; K93-L97 VanDerWaalsContact O-CB 3.26Å; K93-L97 WeakPolarHBondContact O-CB 3.46Å; K93-L97 PolarHBondContact O-N 2.87Å; R94-L97 PolarHBondContact O-N 3.19Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.47Å; L97-A101 WeakPolarHBondContact O-CA 3.37Å; L97-A101 PolarHBondContact O-N 2.94Å
98A84.2Confident87.8Confident8 Ų875.5 Ų75.57%0.06638%0.377CS..Hα-helixtrans-68.4-40177.300000112.2R84 R94 E95 I96 A101R84-A98 HydrophobicContact CB-CB 4.3Å; R94-A98 WeakPolarHBondContact O-CB 3.38Å; R94-A98 PolarHBondContact O-N 3.05Å; E95-A98 PolarHBondContact O-N 3.48Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.29Å; A98-A101 WeakPolarHBondContact O-CB 3.39Å; A98-A101 PolarHBondContact O-N 3.07Å
99D85Confident88.2Confident87 Ų8769 Ų6947%0.46535%0.353SS..Hα-helixtrans-65.9-39.4177.1-69-25.2000111.9E95 I96 A101E95-D99 PolarHBondContact O-N 2.91Å; I96-D99 PolarHBondContact O-N 2.99Å; D99-A101 VanDerWaalsContact C-N 3.33Å
100Y88.9Confident88.5Confident144 Ų14464.5 Ų64.557%0.56533%0.33SS*.THydrogen-bonded Turntrans-88.15.4176.8-69.1-65.8000114.1I96 L102 P103 V104I96-Y100 HydrophobicContact CG2-CD2 3.7Å; I96-Y100 HydrophobicContact CG2-CE2 3.89Å; I96-Y100 WeakPolarHBondContact O-CD2 3.49Å; I96-Y100 PolarHBondContact O-N 3.01Å; Y100-L102 PolarHBondContact O-N 3.19Å; Y100-L102 VanDerWaalsContact O-N 3.17Å; Y100-P103 WeakPolarHBondContact O-CD 3.48Å; Y100-V104 VanDerWaalsContact O-CB 3.31Å; Y100-V104 WeakPolarHBondContact O-CB 3.34Å; Y100-V104 WeakPolarHBondContact O-CG2 3.29Å; Y100-V104 PolarHBondContact O-N 3.19Å
101A89.1Confident88.6Confident0 Ų066.7 Ų66.70%033%0.332CS..Hα-helixtrans-53.3-42.5-176.600000112.4I80 L97 A98 D99 A105I80-A101 HydrophobicContact CB-CB 3.82Å; I80-A101 HydrophobicContact CG2-CB 3.54Å; L97-A101 WeakPolarHBondContact O-CA 3.37Å; L97-A101 PolarHBondContact O-N 2.94Å; A98-A101 WeakPolarHBondContact O-CB 3.39Å; A98-A101 PolarHBondContact O-N 3.07Å; D99-A101 VanDerWaalsContact C-N 3.33Å; A101-A105 VanDerWaalsContact O-CB 3.26Å; A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.07Å
102L86.6Confident88.8Confident36 Ų3660.6 Ų60.619%0.18831%0.314CS..Hα-helixtrans-72.6-54-175.8-178.468.8000113Y100 V104 A105 V106 L277 Y280Y100-L102 PolarHBondContact O-N 3.19Å; Y100-L102 VanDerWaalsContact O-N 3.17Å; L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 3.36Å; L102-A105 PolarHBondContact O-N 3.39Å; L102-V106 WeakPolarHBondContact O-CG2 3.23Å; L102-V106 PolarHBondContact O-N 3.31Å; L102-L277 HydrophobicContact CD1-CD1 3.21Å; L102-L277 HydrophobicContact CD1-CG 4.44Å; L102-L277 HydrophobicContact CD2-CD1 3.47Å; L102-L277 VanDerWaalsContact CD2-CD1 3.47Å; L102-L277 HydrophobicContact CG-CD1 3.64Å; L102-Y280 HydrophobicContact CB-CE1 4.19Å; L102-Y280 HydrophobicContact CD1-CD1 3.45Å; L102-Y280 VanDerWaalsContact CD1-CD1 3.45Å; L102-Y280 HydrophobicContact CD1-CE1 3.9Å; L102-Y280 HydrophobicContact CD1-CG 4.11Å; L102-Y280 HydrophobicContact CG-CD1 4.41Å; L102-Y280 HydrophobicContact CG-CE1 4.47Å
103P89.9Confident88.9Confident71 Ų7157.4 Ų57.446%0.46129%0.287SS..Hα-helixtrans-55.7-41.8172.2-26.833.4000113.4Y100 V106 M107Y100-P103 WeakPolarHBondContact O-CD 3.48Å; P103-V106 PolarHBondContact O-N 2.91Å; P103-M107 WeakPolarHBondContact O-CB 3.33Å; P103-M107 WeakPolarHBondContact O-CG 3.04Å; P103-M107 PolarHBondContact O-N 2.88Å
104V92.3Very high88.6Confident55 Ų5552.9 Ų52.933%0.33327%0.272SS..Hα-helixtrans-64.1-44.4179.5172.50000110.7I80 Y100 L102 V106 M107 V108I80-V104 HydrophobicContact CD1-CB 4.31Å; I80-V104 HydrophobicContact CD1-CG1 3.84Å; Y100-V104 VanDerWaalsContact O-CB 3.31Å; Y100-V104 WeakPolarHBondContact O-CB 3.34Å; Y100-V104 WeakPolarHBondContact O-CG2 3.29Å; Y100-V104 PolarHBondContact O-N 3.19Å; L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 3.36Å; V104-V106 PolarHBondContact O-N 3.06Å; V104-M107 PolarHBondContact O-N 2.83Å; V104-V108 HydrophobicContact CG1-CG2 4.17Å; V104-V108 WeakPolarHBondContact O-CB 3.3Å; V104-V108 VanDerWaalsContact O-CG2 3.28Å; V104-V108 WeakPolarHBondContact O-CG2 3.44Å; V104-V108 PolarHBondContact O-N 3.42Å
105A93.3Very high88.5Confident2 Ų259 Ų592%0.01730%0.296CS..Hα-helixtrans-61.4-43.617800000112.4L76 A101 L102 M109L76-A105 HydrophobicContact CB-CB 4.31Å; L76-A105 HydrophobicContact CD2-CB 4.2Å; L76-A105 HydrophobicContact CG-CB 4.16Å; A101-A105 VanDerWaalsContact O-CB 3.26Å; A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.07Å; L102-A105 PolarHBondContact O-N 3.39Å; A105-M109 WeakPolarHBondContact O-CB 3.41Å; A105-M109 WeakPolarHBondContact O-CG 3.25Å; A105-M109 PolarHBondContact O-N 3.03Å
106V91.3Very high88.5Confident21 Ų2160.5 Ų60.513%0.12731%0.311CS..Hα-helixtrans-62.3-45.4176.3170.20000111L102 P103 V104 T110 V273 L277L102-V106 WeakPolarHBondContact O-CG2 3.23Å; L102-V106 PolarHBondContact O-N 3.31Å; P103-V106 PolarHBondContact O-N 2.91Å; V104-V106 PolarHBondContact O-N 3.06Å; V106-T110 WeakPolarHBondContact O-CB 3.45Å; V106-T110 PolarHBondContact O-N 3.48Å; V106-T110 PolarHBondContact O-OG1 3.39Å; V106-V273 HydrophobicContact CB-CG1 4.14Å; V106-V273 HydrophobicContact CG1-CG1 3.78Å; V106-V273 HydrophobicContact CG2-CG1 4.16Å; V106-L277 HydrophobicContact CG2-CB 4.41Å
107M91.5Very high88.2Confident135 Ų13559.6 Ų59.667%0.66530%0.304SS*.Hα-helixtrans-65.2-46.3-179.8-71.7-67.5-73.500112.1P103 V104 T110 F111P103-M107 WeakPolarHBondContact O-CB 3.33Å; P103-M107 WeakPolarHBondContact O-CG 3.04Å; P103-M107 PolarHBondContact O-N 2.88Å; V104-M107 PolarHBondContact O-N 2.83Å; M107-T110 PolarHBondContact O-N 3.37Å; M107-F111 VanDerWaalsContact O-CB 3.3Å; M107-F111 WeakPolarHBondContact O-CB 3.37Å; M107-F111 PolarHBondContact O-N 2.72Å
108V93.2Very high87.2Confident64 Ų6466.7 Ų66.739%0.38833%0.327SS..Hα-helixtrans-65.2-43.9-179.5172.40000111.1L76 V104 F111 T112L76-V108 HydrophobicContact CD2-CB 3.74Å; L76-V108 HydrophobicContact CD2-CG1 3.71Å; L76-V108 HydrophobicContact CD2-CG2 4.37Å; V104-V108 HydrophobicContact CG1-CG2 4.17Å; V104-V108 WeakPolarHBondContact O-CB 3.3Å; V104-V108 VanDerWaalsContact O-CG2 3.28Å; V104-V108 WeakPolarHBondContact O-CG2 3.44Å; V104-V108 PolarHBondContact O-N 3.42Å; V108-F111 PolarHBondContact O-N 2.98Å; V108-T112 WeakPolarHBondContact O-CB 3.46Å; V108-T112 PolarHBondContact O-N 3.38Å; V108-T112 PolarHBondContact O-OG1 3.41Å
109M92.7Very high86.3Confident26 Ų2675.1 Ų75.113%0.12837%0.365CS..Hα-helixtrans-73.3-33.8179.2-68.8-67139.700112.6L69 T73 L76 A105 T112 G113 V273L69-M109 HydrophobicContact CD2-CB 4.4Å; L69-M109 WeakPolarHBondContact CD2-O 3.47Å; T73-M109 HydrophobicContact CG2-CB 3.39Å; T73-M109 HydrophobicContact CG2-CG 3.48Å; T73-M109 VanDerWaalsContact CG2-CG 3.48Å; L76-M109 HydrophobicContact CB-CE 4.29Å; L76-M109 HydrophobicContact CD2-CE 3.72Å; L76-M109 HydrophobicContact CD2-CG 4.41Å; A105-M109 WeakPolarHBondContact O-CB 3.41Å; A105-M109 WeakPolarHBondContact O-CG 3.25Å; A105-M109 PolarHBondContact O-N 3.03Å; M109-T112 PolarHBondContact O-N 3.43Å; M109-G113 PolarHBondContact O-N 2.93Å; M109-V273 HydrophobicContact CB-CG2 3.97Å
110T89.8Confident85.5Confident10 Ų1072 Ų726%0.06135%0.349CS..Hα-helixtrans-62.6-45.7170.6-630000110.9V106 M107 T112 G113 S114 L268 I269V106-T110 WeakPolarHBondContact O-CB 3.45Å; V106-T110 PolarHBondContact O-N 3.48Å; V106-T110 PolarHBondContact O-OG1 3.39Å; M107-T110 PolarHBondContact O-N 3.37Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T110-T112 PolarHBondContact O-N 3.09Å; T110-G113 PolarHBondContact O-N 3.19Å; T110-S114 WeakPolarHBondContact O-CB 3.22Å; T110-S114 PolarHBondContact O-N 2.96Å; T110-L268 HydrophobicContact CG2-CG 4.35Å; T110-I269 HydrophobicContact CG2-CG1 4.23Å
111F90.1Very high84.4Confident129 Ų12971.2 Ų71.257%0.56635%0.348SS*.Hα-helixtrans-61.8-43.4176.2-177.7-98.8000111.6M107 V108 S114 Y115M107-F111 VanDerWaalsContact O-CB 3.3Å; M107-F111 WeakPolarHBondContact O-CB 3.37Å; M107-F111 PolarHBondContact O-N 2.72Å; V108-F111 PolarHBondContact O-N 2.98Å; F111-S114 PolarHBondContact O-N 2.74Å; F111-Y115 HydrophobicContact CE1-CD1 4.5Å; F111-Y115 HydrophobicContact CE1-CG 4.46Å; F111-Y115 HydrophobicContact CE2-CG 4.39Å; F111-Y115 HydrophobicContact CZ-CD1 4.27Å; F111-Y115 HydrophobicContact CZ-CD2 4.45Å; F111-Y115 HydrophobicContact CZ-CG 4Å; F111-Y115 VanDerWaalsContact O-CB 3.26Å; F111-Y115 WeakPolarHBondContact O-CB 3.5Å; F111-Y115 PolarHBondContact O-N 3.41Å
112T89.5Confident83.4Confident37 Ų3772.9 Ų72.923%0.22736%0.357CS..Iπ-helixtrans-63.7-46178.3-56.50000111.1V108 M109 T110 C116 F117V108-T112 WeakPolarHBondContact O-CB 3.46Å; V108-T112 PolarHBondContact O-N 3.38Å; V108-T112 PolarHBondContact O-OG1 3.41Å; M109-T112 PolarHBondContact O-N 3.43Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T110-T112 PolarHBondContact O-N 3.09Å; T112-C116 HydrophobicContact CG2-CB 4.4Å; T112-C116 VanDerWaalsContact O-CB 3.23Å; T112-C116 WeakPolarHBondContact O-CB 3.22Å; T112-C116 PolarHBondContact O-N 3.3Å; T112-F117 HydrophobicContact CG2-CE2 4.33Å
113G85.7Confident82.5Confident0 Ų074.1 Ų74.10%036%0.362CS..Iπ-helixtrans-62.9-41176.100000112.9M109 T110 I122M109-G113 PolarHBondContact O-N 2.93Å; T110-G113 PolarHBondContact O-N 3.19Å; G113-I122 WeakPolarHBondContact O-CD1 3.1Å
114S83.1Confident81.5Confident35 Ų3578 Ų7825%0.24537%0.367CS..Iπ-helixtrans-80.2-36.9-177.4-1760000114.4T110 F111 L268T110-S114 WeakPolarHBondContact O-CB 3.22Å; T110-S114 PolarHBondContact O-N 2.96Å; F111-S114 PolarHBondContact O-N 2.74Å; S114-L268 VanDerWaalsContact OG-CD1 3.3Å; S114-L268 WeakPolarHBondContact OG-CD1 3.42Å
115Y83.4Confident80.2Confident174 Ų17480 Ų8068%0.68237%0.371SS*.Iπ-helixtrans-95.8-47-172.7-168.4-95.9000112.1F111F111-Y115 HydrophobicContact CE1-CD1 4.5Å; F111-Y115 HydrophobicContact CE1-CG 4.46Å; F111-Y115 HydrophobicContact CE2-CG 4.39Å; F111-Y115 HydrophobicContact CZ-CD1 4.27Å; F111-Y115 HydrophobicContact CZ-CD2 4.45Å; F111-Y115 HydrophobicContact CZ-CG 4Å; F111-Y115 VanDerWaalsContact O-CB 3.26Å; F111-Y115 WeakPolarHBondContact O-CB 3.5Å; F111-Y115 PolarHBondContact O-N 3.41Å
116C84Confident78.8Confident83 Ų8385.1 Ų85.156%0.56140%0.399SS*.Iπ-helixtrans-75-35.4-178.5-57.50000112.1T112T112-C116 HydrophobicContact CG2-CB 4.4Å; T112-C116 VanDerWaalsContact O-CB 3.23Å; T112-C116 WeakPolarHBondContact O-CB 3.22Å; T112-C116 PolarHBondContact O-N 3.3Å
117F79.3Confident77.5Confident78 Ų7888.2 Ų88.234%0.34241%0.409SS..THydrogen-bonded Turntrans-114.445.1-175.2-60.9-78.6000112.6L65 T112 E119 V120L65-F117 HydrophobicContact CD1-CB 4.08Å; L65-F117 HydrophobicContact CD1-CD1 4.08Å; L65-F117 HydrophobicContact CD1-CD2 3.44Å; L65-F117 VanDerWaalsContact CD1-CD2 3.44Å; L65-F117 HydrophobicContact CD1-CE1 4.38Å; L65-F117 HydrophobicContact CD1-CE2 3.78Å; L65-F117 HydrophobicContact CD1-CG 3.59Å; L65-F117 HydrophobicContact CD1-CZ 4.24Å; L65-F117 HydrophobicContact CD2-CB 3.6Å; L65-F117 HydrophobicContact CD2-CG 4.02Å; L65-F117 HydrophobicContact CG-CG 4.48Å; T112-F117 HydrophobicContact CG2-CE2 4.33Å; F117-E119 PolarHBondContact O-N 3.46Å; F117-V120 PolarHBondContact O-N 3.07Å
118R69Low76.1Confident206 Ų20689.2 Ų89.278%0.77741%0.409SS*.THydrogen-bonded Turntrans-60-27.8-177.7-164.5-179.973.1143.61.7113.6
119E64.6Low74.7Confident184 Ų18494.1 Ų94.186%0.8643%0.428SS*.THydrogen-bonded Turntrans-77.7-22.2-176-68177.6-178.400113.2F117F117-E119 PolarHBondContact O-N 3.46Å
120V68.5Low73.1Confident22 Ų22103.2 Ų103.213%0.13346%0.461CS..SBendtrans-86.5125-178.5-175.40000109.6E61 A62 L65 F117 I122E61-V120 HydrophobicContact CB-CG1 4.5Å; E61-V120 HydrophobicContact CB-CG2 4.34Å; A62-V120 HydrophobicContact CB-CG1 4Å; L65-V120 HydrophobicContact CD2-CB 3.77Å; L65-V120 HydrophobicContact CD2-CG1 3.8Å; L65-V120 HydrophobicContact CD2-CG2 4.22Å; F117-V120 PolarHBondContact O-N 3.07Å; V120-I122 PolarHBondContact O-N 2.78Å
121K66.4Low71.6Confident127 Ų127110 Ų11055%0.55249%0.492SS*.  trans-69.191.7175.1-69.2177.6-177.71690109.9E57E57-K121 VanDerWaalsContact CD-NZ 3.31Å; E57-K121 IonicContact OE1-NZ 3.73Å; E57-K121 PolarHBondContact OE1-NZ 2.84Å; E57-K121 IonicContact OE2-NZ 3.56Å; E57-K121 PolarHBondContact OE2-NZ 2.88Å
122I68.1Low70.1Confident36 Ų36108.8 Ų108.819%0.18550%0.497CS..  trans-79.1136.7175-60.3169.3000109.7L65 L69 G113 V120 R124 P270L65-I122 HydrophobicContact CD2-CD1 3.77Å; L65-I122 HydrophobicContact CD2-CG1 3.76Å; L69-I122 HydrophobicContact CD1-CD1 4.42Å; G113-I122 WeakPolarHBondContact O-CD1 3.1Å; V120-I122 PolarHBondContact O-N 2.78Å; I122-R124 PolarHBondContact O-N 3.17Å; I122-P270 HydrophobicContact CG2-CB 3.66Å; I122-P270 HydrophobicContact CG2-CG 4.12Å
123E66.2Low68.8Low62 Ų62114.2 Ų114.229%0.2952%0.523SS..  trans-65.3106.7167.1-67.6-169.7165.500110F29 R271F29-E123 HydrophobicContact CE2-CG 4.11Å; F29-E123 VanDerWaalsContact CE2-OE1 3.28Å; F29-E123 WeakPolarHBondContact CE2-OE1 3.5Å; F29-E123 HydrophobicContact CZ-CG 4.01Å; F29-E123 WeakPolarHBondContact CZ-OE1 3.19Å; E123-R271 PolarHBondContact O-N 2.92Å
124R68.6Low67.7Low152 Ų152116.2 Ų116.257%0.57454%0.543SS*.BIsolated β-bridgetrans-87.7160.2175.3-70.5177.2-168.7178.43.2110.6I122 D126 Q267I122-R124 PolarHBondContact O-N 3.17Å; R124-D126 PolarHBondContact O-N 3.19Å; R124-D126 VanDerWaalsContact O-N 3.16Å; R124-Q267 VanDerWaalsContact CB-O 3.26Å; R124-Q267 WeakPolarHBondContact CB-O 3.4Å; R124-Q267 WeakPolarHBondContact CD-O 3.11Å; R124-Q267 VanDerWaalsContact CG-O 3.29Å; R124-Q267 WeakPolarHBondContact CG-O 3.05Å
125F66.4Low67Low96 Ų96118.4 Ų118.442%0.42156%0.555SS.*  trans-62.4114.6173.9-175.4-97.8000110.7
126D63.5Low66.3Low110 Ų110115.9 Ų115.959%0.58855%0.553SS**  trans-86.5109.8179.1-17719.2000110.4R124 K128R124-D126 PolarHBondContact O-N 3.19Å; R124-D126 VanDerWaalsContact O-N 3.16Å; D126-K128 PolarHBondContact O-N 3.37Å; D126-K128 WeakPolarHBondContact OD2-CE 3.25Å
127Y63.4Low65.6Low87 Ų87113.8 Ų113.834%0.34154%0.542SS..  trans-8798.7170178.1-103.9000109.6Q129 L262Y127-Q129 HydrophobicContact CD1-CB 4.47Å; Y127-Q129 HydrophobicContact CE1-CB 3.82Å; Y127-Q129 HydrophobicContact CE1-CG 4.14Å; Y127-Q129 PolarHBondContact O-N 3.42Å; Y127-L262 HydrophobicContact CD2-CD1 4.14Å; Y127-L262 HydrophobicContact CD2-CD2 3.64Å; Y127-L262 HydrophobicContact CD2-CG 4.45Å; Y127-L262 HydrophobicContact CE2-CD1 3.7Å; Y127-L262 HydrophobicContact CE2-CD2 4.06Å; Y127-L262 HydrophobicContact CE2-CG 4.46Å; Y127-L262 HydrophobicContact CG-CD2 4.2Å
128K63.4Low65.3Low155 Ų155113.5 Ų113.567%0.67455%0.55SS*.  trans-79.5114.1164.9-65.5-173.5-174.9-177.80108.4D126 R130D126-K128 PolarHBondContact O-N 3.37Å; D126-K128 WeakPolarHBondContact OD2-CE 3.25Å; K128-R130 PolarHBondContact O-N 2.91Å
129Q62.5Low65.5Low167 Ų167108.7 Ų108.778%0.7854%0.538SS*.  trans-6585.8171.7-167.1146.7-700109Y127Y127-Q129 HydrophobicContact CD1-CB 4.47Å; Y127-Q129 HydrophobicContact CE1-CB 3.82Å; Y127-Q129 HydrophobicContact CE1-CG 4.14Å; Y127-Q129 PolarHBondContact O-N 3.42Å
130R58.6Low65.9Low218 Ų218105.5 Ų105.582%0.82354%0.536SS*.  trans-75.2158.4-179.3-146163.4-174.3170.7-0.4109.1K128K128-R130 PolarHBondContact O-N 2.91Å
131Q59.1Low66.5Low152 Ų152112 Ų11271%0.7157%0.565SS**SBendtrans-29149-177.5-72.1167.8-29.500115.3I133Q131-I133 PolarHBondContact O-N 3.42Å
132P59Low67.2Low103 Ų103110.1 Ų110.167%0.66956%0.56SS**  trans-48.7118.4-177.720.4-32.6000110.7G134 T135P132-G134 PolarHBondContact O-N 3.1Å; P132-T135 HydrophobicContact CG-CG2 4.05Å
133I62.3Low68.1Low152 Ų152112.7 Ų112.778%0.77958%0.58SS**THydrogen-bonded Turntrans-55.9120.4177.5-61.1167000107.1Q131 L204Q131-I133 PolarHBondContact O-N 3.42Å; I133-L204 HydrophobicContact CG2-CD2 4.32Å
134G61.6Low69.2Low41 Ų41114.4 Ų114.442%0.42359%0.594SS.*THydrogen-bonded Turntrans107.716.6176.300000116.8P132 L136P132-G134 PolarHBondContact O-N 3.1Å; G134-L136 PolarHBondContact O-N 3.11Å
135T68.4Low70.3Confident81 Ų81109.6 Ų109.650%0.49759%0.592SS.*  trans-66.4114.616554.70000109.5P132 A137P132-T135 HydrophobicContact CG-CG2 4.05Å; T135-A137 PolarHBondContact O-N 3.34Å
136L70.1Confident71.4Confident121 Ų121106.8 Ų106.863%0.63459%0.586SS**  trans-55.1130.6173.6-173.570.8000109.1G134 S138G134-L136 PolarHBondContact O-N 3.11Å; L136-S138 PolarHBondContact O-N 3.4Å
137A68.8Low72.5Confident39 Ų39105.3 Ų105.332%0.32258%0.578SS.*  trans-56.4125.7177.900000110.2T135 I139 L201T135-A137 PolarHBondContact O-N 3.34Å; A137-I139 HydrophobicContact CB-CG1 4.17Å; A137-I139 PolarHBondContact O-N 2.9Å; A137-L201 PolarHBondContact N-O 2.93Å
138S72.5Confident73.9Confident73 Ų73107.4 Ų107.451%0.5159%0.589SS.*  trans-72.564.3177.7-60.70000111.7L136 S140 Q141 L142L136-S138 PolarHBondContact O-N 3.4Å; S138-S140 PolarHBondContact O-N 3.26Å; S138-S140 VanDerWaalsContact O-N 3.17Å; S138-Q141 PolarHBondContact O-N 2.97Å; S138-L142 VanDerWaalsContact O-CD1 3.29Å; S138-L142 WeakPolarHBondContact O-CD1 3.29Å
139I72.6Confident75.2Confident104 Ų104102.9 Ų102.953%0.53358%0.58SS.*G310 helixtrans-59.6-28-177.6-60.2161.7000111.2A137 Q141 L142 L201A137-I139 HydrophobicContact CB-CG1 4.17Å; A137-I139 PolarHBondContact O-N 2.9Å; I139-Q141 VanDerWaalsContact C-N 3.26Å; I139-Q141 PolarHBondContact O-N 3.17Å; I139-L142 PolarHBondContact O-N 3.08Å; I139-L201 HydrophobicContact CD1-CD2 4.48Å
140S74.1Confident76.4Confident117 Ų11798 Ų9882%0.81857%0.565SS**G310 helixtrans-68.8-16.4-176.657.90000115.1S138S138-S140 PolarHBondContact O-N 3.26Å; S138-S140 VanDerWaalsContact O-N 3.17Å
141Q81.2Confident77.9Confident158 Ų15893.6 Ų93.674%0.73856%0.555SS**G310 helixtrans-93.6-3.8-178-65.1-178.4-6.700113.4S138 I139S138-Q141 PolarHBondContact O-N 2.97Å; I139-Q141 VanDerWaalsContact C-N 3.26Å; I139-Q141 PolarHBondContact O-N 3.17Å
142L79.7Confident79.4Confident88 Ų8888.2 Ų88.246%0.46154%0.54SS..SBendtrans-83135.6-173.9-78.884.1000111.9S138 I139 A146 I147S138-L142 VanDerWaalsContact O-CD1 3.29Å; S138-L142 WeakPolarHBondContact O-CD1 3.29Å; I139-L142 PolarHBondContact O-N 3.08Å; L142-A146 HydrophobicContact CD2-CB 4.48Å; L142-I147 HydrophobicContact CB-CG1 4.45Å
143P89.1Confident80.7Confident90 Ų9087.5 Ų87.558%0.58453%0.53SS*.  trans-64.6144.8173.128-33.2000109.9G145 A146 I147P143-G145 PolarHBondContact O-N 3.08Å; P143-G145 VanDerWaalsContact O-N 3.1Å; P143-A146 HydrophobicContact CG-CB 3.82Å; P143-A146 WeakPolarHBondContact O-CB 3.24Å; P143-A146 PolarHBondContact O-N 2.85Å; P143-I147 PolarHBondContact O-N 3.35Å
144V88Confident82Confident98 Ų9881.8 Ų81.859%0.59451%0.509SS*.Hα-helixtrans-54.4-35.8-178.1178.20000112.1A146 I147 F148V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 3.5Å; V144-I147 WeakPolarHBondContact O-CB 3.41Å; V144-I147 PolarHBondContact O-N 2.92Å; V144-I147 VanDerWaalsContact O-N 3.16Å; V144-F148 HydrophobicContact CG1-CD2 3.87Å; V144-F148 HydrophobicContact CG1-CE2 3.55Å; V144-F148 WeakPolarHBondContact O-CD2 3.29Å; V144-F148 PolarHBondContact O-N 3.36Å
145G91.1Very high83.3Confident52 Ų5286.5 Ų86.554%0.53652%0.518SS..Hα-helixtrans-60.6-3717500000113.9P143 I147 F148 A149P143-G145 PolarHBondContact O-N 3.08Å; P143-G145 VanDerWaalsContact O-N 3.1Å; G145-I147 VanDerWaalsContact C-N 3.34Å; G145-F148 PolarHBondContact O-N 3.39Å; G145-A149 PolarHBondContact O-N 3.36Å
146A89.7Confident84.1Confident36 Ų3684.9 Ų84.930%0.29851%0.509SS..Hα-helixtrans-69.6-32.9176.200000111.8L142 P143 V144 A149 S150L142-A146 HydrophobicContact CD2-CB 4.48Å; P143-A146 HydrophobicContact CG-CB 3.82Å; P143-A146 WeakPolarHBondContact O-CB 3.24Å; P143-A146 PolarHBondContact O-N 2.85Å; V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 3.5Å; A146-A149 PolarHBondContact O-N 3.3Å; A146-S150 VanDerWaalsContact O-CB 3.28Å; A146-S150 WeakPolarHBondContact O-CB 3.3Å; A146-S150 PolarHBondContact O-N 3.3Å; A146-S150 PolarHBondContact O-OG 3.07Å
147I88.2Confident85Confident80 Ų8082 Ų8241%0.4149%0.494SS..Hα-helixtrans-62.3-50.1175.6-58.7176.1000109.8L142 P143 V144 G145 A149 S150 M151L142-I147 HydrophobicContact CB-CG1 4.45Å; P143-I147 PolarHBondContact O-N 3.35Å; V144-I147 WeakPolarHBondContact O-CB 3.41Å; V144-I147 PolarHBondContact O-N 2.92Å; V144-I147 VanDerWaalsContact O-N 3.16Å; G145-I147 VanDerWaalsContact C-N 3.34Å; I147-A149 PolarHBondContact O-N 3.49Å; I147-S150 PolarHBondContact O-N 3.44Å; I147-S150 PolarHBondContact O-OG 3.12Å; I147-M151 PolarHBondContact O-N 3.05Å
148F91.7Very high85.9Confident131 Ų13183 Ų8358%0.57550%0.499SS*.Hα-helixtrans-63.1-40.8177.7-75.5-69.1000113V144 G145 M151 G152V144-F148 HydrophobicContact CG1-CD2 3.87Å; V144-F148 HydrophobicContact CG1-CE2 3.55Å; V144-F148 WeakPolarHBondContact O-CD2 3.29Å; V144-F148 PolarHBondContact O-N 3.36Å; G145-F148 PolarHBondContact O-N 3.39Å; F148-M151 HydrophobicContact CD1-CE 4.02Å; F148-M151 WeakPolarHBondContact O-CB 3.27Å; F148-M151 PolarHBondContact O-N 3.14Å; F148-G152 PolarHBondContact O-N 3.01Å
149A90.5Very high86.7Confident59 Ų5981.7 Ų81.749%0.48849%0.488SS..Hα-helixtrans-62.7-42.9174.900000111.8G145 A146 I147 M151 G152 L153G145-A149 PolarHBondContact O-N 3.36Å; A146-A149 PolarHBondContact O-N 3.3Å; I147-A149 PolarHBondContact O-N 3.49Å; A149-M151 VanDerWaalsContact C-N 3.3Å; A149-M151 PolarHBondContact O-N 2.78Å; A149-G152 PolarHBondContact O-N 2.89Å; A149-L153 PolarHBondContact O-N 3.36Å; A149-L153 VanDerWaalsContact O-N 3.12Å
150S88.9Confident87.3Confident66 Ų6678.5 Ų78.546%0.46247%0.472SS..Hα-helixtrans-64.5-33.1177.573.80000112.7A146 I147 L153 G154A146-S150 VanDerWaalsContact O-CB 3.28Å; A146-S150 WeakPolarHBondContact O-CB 3.3Å; A146-S150 PolarHBondContact O-N 3.3Å; A146-S150 PolarHBondContact O-OG 3.07Å; I147-S150 PolarHBondContact O-N 3.44Å; I147-S150 PolarHBondContact O-OG 3.12Å; S150-L153 PolarHBondContact O-N 3.03Å; S150-G154 PolarHBondContact O-N 2.95Å
151M90.3Very high88.1Confident125 Ų12574.4 Ų74.462%0.61644%0.439SS*.Hα-helixtrans-63.8-42174.7-174178.770.500111.5I147 F148 A149 G154 F155I147-M151 PolarHBondContact O-N 3.05Å; F148-M151 HydrophobicContact CD1-CE 4.02Å; F148-M151 WeakPolarHBondContact O-CB 3.27Å; F148-M151 PolarHBondContact O-N 3.14Å; A149-M151 VanDerWaalsContact C-N 3.3Å; A149-M151 PolarHBondContact O-N 2.78Å; M151-G154 PolarHBondContact O-N 2.87Å; M151-F155 PolarHBondContact O-N 3.4Å
152G88.9Confident88.5Confident39 Ų3971.7 Ų71.740%0.40243%0.425SS..Hα-helixtrans-64-46.7175.400000112.7F148 A149 F155 C156F148-G152 PolarHBondContact O-N 3.01Å; A149-G152 PolarHBondContact O-N 2.89Å; G152-F155 PolarHBondContact O-N 3.33Å; G152-C156 PolarHBondContact O-N 2.87Å
153L87.6Confident88.9Confident87 Ų8768 Ų6846%0.45541%0.406SS..Hα-helixtrans-64.7-40.9176.5-65.5176.7000111.9A149 S150 F155 C156 L157 M346A149-L153 PolarHBondContact O-N 3.36Å; A149-L153 VanDerWaalsContact O-N 3.12Å; S150-L153 PolarHBondContact O-N 3.03Å; L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 3.48Å; L153-C156 PolarHBondContact O-N 3.44Å; L153-L157 WeakPolarHBondContact O-CD1 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.41Å; L153-M346 HydrophobicContact CD2-CE 4.1Å; L153-M346 HydrophobicContact CD2-SD 3.39Å; L153-M346 WeakPolarHBondContact CD2-SD 3.33Å
154G89.2Confident88.8Confident32 Ų3264.4 Ų64.433%0.3338%0.382SS..Hα-helixtrans-62-34.217600000113S150 M151 L157 S158S150-G154 PolarHBondContact O-N 2.95Å; M151-G154 PolarHBondContact O-N 2.87Å; G154-L157 PolarHBondContact O-N 3.5Å; G154-S158 WeakPolarHBondContact O-CB 3.34Å; G154-S158 PolarHBondContact O-N 3.06Å
155F88.7Confident89Confident140 Ų14060.9 Ų60.961%0.61436%0.359SS*.Hα-helixtrans-65.9-44.9172.7179.4-97.8000112.2M151 G152 L153 L157 S158 V159M151-F155 PolarHBondContact O-N 3.4Å; G152-F155 PolarHBondContact O-N 3.33Å; L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 3.48Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.43Å; F155-S158 PolarHBondContact O-N 3.49Å; F155-S158 PolarHBondContact O-OG 3.43Å; F155-V159 HydrophobicContact CE1-CG2 4.31Å; F155-V159 HydrophobicContact CZ-CG2 4.34Å; F155-V159 WeakPolarHBondContact O-CG2 3.37Å; F155-V159 PolarHBondContact O-N 2.68Å
156C86.1Confident88.9Confident47 Ų4760.9 Ų60.932%0.31835%0.347SS..Hα-helixtrans-61.4-41175.8-66.80000112G152 L153 V159 L160G152-C156 PolarHBondContact O-N 2.87Å; L153-C156 PolarHBondContact O-N 3.44Å; C156-V159 PolarHBondContact O-N 3.07Å; C156-L160 PolarHBondContact O-N 3.47Å
157L87.5Confident88.8Confident60 Ų6059.8 Ų59.831%0.31434%0.336SS..Hα-helixtrans-67.6-35.2177.1-74.5158.9000112.8L153 G154 F155 V159 L160 F161 W206L153-L157 WeakPolarHBondContact O-CD1 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.41Å; G154-L157 PolarHBondContact O-N 3.5Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.43Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 2.98Å; L157-L160 WeakPolarHBondContact O-CB 3.38Å; L157-L160 PolarHBondContact O-N 3.3Å; L157-F161 PolarHBondContact O-N 2.94Å; L157-W206 HydrophobicContact CB-CZ3 4.41Å; L157-W206 HydrophobicContact CD1-CH2 3.82Å; L157-W206 HydrophobicContact CD1-CZ3 3.52Å; L157-W206 HydrophobicContact CD2-CZ3 4.34Å; L157-W206 HydrophobicContact CG-CZ3 4.29Å
158S89.2Confident88.8Confident61 Ų6156.2 Ų56.243%0.42732%0.317SS..Hα-helixtrans-66.4-35.8176.776.60000112G154 F155 L160 F161 F162G154-S158 WeakPolarHBondContact O-CB 3.34Å; G154-S158 PolarHBondContact O-N 3.06Å; F155-S158 PolarHBondContact O-N 3.49Å; F155-S158 PolarHBondContact O-OG 3.43Å; S158-L160 VanDerWaalsContact C-N 3.33Å; S158-F161 PolarHBondContact O-N 2.72Å; S158-F162 WeakPolarHBondContact O-CB 3.44Å; S158-F162 PolarHBondContact O-N 2.93Å
159V87.7Confident88.8Confident45 Ų4550.3 Ų50.327%0.27329%0.293SS..Hα-helixtrans-62.9-39.4172.4175.30000111.2F155 C156 L157 F162 L163 P349F155-V159 HydrophobicContact CE1-CG2 4.31Å; F155-V159 HydrophobicContact CZ-CG2 4.34Å; F155-V159 WeakPolarHBondContact O-CG2 3.37Å; F155-V159 PolarHBondContact O-N 2.68Å; C156-V159 PolarHBondContact O-N 3.07Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 2.98Å; V159-F162 PolarHBondContact O-N 3.33Å; V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 PolarHBondContact O-N 3.49Å; V159-P349 HydrophobicContact CG1-CB 4.27Å
160L87Confident88.6Confident37 Ų3749.2 Ų49.219%0.19428%0.283CS..Hα-helixtrans-61.8-50.6174.9179.461.4000111.6C156 L157 S158 F162 L163 D164 F348 P349C156-L160 PolarHBondContact O-N 3.47Å; L157-L160 WeakPolarHBondContact O-CB 3.38Å; L157-L160 PolarHBondContact O-N 3.3Å; S158-L160 VanDerWaalsContact C-N 3.33Å; L160-F162 VanDerWaalsContact C-N 3.3Å; L160-F162 PolarHBondContact O-N 3.24Å; L160-L163 WeakPolarHBondContact O-CB 3.36Å; L160-L163 PolarHBondContact O-N 3.09Å; L160-L163 VanDerWaalsContact O-N 3.11Å; L160-D164 PolarHBondContact O-N 3.4Å; L160-F348 HydrophobicContact CD1-CD1 3.92Å; L160-F348 HydrophobicContact CD1-CE1 4.08Å; L160-P349 HydrophobicContact CB-CB 4.1Å; L160-P349 HydrophobicContact CB-CG 3.63Å; L160-P349 HydrophobicContact CD1-CB 4.31Å; L160-P349 HydrophobicContact CD1-CG 3.84Å; L160-P349 HydrophobicContact CD2-CG 4.49Å; L160-P349 HydrophobicContact CG-CG 4.16Å
161F89.4Confident88.5Confident31 Ų3147.5 Ų47.514%0.13627%0.268CS..Hα-helixtrans-63.3-37.1179.1-69.3-15.3000112.8L157 S158 L163 Q165 W206 H208L157-F161 PolarHBondContact O-N 2.94Å; S158-F161 PolarHBondContact O-N 2.72Å; F161-L163 VanDerWaalsContact C-N 3.34Å; F161-Q165 VanDerWaalsContact O-CB 3.26Å; F161-Q165 WeakPolarHBondContact O-CB 3.39Å; F161-Q165 PolarHBondContact O-N 3.15Å; F161-W206 HydrophobicContact CE2-CB 4.08Å; F161-W206 HydrophobicContact CE2-CD2 4.34Å; F161-W206 AromaticContact CE2-CE3 3.93Å; F161-W206 HydrophobicContact CE2-CE3 3.93Å; F161-W206 HydrophobicContact CE2-CG 4.45Å; F161-W206 HydrophobicContact CZ-CB 3.87Å; F161-W206 HydrophobicContact CZ-CD2 4.4Å; F161-W206 AromaticContact CZ-CE3 3.78Å; F161-W206 HydrophobicContact CZ-CE3 3.78Å; F161-H208 HydrophobicContact CD1-CB 3.81Å; F161-H208 HydrophobicContact CE1-CB 3.99Å; F161-H208 AromaticContact CE1-CD2 3.82Å; F161-H208 HydrophobicContact CG-CB 4.38Å
162F89.5Confident88.4Confident102 Ų10243.5 Ų43.545%0.44725%0.249SC..Hα-helixtrans-60.5-44.6172.6175.3-99000111.6S158 V159 L160 N166 L189S158-F162 WeakPolarHBondContact O-CB 3.44Å; S158-F162 PolarHBondContact O-N 2.93Å; V159-F162 PolarHBondContact O-N 3.33Å; L160-F162 VanDerWaalsContact C-N 3.3Å; L160-F162 PolarHBondContact O-N 3.24Å; F162-N166 WeakPolarHBondContact CD2-ND2 3.48Å; F162-N166 VanDerWaalsContact CE1-ND2 3.26Å; F162-N166 WeakPolarHBondContact CE1-ND2 3.28Å; F162-N166 WeakPolarHBondContact CE2-ND2 3.32Å; F162-N166 WeakPolarHBondContact CZ-ND2 3.47Å; F162-N166 WeakPolarHBondContact O-CB 3.37Å; F162-N166 PolarHBondContact O-N 2.92Å; F162-N166 VanDerWaalsContact O-N 3.13Å; F162-N166 PolarHBondContact O-ND2 3.32Å; F162-L189 HydrophobicContact CD2-CD1 4.1Å; F162-L189 HydrophobicContact CD2-CD2 3.65Å; F162-L189 HydrophobicContact CE2-CD2 3.92Å
163L88.1Confident88.4Confident9 Ų944.3 Ų44.35%0.04725%0.245CC..Hα-helixtrans-64.3-52.1178.4-178.775.8000111.4V159 L160 F161 Q165 N166 I167 C352 F356V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 PolarHBondContact O-N 3.49Å; L160-L163 WeakPolarHBondContact O-CB 3.36Å; L160-L163 PolarHBondContact O-N 3.09Å; L160-L163 VanDerWaalsContact O-N 3.11Å; F161-L163 VanDerWaalsContact C-N 3.34Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 2.69Å; L163-N166 PolarHBondContact O-N 3.28Å; L163-I167 HydrophobicContact CD1-CD1 3.78Å; L163-I167 HydrophobicContact CD1-CG1 4.19Å; L163-I167 HydrophobicContact CD2-CD1 4.19Å; L163-I167 HydrophobicContact CG-CD1 3.66Å; L163-I167 HydrophobicContact CG-CG1 4.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.39Å; L163-I167 PolarHBondContact O-N 3.16Å; L163-C352 HydrophobicContact CD1-CB 4.44Å; L163-C352 HydrophobicContact CD2-CB 3.23Å; L163-C352 HydrophobicContact CG-CB 4.44Å; L163-F356 HydrophobicContact CD1-CE2 3.85Å; L163-F356 HydrophobicContact CD1-CZ 4.38Å
164D87.4Confident88.2Confident15 Ų1543 Ų438%0.0824%0.238CC..Hα-helixtrans-59.7-42-177.9-79-7.5000111.9F6 L160 T168 H208F6-D164 WeakPolarHBondContact CZ-OD1 3.36Å; L160-D164 PolarHBondContact O-N 3.4Å; D164-T168 VanDerWaalsContact O-CB 3.22Å; D164-T168 WeakPolarHBondContact O-CB 3.48Å; D164-T168 PolarHBondContact O-N 2.97Å; D164-T168 PolarHBondContact O-OG1 3.14Å; D164-H208 IonicContact OD2-CE1 3.83Å; D164-H208 IonicContact OD2-ND1 2.95Å; D164-H208 PolarHBondContact OD2-ND1 3.05Å
165Q91.8Very high87.8Confident24 Ų2449 Ų4911%0.11226%0.258CS..Hα-helixtrans-63.9-45177.2-174.362.433.900111.5F161 L163 S169 A209F161-Q165 VanDerWaalsContact O-CB 3.26Å; F161-Q165 WeakPolarHBondContact O-CB 3.39Å; F161-Q165 PolarHBondContact O-N 3.15Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 2.69Å; Q165-S169 WeakPolarHBondContact O-CB 3.41Å; Q165-S169 PolarHBondContact O-N 3.33Å; Q165-A209 VanDerWaalsContact OE1-CB 3.32Å
166N89.4Confident87.5Confident53 Ų5347.2 Ų47.228%0.28325%0.251SS..Hα-helixtrans-69.9-41.7-179.5-76.8-49000112.4F162 L163 S169 A170F162-N166 WeakPolarHBondContact CD2-ND2 3.48Å; F162-N166 VanDerWaalsContact CE1-ND2 3.26Å; F162-N166 WeakPolarHBondContact CE1-ND2 3.28Å; F162-N166 WeakPolarHBondContact CE2-ND2 3.32Å; F162-N166 WeakPolarHBondContact CZ-ND2 3.47Å; F162-N166 WeakPolarHBondContact O-CB 3.37Å; F162-N166 PolarHBondContact O-N 2.92Å; F162-N166 VanDerWaalsContact O-N 3.13Å; F162-N166 PolarHBondContact O-ND2 3.32Å; L163-N166 PolarHBondContact O-N 3.28Å; N166-S169 PolarHBondContact O-N 2.93Å; N166-A170 VanDerWaalsContact O-CB 3.29Å; N166-A170 WeakPolarHBondContact O-CB 3.42Å; N166-A170 PolarHBondContact O-N 2.9Å
167I88Confident87.4Confident13 Ų1346 Ų467%0.06724%0.242CC..Hα-helixtrans-63.2-48.4176.3-67.7176.4000109.8F6 L163 S169 A170 I171 L211F6-I167 HydrophobicContact CB-CD1 4.3Å; F6-I167 HydrophobicContact CB-CG2 4.17Å; F6-I167 HydrophobicContact CD1-CD1 4.39Å; F6-I167 HydrophobicContact CD1-CG2 3.89Å; F6-I167 HydrophobicContact CD2-CD1 3.73Å; F6-I167 HydrophobicContact CE2-CD1 4.07Å; F6-I167 HydrophobicContact CG-CD1 3.88Å; F6-I167 HydrophobicContact CG-CG2 4.08Å; L163-I167 HydrophobicContact CD1-CD1 3.78Å; L163-I167 HydrophobicContact CD1-CG1 4.19Å; L163-I167 HydrophobicContact CD2-CD1 4.19Å; L163-I167 HydrophobicContact CG-CD1 3.66Å; L163-I167 HydrophobicContact CG-CG1 4.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.39Å; L163-I167 PolarHBondContact O-N 3.16Å; I167-S169 VanDerWaalsContact C-N 3.32Å; I167-S169 PolarHBondContact O-N 2.64Å; I167-A170 PolarHBondContact O-N 3.41Å; I167-I171 HydrophobicContact CG2-CD1 3.84Å; I167-I171 WeakPolarHBondContact O-CG1 3.41Å; I167-I171 PolarHBondContact O-N 2.85Å; I167-L211 HydrophobicContact CG2-CD1 4.17Å
168T89Confident87.2Confident4 Ų447.5 Ų47.53%0.02525%0.245CC..Hα-helixtrans-62.1-42.8179.6-56.80000111.1D164 A170 I171 I172 A209 L211D164-T168 VanDerWaalsContact O-CB 3.22Å; D164-T168 WeakPolarHBondContact O-CB 3.48Å; D164-T168 PolarHBondContact O-N 2.97Å; D164-T168 PolarHBondContact O-OG1 3.14Å; T168-A170 VanDerWaalsContact C-N 3.34Å; T168-A170 PolarHBondContact O-N 2.98Å; T168-I171 PolarHBondContact O-N 3.38Å; T168-I172 HydrophobicContact CG2-CD1 3.79Å; T168-I172 WeakPolarHBondContact O-CD1 3.41Å; T168-I172 VanDerWaalsContact O-CG1 3.29Å; T168-I172 WeakPolarHBondContact O-CG1 3.28Å; T168-I172 PolarHBondContact O-N 3.04Å; T168-A209 HydrophobicContact CG2-CB 3.92Å; T168-L211 HydrophobicContact CG2-CD2 4.2Å; T168-L211 HydrophobicContact CG2-CG 4.45Å
169S89.7Confident87.1Confident8 Ų846.9 Ų46.96%0.05624%0.237CC..Hα-helixtrans-63.7-39.2176.4-178.10000112.3Q165 N166 I167 I172 N173 T185Q165-S169 WeakPolarHBondContact O-CB 3.41Å; Q165-S169 PolarHBondContact O-N 3.33Å; N166-S169 PolarHBondContact O-N 2.93Å; I167-S169 VanDerWaalsContact C-N 3.32Å; I167-S169 PolarHBondContact O-N 2.64Å; S169-I172 PolarHBondContact O-N 3.44Å; S169-N173 WeakPolarHBondContact O-CB 3.41Å; S169-N173 PolarHBondContact O-N 2.83Å; S169-N173 PolarHBondContact O-ND2 3.43Å; S169-N173 PolarHBondContact OG-ND2 3.49Å; S169-T185 WeakPolarHBondContact OG-CG2 3.19Å
170A87.9Confident86.8Confident35 Ų3554.6 Ų54.629%0.28926%0.261SS..Hα-helixtrans-66.3-41.917800000112E3 N166 I167 T168 I172 N173 N174E3-A170 VanDerWaalsContact CD-CB 3.47Å; E3-A170 HydrophobicContact CG-CB 4.04Å; E3-A170 VanDerWaalsContact OE1-CB 3.24Å; E3-A170 WeakPolarHBondContact OE1-CB 3.28Å; N166-A170 VanDerWaalsContact O-CB 3.29Å; N166-A170 WeakPolarHBondContact O-CB 3.42Å; N166-A170 PolarHBondContact O-N 2.9Å; I167-A170 PolarHBondContact O-N 3.41Å; T168-A170 VanDerWaalsContact C-N 3.34Å; T168-A170 PolarHBondContact O-N 2.98Å; A170-I172 VanDerWaalsContact C-N 3.35Å; A170-I172 PolarHBondContact O-N 3.44Å; A170-N173 CarbonylContact O-C 3.43Å; A170-N173 PolarHBondContact O-N 3.46Å; A170-N174 PolarHBondContact O-N 2.95Å
171I86.5Confident86.7Confident30 Ų3059.4 Ų59.415%0.15428%0.28CS..Hα-helixtrans-60.2-44.6175.2-69.4166.4000111.2E3 I167 T168 N174 N177 L211 P215E3-I171 HydrophobicContact CB-CD1 4.32Å; E3-I171 HydrophobicContact CB-CG1 3.74Å; E3-I171 HydrophobicContact CG-CG1 3.91Å; I167-I171 HydrophobicContact CG2-CD1 3.84Å; I167-I171 WeakPolarHBondContact O-CG1 3.41Å; I167-I171 PolarHBondContact O-N 2.85Å; T168-I171 PolarHBondContact O-N 3.38Å; I171-N174 WeakPolarHBondContact O-CB 3.31Å; I171-N177 PolarHBondContact O-ND2 3.25Å; I171-N177 VanDerWaalsContact O-ND2 3.08Å; I171-L211 HydrophobicContact CD1-CD1 3.9Å; I171-L211 HydrophobicContact CD1-CD2 3.87Å; I171-P215 HydrophobicContact CG2-CB 4.35Å
172I88.3Confident86.4Confident41 Ų4161.5 Ų61.521%0.2131%0.311CS..Hα-helixtrans-69.2-44-179.7-69.9167.9000110.8T168 S169 A170 N174 N177 L179 L218T168-I172 HydrophobicContact CG2-CD1 3.79Å; T168-I172 WeakPolarHBondContact O-CD1 3.41Å; T168-I172 VanDerWaalsContact O-CG1 3.29Å; T168-I172 WeakPolarHBondContact O-CG1 3.28Å; T168-I172 PolarHBondContact O-N 3.04Å; S169-I172 PolarHBondContact O-N 3.44Å; A170-I172 VanDerWaalsContact C-N 3.35Å; A170-I172 PolarHBondContact O-N 3.44Å; I172-N174 PolarHBondContact O-N 3Å; I172-N177 PolarHBondContact O-ND2 2.8Å; I172-L179 HydrophobicContact CG2-CD1 3.77Å; I172-L179 VanDerWaalsContact O-CD1 3.27Å; I172-L179 WeakPolarHBondContact O-CD1 3.47Å; I172-L218 HydrophobicContact CB-CD1 4.47Å; I172-L218 HydrophobicContact CG2-CD1 3.77Å
173N88.1Confident86.1Confident57 Ų5760.1 Ų60.131%0.30531%0.314SS..THydrogen-bonded Turntrans-82.912.6-178.1-63.1-36.6000113.6S169 A170 Q175 S183S169-N173 WeakPolarHBondContact O-CB 3.41Å; S169-N173 PolarHBondContact O-N 2.83Å; S169-N173 PolarHBondContact O-ND2 3.43Å; S169-N173 PolarHBondContact OG-ND2 3.49Å; A170-N173 CarbonylContact O-C 3.43Å; A170-N173 PolarHBondContact O-N 3.46Å; N173-Q175 PolarHBondContact O-N 2.97Å; N173-S183 WeakPolarHBondContact ND2-CB 3.39Å
174N84.6Confident86.2Confident60 Ų6062.8 Ų62.832%0.32133%0.333SS..  trans-58.6137.1172.3-172.1-5.8000109.9A170 I171 I172 Q176 N177A170-N174 PolarHBondContact O-N 2.95Å; I171-N174 WeakPolarHBondContact O-CB 3.31Å; I172-N174 PolarHBondContact O-N 3Å; N174-Q176 PolarHBondContact ND2-OE1 3.27Å; N174-Q176 PolarHBondContact O-N 2.96Å; N174-Q176 VanDerWaalsContact O-N 3.08Å; N174-Q176 PolarHBondContact OD1-N 2.88Å; N174-N177 WeakPolarHBondContact O-CB 3.41Å; N174-N177 PolarHBondContact O-N 2.94Å
175Q81Confident86.2Confident158 Ų15863.8 Ų63.874%0.73834%0.34SS*.G310 helixtrans-57.1-27.1-179-66.9-179.6-31.700112.5N173 N177 K178N173-Q175 PolarHBondContact O-N 2.97Å; Q175-N177 PolarHBondContact O-N 3.02Å; Q175-K178 PolarHBondContact O-N 3.17Å; Q175-K178 VanDerWaalsContact O-N 3.17Å
176Q81.1Confident86.2Confident102 Ų10270.2 Ų70.248%0.47737%0.37SS..G310 helixtrans-60.3-29.9174.8-65.1-178-14.900113.4N174 K178N174-Q176 PolarHBondContact ND2-OE1 3.27Å; N174-Q176 PolarHBondContact O-N 2.96Å; N174-Q176 VanDerWaalsContact O-N 3.08Å; N174-Q176 PolarHBondContact OD1-N 2.88Å; Q176-K178 VanDerWaalsContact C-N 3.29Å; Q176-K178 PolarHBondContact O-N 3.35Å
177N83.9Confident86.4Confident22 Ų2271.8 Ų71.812%0.11838%0.378CS..G310 helixtrans-80.4-8.9-179.7-64.3-26.5000113.2I171 I172 N174 Q175 L179 L218 I237 V240I171-N177 PolarHBondContact O-ND2 3.25Å; I171-N177 VanDerWaalsContact O-ND2 3.08Å; I172-N177 PolarHBondContact O-ND2 2.8Å; N174-N177 WeakPolarHBondContact O-CB 3.41Å; N174-N177 PolarHBondContact O-N 2.94Å; Q175-N177 PolarHBondContact O-N 3.02Å; N177-L179 HydrophobicContact CB-CG 4.29Å; N177-L179 PolarHBondContact O-N 2.9Å; N177-L179 VanDerWaalsContact O-N 3.11Å; N177-L218 HydrophobicContact CB-CD1 4.21Å; N177-L218 HydrophobicContact CB-CD2 4.21Å; N177-I237 WeakPolarHBondContact OD1-CD1 3.33Å; N177-V240 WeakPolarHBondContact O-CG2 3.46Å
178K83.4Confident86.6Confident90 Ų9074.2 Ų74.239%0.39139%0.391SS..  trans47.840.1176.1-60.1-178.6-172.7152.10114.5Q175 Q176 I237Q175-K178 PolarHBondContact O-N 3.17Å; Q175-K178 VanDerWaalsContact O-N 3.17Å; Q176-K178 VanDerWaalsContact C-N 3.29Å; Q176-K178 PolarHBondContact O-N 3.35Å; K178-I237 WeakPolarHBondContact CD-O 3.45Å; K178-I237 WeakPolarHBondContact CE-O 3.28Å; K178-I237 PolarHBondContact NZ-O 2.97Å
179L86.5Confident86.7Confident49 Ų4976.5 Ų76.526%0.25740%0.403SS..  trans-62.7139.8173.2-62.2180000110.1I172 N177 L218 V240 E242I172-L179 HydrophobicContact CG2-CD1 3.77Å; I172-L179 VanDerWaalsContact O-CD1 3.27Å; I172-L179 WeakPolarHBondContact O-CD1 3.47Å; N177-L179 HydrophobicContact CB-CG 4.29Å; N177-L179 PolarHBondContact O-N 2.9Å; N177-L179 VanDerWaalsContact O-N 3.11Å; L179-L218 HydrophobicContact CD1-CD1 4.23Å; L179-L218 HydrophobicContact CD2-CD1 4.05Å; L179-L218 HydrophobicContact CG-CD1 4.48Å; L179-V240 HydrophobicContact CD2-CB 3.96Å; L179-V240 HydrophobicContact CD2-CG1 3.83Å; L179-V240 HydrophobicContact CD2-CG2 4.22Å; L179-E242 WeakPolarHBondContact CA-OE1 3.35Å; L179-E242 HydrophobicContact CD2-CG 4.23Å
180R83.3Confident86.9Confident206 Ų20680.9 Ų80.978%0.77743%0.425SS*.  trans-99.3-33.4-176.2-71.3-166.1177.8-163.81.2112.5E242R180-E242 PolarHBondContact N-OE1 3.33Å
181K84.4Confident87.2Confident138 Ų13884 Ų8460%0.644%0.435SS*.SBendtrans-81.6131.4175.8-69.6170.3-152.4159.30108.3E242K181-E242 WeakPolarHBondContact CB-OE2 3.28Å; K181-E242 WeakPolarHBondContact CD-OE2 3.44Å; K181-E242 WeakPolarHBondContact CE-OE2 3.32Å; K181-E242 WeakPolarHBondContact CG-OE2 3.34Å; K181-E242 PolarHBondContact N-OE1 3.48Å; K181-E242 PolarHBondContact N-OE2 2.93Å; K181-E242 PolarHBondContact NZ-O 2.94Å; K181-E242 IonicContact NZ-OE2 3.54Å
182G82.1Confident87.5Confident76 Ų7683.8 Ų83.878%0.78444%0.435SS*.PPolyproline II helixtrans-58.2152.217700000111.9
183S84.2Confident87.8Confident73 Ų7384.3 Ų84.351%0.5145%0.445SS..PPolyproline II helixtrans-80.3137.8177.858.60000111.8N173N173-S183 WeakPolarHBondContact ND2-CB 3.39Å
184S88.8Confident88.1Confident64 Ų6486.2 Ų86.245%0.44845%0.454SS..  trans-12067.7172.9-161.60000111H186 L187 D188S184-H186 VanDerWaalsContact C-N 3.28Å; S184-H186 PolarHBondContact O-N 3.4Å; S184-L187 PolarHBondContact O-N 2.9Å; S184-L187 VanDerWaalsContact O-N 3.14Å; S184-L187 VanDerWaalsContact OG-CB 3.32Å; S184-L187 WeakPolarHBondContact OG-CB 3.32Å; S184-D188 PolarHBondContact O-N 3.39Å; S184-D188 VanDerWaalsContact O-N 3.15Å
185T87.4Confident88.5Confident37 Ų3787.3 Ų87.323%0.22746%0.46CS..Hα-helixtrans-60.3-36.2-173.6590000113.3S169 D188 L189S169-T185 WeakPolarHBondContact OG-CG2 3.19Å; T185-D188 PolarHBondContact O-N 3.22Å; T185-L189 PolarHBondContact O-N 3.47Å; T185-L189 VanDerWaalsContact O-N 3.1Å
186H92.7Very high89.1Confident159 Ų15980.7 Ų80.774%0.73643%0.429SS*.Hα-helixtrans-68.4-36.9177.9-64.2-66.8000113S184 L190S184-H186 VanDerWaalsContact C-N 3.28Å; S184-H186 PolarHBondContact O-N 3.4Å; H186-L190 PolarHBondContact O-N 3.43Å; H186-L190 VanDerWaalsContact O-N 3.09Å
187L92.8Very high89.6Confident86 Ų8680.2 Ų80.245%0.4543%0.433SS..Hα-helixtrans-68.6-40.9177.1-174.8149.4000110.2S184 L189 L190 M191S184-L187 PolarHBondContact O-N 2.9Å; S184-L187 VanDerWaalsContact O-N 3.14Å; S184-L187 VanDerWaalsContact OG-CB 3.32Å; S184-L187 WeakPolarHBondContact OG-CB 3.32Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3Å; L187-L190 PolarHBondContact O-N 2.88Å; L187-M191 HydrophobicContact CD2-CE 4.27Å; L187-M191 HydrophobicContact CD2-CG 3.9Å; L187-M191 HydrophobicContact CG-CE 4.47Å; L187-M191 VanDerWaalsContact O-CG 3.31Å; L187-M191 WeakPolarHBondContact O-CG 3.46Å; L187-M191 PolarHBondContact O-N 2.75Å
188D92.2Very high90Very high63 Ų6384.4 Ų84.434%0.33745%0.451SS..Hα-helixtrans-61.2-43.6177.3-60.7-20.4000111.1S184 T185 L190 M191 V192S184-D188 PolarHBondContact O-N 3.39Å; S184-D188 VanDerWaalsContact O-N 3.15Å; T185-D188 PolarHBondContact O-N 3.22Å; D188-L190 PolarHBondContact O-N 2.99Å; D188-M191 PolarHBondContact O-N 3.41Å; D188-V192 WeakPolarHBondContact O-CG2 3.39Å; D188-V192 PolarHBondContact O-N 2.9Å
189L92.2Very high90.3Very high52 Ų5281.1 Ų81.127%0.27244%0.437SS..Hα-helixtrans-61.8-42.3176.1-175.167.5000112.4F162 T185 L187 M191 V192 A193F162-L189 HydrophobicContact CD2-CD1 4.1Å; F162-L189 HydrophobicContact CD2-CD2 3.65Å; F162-L189 HydrophobicContact CE2-CD2 3.92Å; T185-L189 PolarHBondContact O-N 3.47Å; T185-L189 VanDerWaalsContact O-N 3.1Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3Å; L189-M191 VanDerWaalsContact C-N 3.35Å; L189-V192 PolarHBondContact O-N 3.36Å; L189-A193 PolarHBondContact O-N 3.15Å
190L94.2Very high90.4Very high101 Ų10181.7 Ų81.753%0.52945%0.446SS..Hα-helixtrans-62.5-42.7176.1179.164.9000111.4H186 L187 D188 A193 I194H186-L190 PolarHBondContact O-N 3.43Å; H186-L190 VanDerWaalsContact O-N 3.09Å; L187-L190 PolarHBondContact O-N 2.88Å; D188-L190 PolarHBondContact O-N 2.99Å; L190-A193 WeakPolarHBondContact O-CB 3.27Å; L190-A193 PolarHBondContact O-N 2.94Å; L190-I194 HydrophobicContact CD1-CD1 4.26Å; L190-I194 HydrophobicContact CG-CD1 4.05Å; L190-I194 WeakPolarHBondContact O-CG1 3.2Å; L190-I194 PolarHBondContact O-N 2.87Å
191M93.6Very high90.6Very high101 Ų10175.5 Ų75.550%0.49843%0.427SS..Hα-helixtrans-65.6-42178.9-69.5-63.5162.500112L187 D188 L189 A193 I194 L195L187-M191 HydrophobicContact CD2-CE 4.27Å; L187-M191 HydrophobicContact CD2-CG 3.9Å; L187-M191 HydrophobicContact CG-CE 4.47Å; L187-M191 VanDerWaalsContact O-CG 3.31Å; L187-M191 WeakPolarHBondContact O-CG 3.46Å; L187-M191 PolarHBondContact O-N 2.75Å; D188-M191 PolarHBondContact O-N 3.41Å; L189-M191 VanDerWaalsContact C-N 3.35Å; M191-A193 VanDerWaalsContact C-N 3.31Å; M191-A193 PolarHBondContact O-N 2.87Å; M191-I194 PolarHBondContact O-N 2.88Å; M191-L195 WeakPolarHBondContact O-CB 3.28Å; M191-L195 PolarHBondContact O-N 3.38Å
192V93.2Very high90.6Very high24 Ų2472.4 Ų72.415%0.14541%0.414CS..Hα-helixtrans-61.3-40.5174.2171.60000111D188 L189 L195 N196D188-V192 WeakPolarHBondContact O-CG2 3.39Å; D188-V192 PolarHBondContact O-N 2.9Å; L189-V192 PolarHBondContact O-N 3.36Å; V192-L195 PolarHBondContact O-N 3.08Å; V192-N196 WeakPolarHBondContact CG1-ND2 3.29Å; V192-N196 WeakPolarHBondContact O-CB 3.22Å; V192-N196 PolarHBondContact O-N 2.89Å; V192-N196 PolarHBondContact O-ND2 3.45Å
193A93.2Very high90.6Very high52 Ų5271.7 Ų71.743%0.4341%0.407SS..Hα-helixtrans-62.9-48176.500000112.1L189 L190 M191 L195 N196 V197L189-A193 PolarHBondContact O-N 3.15Å; L190-A193 WeakPolarHBondContact O-CB 3.27Å; L190-A193 PolarHBondContact O-N 2.94Å; M191-A193 VanDerWaalsContact C-N 3.31Å; M191-A193 PolarHBondContact O-N 2.87Å; A193-L195 VanDerWaalsContact C-N 3.35Å; A193-L195 PolarHBondContact O-N 3.46Å; A193-N196 PolarHBondContact O-N 3.47Å; A193-V197 WeakPolarHBondContact O-CG2 3.17Å; A193-V197 PolarHBondContact O-N 3.27Å
194I95Very high90.7Very high97 Ų9771.1 Ų71.150%0.49740%0.398SS..Hα-helixtrans-61.3-44.4177.7-66.5166.8000110.8L190 M191 V197 F198L190-I194 HydrophobicContact CD1-CD1 4.26Å; L190-I194 HydrophobicContact CG-CD1 4.05Å; L190-I194 WeakPolarHBondContact O-CG1 3.2Å; L190-I194 PolarHBondContact O-N 2.87Å; M191-I194 PolarHBondContact O-N 2.88Å; I194-V197 PolarHBondContact O-N 3.48Å; I194-F198 PolarHBondContact O-N 2.93Å
195L93.9Very high90.6Very high84 Ų8473 Ų7344%0.4441%0.408SS..Hα-helixtrans-60.9-46.1178.4-174.277.3000111.4M191 V192 A193 V197 F198 L199 M207M191-L195 WeakPolarHBondContact O-CB 3.28Å; M191-L195 PolarHBondContact O-N 3.38Å; V192-L195 PolarHBondContact O-N 3.08Å; A193-L195 VanDerWaalsContact C-N 3.35Å; A193-L195 PolarHBondContact O-N 3.46Å; L195-V197 VanDerWaalsContact C-N 3.35Å; L195-V197 PolarHBondContact O-N 3.3Å; L195-F198 WeakPolarHBondContact O-CB 3.37Å; L195-F198 PolarHBondContact O-N 3.09Å; L195-L199 HydrophobicContact CD2-CD1 4.14Å; L195-L199 HydrophobicContact CG-CD1 3.85Å; L195-L199 HydrophobicContact CG-CG 4.37Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.23Å; L195-L199 PolarHBondContact O-N 2.99Å; L195-M207 HydrophobicContact CD2-CB 3.87Å; L195-M207 HydrophobicContact CD2-CG 4.44Å
196N93.5Very high90.7Very high18 Ų1876.4 Ų76.410%0.09642%0.417CS..Hα-helixtrans-69-31.1-179.1-77.4-30.5000113V192 A193 F198 L199 S200 W206 M207V192-N196 WeakPolarHBondContact CG1-ND2 3.29Å; V192-N196 WeakPolarHBondContact O-CB 3.22Å; V192-N196 PolarHBondContact O-N 2.89Å; V192-N196 PolarHBondContact O-ND2 3.45Å; A193-N196 PolarHBondContact O-N 3.47Å; N196-F198 VanDerWaalsContact C-N 3.35Å; N196-L199 PolarHBondContact O-N 3.4Å; N196-S200 VanDerWaalsContact O-CB 3.23Å; N196-S200 WeakPolarHBondContact O-CB 3.36Å; N196-S200 PolarHBondContact O-N 2.88Å; N196-W206 WeakPolarHBondContact OD1-CA 3.29Å; N196-W206 WeakPolarHBondContact OD1-CB 3.26Å; N196-M207 PolarHBondContact ND2-O 3.46Å; N196-M207 VanDerWaalsContact ND2-O 3.08Å; N196-M207 PolarHBondContact OD1-N 2.92Å; N196-M207 PolarHBondContact OD1-O 3.35Å
197V91.9Very high90.6Very high92 Ų9273.6 Ų73.656%0.55841%0.406SS*.Hα-helixtrans-60-48169.5170.30000110.2A193 I194 L195 S200 L201A193-V197 WeakPolarHBondContact O-CG2 3.17Å; A193-V197 PolarHBondContact O-N 3.27Å; I194-V197 PolarHBondContact O-N 3.48Å; L195-V197 VanDerWaalsContact C-N 3.35Å; L195-V197 PolarHBondContact O-N 3.3Å; V197-S200 PolarHBondContact O-N 3.42Å; V197-L201 HydrophobicContact CG1-CD1 4.32Å; V197-L201 WeakPolarHBondContact O-CG 3.19Å; V197-L201 PolarHBondContact O-N 2.81Å; V197-L201 VanDerWaalsContact O-N 3.16Å
198F91.4Very high90.4Very high111 Ų11173.5 Ų73.549%0.48740%0.403SS..Hα-helixtrans-61-51176.9-177.4-89.9000111.4I194 L195 N196 S200 L201 F202I194-F198 PolarHBondContact O-N 2.93Å; L195-F198 WeakPolarHBondContact O-CB 3.37Å; L195-F198 PolarHBondContact O-N 3.09Å; N196-F198 VanDerWaalsContact C-N 3.35Å; F198-S200 VanDerWaalsContact C-N 3.29Å; F198-S200 PolarHBondContact O-N 3.45Å; F198-L201 PolarHBondContact O-N 3.35Å; F198-L201 VanDerWaalsContact O-N 3.09Å; F198-F202 AromaticContact CD1-CD2 3.9Å; F198-F202 HydrophobicContact CD1-CD2 3.9Å; F198-F202 HydrophobicContact CD1-CE2 4.2Å; F198-F202 HydrophobicContact CD2-CD2 4.11Å; F198-F202 AromaticContact CD2-CE2 3.63Å; F198-F202 HydrophobicContact CD2-CE2 3.63Å; F198-F202 AromaticContact CE1-CD2 3.62Å; F198-F202 HydrophobicContact CE1-CD2 3.62Å; F198-F202 AromaticContact CE1-CE2 3.79Å; F198-F202 HydrophobicContact CE1-CE2 3.79Å; F198-F202 AromaticContact CE2-CD2 3.88Å; F198-F202 HydrophobicContact CE2-CD2 3.88Å; F198-F202 AromaticContact CE2-CE2 3.18Å; F198-F202 HydrophobicContact CE2-CE2 3.18Å; F198-F202 AromaticContact CE2-CZ 3.99Å; F198-F202 HydrophobicContact CE2-CZ 3.99Å; F198-F202 HydrophobicContact CG-CD2 4.12Å; F198-F202 HydrophobicContact CG-CE2 4.13Å; F198-F202 AromaticContact CZ-CD2 3.62Å; F198-F202 HydrophobicContact CZ-CD2 3.62Å; F198-F202 AromaticContact CZ-CE2 3.26Å; F198-F202 HydrophobicContact CZ-CE2 3.26Å; F198-F202 AromaticContact CZ-CZ 3.99Å; F198-F202 HydrophobicContact CZ-CZ 3.99Å; F198-F202 VanDerWaalsContact O-CD2 3.27Å; F198-F202 WeakPolarHBondContact O-CD2 3.34Å; F198-F202 PolarHBondContact O-N 2.86Å
199L90.5Very high90.1Very high20 Ų2071.3 Ų71.311%0.10539%0.393CS..Hα-helixtrans-57.9-41.2179.6-67.2167.8000112L195 N196 L201 F202 G203 L204 M207L195-L199 HydrophobicContact CD2-CD1 4.14Å; L195-L199 HydrophobicContact CG-CD1 3.85Å; L195-L199 HydrophobicContact CG-CG 4.37Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.23Å; L195-L199 PolarHBondContact O-N 2.99Å; N196-L199 PolarHBondContact O-N 3.4Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 2.75Å; L199-F202 PolarHBondContact O-N 3.4Å; L199-G203 PolarHBondContact O-N 3.28Å; L199-G203 VanDerWaalsContact O-N 3.13Å; L199-L204 HydrophobicContact CB-CB 4.18Å; L199-L204 HydrophobicContact CD2-CB 3.63Å; L199-L204 HydrophobicContact CD2-CD1 3.84Å; L199-L204 HydrophobicContact CD2-CG 4.4Å; L199-L204 PolarHBondContact O-N 3.2Å; L199-M207 HydrophobicContact CD1-CB 3.98Å; L199-M207 HydrophobicContact CD1-CG 3.68Å
200S88.7Confident89.7Confident62 Ų6271 Ų7143%0.43440%0.398SS..Hα-helixtrans-63.9-35177.1-169.10000113.3N196 V197 F198 G203N196-S200 VanDerWaalsContact O-CB 3.23Å; N196-S200 WeakPolarHBondContact O-CB 3.36Å; N196-S200 PolarHBondContact O-N 2.88Å; V197-S200 PolarHBondContact O-N 3.42Å; F198-S200 VanDerWaalsContact C-N 3.29Å; F198-S200 PolarHBondContact O-N 3.45Å; S200-G203 PolarHBondContact O-N 3.25Å
201L86.5Confident89Confident75 Ų7567.3 Ų67.339%0.39338%0.379SS..Hα-helixtrans-69-37.6178.7-72169000111.9A137 I139 V197 F198 L199 G203A137-L201 PolarHBondContact N-O 2.93Å; I139-L201 HydrophobicContact CD1-CD2 4.48Å; V197-L201 HydrophobicContact CG1-CD1 4.32Å; V197-L201 WeakPolarHBondContact O-CG 3.19Å; V197-L201 PolarHBondContact O-N 2.81Å; V197-L201 VanDerWaalsContact O-N 3.16Å; F198-L201 PolarHBondContact O-N 3.35Å; F198-L201 VanDerWaalsContact O-N 3.09Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 2.75Å; L201-G203 VanDerWaalsContact C-N 3.32Å
202F85.4Confident88.4Confident74 Ų7463.4 Ų63.433%0.32536%0.361SS..THydrogen-bonded Turntrans-87.32.3178.9-70-77.7000113.9F198 L199 L204F198-F202 AromaticContact CD1-CD2 3.9Å; F198-F202 HydrophobicContact CD1-CD2 3.9Å; F198-F202 HydrophobicContact CD1-CE2 4.2Å; F198-F202 HydrophobicContact CD2-CD2 4.11Å; F198-F202 AromaticContact CD2-CE2 3.63Å; F198-F202 HydrophobicContact CD2-CE2 3.63Å; F198-F202 AromaticContact CE1-CD2 3.62Å; F198-F202 HydrophobicContact CE1-CD2 3.62Å; F198-F202 AromaticContact CE1-CE2 3.79Å; F198-F202 HydrophobicContact CE1-CE2 3.79Å; F198-F202 AromaticContact CE2-CD2 3.88Å; F198-F202 HydrophobicContact CE2-CD2 3.88Å; F198-F202 AromaticContact CE2-CE2 3.18Å; F198-F202 HydrophobicContact CE2-CE2 3.18Å; F198-F202 AromaticContact CE2-CZ 3.99Å; F198-F202 HydrophobicContact CE2-CZ 3.99Å; F198-F202 HydrophobicContact CG-CD2 4.12Å; F198-F202 HydrophobicContact CG-CE2 4.13Å; F198-F202 AromaticContact CZ-CD2 3.62Å; F198-F202 HydrophobicContact CZ-CD2 3.62Å; F198-F202 AromaticContact CZ-CE2 3.26Å; F198-F202 HydrophobicContact CZ-CE2 3.26Å; F198-F202 AromaticContact CZ-CZ 3.99Å; F198-F202 HydrophobicContact CZ-CZ 3.99Å; F198-F202 VanDerWaalsContact O-CD2 3.27Å; F198-F202 WeakPolarHBondContact O-CD2 3.34Å; F198-F202 PolarHBondContact O-N 2.86Å; L199-F202 PolarHBondContact O-N 3.4Å; F202-L204 HydrophobicContact CB-CD1 3.9Å; F202-L204 HydrophobicContact CB-CG 3.99Å; F202-L204 PolarHBondContact O-N 3.1Å
203G81.8Confident88Confident61 Ų6167.8 Ų67.863%0.62938%0.38SS*.THydrogen-bonded Turntrans6522.8-177.100000113.7L199 S200 L201L199-G203 PolarHBondContact O-N 3.28Å; L199-G203 VanDerWaalsContact O-N 3.13Å; S200-G203 PolarHBondContact O-N 3.25Å; L201-G203 VanDerWaalsContact C-N 3.32Å
204L85.2Confident87.7Confident60 Ų6066.6 Ų66.631%0.31437%0.368SS..PPolyproline II helixtrans-83.8151.7177.5-68169.9000110.2I133 L199 F202I133-L204 HydrophobicContact CG2-CD2 4.32Å; L199-L204 HydrophobicContact CB-CB 4.18Å; L199-L204 HydrophobicContact CD2-CB 3.63Å; L199-L204 HydrophobicContact CD2-CD1 3.84Å; L199-L204 HydrophobicContact CD2-CG 4.4Å; L199-L204 PolarHBondContact O-N 3.2Å; F202-L204 HydrophobicContact CB-CD1 3.9Å; F202-L204 HydrophobicContact CB-CG 3.99Å; F202-L204 PolarHBondContact O-N 3.1Å
205P87.5Confident87.3Confident103 Ų10364 Ų6467%0.66936%0.357SS*.PPolyproline II helixtrans-61.2141.8175.627.5-35000110.5
206W90Very high86.8Confident109 Ų10963.1 Ų63.141%0.41335%0.353SS..PPolyproline II helixtrans-70.3152.7177.7-58-27.5000111.7L157 F161 N196L157-W206 HydrophobicContact CB-CZ3 4.41Å; L157-W206 HydrophobicContact CD1-CH2 3.82Å; L157-W206 HydrophobicContact CD1-CZ3 3.52Å; L157-W206 HydrophobicContact CD2-CZ3 4.34Å; L157-W206 HydrophobicContact CG-CZ3 4.29Å; F161-W206 HydrophobicContact CE2-CB 4.08Å; F161-W206 HydrophobicContact CE2-CD2 4.34Å; F161-W206 AromaticContact CE2-CE3 3.93Å; F161-W206 HydrophobicContact CE2-CE3 3.93Å; F161-W206 HydrophobicContact CE2-CG 4.45Å; F161-W206 HydrophobicContact CZ-CB 3.87Å; F161-W206 HydrophobicContact CZ-CD2 4.4Å; F161-W206 AromaticContact CZ-CE3 3.78Å; F161-W206 HydrophobicContact CZ-CE3 3.78Å; N196-W206 WeakPolarHBondContact OD1-CA 3.29Å; N196-W206 WeakPolarHBondContact OD1-CB 3.26Å
207M89.8Confident86.6Confident101 Ų10165 Ų6550%0.49836%0.361SS..  trans-119.2139.8-178.9-65.6-65.2-65.200109.7L195 N196 L199L195-M207 HydrophobicContact CD2-CB 3.87Å; L195-M207 HydrophobicContact CD2-CG 4.44Å; N196-M207 PolarHBondContact ND2-O 3.46Å; N196-M207 VanDerWaalsContact ND2-O 3.08Å; N196-M207 PolarHBondContact OD1-N 2.92Å; N196-M207 PolarHBondContact OD1-O 3.35Å; L199-M207 HydrophobicContact CD1-CB 3.98Å; L199-M207 HydrophobicContact CD1-CG 3.68Å
208H88.9Confident86.4Confident84 Ų8461.3 Ų61.339%0.38934%0.338SS..  trans-145.4171.6175.466.198.8000109.8F161 D164 A210F161-H208 HydrophobicContact CD1-CB 3.81Å; F161-H208 HydrophobicContact CE1-CB 3.99Å; F161-H208 AromaticContact CE1-CD2 3.82Å; F161-H208 HydrophobicContact CG-CB 4.38Å; D164-H208 IonicContact OD2-CE1 3.83Å; D164-H208 IonicContact OD2-ND1 2.95Å; D164-H208 PolarHBondContact OD2-ND1 3.05Å; H208-A210 PolarHBondContact O-N 3.38Å
209A86.5Confident86.1Confident16 Ų1659.5 Ų59.513%0.13233%0.328CS..  trans-63.3129.7174.800000111Q165 T168Q165-A209 VanDerWaalsContact OE1-CB 3.32Å; T168-A209 HydrophobicContact CG2-CB 3.92Å
210A82.5Confident85.8Confident45 Ų4561.7 Ų61.737%0.37235%0.349SS..  trans-106.6123.6-176.200000111.7H208 H213 S214H208-A210 PolarHBondContact O-N 3.38Å; A210-H213 HydrophobicContact CB-CB 4.35Å; A210-H213 PolarHBondContact O-N 3.45Å; A210-S214 PolarHBondContact O-N 3.24Å; A210-S214 PolarHBondContact O-OG 3.09Å
211L80Confident85.8Confident25 Ų2560.4 Ų60.413%0.13134%0.337CS..THydrogen-bonded Turntrans-94.6129.5163.1-69.2166.4000107.5F6 I10 I167 T168 I171 P215F6-L211 HydrophobicContact CD1-CD1 3.58Å; F6-L211 HydrophobicContact CE1-CD1 3.58Å; I10-L211 HydrophobicContact CG1-CB 4.48Å; I10-L211 HydrophobicContact CG2-CB 4.44Å; I167-L211 HydrophobicContact CG2-CD1 4.17Å; T168-L211 HydrophobicContact CG2-CD2 4.2Å; T168-L211 HydrophobicContact CG2-CG 4.45Å; I171-L211 HydrophobicContact CD1-CD1 3.9Å; I171-L211 HydrophobicContact CD1-CD2 3.87Å; L211-P215 HydrophobicContact CD2-CG 3.92Å
212P81Confident85.9Confident19 Ų1957.2 Ų57.212%0.12332%0.321CS..THydrogen-bonded Turncis-104.37.519.837.1-21.3000112.5F14 S214 P215 L216 M281F14-P212 HydrophobicContact CD2-CG 4.42Å; F14-P212 HydrophobicContact CE2-CG 3.63Å; F14-P212 HydrophobicContact CZ-CG 4.34Å; P212-S214 PolarHBondContact O-N 3Å; P212-P215 VanDerWaalsContact O-CD 3.25Å; P212-P215 WeakPolarHBondContact O-CD 3.48Å; P212-P215 VanDerWaalsContact O-CG 3.29Å; P212-P215 WeakPolarHBondContact O-CG 3.43Å; P212-L216 VanDerWaalsContact O-CB 3.32Å; P212-L216 WeakPolarHBondContact O-CB 3.46Å; P212-L216 PolarHBondContact O-N 3.41Å; P212-L216 VanDerWaalsContact O-N 3.09Å; P212-M281 HydrophobicContact CG-CB 4.03Å; P212-M281 HydrophobicContact CG-SD 4.25Å
213H84.8Confident85.9Confident116 Ų11656.6 Ų56.654%0.53732%0.322SS..Hα-helixtrans-62.7-42.3-172.3-178.3-93.6000112A210 L216 H217A210-H213 HydrophobicContact CB-CB 4.35Å; A210-H213 PolarHBondContact O-N 3.45Å; H213-L216 PolarHBondContact O-N 3.22Å; H213-H217 WeakPolarHBondContact O-CB 3.4Å; H213-H217 PolarHBondContact O-N 3.23Å
214S88.1Confident85.9Confident26 Ų2654.9 Ų54.918%0.18230%0.299CS..Hα-helixtrans-63.7-49.8-177.6-46.90000113.6A210 P212 L216 H217 L218A210-S214 PolarHBondContact O-N 3.24Å; A210-S214 PolarHBondContact O-OG 3.09Å; P212-S214 PolarHBondContact O-N 3Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.48Å; S214-H217 PolarHBondContact O-N 2.95Å; S214-L218 PolarHBondContact O-N 3.48Å
215P84.7Confident85.6Confident43 Ų4355.5 Ų55.528%0.27930%0.3SS..Hα-helixtrans-67.5-32173.823.9-32.6000112.8I171 L211 P212 L218 R219I171-P215 HydrophobicContact CG2-CB 4.35Å; L211-P215 HydrophobicContact CD2-CG 3.92Å; P212-P215 VanDerWaalsContact O-CD 3.25Å; P212-P215 WeakPolarHBondContact O-CD 3.48Å; P212-P215 VanDerWaalsContact O-CG 3.29Å; P212-P215 WeakPolarHBondContact O-CG 3.43Å; P215-L218 PolarHBondContact O-N 3.41Å; P215-R219 WeakPolarHBondContact O-CB 3.44Å; P215-R219 PolarHBondContact O-N 3.33Å
216L84.7Confident85.1Confident65 Ų6555 Ų5534%0.3429%0.289SS..Hα-helixtrans-64.5-41.8175-174.365.7000111.7P212 H213 S214 R219 A220P212-L216 VanDerWaalsContact O-CB 3.32Å; P212-L216 WeakPolarHBondContact O-CB 3.46Å; P212-L216 PolarHBondContact O-N 3.41Å; P212-L216 VanDerWaalsContact O-N 3.09Å; H213-L216 PolarHBondContact O-N 3.22Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.48Å; L216-R219 PolarHBondContact O-N 3.21Å; L216-A220 PolarHBondContact O-N 3.15Å
217H88Confident84.4Confident57 Ų5755.4 Ų55.426%0.26429%0.29SS..Hα-helixtrans-64.2-41174.7177.1-96.9000111.9H213 S214 R219 A220 L221H213-H217 WeakPolarHBondContact O-CB 3.4Å; H213-H217 PolarHBondContact O-N 3.23Å; S214-H217 PolarHBondContact O-N 2.95Å; H217-R219 VanDerWaalsContact C-N 3.33Å; H217-A220 PolarHBondContact O-N 3.35Å; H217-L221 WeakPolarHBondContact CE1-CD1 3.37Å; H217-L221 PolarHBondContact O-N 3.03Å
218L88.6Confident83.6Confident15 Ų1555.5 Ų55.58%0.07930%0.296CS..Hα-helixtrans-60.3-44.9172.6179.3146.8000111.1I172 N177 L179 S214 P215 A220 L221 A222 I237 V240I172-L218 HydrophobicContact CB-CD1 4.47Å; I172-L218 HydrophobicContact CG2-CD1 3.77Å; N177-L218 HydrophobicContact CB-CD1 4.21Å; N177-L218 HydrophobicContact CB-CD2 4.21Å; L179-L218 HydrophobicContact CD1-CD1 4.23Å; L179-L218 HydrophobicContact CD2-CD1 4.05Å; L179-L218 HydrophobicContact CG-CD1 4.48Å; S214-L218 PolarHBondContact O-N 3.48Å; P215-L218 PolarHBondContact O-N 3.41Å; L218-A220 PolarHBondContact O-N 3.04Å; L218-L221 CarbonylContact O-C 3.54Å; L218-L221 PolarHBondContact O-N 3.18Å; L218-L221 VanDerWaalsContact O-N 3.1Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.3Å; L218-A222 VanDerWaalsContact O-N 3.13Å; L218-I237 HydrophobicContact CD2-CD1 4.29Å; L218-V240 HydrophobicContact CG-CG1 4.38Å
219R84.6Confident82.3Confident73 Ų7354.8 Ų54.828%0.27530%0.301SS..Hα-helixtrans-63.2-39.8179.7-171.9173.2-175.7143.612.4112.2Y81 P215 L216 H217 L221 A222 E235Y81-R219 PolarHBondContact OH-NH2 2.91Å; P215-R219 WeakPolarHBondContact O-CB 3.44Å; P215-R219 PolarHBondContact O-N 3.33Å; L216-R219 PolarHBondContact O-N 3.21Å; H217-R219 VanDerWaalsContact C-N 3.33Å; R219-L221 PolarHBondContact O-N 3.1Å; R219-A222 WeakPolarHBondContact O-CB 3.46Å; R219-A222 PolarHBondContact O-N 3.1Å; R219-A222 VanDerWaalsContact O-N 3.08Å; R219-E235 IonicContact NH2-OE2 3.48Å; R219-E235 PolarHBondContact NH2-OE2 3.19Å
220A85Confident81Confident66 Ų6659.4 Ų59.455%0.54532%0.319SS..Hα-helixtrans-65.7-17.8175.700000113.7L216 H217 L218L216-A220 PolarHBondContact O-N 3.15Å; H217-A220 PolarHBondContact O-N 3.35Å; L218-A220 PolarHBondContact O-N 3.04Å
221L88.4Confident79.9Confident36 Ų3660.4 Ų60.419%0.18833%0.334CS..THydrogen-bonded Turntrans-101.4-1.7174.9-67.4172.4000112.9H217 L218 R219 V240 R241H217-L221 WeakPolarHBondContact CE1-CD1 3.37Å; H217-L221 PolarHBondContact O-N 3.03Å; L218-L221 CarbonylContact O-C 3.54Å; L218-L221 PolarHBondContact O-N 3.18Å; L218-L221 VanDerWaalsContact O-N 3.1Å; R219-L221 PolarHBondContact O-N 3.1Å; L221-V240 HydrophobicContact CB-CG1 4.45Å; L221-R241 PolarHBondContact O-N 3.41Å
222A88.2Confident79Confident8 Ų863.2 Ų63.27%0.06635%0.346CS..EExtended strand (participates in β ladder)trans-99.3129.6-174.600000111.2L218 R219 V224 I237 Y239 V240L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.3Å; L218-A222 VanDerWaalsContact O-N 3.13Å; R219-A222 WeakPolarHBondContact O-CB 3.46Å; R219-A222 PolarHBondContact O-N 3.1Å; R219-A222 VanDerWaalsContact O-N 3.08Å; A222-V224 PolarHBondContact O-N 3.14Å; A222-I237 HydrophobicContact CB-CD1 4.43Å; A222-I237 HydrophobicContact CB-CG1 4.25Å; A222-I237 HydrophobicContact CB-CG2 3.89Å; A222-Y239 CarbonylContact C-O 3.59Å; A222-Y239 WeakPolarHBondContact CA-O 3.36Å; A222-V240 HydrophobicContact CB-CG2 3.9Å
223D85.6Confident78.3Confident61 Ų6166.4 Ų66.433%0.32637%0.366SS..EExtended strand (participates in β ladder)trans-80.6106.9169.5-69-40.1000108.5T238 Y239 R241D223-T238 PolarHBondContact O-N 3.29Å; D223-T238 PolarHBondContact O-OG1 3.34Å; D223-Y239 PolarHBondContact N-O 3.17Å; D223-R241 IonicContact OD1-CZ 3.25Å; D223-R241 IonicContact OD1-NH2 3.65Å; D223-R241 PolarHBondContact OD1-NH2 2.9Å; D223-R241 IonicContact OD2-CZ 3.88Å; D223-R241 IonicContact OD2-NE 3.65Å; D223-R241 PolarHBondContact OD2-NE 3.48Å; D223-R241 IonicContact OD2-NH2 3.56Å; D223-R241 PolarHBondContact OD2-NH2 3.46Å
224V82.2Confident77.5Confident25 Ų2564.5 Ų64.515%0.15236%0.357CS..EExtended strand (participates in β ladder)trans-92123.9-179.1-176.60000109.9A222 E235 I237A222-V224 PolarHBondContact O-N 3.14Å; V224-E235 HydrophobicContact CG1-CB 3.66Å; V224-E235 HydrophobicContact CG1-CG 4.05Å; V224-I237 HydrophobicContact CG2-CG1 4.35Å
225E79.4Confident76.8Confident73 Ų7366.4 Ų66.434%0.34136%0.363SS..EExtended strand (participates in β ladder)trans-109.7136.5171.6-69-173.9163.500110.9R227 V236 T238E225-R227 PolarHBondContact O-N 3.23Å; E225-R227 IonicContact OE2-CZ 2.68Å; E225-R227 IonicContact OE2-NE 3.47Å; E225-R227 IonicContact OE2-NH2 3.83Å; E225-R227 PolarHBondContact OE2-NH2 3.33Å; E225-V236 PolarHBondContact N-O 3.48Å; E225-V236 PolarHBondContact O-N 3.13Å; E225-T238 HydrophobicContact CB-CG2 3.7Å; E225-T238 VanDerWaalsContact CD-CG2 3.41Å; E225-T238 HydrophobicContact CG-CG2 3.5Å; E225-T238 VanDerWaalsContact CG-CG2 3.5Å; E225-T238 VanDerWaalsContact OE2-CG2 3.24Å; E225-T238 WeakPolarHBondContact OE2-CG2 3.4Å
226E76.1Confident76.5Confident93 Ų9366.5 Ų66.544%0.43536%0.362SS..EExtended strand (participates in β ladder)trans-77.5114.8167.4-72.9177.3-175.500109V233 E235E226-V233 HydrophobicContact CB-CG1 3.69Å; E226-V233 HydrophobicContact CG-CG1 3.86Å; E226-E235 HydrophobicContact CG-CG 4.2Å
227R75Confident76.4Confident116 Ų11664.7 Ų64.744%0.43835%0.353SS..EExtended strand (participates in β ladder)trans-112.3128.4173.3-66.4-168.5-179.6-179.6-0.8109.7E225 S229 H234 V236E225-R227 PolarHBondContact O-N 3.23Å; E225-R227 IonicContact OE2-CZ 2.68Å; E225-R227 IonicContact OE2-NE 3.47Å; E225-R227 IonicContact OE2-NH2 3.83Å; E225-R227 PolarHBondContact OE2-NH2 3.33Å; R227-S229 PolarHBondContact O-N 3.01Å; R227-H234 PolarHBondContact N-O 2.71Å; R227-H234 PolarHBondContact O-N 2.91Å; R227-V236 HydrophobicContact CB-CG2 4.42Å
228V72.7Confident76.2Confident103 Ų10363.7 Ų63.762%0.62435%0.351SS*.EExtended strand (participates in β ladder)trans-85.4104.1174.8-171.70000108.2H232 V233V228-H232 WeakPolarHBondContact CA-O 3.46Å; V228-V233 HydrophobicContact CG2-CG2 4.21Å
229S62.3Low76.1Confident69 Ų6968 Ų6848%0.48337%0.367SS..EExtended strand (participates in β ladder)trans-107.5118.7170.9-74.30000108.1R227 G231 H232R227-S229 PolarHBondContact O-N 3.01Å; S229-G231 VanDerWaalsContact C-N 3.29Å; S229-G231 PolarHBondContact O-N 3.13Å; S229-H232 PolarHBondContact N-O 3.48Å; S229-H232 PolarHBondContact O-N 3.49Å; S229-H232 VanDerWaalsContact O-N 3.16Å
230Q58.4Low76.4Confident113 Ų11365 Ų6553%0.52836%0.357SS..THydrogen-bonded Turntrans55.737.7175.5-51.5-171.112.200114.5H232 P307 R312Q230-H232 VanDerWaalsContact C-N 3.29Å; Q230-H232 PolarHBondContact O-N 3.41Å; Q230-P307 HydrophobicContact CB-CG 4.33Å; Q230-P307 PolarHBondContact OE1-O 3.26Å; Q230-R312 VanDerWaalsContact OE1-CZ 3.26Å
231G61.1Low76.7Confident66 Ų6668 Ų6868%0.6835%0.354SS*.THydrogen-bonded Turntrans84.2-6.5177.700000115.1S229S229-G231 VanDerWaalsContact C-N 3.29Å; S229-G231 PolarHBondContact O-N 3.13Å
232H60.7Low76.7Confident84 Ų8468.7 Ų68.739%0.38936%0.356SS..EExtended strand (participates in β ladder)trans-103.1135.3171.1-73.9-78.2000111.4V228 S229 Q230 H234 P307V228-H232 WeakPolarHBondContact CA-O 3.46Å; S229-H232 PolarHBondContact N-O 3.48Å; S229-H232 PolarHBondContact O-N 3.49Å; S229-H232 VanDerWaalsContact O-N 3.16Å; Q230-H232 VanDerWaalsContact C-N 3.29Å; Q230-H232 PolarHBondContact O-N 3.41Å; H232-H234 PolarHBondContact O-N 3.18Å; H232-P307 VanDerWaalsContact CD2-CD 3.48Å; H232-P307 WeakPolarHBondContact CD2-CD 3.3Å; H232-P307 WeakPolarHBondContact NE2-CD 3.39Å
233V66.1Low76.8Confident87 Ų8771.6 Ų71.653%0.52737%0.373SS..EExtended strand (participates in β ladder)trans-80.3110.3174-172.90000107.6E226 V228E226-V233 HydrophobicContact CB-CG1 3.69Å; E226-V233 HydrophobicContact CG-CG1 3.86Å; V228-V233 HydrophobicContact CG2-CG2 4.21Å
234H67.2Low77.1Confident75 Ų7579.4 Ų79.435%0.34740%0.398SS..EExtended strand (participates in β ladder)trans-106.7133.2172.6-68.6-78.2000109.8R227 H232 V236R227-H234 PolarHBondContact N-O 2.71Å; R227-H234 PolarHBondContact O-N 2.91Å; H232-H234 PolarHBondContact O-N 3.18Å; H234-V236 PolarHBondContact O-N 3.22Å
235E73.4Confident77.6Confident67 Ų6783.9 Ų83.931%0.31342%0.42SS..EExtended strand (participates in β ladder)trans-78.8114.7170.9-72.4178-169.800108.4R84 R219 V224 E226R84-E235 IonicContact CZ-OE1 2.64Å; R84-E235 IonicContact CZ-OE2 2.99Å; R84-E235 IonicContact NE-OE1 3.58Å; R84-E235 IonicContact NH2-OE1 3.59Å; R84-E235 PolarHBondContact NH2-OE1 2.84Å; R84-E235 IonicContact NH2-OE2 2.9Å; R84-E235 PolarHBondContact NH2-OE2 3.45Å; R219-E235 IonicContact NH2-OE2 3.48Å; R219-E235 PolarHBondContact NH2-OE2 3.19Å; V224-E235 HydrophobicContact CG1-CB 3.66Å; V224-E235 HydrophobicContact CG1-CG 4.05Å; E226-E235 HydrophobicContact CG-CG 4.2Å
236V78.9Confident78.1Confident44 Ų4481.8 Ų81.827%0.26742%0.416SS..EExtended strand (participates in β ladder)trans-114.8127.3178.6-179.20000108.7E225 R227 H234 T238E225-V236 PolarHBondContact N-O 3.48Å; E225-V236 PolarHBondContact O-N 3.13Å; R227-V236 HydrophobicContact CB-CG2 4.42Å; H234-V236 PolarHBondContact O-N 3.22Å; V236-T238 PolarHBondContact O-N 3.06Å
237I82.2Confident78.8Confident27 Ų2780 Ų8014%0.13841%0.411CS..EExtended strand (participates in β ladder)trans-66.4122.3170.2-64.1166.8000108N177 K178 L218 A222 V224 V240N177-I237 WeakPolarHBondContact OD1-CD1 3.33Å; K178-I237 WeakPolarHBondContact CD-O 3.45Å; K178-I237 WeakPolarHBondContact CE-O 3.28Å; K178-I237 PolarHBondContact NZ-O 2.97Å; L218-I237 HydrophobicContact CD2-CD1 4.29Å; A222-I237 HydrophobicContact CB-CD1 4.43Å; A222-I237 HydrophobicContact CB-CG1 4.25Å; A222-I237 HydrophobicContact CB-CG2 3.89Å; V224-I237 HydrophobicContact CG2-CG1 4.35Å; I237-V240 HydrophobicContact CG2-CG2 3.53Å
238T83.1Confident79.6Confident36 Ų3681 Ų8122%0.22142%0.419CS..EExtended strand (participates in β ladder)trans-96.7-41.6-179.255.90000112.5D223 E225 V236D223-T238 PolarHBondContact O-N 3.29Å; D223-T238 PolarHBondContact O-OG1 3.34Å; E225-T238 HydrophobicContact CB-CG2 3.7Å; E225-T238 VanDerWaalsContact CD-CG2 3.41Å; E225-T238 HydrophobicContact CG-CG2 3.5Å; E225-T238 VanDerWaalsContact CG-CG2 3.5Å; E225-T238 VanDerWaalsContact OE2-CG2 3.24Å; E225-T238 WeakPolarHBondContact OE2-CG2 3.4Å; V236-T238 PolarHBondContact O-N 3.06Å
239Y87.8Confident80.7Confident106 Ų10680.2 Ų80.242%0.41641%0.41SS..EExtended strand (participates in β ladder)trans-150.6138.5-175.6179.3-111.2000109.7A222 D223 R241A222-Y239 CarbonylContact C-O 3.59Å; A222-Y239 WeakPolarHBondContact CA-O 3.36Å; D223-Y239 PolarHBondContact N-O 3.17Å; Y239-R241 HydrophobicContact CD1-CG 4.13Å; Y239-R241 HydrophobicContact CE1-CG 3.64Å
240V90.1Very high82Confident11 Ų1178.9 Ų78.97%0.06740%0.401CS..EExtended strand (participates in β ladder)trans-117127.7175.5-178.40000109.1N177 L179 L218 L221 A222 I237 E242N177-V240 WeakPolarHBondContact O-CG2 3.46Å; L179-V240 HydrophobicContact CD2-CB 3.96Å; L179-V240 HydrophobicContact CD2-CG1 3.83Å; L179-V240 HydrophobicContact CD2-CG2 4.22Å; L218-V240 HydrophobicContact CG-CG1 4.38Å; L221-V240 HydrophobicContact CB-CG1 4.45Å; A222-V240 HydrophobicContact CB-CG2 3.9Å; I237-V240 HydrophobicContact CG2-CG2 3.53Å; V240-E242 PolarHBondContact O-N 2.87Å; V240-E242 VanDerWaalsContact O-N 3.15Å
241R90.8Very high83.6Confident127 Ų12779.3 Ų79.348%0.47940%0.403SS..  trans-81.888.5177-66.3174.5-165.7166.611.8110.1L221 D223 Y239 T243L221-R241 PolarHBondContact O-N 3.41Å; D223-R241 IonicContact OD1-CZ 3.25Å; D223-R241 IonicContact OD1-NH2 3.65Å; D223-R241 PolarHBondContact OD1-NH2 2.9Å; D223-R241 IonicContact OD2-CZ 3.88Å; D223-R241 IonicContact OD2-NE 3.65Å; D223-R241 PolarHBondContact OD2-NE 3.48Å; D223-R241 IonicContact OD2-NH2 3.56Å; D223-R241 PolarHBondContact OD2-NH2 3.46Å; Y239-R241 HydrophobicContact CD1-CG 4.13Å; Y239-R241 HydrophobicContact CE1-CG 3.64Å; R241-T243 PolarHBondContact O-N 2.89Å
242E89.9Confident85.1Confident52 Ų5278.6 Ų78.624%0.24339%0.387CS..  trans-7491.3178.4-65170.9-17600112L179 R180 K181 V240L179-E242 WeakPolarHBondContact CA-OE1 3.35Å; L179-E242 HydrophobicContact CD2-CG 4.23Å; R180-E242 PolarHBondContact N-OE1 3.33Å; K181-E242 WeakPolarHBondContact CB-OE2 3.28Å; K181-E242 WeakPolarHBondContact CD-OE2 3.44Å; K181-E242 WeakPolarHBondContact CE-OE2 3.32Å; K181-E242 WeakPolarHBondContact CG-OE2 3.34Å; K181-E242 PolarHBondContact N-OE1 3.48Å; K181-E242 PolarHBondContact N-OE2 2.93Å; K181-E242 PolarHBondContact NZ-O 2.94Å; K181-E242 IonicContact NZ-OE2 3.54Å; V240-E242 PolarHBondContact O-N 2.87Å; V240-E242 VanDerWaalsContact O-N 3.15Å
243T90.7Very high86.5Confident68 Ų6880.2 Ų80.242%0.41740%0.398SS..  trans-117141.9179.270.20000112R241R241-T243 PolarHBondContact O-N 2.89Å
244R90.9Very high87.6Confident226 Ų22681 Ų8185%0.85340%0.398SS*.SBendtrans-90.3-17172.2-64-178.3179.8175.7-0.9112.8T247 F248R244-T247 PolarHBondContact O-OG1 3.31Å; R244-T247 VanDerWaalsContact O-OG1 3.05Å; R244-F248 WeakPolarHBondContact O-CB 3.47Å; R244-F248 PolarHBondContact O-N 3.42Å; R244-F248 VanDerWaalsContact O-N 3.12Å
245L92.1Very high88.5Confident119 Ų11979.5 Ų79.562%0.62340%0.403SS*.Hα-helixtrans-72.1-34.2-176.7-177.5139.7000111.5F248 L249L245-F248 PolarHBondContact O-N 2.85Å; L245-L249 HydrophobicContact CD2-CD1 3.4Å; L245-L249 HydrophobicContact CD2-CG 4.08Å; L245-L249 HydrophobicContact CG-CD1 4.06Å; L245-L249 HydrophobicContact CG-CG 4.22Å; L245-L249 VanDerWaalsContact O-CB 3.3Å; L245-L249 WeakPolarHBondContact O-CB 3.49Å; L245-L249 VanDerWaalsContact O-CG 3.29Å; L245-L249 WeakPolarHBondContact O-CG 3.4Å; L245-L249 PolarHBondContact O-N 3.31Å
246A91.1Very high89Confident29 Ų2979.9 Ų79.924%0.2441%0.41CS..Hα-helixtrans-60.3-48.3176.500000112.1S250A246-S250 WeakPolarHBondContact O-CB 3.38Å; A246-S250 PolarHBondContact O-N 3.5Å; A246-S250 PolarHBondContact O-OG 3.08Å
247T89.8Confident89.1Confident54 Ų5480 Ų8033%0.33141%0.413SS..Hα-helixtrans-70.1-39.4178.253.80000112.3R244 S250 H251R244-T247 PolarHBondContact O-OG1 3.31Å; R244-T247 VanDerWaalsContact O-OG1 3.05Å; T247-S250 WeakPolarHBondContact CA-OG 3.32Å; T247-S250 PolarHBondContact O-N 2.95Å; T247-S250 PolarHBondContact O-OG 2.93Å; T247-H251 PolarHBondContact O-CD2 2.94Å; T247-H251 PolarHBondContact O-N 3.49Å
248F93.2Very high88.9Confident139 Ų13980.9 Ų80.961%0.6142%0.424SS*.Hα-helixtrans-60.6-49.4174.8179.4-100.5000111.5R244 L245 S250 H251 C252R244-F248 WeakPolarHBondContact O-CB 3.47Å; R244-F248 PolarHBondContact O-N 3.42Å; R244-F248 VanDerWaalsContact O-N 3.12Å; L245-F248 PolarHBondContact O-N 2.85Å; F248-S250 PolarHBondContact O-N 3.35Å; F248-H251 PolarHBondContact O-N 3.47Å; F248-C252 WeakPolarHBondContact O-CB 3.36Å; F248-C252 PolarHBondContact O-N 3.25Å; F248-C252 PolarHBondContact O-SG 3.09Å
249L94.2Very high88.5Confident85 Ų8586.7 Ų86.745%0.44545%0.453SS..Hα-helixtrans-64.1-40.3178-73.2-178.6000112.2L245 C252 L253L245-L249 HydrophobicContact CD2-CD1 3.4Å; L245-L249 HydrophobicContact CD2-CG 4.08Å; L245-L249 HydrophobicContact CG-CD1 4.06Å; L245-L249 HydrophobicContact CG-CG 4.22Å; L245-L249 VanDerWaalsContact O-CB 3.3Å; L245-L249 WeakPolarHBondContact O-CB 3.49Å; L245-L249 VanDerWaalsContact O-CG 3.29Å; L245-L249 WeakPolarHBondContact O-CG 3.4Å; L245-L249 PolarHBondContact O-N 3.31Å; L249-C252 PolarHBondContact O-N 3.45Å; L249-L253 WeakPolarHBondContact O-CB 3.45Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 3.45Å
250S90.9Very high87.7Confident41 Ų4187.8 Ų87.829%0.28747%0.465SS..Hα-helixtrans-63.2-43.7178.270.40000111.4A246 T247 F248 L253 I254A246-S250 WeakPolarHBondContact O-CB 3.38Å; A246-S250 PolarHBondContact O-N 3.5Å; A246-S250 PolarHBondContact O-OG 3.08Å; T247-S250 WeakPolarHBondContact CA-OG 3.32Å; T247-S250 PolarHBondContact O-N 2.95Å; T247-S250 PolarHBondContact O-OG 2.93Å; F248-S250 PolarHBondContact O-N 3.35Å; S250-L253 PolarHBondContact O-N 2.96Å; S250-I254 WeakPolarHBondContact O-CD1 3.25Å; S250-I254 VanDerWaalsContact O-CG1 3.22Å; S250-I254 WeakPolarHBondContact O-CG1 3.49Å; S250-I254 PolarHBondContact O-N 3.04Å
251H91.4Very high86.5Confident123 Ų12390.7 Ų90.757%0.56948%0.48SS*.Hα-helixtrans-67.5-38.2175.6-73.1-59.3000112.9T247 F248 L253 I254 G255T247-H251 PolarHBondContact O-CD2 2.94Å; T247-H251 PolarHBondContact O-N 3.49Å; F248-H251 PolarHBondContact O-N 3.47Å; H251-L253 VanDerWaalsContact C-N 3.34Å; H251-L253 PolarHBondContact O-N 2.92Å; H251-I254 PolarHBondContact O-N 2.94Å; H251-G255 PolarHBondContact O-N 3.26Å
252C92.5Very high85.2Confident51 Ų5186.2 Ų86.235%0.34547%0.465SS..Hα-helixtrans-61.6-41.6171.9-72.90000111.9F248 L249 G255 T256F248-C252 WeakPolarHBondContact O-CB 3.36Å; F248-C252 PolarHBondContact O-N 3.25Å; F248-C252 PolarHBondContact O-SG 3.09Å; L249-C252 PolarHBondContact O-N 3.45Å; C252-G255 PolarHBondContact O-N 3.14Å; C252-T256 WeakPolarHBondContact O-CB 3.41Å; C252-T256 PolarHBondContact O-N 3.02Å; C252-T256 PolarHBondContact O-OG1 3.19Å
253L90.6Very high83.9Confident118 Ų11887.2 Ų87.262%0.61848%0.477SS*.Hα-helixtrans-67.3-39.3176.4-74.3168.8000111.9L249 S250 H251 T256 S257L249-L253 WeakPolarHBondContact O-CB 3.45Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 3.45Å; S250-L253 PolarHBondContact O-N 2.96Å; H251-L253 VanDerWaalsContact C-N 3.34Å; H251-L253 PolarHBondContact O-N 2.92Å; L253-T256 PolarHBondContact O-N 2.85Å; L253-S257 WeakPolarHBondContact O-CB 3.37Å; L253-S257 PolarHBondContact O-N 3.45Å; L253-S257 PolarHBondContact O-OG 3.47Å
254I88Confident82.7Confident102 Ų10291.5 Ų91.552%0.52349%0.494SS..Hα-helixtrans-62.7-43.7173.1-68.2162.4000110.6S250 H251 S257 A258S250-I254 WeakPolarHBondContact O-CD1 3.25Å; S250-I254 VanDerWaalsContact O-CG1 3.22Å; S250-I254 WeakPolarHBondContact O-CG1 3.49Å; S250-I254 PolarHBondContact O-N 3.04Å; H251-I254 PolarHBondContact O-N 2.94Å; I254-S257 WeakPolarHBondContact CA-OG 3.31Å; I254-S257 PolarHBondContact O-N 3.4Å; I254-S257 PolarHBondContact O-OG 2.9Å; I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.26Å
255G87Confident81.6Confident44 Ų4483.8 Ų83.845%0.45447%0.473SS..Hα-helixtrans-64.3-42.1176.300000112.6H251 C252 A258 L259H251-G255 PolarHBondContact O-N 3.26Å; C252-G255 PolarHBondContact O-N 3.14Å; G255-A258 PolarHBondContact O-N 3.02Å; G255-L259 PolarHBondContact O-N 3.1Å; G255-L259 VanDerWaalsContact O-N 3.09Å
256T84.8Confident80.6Confident76 Ų7681.5 Ų81.547%0.46646%0.461SS..Hα-helixtrans-69.5-38.9177.8-51.50000111.4C252 L253 L259 L260C252-T256 WeakPolarHBondContact O-CB 3.41Å; C252-T256 PolarHBondContact O-N 3.02Å; C252-T256 PolarHBondContact O-OG1 3.19Å; L253-T256 PolarHBondContact O-N 2.85Å; T256-L259 PolarHBondContact O-N 3.13Å; T256-L260 WeakPolarHBondContact O-CB 3.32Å; T256-L260 PolarHBondContact O-N 3.2Å
257S80.9Confident79.6Confident46 Ų4683.7 Ų83.732%0.32247%0.466SS..Hα-helixtrans-69.3-35.2177.471.60000111.9L253 I254 L261 L262L253-S257 WeakPolarHBondContact O-CB 3.37Å; L253-S257 PolarHBondContact O-N 3.45Å; L253-S257 PolarHBondContact O-OG 3.47Å; I254-S257 WeakPolarHBondContact CA-OG 3.31Å; I254-S257 PolarHBondContact O-N 3.4Å; I254-S257 PolarHBondContact O-OG 2.9Å; S257-L261 CarbonylContact O-C 3.55Å; S257-L261 VanDerWaalsContact O-CA 3.28Å; S257-L261 WeakPolarHBondContact O-CA 3.39Å; S257-L261 VanDerWaalsContact O-CB 3.27Å; S257-L261 WeakPolarHBondContact O-CB 3.34Å; S257-L261 PolarHBondContact O-N 3.42Å; S257-L262 PolarHBondContact O-N 3.36Å; S257-L262 VanDerWaalsContact O-N 3.08Å
258A76.6Confident79Confident46 Ų4684.5 Ų84.538%0.3847%0.468SS..Hα-helixtrans-59.8-51.316900000110.6I254 G255 L262I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.26Å; G255-A258 PolarHBondContact O-N 3.02Å; A258-L262 HydrophobicContact CB-CD1 4.04Å; A258-L262 VanDerWaalsContact O-CB 3.29Å; A258-L262 WeakPolarHBondContact O-CB 3.34Å; A258-L262 WeakPolarHBondContact O-CD1 3.13Å; A258-L262 VanDerWaalsContact O-CG 3.32Å; A258-L262 WeakPolarHBondContact O-CG 3.32Å
259L74.7Confident78.5Confident158 Ų15879.6 Ų79.683%0.82745%0.448SS*.Hα-helixtrans-68.4-41.8-176.2-172.466.1000113.8G255 T256G255-L259 PolarHBondContact O-N 3.1Å; G255-L259 VanDerWaalsContact O-N 3.09Å; T256-L259 PolarHBondContact O-N 3.13Å
260L72Confident78.1Confident128 Ų12875.7 Ų75.767%0.6743%0.427SS*.Hα-helixtrans-104.3-35.1-168-173.168.9000113.7T256T256-L260 WeakPolarHBondContact O-CB 3.32Å; T256-L260 PolarHBondContact O-N 3.2Å
261L65.2Low77.9Confident73 Ų7379.8 Ų79.838%0.38244%0.437SS..Hα-helixtrans-102-11.4-170.2-83.572.8000113.9S257 P263 M264 P265S257-L261 CarbonylContact O-C 3.55Å; S257-L261 VanDerWaalsContact O-CA 3.28Å; S257-L261 WeakPolarHBondContact O-CA 3.39Å; S257-L261 VanDerWaalsContact O-CB 3.27Å; S257-L261 WeakPolarHBondContact O-CB 3.34Å; S257-L261 PolarHBondContact O-N 3.42Å; L261-P263 VanDerWaalsContact C-N 3.32Å; L261-M264 PolarHBondContact O-N 2.82Å; L261-P265 HydrophobicContact CB-CG 3.75Å; L261-P265 HydrophobicContact CD2-CG 3.83Å; L261-P265 HydrophobicContact CG-CG 3.66Å; L261-P265 WeakPolarHBondContact O-CD 3.26Å
262L62.9Low77.8Confident32 Ų3274 Ų7417%0.16841%0.41CS..THydrogen-bonded Turntrans-54.2-36.2177.2-94170.5000114.8Y127 S257 A258 L266Y127-L262 HydrophobicContact CD2-CD1 4.14Å; Y127-L262 HydrophobicContact CD2-CD2 3.64Å; Y127-L262 HydrophobicContact CD2-CG 4.45Å; Y127-L262 HydrophobicContact CE2-CD1 3.7Å; Y127-L262 HydrophobicContact CE2-CD2 4.06Å; Y127-L262 HydrophobicContact CE2-CG 4.46Å; Y127-L262 HydrophobicContact CG-CD2 4.2Å; S257-L262 PolarHBondContact O-N 3.36Å; S257-L262 VanDerWaalsContact O-N 3.08Å; A258-L262 HydrophobicContact CB-CD1 4.04Å; A258-L262 VanDerWaalsContact O-CB 3.29Å; A258-L262 WeakPolarHBondContact O-CB 3.34Å; A258-L262 WeakPolarHBondContact O-CD1 3.13Å; A258-L262 VanDerWaalsContact O-CG 3.32Å; A258-L262 WeakPolarHBondContact O-CG 3.32Å; L262-L266 HydrophobicContact CD2-CD2 4.11Å
263P62.9Low77.8Confident74 Ų7471.6 Ų71.648%0.48139%0.394SS..THydrogen-bonded Turntrans-81.2-27.3-176.227.2-32.1000115.2L261L261-P263 VanDerWaalsContact C-N 3.32Å
264M65.8Low77.8Confident158 Ų15868.4 Ų68.478%0.77838%0.377SS*.THydrogen-bonded Turntrans-118.4-61-162.7-70.3-71.6-73.700115.2L261L261-M264 PolarHBondContact O-N 2.82Å
265P67.3Low78Confident63 Ų6364 Ų6441%0.40935%0.354SS..THydrogen-bonded Turntrans-81.6-34.4-178.528-36.1000114.4L261 Q267 L268L261-P265 HydrophobicContact CB-CG 3.75Å; L261-P265 HydrophobicContact CD2-CG 3.83Å; L261-P265 HydrophobicContact CG-CG 3.66Å; L261-P265 WeakPolarHBondContact O-CD 3.26Å; P265-Q267 VanDerWaalsContact C-N 3.34Å; P265-Q267 PolarHBondContact O-N 3.16Å; P265-L268 VanDerWaalsContact O-CB 3.23Å; P265-L268 WeakPolarHBondContact O-CB 3.29Å; P265-L268 PolarHBondContact O-N 3.16Å; P265-L268 VanDerWaalsContact O-N 3.1Å
266L70.3Confident78.4Confident71 Ų7161.9 Ų61.937%0.37233%0.333SS..G310 helixtrans-72.1-30.1-169.5-156.772.4000112.9L262 L268 I269L262-L266 HydrophobicContact CD2-CD2 4.11Å; L266-L268 PolarHBondContact O-N 3.5Å; L266-I269 HydrophobicContact CD1-CD1 3.85Å; L266-I269 PolarHBondContact O-N 3.38Å
267Q71.5Confident78.7Confident75 Ų7559.8 Ų59.835%0.3532%0.318SS..G310 helixtrans-67.5-16174.1-62.6-176.28.100112.8R124 P265 I269R124-Q267 VanDerWaalsContact CB-O 3.26Å; R124-Q267 WeakPolarHBondContact CB-O 3.4Å; R124-Q267 WeakPolarHBondContact CD-O 3.11Å; R124-Q267 VanDerWaalsContact CG-O 3.29Å; R124-Q267 WeakPolarHBondContact CG-O 3.05Å; P265-Q267 VanDerWaalsContact C-N 3.34Å; P265-Q267 PolarHBondContact O-N 3.16Å; Q267-I269 VanDerWaalsContact C-N 3.28Å
268L76.7Confident79.2Confident72 Ų7261.3 Ų61.338%0.37732%0.319SS..G310 helixtrans-73.2-24.9177.9-162.365000112.1T110 S114 P265 L266 P270T110-L268 HydrophobicContact CG2-CG 4.35Å; S114-L268 VanDerWaalsContact OG-CD1 3.3Å; S114-L268 WeakPolarHBondContact OG-CD1 3.42Å; P265-L268 VanDerWaalsContact O-CB 3.23Å; P265-L268 WeakPolarHBondContact O-CB 3.29Å; P265-L268 PolarHBondContact O-N 3.16Å; P265-L268 VanDerWaalsContact O-N 3.1Å; L266-L268 PolarHBondContact O-N 3.5Å; L268-P270 WeakPolarHBondContact O-CD 3.26Å
269I83Confident80Confident36 Ų3660 Ų6019%0.18531%0.306CS..SBendtrans-72116.8-175.5-56.9176.8000109.1T110 L266 Q267 V273 L274T110-I269 HydrophobicContact CG2-CG1 4.23Å; L266-I269 HydrophobicContact CD1-CD1 3.85Å; L266-I269 PolarHBondContact O-N 3.38Å; Q267-I269 VanDerWaalsContact C-N 3.28Å; I269-V273 HydrophobicContact CG2-CB 4.48Å; I269-V273 HydrophobicContact CG2-CG1 4.35Å; I269-L274 HydrophobicContact CG2-CD2 4.15Å; I269-L274 HydrophobicContact CG2-CG 4.12Å
270P85.3Confident80.8Confident2 Ų253.2 Ų53.21%0.01327%0.269CS..BIsolated β-bridgetrans-60.5140.8173.6-26.137.8000111.2L69 I122 L268 S272 V273L69-P270 HydrophobicContact CD1-CB 4.26Å; L69-P270 HydrophobicContact CD1-CG 4.25Å; I122-P270 HydrophobicContact CG2-CB 3.66Å; I122-P270 HydrophobicContact CG2-CG 4.12Å; L268-P270 WeakPolarHBondContact O-CD 3.26Å; P270-S272 WeakPolarHBondContact CB-OG 3.35Å; P270-S272 PolarHBondContact O-N 3.07Å; P270-V273 HydrophobicContact CB-CB 4.41Å; P270-V273 HydrophobicContact CB-CG2 4.02Å; P270-V273 HydrophobicContact CG-CG2 4.02Å; P270-V273 WeakPolarHBondContact O-CB 3.28Å; P270-V273 PolarHBondContact O-N 3.39Å; P270-V273 VanDerWaalsContact O-N 3.1Å
271R86.6Confident81.7Confident128 Ų12848.3 Ų48.348%0.48324%0.243SC..Hα-helixtrans-57.7-34.3171.3-172.6178.5-179.5176.13.2112.5E123 V273 L274 D275E123-R271 PolarHBondContact O-N 2.92Å; R271-V273 VanDerWaalsContact C-N 3.27Å; R271-V273 PolarHBondContact O-N 3.28Å; R271-L274 WeakPolarHBondContact O-CB 3.35Å; R271-L274 PolarHBondContact O-N 2.89Å; R271-L274 VanDerWaalsContact O-N 3.1Å; R271-D275 PolarHBondContact O-N 2.89Å; R271-D275 VanDerWaalsContact O-N 3.13Å
272S90.6Very high82.9Confident2 Ų244.9 Ų44.91%0.01423%0.226CC..Hα-helixtrans-58.8-34.3176.353.20000114L69 M70 P270 G276L69-S272 WeakPolarHBondContact CB-OG 3.32Å; L69-S272 WeakPolarHBondContact CD1-OG 3.33Å; M70-S272 WeakPolarHBondContact CA-O 3.44Å; P270-S272 WeakPolarHBondContact CB-OG 3.35Å; P270-S272 PolarHBondContact O-N 3.07Å; S272-G276 PolarHBondContact O-N 2.47Å; S272-G276 VanDerWaalsContact O-N 3.14Å
273V92.4Very high84.2Confident0 Ų045.2 Ų45.20%023%0.233CC..Hα-helixtrans-70.4-35.8177.6167.20000110.6L69 T73 V106 M109 I269 P270 R271 G276 L277L69-V273 HydrophobicContact CB-CG2 4.27Å; T73-V273 HydrophobicContact CG2-CB 4.07Å; T73-V273 HydrophobicContact CG2-CG1 3.72Å; T73-V273 HydrophobicContact CG2-CG2 4Å; V106-V273 HydrophobicContact CB-CG1 4.14Å; V106-V273 HydrophobicContact CG1-CG1 3.78Å; V106-V273 HydrophobicContact CG2-CG1 4.16Å; M109-V273 HydrophobicContact CB-CG2 3.97Å; I269-V273 HydrophobicContact CG2-CB 4.48Å; I269-V273 HydrophobicContact CG2-CG1 4.35Å; P270-V273 HydrophobicContact CB-CB 4.41Å; P270-V273 HydrophobicContact CB-CG2 4.02Å; P270-V273 HydrophobicContact CG-CG2 4.02Å; P270-V273 WeakPolarHBondContact O-CB 3.28Å; P270-V273 PolarHBondContact O-N 3.39Å; P270-V273 VanDerWaalsContact O-N 3.1Å; R271-V273 VanDerWaalsContact C-N 3.27Å; R271-V273 PolarHBondContact O-N 3.28Å; V273-G276 PolarHBondContact O-N 3.48Å; V273-L277 PolarHBondContact O-N 2.88Å
274L90.3Very high85.2Confident50 Ų5042.9 Ų42.926%0.26222%0.218SC..Hα-helixtrans-68.3-39.5176.5-63.8173.1000111.9I269 R271 G276 L277 F278I269-L274 HydrophobicContact CG2-CD2 4.15Å; I269-L274 HydrophobicContact CG2-CG 4.12Å; R271-L274 WeakPolarHBondContact O-CB 3.35Å; R271-L274 PolarHBondContact O-N 2.89Å; R271-L274 VanDerWaalsContact O-N 3.1Å; L274-G276 VanDerWaalsContact C-N 3.34Å; L274-L277 HydrophobicContact CD2-CD2 4.2Å; L274-L277 VanDerWaalsContact O-CB 3.27Å; L274-L277 WeakPolarHBondContact O-CB 3.47Å; L274-L277 PolarHBondContact O-N 3.31Å; L274-F278 WeakPolarHBondContact O-CD2 3.48Å; L274-F278 PolarHBondContact O-N 3.18Å
275D92.4Very high86.1Confident9 Ų936.5 Ų36.55%0.04819%0.188CC..Hα-helixtrans-65.6-38.6174.9-71.7-3.3000111.9S18 A21 Y66 M70 R271 L277 F278 L279S18-D275 PolarHBondContact OG-O 2.83Å; A21-D275 WeakPolarHBondContact CB-OD2 3.31Å; Y66-D275 PolarHBondContact OH-OD2 3.36Å; M70-D275 HydrophobicContact CG-CB 4.17Å; M70-D275 HydrophobicContact SD-CB 4.42Å; R271-D275 PolarHBondContact O-N 2.89Å; R271-D275 VanDerWaalsContact O-N 3.13Å; D275-L277 VanDerWaalsContact C-N 3.3Å; D275-L277 PolarHBondContact O-N 2.82Å; D275-F278 WeakPolarHBondContact O-CB 3.41Å; D275-F278 PolarHBondContact O-N 3.47Å; D275-F278 VanDerWaalsContact O-N 3.15Å; D275-L279 PolarHBondContact O-N 3.38Å
276G93.7Very high87Confident0 Ų035.4 Ų35.40%018%0.179CC..Hα-helixtrans-67.5-31.2173.700000113.4M70 T73 S272 V273 L274 L279 Y280M70-G276 WeakPolarHBondContact O-CA 3.15Å; T73-G276 VanDerWaalsContact OG1-CA 3.28Å; T73-G276 WeakPolarHBondContact OG1-CA 3.4Å; S272-G276 PolarHBondContact O-N 2.47Å; S272-G276 VanDerWaalsContact O-N 3.14Å; V273-G276 PolarHBondContact O-N 3.48Å; L274-G276 VanDerWaalsContact C-N 3.34Å; G276-L279 PolarHBondContact O-N 2.82Å; G276-Y280 PolarHBondContact O-N 3.31Å
277L91.8Very high87.5Confident32 Ų3236.2 Ų36.217%0.16818%0.184CC..Hα-helixtrans-62-44.1166.8154.868.3000111.5L102 V106 V273 L274 D275 L279 Y280 M281L102-L277 HydrophobicContact CD1-CD1 3.21Å; L102-L277 HydrophobicContact CD1-CG 4.44Å; L102-L277 HydrophobicContact CD2-CD1 3.47Å; L102-L277 VanDerWaalsContact CD2-CD1 3.47Å; L102-L277 HydrophobicContact CG-CD1 3.64Å; V106-L277 HydrophobicContact CG2-CB 4.41Å; V273-L277 PolarHBondContact O-N 2.88Å; L274-L277 HydrophobicContact CD2-CD2 4.2Å; L274-L277 VanDerWaalsContact O-CB 3.27Å; L274-L277 WeakPolarHBondContact O-CB 3.47Å; L274-L277 PolarHBondContact O-N 3.31Å; D275-L277 VanDerWaalsContact C-N 3.3Å; D275-L277 PolarHBondContact O-N 2.82Å; L277-L279 PolarHBondContact O-N 3.46Å; L277-Y280 PolarHBondContact O-N 3.44Å; L277-M281 HydrophobicContact CD1-CE 4.18Å; L277-M281 HydrophobicContact CD1-CG 4.06Å; L277-M281 HydrophobicContact CD1-SD 4.15Å; L277-M281 HydrophobicContact CG-CE 4.21Å; L277-M281 WeakPolarHBondContact O-CG 3.34Å; L277-M281 PolarHBondContact O-N 2.92Å
278F91.8Very high87.6Confident78 Ų7835.5 Ų35.534%0.34220%0.196SC..Hα-helixtrans-61.7-41.6175-66.1-40.6000112.2F14 S18 L274 D275 Y280 M281 A282F14-F278 HydrophobicContact CB-CB 4.48Å; S18-F278 WeakPolarHBondContact OG-CB 3.08Å; L274-F278 WeakPolarHBondContact O-CD2 3.48Å; L274-F278 PolarHBondContact O-N 3.18Å; D275-F278 WeakPolarHBondContact O-CB 3.41Å; D275-F278 PolarHBondContact O-N 3.47Å; D275-F278 VanDerWaalsContact O-N 3.15Å; F278-Y280 PolarHBondContact O-N 2.95Å; F278-M281 HydrophobicContact CD1-CE 3.41Å; F278-M281 VanDerWaalsContact CD1-CE 3.41Å; F278-M281 HydrophobicContact CE1-CE 3.91Å; F278-M281 PolarHBondContact O-N 3.45Å; F278-A282 PolarHBondContact O-N 2.84Å
279L93.4Very high88Confident19 Ų1932.5 Ų32.510%0.09918%0.181CC..Hα-helixtrans-61.2-42.1173.2-70.9176.4000112.5V15 M70 L74 D275 G276 L277 A282 A283V15-L279 HydrophobicContact CB-CD2 4.23Å; V15-L279 HydrophobicContact CG1-CD2 4.2Å; V15-L279 HydrophobicContact CG2-CD2 3.97Å; M70-L279 HydrophobicContact CE-CD1 3.85Å; M70-L279 HydrophobicContact CG-CD1 3.87Å; M70-L279 HydrophobicContact SD-CD1 3.85Å; L74-L279 HydrophobicContact CD1-CB 4.16Å; L74-L279 HydrophobicContact CD2-CB 4.36Å; D275-L279 PolarHBondContact O-N 3.38Å; G276-L279 PolarHBondContact O-N 2.82Å; L277-L279 PolarHBondContact O-N 3.46Å; L279-A282 WeakPolarHBondContact O-CB 3.46Å; L279-A282 PolarHBondContact O-N 2.84Å; L279-A283 PolarHBondContact O-N 3.35Å
280Y91.7Very high88Confident15 Ų1533.3 Ų33.36%0.05918%0.184CC..Hα-helixtrans-63.8-43.7176.4176.2-92.6000111.7G77 L102 G276 L277 F278 A282 A283 T284G77-Y280 VanDerWaalsContact C-CE2 3.41Å; L102-Y280 HydrophobicContact CB-CE1 4.19Å; L102-Y280 HydrophobicContact CD1-CD1 3.45Å; L102-Y280 VanDerWaalsContact CD1-CD1 3.45Å; L102-Y280 HydrophobicContact CD1-CE1 3.9Å; L102-Y280 HydrophobicContact CD1-CG 4.11Å; L102-Y280 HydrophobicContact CG-CD1 4.41Å; L102-Y280 HydrophobicContact CG-CE1 4.47Å; G276-Y280 PolarHBondContact O-N 3.31Å; L277-Y280 PolarHBondContact O-N 3.44Å; F278-Y280 PolarHBondContact O-N 2.95Å; Y280-A282 VanDerWaalsContact C-N 3.31Å; Y280-A282 PolarHBondContact O-N 3.49Å; Y280-A283 PolarHBondContact O-N 3.5Å; Y280-T284 HydrophobicContact CD1-CG2 4.1Å; Y280-T284 HydrophobicContact CD2-CG2 4.36Å; Y280-T284 HydrophobicContact CE1-CG2 3.61Å; Y280-T284 HydrophobicContact CE2-CG2 3.88Å; Y280-T284 HydrophobicContact CG-CG2 4.46Å; Y280-T284 VanDerWaalsContact CZ-CG2 3.49Å; Y280-T284 WeakPolarHBondContact O-CG2 3.45Å; Y280-T284 PolarHBondContact O-N 2.98Å; Y280-T284 PolarHBondContact O-OG1 3.35Å
281M89.5Confident88.1Confident25 Ų2533.2 Ų33.212%0.12318%0.183CC..Hα-helixtrans-62.6-38.7175.6-71.5-166.6-61.600112P212 L277 F278 T284 S285P212-M281 HydrophobicContact CG-CB 4.03Å; P212-M281 HydrophobicContact CG-SD 4.25Å; L277-M281 HydrophobicContact CD1-CE 4.18Å; L277-M281 HydrophobicContact CD1-CG 4.06Å; L277-M281 HydrophobicContact CD1-SD 4.15Å; L277-M281 HydrophobicContact CG-CE 4.21Å; L277-M281 WeakPolarHBondContact O-CG 3.34Å; L277-M281 PolarHBondContact O-N 2.92Å; F278-M281 HydrophobicContact CD1-CE 3.41Å; F278-M281 VanDerWaalsContact CD1-CE 3.41Å; F278-M281 HydrophobicContact CE1-CE 3.91Å; F278-M281 PolarHBondContact O-N 3.45Å; M281-T284 WeakPolarHBondContact CA-OG1 3.48Å; M281-T284 PolarHBondContact O-OG1 3.49Å; M281-T284 VanDerWaalsContact O-OG1 3.05Å; M281-S285 WeakPolarHBondContact O-CB 3.33Å; M281-S285 PolarHBondContact O-N 2.97Å; M281-S285 PolarHBondContact O-OG 3.36Å
282A91.2Very high88.2Confident1 Ų130.5 Ų30.51%0.00818%0.175CC..Hα-helixtrans-61-50.417300000111.6A11 F14 V15 F278 L279 Y280 T284 S285 L286A11-A282 HydrophobicContact CB-CB 4.37Å; A11-A282 WeakPolarHBondContact O-CB 3.46Å; F14-A282 HydrophobicContact CB-CB 4.04Å; V15-A282 HydrophobicContact CG2-CB 3.69Å; F278-A282 PolarHBondContact O-N 2.84Å; L279-A282 WeakPolarHBondContact O-CB 3.46Å; L279-A282 PolarHBondContact O-N 2.84Å; Y280-A282 VanDerWaalsContact C-N 3.31Å; Y280-A282 PolarHBondContact O-N 3.49Å; A282-T284 PolarHBondContact O-N 3.39Å; A282-S285 PolarHBondContact O-N 3.38Å; A282-S285 PolarHBondContact O-OG 2.94Å; A282-L286 PolarHBondContact O-N 3.38Å
283A89.7Confident88Confident39 Ų3934.1 Ų34.132%0.32219%0.192SC..Hα-helixtrans-61.4-43-179.800000112.6L279 Y280 S285 L286L279-A283 PolarHBondContact O-N 3.35Å; Y280-A283 PolarHBondContact O-N 3.5Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 3.15Å; A283-L286 PolarHBondContact O-N 3.18Å
284T85.1Confident87.8Confident26 Ų2634.2 Ų34.216%0.1619%0.192CC..Hα-helixtrans-68.1-30.417753.80000113Y280 M281 A282 L286 N287Y280-T284 HydrophobicContact CD1-CG2 4.1Å; Y280-T284 HydrophobicContact CD2-CG2 4.36Å; Y280-T284 HydrophobicContact CE1-CG2 3.61Å; Y280-T284 HydrophobicContact CE2-CG2 3.88Å; Y280-T284 HydrophobicContact CG-CG2 4.46Å; Y280-T284 VanDerWaalsContact CZ-CG2 3.49Å; Y280-T284 WeakPolarHBondContact O-CG2 3.45Å; Y280-T284 PolarHBondContact O-N 2.98Å; Y280-T284 PolarHBondContact O-OG1 3.35Å; M281-T284 WeakPolarHBondContact CA-OG1 3.48Å; M281-T284 PolarHBondContact O-OG1 3.49Å; M281-T284 VanDerWaalsContact O-OG1 3.05Å; A282-T284 PolarHBondContact O-N 3.39Å; T284-L286 VanDerWaalsContact C-N 3.3Å; T284-L286 PolarHBondContact O-N 3.29Å; T284-N287 PolarHBondContact O-N 2.86Å
285S84.3Confident87.8Confident23 Ų2333.6 Ų33.616%0.16119%0.188CC..Hα-helixtrans-71.2-22.1175.774.80000114.1A11 M281 A282 A283A11-S285 VanDerWaalsContact CB-OG 3.27Å; A11-S285 WeakPolarHBondContact CB-OG 3.39Å; M281-S285 WeakPolarHBondContact O-CB 3.33Å; M281-S285 PolarHBondContact O-N 2.97Å; M281-S285 PolarHBondContact O-OG 3.36Å; A282-S285 PolarHBondContact O-N 3.38Å; A282-S285 PolarHBondContact O-OG 2.94Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 3.15Å
286L86.5Confident87.6Confident40 Ų4038.7 Ų38.721%0.20921%0.214CC..Hα-helixtrans-75.7-31.5172.5-63.6175.3000111.5I8 A11 A282 A283 T284 G288 N289 F292I8-L286 HydrophobicContact CG1-CD2 4Å; A11-L286 HydrophobicContact CB-CD2 3.83Å; A11-L286 HydrophobicContact CB-CG 4.17Å; A282-L286 PolarHBondContact O-N 3.38Å; A283-L286 PolarHBondContact O-N 3.18Å; T284-L286 VanDerWaalsContact C-N 3.3Å; T284-L286 PolarHBondContact O-N 3.29Å; L286-G288 PolarHBondContact O-N 3.36Å; L286-N289 PolarHBondContact O-N 3.01Å; L286-F292 HydrophobicContact CB-CD1 4.17Å; L286-F292 HydrophobicContact CB-CD2 4.39Å; L286-F292 HydrophobicContact CB-CE1 4.35Å; L286-F292 HydrophobicContact CB-CG 4.19Å; L286-F292 HydrophobicContact CD1-CD2 4.46Å; L286-F292 HydrophobicContact CD1-CE2 4.13Å; L286-F292 HydrophobicContact CD1-CZ 4.42Å; L286-F292 HydrophobicContact CD2-CD2 4.05Å; L286-F292 HydrophobicContact CD2-CG 4.39Å
287N79.9Confident87.3Confident88 Ų8839.3 Ų39.347%0.47122%0.217SC..THydrogen-bonded Turntrans-72.4108.1179.4-71.4-30.4000110.8T284T284-N287 PolarHBondContact O-N 2.86Å
288G74.7Confident87Confident60 Ų6040.9 Ų40.962%0.61923%0.225SC*.THydrogen-bonded Turntrans101.74.5-176.400000114L286L286-G288 PolarHBondContact O-N 3.36Å
289N83.2Confident86.8Confident9 Ų944.6 Ų44.65%0.04825%0.247CC..  trans-87113.4171.1-169.5-43.2000110.4E4 S7 I8 L286 M291 F292 E293E4-N289 WeakPolarHBondContact CB-OD1 3.5Å; E4-N289 PolarHBondContact O-ND2 3.18Å; S7-N289 WeakPolarHBondContact CB-ND2 3.31Å; S7-N289 PolarHBondContact OG-ND2 3.42Å; S7-N289 VanDerWaalsContact OG-ND2 3.16Å; I8-N289 WeakPolarHBondContact CG1-ND2 3.43Å; L286-N289 PolarHBondContact O-N 3.01Å; N289-M291 PolarHBondContact O-N 3.29Å; N289-M291 WeakPolarHBondContact OD1-CB 3.45Å; N289-M291 PolarHBondContact OD1-N 3.46Å; N289-F292 HydrophobicContact CB-CB 4.13Å; N289-F292 WeakPolarHBondContact O-CA 3.23Å; N289-F292 WeakPolarHBondContact O-CB 3.38Å; N289-F292 PolarHBondContact O-N 2.88Å; N289-E293 PolarHBondContact O-N 3.47Å; N289-E293 VanDerWaalsContact O-N 3.09Å
290E84.1Confident86.5Confident53 Ų5345.6 Ų45.625%0.24826%0.255CS..Hα-helixtrans-53.4-36.9179.2-66.4-75165.700113E4 E293 R294E4-E290 HydrophobicContact CG-CB 4.35Å; E290-E293 PolarHBondContact O-N 3.45Å; E290-R294 WeakPolarHBondContact O-CG 3.47Å; E290-R294 PolarHBondContact O-N 3.05Å
291M87.5Confident86.3Confident0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-67.1-38.1176.7176.8-179.6140.900111.6E4 I5 I8 N289 R294 I295 Q326 L330E4-M291 HydrophobicContact CB-CB 3.73Å; E4-M291 HydrophobicContact CG-CB 4.48Å; I5-M291 HydrophobicContact CB-SD 4.22Å; I5-M291 HydrophobicContact CG1-CE 4.5Å; I5-M291 HydrophobicContact CG1-SD 3.54Å; I5-M291 VanDerWaalsContact CG1-SD 3.54Å; I8-M291 HydrophobicContact CB-CE 4.35Å; I8-M291 HydrophobicContact CD1-CB 3.64Å; I8-M291 HydrophobicContact CD1-CE 3.58Å; I8-M291 HydrophobicContact CD1-CG 3.58Å; I8-M291 HydrophobicContact CD1-SD 3.73Å; I8-M291 HydrophobicContact CG2-CE 4.3Å; N289-M291 PolarHBondContact O-N 3.29Å; N289-M291 WeakPolarHBondContact OD1-CB 3.45Å; N289-M291 PolarHBondContact OD1-N 3.46Å; M291-R294 PolarHBondContact O-N 3.34Å; M291-I295 HydrophobicContact CE-CD1 3.76Å; M291-I295 HydrophobicContact CG-CD1 4.04Å; M291-I295 VanDerWaalsContact O-CG1 3.28Å; M291-I295 WeakPolarHBondContact O-CG1 3.33Å; M291-I295 PolarHBondContact O-N 3.35Å; M291-Q326 HydrophobicContact SD-CB 4.13Å; M291-L330 HydrophobicContact CE-CB 4.03Å; M291-L330 HydrophobicContact CE-CD2 3.61Å; M291-L330 HydrophobicContact CE-CG 4.25Å
292F88.4Confident86Confident72 Ų7257.2 Ų57.232%0.31631%0.309SS..Hα-helixtrans-66.6-40.6176.8-177.5-105.5000111I8 L286 N289 R294 I295 M296I8-F292 HydrophobicContact CD1-CB 4.05Å; L286-F292 HydrophobicContact CB-CD1 4.17Å; L286-F292 HydrophobicContact CB-CD2 4.39Å; L286-F292 HydrophobicContact CB-CE1 4.35Å; L286-F292 HydrophobicContact CB-CG 4.19Å; L286-F292 HydrophobicContact CD1-CD2 4.46Å; L286-F292 HydrophobicContact CD1-CE2 4.13Å; L286-F292 HydrophobicContact CD1-CZ 4.42Å; L286-F292 HydrophobicContact CD2-CD2 4.05Å; L286-F292 HydrophobicContact CD2-CG 4.39Å; N289-F292 HydrophobicContact CB-CB 4.13Å; N289-F292 WeakPolarHBondContact O-CA 3.23Å; N289-F292 WeakPolarHBondContact O-CB 3.38Å; N289-F292 PolarHBondContact O-N 2.88Å; F292-R294 VanDerWaalsContact C-N 3.34Å; F292-R294 PolarHBondContact O-N 3.02Å; F292-I295 PolarHBondContact O-N 2.94Å; F292-M296 PolarHBondContact O-N 3.47Å
293E85.9Confident85.5Confident77 Ų7761.5 Ų61.536%0.3635%0.345SS..Hα-helixtrans-59.7-44.6172.3-64.9-169.7-178.300111.3N289 E290 I295 M296 L297N289-E293 PolarHBondContact O-N 3.47Å; N289-E293 VanDerWaalsContact O-N 3.09Å; E290-E293 PolarHBondContact O-N 3.45Å; E293-I295 VanDerWaalsContact C-N 3.33Å; E293-I295 PolarHBondContact O-N 3.08Å; E293-M296 WeakPolarHBondContact O-CB 3.27Å; E293-M296 PolarHBondContact O-N 3.38Å; E293-L297 WeakPolarHBondContact O-CG 3.41Å; E293-L297 PolarHBondContact O-N 3.4Å
294R88Confident85.2Confident2 Ų262.7 Ų62.71%0.00836%0.355CS..Hα-helixtrans-64.4-33.8175.1-70.6-174.2-56.1-125.8-7.6113.6E4 E290 M291 F292 L297 L298 T323 Q326E4-R294 IonicContact OE2-CZ 3.26Å; E4-R294 IonicContact OE2-NH1 2.69Å; E4-R294 IonicContact OE2-NH2 3.72Å; E4-R294 PolarHBondContact OE2-NH2 3.23Å; E290-R294 WeakPolarHBondContact O-CG 3.47Å; E290-R294 PolarHBondContact O-N 3.05Å; M291-R294 PolarHBondContact O-N 3.34Å; F292-R294 VanDerWaalsContact C-N 3.34Å; F292-R294 PolarHBondContact O-N 3.02Å; R294-L297 PolarHBondContact O-N 3.04Å; R294-L298 PolarHBondContact O-N 2.97Å; R294-T323 HydrophobicContact CB-CG2 4.04Å; R294-Q326 VanDerWaalsContact NH2-CD 3.31Å
295I90.5Very high84.9Confident37 Ų3763 Ų6319%0.1935%0.353CS..Hα-helixtrans-66.7-43172.6-70.2164.8000109.9I8 M291 F292 E293 L297 L298 T323I8-I295 HydrophobicContact CD1-CD1 4.41Å; M291-I295 HydrophobicContact CE-CD1 3.76Å; M291-I295 HydrophobicContact CG-CD1 4.04Å; M291-I295 VanDerWaalsContact O-CG1 3.28Å; M291-I295 WeakPolarHBondContact O-CG1 3.33Å; M291-I295 PolarHBondContact O-N 3.35Å; F292-I295 PolarHBondContact O-N 2.94Å; E293-I295 VanDerWaalsContact C-N 3.33Å; E293-I295 PolarHBondContact O-N 3.08Å; I295-L297 VanDerWaalsContact C-N 3.27Å; I295-L297 PolarHBondContact O-N 3.11Å; I295-L298 WeakPolarHBondContact O-CB 3.35Å; I295-L298 PolarHBondContact O-N 2.92Å; I295-L298 VanDerWaalsContact O-N 3.1Å; I295-T323 HydrophobicContact CG1-CG2 3.87Å
296M88.6Confident84.5Confident117 Ų11763.5 Ų63.558%0.57636%0.355SS*.Hα-helixtrans-62.1-35.7175.4-170.9172.7178.500111.7F292 E293 L298 L299 T300F292-M296 PolarHBondContact O-N 3.47Å; E293-M296 WeakPolarHBondContact O-CB 3.27Å; E293-M296 PolarHBondContact O-N 3.38Å; M296-L298 VanDerWaalsContact C-N 3.29Å; M296-L298 PolarHBondContact O-N 2.98Å; M296-L299 PolarHBondContact O-N 3.2Å; M296-L299 VanDerWaalsContact O-N 3.08Å; M296-T300 PolarHBondContact O-N 3.39Å; M296-T300 PolarHBondContact O-OG1 2.91Å
297L86.7Confident83.7Confident12 Ų1263.7 Ų63.76%0.06336%0.359CS..Hα-helixtrans-63.2-29.4174-68.8173.9000113.3E293 R294 I295 L299 T300 Y305 P306 I311E293-L297 WeakPolarHBondContact O-CG 3.41Å; E293-L297 PolarHBondContact O-N 3.4Å; R294-L297 PolarHBondContact O-N 3.04Å; I295-L297 VanDerWaalsContact C-N 3.27Å; I295-L297 PolarHBondContact O-N 3.11Å; L297-L299 PolarHBondContact O-N 3.27Å; L297-T300 PolarHBondContact O-N 3.48Å; L297-Y305 HydrophobicContact CB-CE1 4.37Å; L297-Y305 HydrophobicContact CD2-CD1 4.17Å; L297-Y305 HydrophobicContact CD2-CD2 4.43Å; L297-Y305 HydrophobicContact CD2-CE1 4.19Å; L297-Y305 HydrophobicContact CD2-CE2 4.44Å; L297-Y305 HydrophobicContact CD2-CG 4.29Å; L297-Y305 PolarHBondContact O-OH 3.31Å; L297-P306 HydrophobicContact CD2-CG 4.39Å; L297-I311 HydrophobicContact CD1-CD1 3.87Å; L297-I311 HydrophobicContact CD2-CD1 4.39Å
298L86.9Confident83.3Confident65 Ų6560.3 Ų60.334%0.3434%0.342SS..Hα-helixtrans-63.1-30.7173.1-74.8163.7000112.2R294 I295 M296 H320 T323R294-L298 PolarHBondContact O-N 2.97Å; I295-L298 WeakPolarHBondContact O-CB 3.35Å; I295-L298 PolarHBondContact O-N 2.92Å; I295-L298 VanDerWaalsContact O-N 3.1Å; M296-L298 VanDerWaalsContact C-N 3.29Å; M296-L298 PolarHBondContact O-N 2.98Å; L298-H320 HydrophobicContact CD2-CB 3.91Å; L298-H320 WeakPolarHBondContact CD2-ND1 3.41Å; L298-T323 HydrophobicContact CD1-CG2 3.59Å; L298-T323 HydrophobicContact CG-CG2 4.34Å
299L87.6Confident82.9Confident156 Ų15662.1 Ų62.182%0.81733%0.334SS*.Hα-helixtrans-94.6-14.7179.7-61.5174.6000112.9M296 L297M296-L299 PolarHBondContact O-N 3.2Å; M296-L299 VanDerWaalsContact O-N 3.08Å; L297-L299 PolarHBondContact O-N 3.27Å
300T86.9Confident82.3Confident41 Ų4163 Ų6325%0.25234%0.337SS..SBendtrans-82.3139.3-177.5-57.60000110.3M296 L297 A304 Y305M296-T300 PolarHBondContact O-N 3.39Å; M296-T300 PolarHBondContact O-OG1 2.91Å; L297-T300 PolarHBondContact O-N 3.48Å; T300-A304 HydrophobicContact CG2-CB 3.84Å; T300-Y305 HydrophobicContact CG2-CD2 4.37Å; T300-Y305 HydrophobicContact CG2-CE2 4.47Å; T300-Y305 WeakPolarHBondContact O-CE2 3.44Å
301E86.8Confident81.8Confident150 Ų15061.7 Ų61.770%0.70133%0.331SS*.  trans-63.6141.2173.8-174.7178.1-177.200111.1A303 A304 Y305E301-A303 HydrophobicContact CG-CB 4.5Å; E301-A303 PolarHBondContact O-N 3.37Å; E301-A303 VanDerWaalsContact O-N 3.08Å; E301-A304 PolarHBondContact O-N 2.95Å; E301-Y305 VanDerWaalsContact O-CD2 3.3Å; E301-Y305 WeakPolarHBondContact O-CD2 3.36Å
302Q82.4Confident81Confident133 Ų13369.7 Ų69.762%0.62136%0.361SS*.G310 helixtrans-55.1-31.9-176.1-68.2-179.3-20.800113.9A304Q302-A304 VanDerWaalsContact C-N 3.29Å; Q302-A304 PolarHBondContact O-N 3.11Å
303A82.4Confident80.4Confident92 Ų9271.7 Ų71.776%0.7637%0.367SS*.G310 helixtrans-70.9-23.6178.300000113.5E301E301-A303 HydrophobicContact CG-CB 4.5Å; E301-A303 PolarHBondContact O-N 3.37Å; E301-A303 VanDerWaalsContact O-N 3.08Å
304A82.7Confident80.1Confident64 Ų6468.3 Ų68.353%0.52935%0.351SS..G310 helixtrans-95.511.5-17800000113.1T300 E301 Q302T300-A304 HydrophobicContact CG2-CB 3.84Å; E301-A304 PolarHBondContact O-N 2.95Å; Q302-A304 VanDerWaalsContact C-N 3.29Å; Q302-A304 PolarHBondContact O-N 3.11Å
305Y79.4Confident79.9Confident33 Ų3371.2 Ų71.213%0.12937%0.37CS..  trans-65.9127.5179.4-87.3-133000109.9L297 T300 E301 I311 H320L297-Y305 HydrophobicContact CB-CE1 4.37Å; L297-Y305 HydrophobicContact CD2-CD1 4.17Å; L297-Y305 HydrophobicContact CD2-CD2 4.43Å; L297-Y305 HydrophobicContact CD2-CE1 4.19Å; L297-Y305 HydrophobicContact CD2-CE2 4.44Å; L297-Y305 HydrophobicContact CD2-CG 4.29Å; L297-Y305 PolarHBondContact O-OH 3.31Å; T300-Y305 HydrophobicContact CG2-CD2 4.37Å; T300-Y305 HydrophobicContact CG2-CE2 4.47Å; T300-Y305 WeakPolarHBondContact O-CE2 3.44Å; E301-Y305 VanDerWaalsContact O-CD2 3.3Å; E301-Y305 WeakPolarHBondContact O-CD2 3.36Å; Y305-I311 HydrophobicContact CD1-CD1 4.09Å; Y305-I311 HydrophobicContact CD1-CG2 3.99Å; Y305-H320 PolarHBondContact OH-CE1 3.38Å; Y305-H320 PolarHBondContact OH-NE2 3.12Å
306P75.3Confident79.5Confident32 Ų3272.7 Ų72.721%0.20838%0.376CS..  trans-63.8142.3175.727.5-33000109.1L297 T308 I311L297-P306 HydrophobicContact CD2-CG 4.39Å; P306-T308 HydrophobicContact CB-CG2 4.09Å; P306-T308 HydrophobicContact CG-CG2 4.05Å; P306-T308 PolarHBondContact O-N 3.2Å; P306-I311 HydrophobicContact CG-CD1 4.16Å; P306-I311 WeakPolarHBondContact O-CD1 3.5Å
307P69.3Low79.3Confident44 Ų4477.8 Ų77.829%0.28639%0.389SS..  trans-72.358.7174.631.8-37.2000111.5Q230 H232Q230-P307 HydrophobicContact CB-CG 4.33Å; Q230-P307 PolarHBondContact OE1-O 3.26Å; H232-P307 VanDerWaalsContact CD2-CD 3.48Å; H232-P307 WeakPolarHBondContact CD2-CD 3.3Å; H232-P307 WeakPolarHBondContact NE2-CD 3.39Å
308T71.4Confident79.3Confident17 Ų1780.4 Ų80.410%0.10440%0.4CS..  trans-76.8156.7173.765.90000111P306 Y310 I311 R312P306-T308 HydrophobicContact CB-CG2 4.09Å; P306-T308 HydrophobicContact CG-CG2 4.05Å; P306-T308 PolarHBondContact O-N 3.2Å; T308-Y310 VanDerWaalsContact C-N 3.33Å; T308-Y310 HydrophobicContact CG2-CE1 4.07Å; T308-Y310 PolarHBondContact O-N 2.61Å; T308-Y310 WeakPolarHBondContact OG1-CE1 3.44Å; T308-I311 PolarHBondContact O-N 3.45Å; T308-I311 WeakPolarHBondContact OG1-CD1 3.48Å; T308-I311 WeakPolarHBondContact OG1-CG1 3.49Å; T308-R312 PolarHBondContact O-N 3.25Å
309H66.5Low79.2Confident99 Ų9977.5 Ų77.546%0.45839%0.385SS..THydrogen-bonded Turntrans-61.2-37.4-175.1175.1-86.8000113.5R313H309-R313 PolarHBondContact CE1-NE 2.98Å; H309-R313 PolarHBondContact CE1-NH1 3.41Å; H309-R313 PolarHBondContact CE1-NH2 2.85Å; H309-R313 VanDerWaalsContact CE1-NH2 3.33Å; H309-R313 PolarHBondContact NE2-NH2 3.45Å
310Y72Confident79.3Confident28 Ų2872.2 Ų72.211%0.1136%0.356CS..THydrogen-bonded Turntrans-76.7-36.4-178.861.1-91.2000112.8T308 R312 R313 V314 A374 L375T308-Y310 VanDerWaalsContact C-N 3.33Å; T308-Y310 HydrophobicContact CG2-CE1 4.07Å; T308-Y310 PolarHBondContact O-N 2.61Å; T308-Y310 WeakPolarHBondContact OG1-CE1 3.44Å; Y310-R312 PolarHBondContact O-N 3.24Å; Y310-R313 PolarHBondContact O-N 3.14Å; Y310-V314 PolarHBondContact O-N 3.4Å; Y310-V314 VanDerWaalsContact O-N 3.13Å; Y310-A374 WeakPolarHBondContact CB-O 3.37Å; Y310-L375 HydrophobicContact CD2-CD2 4.42Å
311I71.9Confident79.3Confident24 Ų2473.9 Ų73.912%0.12336%0.363CS..THydrogen-bonded Turntrans-61.4-32.6177.9-67.2172.8000111.1L297 Y305 P306 T308 R313 I319L297-I311 HydrophobicContact CD1-CD1 3.87Å; L297-I311 HydrophobicContact CD2-CD1 4.39Å; Y305-I311 HydrophobicContact CD1-CD1 4.09Å; Y305-I311 HydrophobicContact CD1-CG2 3.99Å; P306-I311 HydrophobicContact CG-CD1 4.16Å; P306-I311 WeakPolarHBondContact O-CD1 3.5Å; T308-I311 PolarHBondContact O-N 3.45Å; T308-I311 WeakPolarHBondContact OG1-CD1 3.48Å; T308-I311 WeakPolarHBondContact OG1-CG1 3.49Å; I311-R313 VanDerWaalsContact C-N 3.33Å; I311-R313 PolarHBondContact O-N 2.95Å; I311-I319 HydrophobicContact CG1-CD1 4.49Å
312R71.5Confident79.4Confident168 Ų16866.9 Ų66.963%0.63433%0.33SS*.THydrogen-bonded Turntrans-72.3-22.9177.4-69.1-177.1178.7-170.11.3114.2Q230 T308 Y310Q230-R312 VanDerWaalsContact OE1-CZ 3.26Å; T308-R312 PolarHBondContact O-N 3.25Å; Y310-R312 PolarHBondContact O-N 3.24Å
313R75.2Confident79.7Confident115 Ų11560.6 Ų60.643%0.43430%0.301SS..THydrogen-bonded Turntrans-101.6-27.2-171.5-70.1177.6172.6-162.71113.5H309 Y310 I311 Q379H309-R313 PolarHBondContact CE1-NE 2.98Å; H309-R313 PolarHBondContact CE1-NH1 3.41Å; H309-R313 PolarHBondContact CE1-NH2 2.85Å; H309-R313 VanDerWaalsContact CE1-NH2 3.33Å; H309-R313 PolarHBondContact NE2-NH2 3.45Å; Y310-R313 PolarHBondContact O-N 3.14Å; I311-R313 VanDerWaalsContact C-N 3.33Å; I311-R313 PolarHBondContact O-N 2.95Å; R313-Q379 VanDerWaalsContact NH1-CD 3.31Å
314V80.3Confident80.1Confident5 Ų560.1 Ų60.13%0.0329%0.288CS..SBendtrans-110131.3-174.2-1710000109.6Y310 Q316 K318 I319 Y371 A374 L375Y310-V314 PolarHBondContact O-N 3.4Å; Y310-V314 VanDerWaalsContact O-N 3.13Å; V314-Q316 PolarHBondContact O-N 3.24Å; V314-K318 HydrophobicContact CG1-CB 4.06Å; V314-I319 HydrophobicContact CB-CD1 4.12Å; V314-I319 HydrophobicContact CB-CG1 3.93Å; V314-I319 HydrophobicContact CG1-CD1 4.46Å; V314-I319 HydrophobicContact CG1-CG1 3.72Å; V314-Y371 HydrophobicContact CB-CD1 4.14Å; V314-Y371 HydrophobicContact CG1-CD1 3.9Å; V314-Y371 HydrophobicContact CG1-CG 4.1Å; V314-Y371 HydrophobicContact CG2-CD1 3.95Å; V314-A374 HydrophobicContact CG2-CB 4.04Å; V314-L375 HydrophobicContact CG2-CG 4.37Å
315P83.2Confident80.4Confident63 Ų6358.4 Ų58.441%0.40927%0.272SS..  trans-61.9133.917425.1-33.2000110.8R317 K318 I319P315-R317 PolarHBondContact O-N 2.94Å; P315-R317 VanDerWaalsContact O-N 3.08Å; P315-K318 HydrophobicContact CG-CB 4.18Å; P315-K318 HydrophobicContact CG-CG 3.81Å; P315-K318 WeakPolarHBondContact O-CB 3.35Å; P315-K318 PolarHBondContact O-N 3.01Å; P315-I319 PolarHBondContact O-N 3.16Å
316Q82.4Confident80.9Confident68 Ų6856.9 Ų56.932%0.31827%0.266SS..Hα-helixtrans-50.3-40.1-174-68.8175.1-2000113.7V314 K318 I319 H320V314-Q316 PolarHBondContact O-N 3.24Å; Q316-K318 VanDerWaalsContact C-N 3.26Å; Q316-K318 PolarHBondContact O-N 2.66Å; Q316-I319 WeakPolarHBondContact O-CB 3.43Å; Q316-I319 PolarHBondContact O-N 3.34Å; Q316-I319 VanDerWaalsContact O-N 3.11Å; Q316-H320 PolarHBondContact O-CD2 3.23Å; Q316-H320 PolarHBondContact O-N 3.45Å
317R85.2Confident81.7Confident224 Ų22458.8 Ų58.885%0.84527%0.274SS*.Hα-helixtrans-57.5-37.4178-69.6-174.7177.9-178.2-0.5113P315 L321P315-R317 PolarHBondContact O-N 2.94Å; P315-R317 VanDerWaalsContact O-N 3.08Å; R317-L321 WeakPolarHBondContact O-CB 3.38Å; R317-L321 PolarHBondContact O-N 2.88Å
318K85.7Confident82.8Confident68 Ų6861.8 Ų61.830%0.29629%0.287SS..Hα-helixtrans-74.1-35178.7-68-67.2-1671750111.4V314 P315 Q316 F322 L366 I367V314-K318 HydrophobicContact CG1-CB 4.06Å; P315-K318 HydrophobicContact CG-CB 4.18Å; P315-K318 HydrophobicContact CG-CG 3.81Å; P315-K318 WeakPolarHBondContact O-CB 3.35Å; P315-K318 PolarHBondContact O-N 3.01Å; Q316-K318 VanDerWaalsContact C-N 3.26Å; Q316-K318 PolarHBondContact O-N 2.66Å; K318-F322 WeakPolarHBondContact O-CB 3.12Å; K318-F322 PolarHBondContact O-N 3.26Å; K318-L366 PolarHBondContact NZ-O 2.8Å; K318-I367 HydrophobicContact CD-CG1 4.44Å
319I85.6Confident83.8Confident4 Ų461.6 Ų61.62%0.02129%0.285CS..Hα-helixtrans-61.5-50.4172.9-53.2-179000109.7I311 V314 P315 Q316 L321 F322 T323 L375I311-I319 HydrophobicContact CG1-CD1 4.49Å; V314-I319 HydrophobicContact CB-CD1 4.12Å; V314-I319 HydrophobicContact CB-CG1 3.93Å; V314-I319 HydrophobicContact CG1-CD1 4.46Å; V314-I319 HydrophobicContact CG1-CG1 3.72Å; P315-I319 PolarHBondContact O-N 3.16Å; Q316-I319 WeakPolarHBondContact O-CB 3.43Å; Q316-I319 PolarHBondContact O-N 3.34Å; Q316-I319 VanDerWaalsContact O-N 3.11Å; I319-L321 PolarHBondContact O-N 2.87Å; I319-F322 WeakPolarHBondContact O-CB 3.17Å; I319-F322 PolarHBondContact O-N 3.4Å; I319-T323 PolarHBondContact O-N 3.44Å; I319-T323 PolarHBondContact O-OG1 3.39Å; I319-L375 HydrophobicContact CG1-CD2 4.32Å; I319-L375 HydrophobicContact CG2-CD2 4.36Å
320H88.2Confident85Confident45 Ų4557.6 Ų57.621%0.20827%0.267CS..Hα-helixtrans-64.3-41.2179.5-65.3-50.3000113L298 Y305 Q316 F322 T323 V324L298-H320 HydrophobicContact CD2-CB 3.91Å; L298-H320 WeakPolarHBondContact CD2-ND1 3.41Å; Y305-H320 PolarHBondContact OH-CE1 3.38Å; Y305-H320 PolarHBondContact OH-NE2 3.12Å; Q316-H320 PolarHBondContact O-CD2 3.23Å; Q316-H320 PolarHBondContact O-N 3.45Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 3.37Å; H320-T323 PolarHBondContact O-N 3.16Å; H320-V324 WeakPolarHBondContact O-CB 3.38Å; H320-V324 VanDerWaalsContact O-CG2 3.28Å; H320-V324 WeakPolarHBondContact O-CG2 3.43Å; H320-V324 PolarHBondContact O-N 2.72Å
321L88.2Confident86Confident76 Ų7660.8 Ų60.840%0.39829%0.285SS..Hα-helixtrans-58.2-43174.7-177.767.8000111.4R317 I319 C325R317-L321 WeakPolarHBondContact O-CB 3.38Å; R317-L321 PolarHBondContact O-N 2.88Å; I319-L321 PolarHBondContact O-N 2.87Å; L321-C325 WeakPolarHBondContact O-CB 3.23Å; L321-C325 PolarHBondContact O-N 2.9Å; L321-C325 VanDerWaalsContact O-N 3.08Å
322F87.8Confident87Confident2 Ų262 Ų621%0.00929%0.294CS..Hα-helixtrans-62.7-49.4175.9-178.1-105.8000111.8K318 I319 H320 V324 C325 Q326 I363 I367 L372 L375K318-F322 WeakPolarHBondContact O-CB 3.12Å; K318-F322 PolarHBondContact O-N 3.26Å; I319-F322 WeakPolarHBondContact O-CB 3.17Å; I319-F322 PolarHBondContact O-N 3.4Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 3.37Å; F322-V324 VanDerWaalsContact C-N 3.34Å; F322-V324 PolarHBondContact O-N 3.16Å; F322-C325 WeakPolarHBondContact O-CB 3.07Å; F322-C325 PolarHBondContact O-N 2.99Å; F322-C325 VanDerWaalsContact O-N 3.17Å; F322-Q326 HydrophobicContact CD1-CG 4.41Å; F322-Q326 HydrophobicContact CE1-CG 4.07Å; F322-Q326 HydrophobicContact CZ-CG 4.16Å; F322-Q326 VanDerWaalsContact CZ-NE2 3.34Å; F322-Q326 PolarHBondContact O-N 2.01Å; F322-I363 HydrophobicContact CD2-CG2 4.42Å; F322-I363 HydrophobicContact CE2-CD1 4.19Å; F322-I363 HydrophobicContact CE2-CG2 4.33Å; F322-I367 HydrophobicContact CB-CD1 3.7Å; F322-I367 HydrophobicContact CD2-CD1 3.93Å; F322-I367 HydrophobicContact CG-CD1 4.27Å; F322-L372 HydrophobicContact CD2-CD1 4.23Å; F322-L372 HydrophobicContact CE2-CD1 3.71Å; F322-L372 HydrophobicContact CZ-CD1 4.38Å; F322-L375 HydrophobicContact CB-CD1 4.41Å; F322-L375 HydrophobicContact CD1-CD1 4.28Å; F322-L375 HydrophobicContact CG-CD1 4.24Å
323T89Confident87.9Confident1 Ų154 Ų541%0.00626%0.264CS..Hα-helixtrans-62.3-39.6179.7-49.70000112R294 I295 L298 I319 H320 C325 Q326 L327R294-T323 HydrophobicContact CB-CG2 4.04Å; I295-T323 HydrophobicContact CG1-CG2 3.87Å; L298-T323 HydrophobicContact CD1-CG2 3.59Å; L298-T323 HydrophobicContact CG-CG2 4.34Å; I319-T323 PolarHBondContact O-N 3.44Å; I319-T323 PolarHBondContact O-OG1 3.39Å; H320-T323 PolarHBondContact O-N 3.16Å; T323-C325 VanDerWaalsContact C-N 3.34Å; T323-C325 PolarHBondContact O-N 3.03Å; T323-Q326 PolarHBondContact O-N 3.13Å; T323-L327 WeakPolarHBondContact O-CB 3.38Å; T323-L327 PolarHBondContact O-N 3.13Å
324V90.9Very high88.6Confident82 Ų8249.5 Ų49.550%0.49725%0.25SC..Hα-helixtrans-64.5-39.9175.9170.30000111H320 F322 L327 L328H320-V324 WeakPolarHBondContact O-CB 3.38Å; H320-V324 VanDerWaalsContact O-CG2 3.28Å; H320-V324 WeakPolarHBondContact O-CG2 3.43Å; H320-V324 PolarHBondContact O-N 2.72Å; F322-V324 VanDerWaalsContact C-N 3.34Å; F322-V324 PolarHBondContact O-N 3.16Å; V324-L327 PolarHBondContact O-N 3.3Å; V324-L328 PolarHBondContact O-N 3.32Å
325C89.3Confident89.1Confident28 Ų2852.7 Ų52.719%0.18927%0.272CS..Hα-helixtrans-62.6-43.2174.4-172.30000111.8L321 F322 T323 L328 Q329L321-C325 WeakPolarHBondContact O-CB 3.23Å; L321-C325 PolarHBondContact O-N 2.9Å; L321-C325 VanDerWaalsContact O-N 3.08Å; F322-C325 WeakPolarHBondContact O-CB 3.07Å; F322-C325 PolarHBondContact O-N 2.99Å; F322-C325 VanDerWaalsContact O-N 3.17Å; T323-C325 VanDerWaalsContact C-N 3.34Å; T323-C325 PolarHBondContact O-N 3.03Å; C325-L328 WeakPolarHBondContact O-CB 3.02Å; C325-L328 PolarHBondContact O-N 3.26Å; C325-Q329 WeakPolarHBondContact O-CG 3.43Å; C325-Q329 PolarHBondContact O-N 2.91Å
326Q90.7Very high89.3Confident1 Ų153.3 Ų53.31%0.00527%0.269CS..Hα-helixtrans-64.4-39.6174.3-69.5-173.8-41.700112.6S1 I5 M291 R294 F322 T323 L328 Q329 L330S1-Q326 PolarHBondContact OG-NE2 3.45Å; I5-Q326 HydrophobicContact CD1-CB 4.34Å; I5-Q326 HydrophobicContact CD1-CG 4.25Å; I5-Q326 HydrophobicContact CG1-CB 4.4Å; M291-Q326 HydrophobicContact SD-CB 4.13Å; R294-Q326 VanDerWaalsContact NH2-CD 3.31Å; F322-Q326 HydrophobicContact CD1-CG 4.41Å; F322-Q326 HydrophobicContact CE1-CG 4.07Å; F322-Q326 HydrophobicContact CZ-CG 4.16Å; F322-Q326 VanDerWaalsContact CZ-NE2 3.34Å; F322-Q326 PolarHBondContact O-N 2.01Å; T323-Q326 PolarHBondContact O-N 3.13Å; Q326-L328 VanDerWaalsContact C-N 3.31Å; Q326-L328 PolarHBondContact O-N 3.19Å; Q326-Q329 WeakPolarHBondContact O-CB 3.45Å; Q326-Q329 PolarHBondContact O-N 3.03Å; Q326-L330 WeakPolarHBondContact O-CB 3.29Å; Q326-L330 PolarHBondContact O-N 3.17Å
327L92.4Very high89.5Confident73 Ų7350.8 Ų50.838%0.38226%0.261SS..Hα-helixtrans-64.8-37.5176.9-170.1148.6000111.2T323 V324 L330 L331T323-L327 WeakPolarHBondContact O-CB 3.38Å; T323-L327 PolarHBondContact O-N 3.13Å; V324-L327 PolarHBondContact O-N 3.3Å; L327-L330 PolarHBondContact O-N 3.42Å; L327-L331 WeakPolarHBondContact O-CB 3.17Å; L327-L331 PolarHBondContact O-N 2.87Å
328L92.1Very high89.5Confident107 Ų10743.6 Ų43.656%0.5624%0.239SC*.Hα-helixtrans-62.8-44.3172.5-17569.3000111.4V324 C325 Q326 L331 V332V324-L328 PolarHBondContact O-N 3.32Å; C325-L328 WeakPolarHBondContact O-CB 3.02Å; C325-L328 PolarHBondContact O-N 3.26Å; Q326-L328 VanDerWaalsContact C-N 3.31Å; Q326-L328 PolarHBondContact O-N 3.19Å; L328-L331 PolarHBondContact O-N 3.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.19Å; L328-V332 PolarHBondContact O-N 3.09Å
329Q91.3Very high89.5Confident13 Ų1341.3 Ų41.36%0.06123%0.232CC..Hα-helixtrans-62.3-43.1175.2-70.1172.4-3.400111.8I5 C325 Q326 L331 V332 L333 F355I5-Q329 HydrophobicContact CD1-CB 4.25Å; C325-Q329 WeakPolarHBondContact O-CG 3.43Å; C325-Q329 PolarHBondContact O-N 2.91Å; Q326-Q329 WeakPolarHBondContact O-CB 3.45Å; Q326-Q329 PolarHBondContact O-N 3.03Å; Q329-L331 VanDerWaalsContact C-N 3.35Å; Q329-L331 PolarHBondContact O-N 3.35Å; Q329-V332 PolarHBondContact O-N 3.28Å; Q329-L333 WeakPolarHBondContact O-CB 3.36Å; Q329-L333 PolarHBondContact O-N 3.3Å; Q329-F355 HydrophobicContact CB-CE1 4.39Å; Q329-F355 HydrophobicContact CB-CE2 4.48Å; Q329-F355 HydrophobicContact CB-CZ 4.27Å; Q329-F355 VanDerWaalsContact O-CZ 3.31Å; Q329-F355 WeakPolarHBondContact O-CZ 3.27Å
330L92.7Very high89.3Confident14 Ų1446.4 Ų46.47%0.07327%0.266CS..Hα-helixtrans-60.4-43.6174.3179.269.8000111.5I5 I8 F9 I12 M291 Q326 L327 V332 L333 C334I5-L330 HydrophobicContact CG2-CB 4.26Å; I5-L330 HydrophobicContact CG2-CD1 4.23Å; I8-L330 HydrophobicContact CB-CD1 4.39Å; I8-L330 HydrophobicContact CG2-CD1 4.02Å; I8-L330 HydrophobicContact CG2-CD2 3.59Å; I8-L330 HydrophobicContact CG2-CG 4.47Å; F9-L330 HydrophobicContact CB-CD1 3.85Å; I12-L330 HydrophobicContact CD1-CD1 4.28Å; I12-L330 HydrophobicContact CD1-CD2 3.85Å; I12-L330 HydrophobicContact CD1-CG 4.33Å; M291-L330 HydrophobicContact CE-CB 4.03Å; M291-L330 HydrophobicContact CE-CD2 3.61Å; M291-L330 HydrophobicContact CE-CG 4.25Å; Q326-L330 WeakPolarHBondContact O-CB 3.29Å; Q326-L330 PolarHBondContact O-N 3.17Å; L327-L330 PolarHBondContact O-N 3.42Å; L330-V332 VanDerWaalsContact C-N 3.34Å; L330-V332 PolarHBondContact O-N 2.88Å; L330-L333 WeakPolarHBondContact O-CB 3.38Å; L330-L333 PolarHBondContact O-N 3.43Å; L330-C334 WeakPolarHBondContact O-CB 3.28Å; L330-C334 PolarHBondContact O-N 3.16Å; L330-C334 PolarHBondContact O-SG 3.28Å
331L93.4Very high89.1Confident95 Ų9551.5 Ų51.550%0.49728%0.284SS..Hα-helixtrans-62.3-42.7178.8-177.5150.7000111.5L327 L328 Q329 L333 C334 S335L327-L331 WeakPolarHBondContact O-CB 3.17Å; L327-L331 PolarHBondContact O-N 2.87Å; L328-L331 PolarHBondContact O-N 3.47Å; Q329-L331 VanDerWaalsContact C-N 3.35Å; Q329-L331 PolarHBondContact O-N 3.35Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-C334 PolarHBondContact O-N 2.87Å; L331-S335 WeakPolarHBondContact O-CB 3.47Å; L331-S335 PolarHBondContact O-N 3.47Å; L331-S335 PolarHBondContact O-OG 3.41Å
332V91.6Very high88.6Confident50 Ų5052 Ų5230%0.30329%0.292SS..Hα-helixtrans-58.9-48.7173.41710000109.6L328 Q329 L330 C334 S335 F336 V351 F355L328-V332 WeakPolarHBondContact O-CG2 3.19Å; L328-V332 PolarHBondContact O-N 3.09Å; Q329-V332 PolarHBondContact O-N 3.28Å; L330-V332 VanDerWaalsContact C-N 3.34Å; L330-V332 PolarHBondContact O-N 2.88Å; V332-C334 PolarHBondContact O-N 3.4Å; V332-S335 PolarHBondContact O-N 3.01Å; V332-F336 HydrophobicContact CG1-CD2 3.95Å; V332-F336 HydrophobicContact CG1-CE2 3.84Å; V332-F336 WeakPolarHBondContact O-CD2 3.31Å; V332-F336 PolarHBondContact O-N 3.22Å; V332-V351 HydrophobicContact CG1-CG1 3.96Å; V332-F355 HydrophobicContact CG1-CE1 4.37Å; V332-F355 HydrophobicContact CG1-CZ 4.4Å
333L90.6Very high88.3Confident1 Ų161 Ų611%0.00533%0.328CS..Hα-helixtrans-60.3-45.8179.3-168.261.2000112.6I5 F9 Q329 L330 L331 S335 F336 G337 F348 V351 C352 F355I5-L333 HydrophobicContact CG2-CD2 4.32Å; F9-L333 HydrophobicContact CB-CD2 3.54Å; F9-L333 HydrophobicContact CB-CG 4.28Å; F9-L333 HydrophobicContact CD1-CD2 3.97Å; F9-L333 HydrophobicContact CD1-CG 4.31Å; F9-L333 HydrophobicContact CD2-CB 4.32Å; F9-L333 HydrophobicContact CD2-CD2 3.92Å; F9-L333 HydrophobicContact CD2-CG 3.68Å; F9-L333 HydrophobicContact CE2-CG 4.11Å; F9-L333 HydrophobicContact CG-CD2 3.51Å; F9-L333 HydrophobicContact CG-CG 3.8Å; Q329-L333 WeakPolarHBondContact O-CB 3.36Å; Q329-L333 PolarHBondContact O-N 3.3Å; L330-L333 WeakPolarHBondContact O-CB 3.38Å; L330-L333 PolarHBondContact O-N 3.43Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L333-S335 VanDerWaalsContact C-N 3.34Å; L333-S335 PolarHBondContact O-N 3.41Å; L333-F336 PolarHBondContact O-N 3.01Å; L333-G337 PolarHBondContact O-N 3.33Å; L333-F348 HydrophobicContact CD1-CD2 3.71Å; L333-F348 HydrophobicContact CD1-CE2 3.26Å; L333-F348 HydrophobicContact CD1-CZ 4.02Å; L333-F348 HydrophobicContact CD2-CE2 4.43Å; L333-F348 HydrophobicContact CG-CE2 3.84Å; L333-V351 HydrophobicContact CD1-CG1 4.45Å; L333-C352 WeakPolarHBondContact CD1-SG 2.95Å; L333-F355 HydrophobicContact CB-CE2 4Å; L333-F355 HydrophobicContact CB-CZ 4.06Å; L333-F355 HydrophobicContact CD1-CE2 4.07Å; L333-F355 HydrophobicContact CD1-CZ 4.42Å; L333-F355 HydrophobicContact CD2-CE2 4.19Å; L333-F355 HydrophobicContact CG-CE2 4.32Å
334C90.9Very high88Confident20 Ų2063.6 Ų63.614%0.13534%0.341CS..Hα-helixtrans-62.4-38.7176.6-71.40000112.4L330 L331 V332 F336 L338L330-C334 WeakPolarHBondContact O-CB 3.28Å; L330-C334 PolarHBondContact O-N 3.16Å; L330-C334 PolarHBondContact O-SG 3.28Å; L331-C334 PolarHBondContact O-N 2.87Å; V332-C334 PolarHBondContact O-N 3.4Å; C334-F336 VanDerWaalsContact C-N 3.33Å; C334-F336 PolarHBondContact O-N 2.75Å; C334-L338 HydrophobicContact CB-CD1 4.37Å; C334-L338 VanDerWaalsContact O-CB 3.31Å; C334-L338 WeakPolarHBondContact O-CB 3.24Å; C334-L338 PolarHBondContact O-N 3.22Å
335S89.3Confident87.4Confident71 Ų7165.3 Ų65.350%0.49734%0.343SS..Hα-helixtrans-63.9-38.4-179.6-58.80000112.3L331 V332 L333L331-S335 WeakPolarHBondContact O-CB 3.47Å; L331-S335 PolarHBondContact O-N 3.47Å; L331-S335 PolarHBondContact O-OG 3.41Å; V332-S335 PolarHBondContact O-N 3.01Å; L333-S335 VanDerWaalsContact C-N 3.34Å; L333-S335 PolarHBondContact O-N 3.41Å
336F88.6Confident86.9Confident77 Ų7768.4 Ų68.434%0.33836%0.356SS..Hα-helixtrans-83.4-38.4177.1-70.1-70.7000112.9V332 L333 C334 I344 V351V332-F336 HydrophobicContact CG1-CD2 3.95Å; V332-F336 HydrophobicContact CG1-CE2 3.84Å; V332-F336 WeakPolarHBondContact O-CD2 3.31Å; V332-F336 PolarHBondContact O-N 3.22Å; L333-F336 PolarHBondContact O-N 3.01Å; C334-F336 VanDerWaalsContact C-N 3.33Å; C334-F336 PolarHBondContact O-N 2.75Å; F336-I344 HydrophobicContact CB-CG2 4.47Å; F336-I344 HydrophobicContact CD1-CG2 3.69Å; F336-V351 HydrophobicContact CD2-CG1 4.21Å; F336-V351 HydrophobicContact CD2-CG2 3.87Å; F336-V351 HydrophobicContact CE2-CG2 4.22Å; F336-V351 HydrophobicContact CG-CG2 4.18Å
337G85.8Confident86.6Confident15 Ų1572.1 Ų72.116%0.15538%0.375CS..Hα-helixtrans-77.2-29.2-176.500000114.8L333L333-G337 PolarHBondContact O-N 3.33Å
338L84.6Confident86.2Confident73 Ų7369.7 Ų69.738%0.38236%0.361SS..THydrogen-bonded Turntrans-99.911.8178.3-56.8176.2000112.8I12 A13 A16 C334I12-L338 HydrophobicContact CG2-CD1 4.08Å; A13-L338 HydrophobicContact CB-CD2 4.2Å; A16-L338 HydrophobicContact CB-CD1 4.19Å; A16-L338 HydrophobicContact CB-CD2 4Å; C334-L338 HydrophobicContact CB-CD1 4.37Å; C334-L338 VanDerWaalsContact O-CB 3.31Å; C334-L338 WeakPolarHBondContact O-CB 3.24Å; C334-L338 PolarHBondContact O-N 3.22Å
339A86Confident85.6Confident19 Ų1965 Ų6516%0.15734%0.337CS..  trans-64.9137.3179.200000110.3Y341 I344A339-Y341 PolarHBondContact O-N 3.5Å; A339-Y341 VanDerWaalsContact O-N 3.15Å; A339-I344 HydrophobicContact CB-CB 3.87Å; A339-I344 HydrophobicContact CB-CD1 4.16Å; A339-I344 HydrophobicContact CB-CG2 3.67Å
340P81.3Confident85.2Confident111 Ų11168.7 Ų68.772%0.72136%0.361SS*.SBendtrans-70-10.9-179.528.9-35.4000113.3
341Y84.6Confident85Confident152 Ų15268.8 Ų68.860%0.59636%0.362SS*.SBendtrans-97119.6-175.8-56.7-71.6000110.6A339 Y343 I344A339-Y341 PolarHBondContact O-N 3.5Å; A339-Y341 VanDerWaalsContact O-N 3.15Å; Y341-Y343 PolarHBondContact O-N 3.19Å; Y341-Y343 VanDerWaalsContact O-N 3.11Å; Y341-I344 HydrophobicContact CD2-CD1 3.75Å; Y341-I344 HydrophobicContact CG-CD1 4.31Å; Y341-I344 PolarHBondContact O-N 3.47Å
342P78.4Confident84.5Confident88 Ų8864.6 Ų64.657%0.57134%0.34SS*.Hα-helixtrans-62.1-25.3-176.124.8-34.6000113.2I344 E345P342-I344 VanDerWaalsContact C-N 3.33Å; P342-I344 PolarHBondContact O-N 3.06Å; P342-E345 PolarHBondContact O-N 3.11Å
343Y81Confident84.1Confident191 Ų19168.1 Ų68.175%0.74935%0.352SS*.Hα-helixtrans-68-31.8176.7-54.3-71.7000113.2Y341 M346Y341-Y343 PolarHBondContact O-N 3.19Å; Y341-Y343 VanDerWaalsContact O-N 3.11Å; Y343-M346 PolarHBondContact O-N 2.68Å
344I82.7Confident83.9Confident55 Ų5570 Ų7028%0.28237%0.365SS..Hα-helixtrans-74.4-37179.6-62-177.5000109.8F336 A339 Y341 P342 M346 I347F336-I344 HydrophobicContact CB-CG2 4.47Å; F336-I344 HydrophobicContact CD1-CG2 3.69Å; A339-I344 HydrophobicContact CB-CB 3.87Å; A339-I344 HydrophobicContact CB-CD1 4.16Å; A339-I344 HydrophobicContact CB-CG2 3.67Å; Y341-I344 HydrophobicContact CD2-CD1 3.75Å; Y341-I344 HydrophobicContact CG-CD1 4.31Å; Y341-I344 PolarHBondContact O-N 3.47Å; P342-I344 VanDerWaalsContact C-N 3.33Å; P342-I344 PolarHBondContact O-N 3.06Å; I344-M346 PolarHBondContact O-N 3.36Å; I344-I347 WeakPolarHBondContact O-CB 3.34Å; I344-I347 PolarHBondContact O-N 2.98Å
345E78.9Confident83.6Confident118 Ų11869.8 Ų69.855%0.55136%0.362SS*.Hα-helixtrans-58.8-31.3176-164.5179.2169.700112P342 I347 F348P342-E345 PolarHBondContact O-N 3.11Å; E345-I347 PolarHBondContact O-N 3.15Å; E345-F348 WeakPolarHBondContact O-CB 3.13Å; E345-F348 PolarHBondContact O-N 3.48Å
346M78.1Confident83.2Confident92 Ų9270.7 Ų70.745%0.45336%0.357SS..THydrogen-bonded Turntrans-64.4-21.5175.7-165175.674.300113.9L153 Y343 I344 F348 P349L153-M346 HydrophobicContact CD2-CE 4.1Å; L153-M346 HydrophobicContact CD2-SD 3.39Å; L153-M346 WeakPolarHBondContact CD2-SD 3.33Å; Y343-M346 PolarHBondContact O-N 2.68Å; I344-M346 PolarHBondContact O-N 3.36Å; M346-F348 VanDerWaalsContact C-N 3.32Å; M346-P349 VanDerWaalsContact O-CD 3.25Å; M346-P349 WeakPolarHBondContact O-CD 3.41Å
347I84.2Confident82.9Confident80 Ų8069.8 Ų69.841%0.4136%0.359SS..THydrogen-bonded Turntrans-82.4-15.4178.1-60.4172.5000111.2I344 E345 V350 V351I344-I347 WeakPolarHBondContact O-CB 3.34Å; I344-I347 PolarHBondContact O-N 2.98Å; E345-I347 PolarHBondContact O-N 3.15Å; I347-V350 WeakPolarHBondContact O-CB 3.34Å; I347-V350 PolarHBondContact O-N 3.18Å; I347-V351 HydrophobicContact CG2-CG2 3.94Å; I347-V351 PolarHBondContact O-N 2.86Å; I347-V351 VanDerWaalsContact O-N 3.11Å
348F84.1Confident82.8Confident21 Ų2171.9 Ų71.99%0.09237%0.366CS..Hα-helixtrans-47.3-46.8-179.3176.6-96.1000114.7F6 F9 L160 L333 E345 M346 V350 V351 C352F6-F348 HydrophobicContact CD2-CZ 4.48Å; F6-F348 AromaticContact CE2-CE1 3.95Å; F6-F348 HydrophobicContact CE2-CE1 3.95Å; F6-F348 AromaticContact CE2-CZ 3.65Å; F6-F348 HydrophobicContact CE2-CZ 3.65Å; F6-F348 HydrophobicContact CZ-CE1 4.46Å; F6-F348 HydrophobicContact CZ-CZ 4.31Å; F9-F348 HydrophobicContact CD1-CE2 4Å; F9-F348 AromaticContact CD1-CZ 3.96Å; F9-F348 HydrophobicContact CD1-CZ 3.96Å; F9-F348 HydrophobicContact CE1-CD2 4.46Å; F9-F348 AromaticContact CE1-CE2 3.3Å; F9-F348 HydrophobicContact CE1-CE2 3.3Å; F9-F348 AromaticContact CE1-CZ 3.38Å; F9-F348 HydrophobicContact CE1-CZ 3.38Å; F9-F348 HydrophobicContact CE2-CE2 4.08Å; F9-F348 HydrophobicContact CZ-CD2 4.2Å; F9-F348 AromaticContact CZ-CE2 3.35Å; F9-F348 HydrophobicContact CZ-CE2 3.35Å; F9-F348 AromaticContact CZ-CZ 3.94Å; F9-F348 HydrophobicContact CZ-CZ 3.94Å; L160-F348 HydrophobicContact CD1-CD1 3.92Å; L160-F348 HydrophobicContact CD1-CE1 4.08Å; L333-F348 HydrophobicContact CD1-CD2 3.71Å; L333-F348 HydrophobicContact CD1-CE2 3.26Å; L333-F348 HydrophobicContact CD1-CZ 4.02Å; L333-F348 HydrophobicContact CD2-CE2 4.43Å; L333-F348 HydrophobicContact CG-CE2 3.84Å; E345-F348 WeakPolarHBondContact O-CB 3.13Å; E345-F348 PolarHBondContact O-N 3.48Å; M346-F348 VanDerWaalsContact C-N 3.32Å; F348-V350 VanDerWaalsContact C-N 3.29Å; F348-V350 PolarHBondContact O-N 3.33Å; F348-V351 PolarHBondContact O-N 3.14Å; F348-C352 PolarHBondContact O-N 3.39Å; F348-C352 PolarHBondContact O-SG 3.01Å
349P79.3Confident82.6Confident8 Ų870.9 Ų70.95%0.05236%0.357CS..Hα-helixtrans-64.3-35.3-179.4-16.730.3000112.6V159 L160 M346 C352 F353V159-P349 HydrophobicContact CG1-CB 4.27Å; L160-P349 HydrophobicContact CB-CB 4.1Å; L160-P349 HydrophobicContact CB-CG 3.63Å; L160-P349 HydrophobicContact CD1-CB 4.31Å; L160-P349 HydrophobicContact CD1-CG 3.84Å; L160-P349 HydrophobicContact CD2-CG 4.49Å; L160-P349 HydrophobicContact CG-CG 4.16Å; M346-P349 VanDerWaalsContact O-CD 3.25Å; M346-P349 WeakPolarHBondContact O-CD 3.41Å; P349-C352 PolarHBondContact O-N 3.33Å; P349-F353 WeakPolarHBondContact O-CB 3.4Å; P349-F353 PolarHBondContact O-N 2.89Å
350V83.7Confident82.2Confident92 Ų9277 Ų7756%0.55838%0.382SS*.Hα-helixtrans-69.2-40.8179.4-177.80000110.3I347 F348 F353 S354I347-V350 WeakPolarHBondContact O-CB 3.34Å; I347-V350 PolarHBondContact O-N 3.18Å; F348-V350 VanDerWaalsContact C-N 3.29Å; F348-V350 PolarHBondContact O-N 3.33Å; V350-F353 PolarHBondContact O-N 3.4Å; V350-S354 PolarHBondContact O-N 3.49Å
351V87.2Confident82.2Confident15 Ų1577.9 Ų77.99%0.09138%0.38CS..Hα-helixtrans-63.3-47.6175.2174.70000110.3V332 L333 F336 I347 F348 F353 S354 F355V332-V351 HydrophobicContact CG1-CG1 3.96Å; L333-V351 HydrophobicContact CD1-CG1 4.45Å; F336-V351 HydrophobicContact CD2-CG1 4.21Å; F336-V351 HydrophobicContact CD2-CG2 3.87Å; F336-V351 HydrophobicContact CE2-CG2 4.22Å; F336-V351 HydrophobicContact CG-CG2 4.18Å; I347-V351 HydrophobicContact CG2-CG2 3.94Å; I347-V351 PolarHBondContact O-N 2.86Å; I347-V351 VanDerWaalsContact O-N 3.11Å; F348-V351 PolarHBondContact O-N 3.14Å; V351-F353 VanDerWaalsContact C-N 3.31Å; V351-F353 PolarHBondContact O-N 3.3Å; V351-S354 WeakPolarHBondContact O-CB 3.41Å; V351-S354 PolarHBondContact O-N 3.21Å; V351-S354 VanDerWaalsContact O-N 3.11Å; V351-S354 PolarHBondContact O-OG 3.11Å; V351-F355 HydrophobicContact CG1-CE1 3.91Å; V351-F355 HydrophobicContact CG1-CZ 3.8Å; V351-F355 WeakPolarHBondContact O-CD1 3.26Å; V351-F355 PolarHBondContact O-N 3.49Å
352C84.4Confident82Confident7 Ų774.7 Ų74.75%0.04737%0.373CS..Hα-helixtrans-57.7-43.9174.6-72.90000112.3L163 L333 F348 P349 S354 F355L163-C352 HydrophobicContact CD1-CB 4.44Å; L163-C352 HydrophobicContact CD2-CB 3.23Å; L163-C352 HydrophobicContact CG-CB 4.44Å; L333-C352 WeakPolarHBondContact CD1-SG 2.95Å; F348-C352 PolarHBondContact O-N 3.39Å; F348-C352 PolarHBondContact O-SG 3.01Å; P349-C352 PolarHBondContact O-N 3.33Å; C352-S354 VanDerWaalsContact C-N 3.27Å; C352-S354 PolarHBondContact O-N 3.26Å; C352-F355 WeakPolarHBondContact O-CB 2.97Å; C352-F355 PolarHBondContact O-N 3.19Å; C352-F355 VanDerWaalsContact O-N 3.12Å
353F83.4Confident81.9Confident124 Ų12470.8 Ų70.854%0.54435%0.347SS..Hα-helixtrans-62.3-36.4177.8-169.2-96.5000111.8P349 V350 V351 F355 F356 P357P349-F353 WeakPolarHBondContact O-CB 3.4Å; P349-F353 PolarHBondContact O-N 2.89Å; V350-F353 PolarHBondContact O-N 3.4Å; V351-F353 VanDerWaalsContact C-N 3.31Å; V351-F353 PolarHBondContact O-N 3.3Å; F353-F355 PolarHBondContact O-N 2.92Å; F353-F356 HydrophobicContact CD2-CD2 4.44Å; F353-F356 PolarHBondContact O-N 3.01Å; F353-P357 WeakPolarHBondContact O-CD 3.49Å
354S84.8Confident81.6Confident42 Ų4264.1 Ų64.129%0.29433%0.328SS..Hα-helixtrans-62.6-21.4176.583.20000113.7V350 V351 C352 F356 P357 I358V350-S354 PolarHBondContact O-N 3.49Å; V351-S354 WeakPolarHBondContact O-CB 3.41Å; V351-S354 PolarHBondContact O-N 3.21Å; V351-S354 VanDerWaalsContact O-N 3.11Å; V351-S354 PolarHBondContact O-OG 3.11Å; C352-S354 VanDerWaalsContact C-N 3.27Å; C352-S354 PolarHBondContact O-N 3.26Å; S354-F356 VanDerWaalsContact C-N 3.3Å; S354-F356 PolarHBondContact O-N 3.07Å; S354-P357 WeakPolarHBondContact O-CD 3.25Å; S354-P357 VanDerWaalsContact O-CG 3.23Å; S354-P357 WeakPolarHBondContact O-CG 3.44Å; S354-I358 VanDerWaalsContact O-CD1 3.29Å; S354-I358 WeakPolarHBondContact O-CD1 3.39Å; S354-I358 WeakPolarHBondContact O-CG1 3.43Å; S354-I358 PolarHBondContact O-N 2.78Å
355F85.2Confident81.4Confident14 Ų1469.7 Ų69.76%0.06135%0.352CS..Hα-helixtrans-70.1-26.4177.4-62.7-14.9000113Q329 V332 L333 V351 C352 F353 I358 R359Q329-F355 HydrophobicContact CB-CE1 4.39Å; Q329-F355 HydrophobicContact CB-CE2 4.48Å; Q329-F355 HydrophobicContact CB-CZ 4.27Å; Q329-F355 VanDerWaalsContact O-CZ 3.31Å; Q329-F355 WeakPolarHBondContact O-CZ 3.27Å; V332-F355 HydrophobicContact CG1-CE1 4.37Å; V332-F355 HydrophobicContact CG1-CZ 4.4Å; L333-F355 HydrophobicContact CB-CE2 4Å; L333-F355 HydrophobicContact CB-CZ 4.06Å; L333-F355 HydrophobicContact CD1-CE2 4.07Å; L333-F355 HydrophobicContact CD1-CZ 4.42Å; L333-F355 HydrophobicContact CD2-CE2 4.19Å; L333-F355 HydrophobicContact CG-CE2 4.32Å; V351-F355 HydrophobicContact CG1-CE1 3.91Å; V351-F355 HydrophobicContact CG1-CZ 3.8Å; V351-F355 WeakPolarHBondContact O-CD1 3.26Å; V351-F355 PolarHBondContact O-N 3.49Å; C352-F355 WeakPolarHBondContact O-CB 2.97Å; C352-F355 PolarHBondContact O-N 3.19Å; C352-F355 VanDerWaalsContact O-N 3.12Å; F353-F355 PolarHBondContact O-N 2.92Å; F355-I358 HydrophobicContact CD1-CD1 4.32Å; F355-R359 VanDerWaalsContact O-CB 3.32Å; F355-R359 WeakPolarHBondContact O-CB 3.36Å; F355-R359 PolarHBondContact O-N 3.21Å
356F80.8Confident81.3Confident91 Ų9167.8 Ų67.840%0.39935%0.345SS..Hα-helixtrans-63.3-54.5175.1-69.7-81.1000113.2L163 F353 S354 I358 R359 H360L163-F356 HydrophobicContact CD1-CE2 3.85Å; L163-F356 HydrophobicContact CD1-CZ 4.38Å; F353-F356 HydrophobicContact CD2-CD2 4.44Å; F353-F356 PolarHBondContact O-N 3.01Å; S354-F356 VanDerWaalsContact C-N 3.3Å; S354-F356 PolarHBondContact O-N 3.07Å; F356-I358 VanDerWaalsContact C-N 3.35Å; F356-R359 PolarHBondContact O-N 3.06Å; F356-H360 PolarHBondContact O-N 3.05Å
357P82.6Confident81.3Confident57 Ų5763.6 Ų63.637%0.3733%0.325SS..Hα-helixtrans-66.8-3617725.5-33.6000111.8F353 S354 R359 H360 L361F353-P357 WeakPolarHBondContact O-CD 3.49Å; S354-P357 WeakPolarHBondContact O-CD 3.25Å; S354-P357 VanDerWaalsContact O-CG 3.23Å; S354-P357 WeakPolarHBondContact O-CG 3.44Å; P357-R359 VanDerWaalsContact C-N 3.28Å; P357-R359 PolarHBondContact O-N 3.27Å; P357-H360 PolarHBondContact O-N 3.29Å; P357-H360 VanDerWaalsContact O-N 3.16Å; P357-L361 HydrophobicContact CB-CD1 4.35Å; P357-L361 VanDerWaalsContact O-CB 3.28Å; P357-L361 WeakPolarHBondContact O-CB 3.23Å; P357-L361 WeakPolarHBondContact O-CG 3.46Å; P357-L361 PolarHBondContact O-N 3.28Å
358I82.7Confident80.9Confident60 Ų6064.7 Ų64.731%0.30833%0.331SS..Hα-helixtrans-58.7-43.9174.3-67166.4000110S354 F355 F356 H360 L362S354-I358 VanDerWaalsContact O-CD1 3.29Å; S354-I358 WeakPolarHBondContact O-CD1 3.39Å; S354-I358 WeakPolarHBondContact O-CG1 3.43Å; S354-I358 PolarHBondContact O-N 2.78Å; F355-I358 HydrophobicContact CD1-CD1 4.32Å; F356-I358 VanDerWaalsContact C-N 3.35Å; I358-H360 PolarHBondContact O-N 2.7Å; I358-L362 HydrophobicContact CG2-CB 4.15Å; I358-L362 WeakPolarHBondContact O-CA 3.28Å; I358-L362 WeakPolarHBondContact O-CB 3.47Å; I358-L362 PolarHBondContact O-N 3.23Å
359R80.3Confident80.6Confident51 Ų5168.7 Ų68.719%0.19235%0.353CS..Hα-helixtrans-63-41.4175.1175.7172.7-177-1641.3112.7F355 F356 P357 I363 P364 D376F355-R359 VanDerWaalsContact O-CB 3.32Å; F355-R359 WeakPolarHBondContact O-CB 3.36Å; F355-R359 PolarHBondContact O-N 3.21Å; F356-R359 PolarHBondContact O-N 3.06Å; P357-R359 VanDerWaalsContact C-N 3.28Å; P357-R359 PolarHBondContact O-N 3.27Å; R359-I363 HydrophobicContact CB-CD1 4.17Å; R359-I363 HydrophobicContact CG-CD1 4.06Å; R359-I363 WeakPolarHBondContact O-CB 3.29Å; R359-P364 VanDerWaalsContact O-CD 3.28Å; R359-P364 WeakPolarHBondContact O-CD 3.48Å; R359-D376 IonicContact CZ-OD2 3.14Å; R359-D376 IonicContact NH2-OD1 2.66Å; R359-D376 PolarHBondContact NH2-OD1 3.39Å; R359-D376 IonicContact NH2-OD2 3.4Å; R359-D376 PolarHBondContact NH2-OD2 2.87Å
360H78.6Confident80.5Confident149 Ų14976.6 Ų76.669%0.6939%0.386SS*.Hα-helixtrans-78.6-28-176.6-163.7-58.5000113.2F356 P357 I358 P364F356-H360 PolarHBondContact O-N 3.05Å; P357-H360 PolarHBondContact O-N 3.29Å; P357-H360 VanDerWaalsContact O-N 3.16Å; I358-H360 PolarHBondContact O-N 2.7Å; H360-P364 WeakPolarHBondContact O-CG 3.39Å
361L81.7Confident80.2Confident128 Ų12875.4 Ų75.467%0.6737%0.373SS*.Hα-helixtrans-101.2-46.6-174.6-61.6174000112.5P357P357-L361 HydrophobicContact CB-CD1 4.35Å; P357-L361 VanDerWaalsContact O-CB 3.28Å; P357-L361 WeakPolarHBondContact O-CB 3.23Å; P357-L361 WeakPolarHBondContact O-CG 3.46Å; P357-L361 PolarHBondContact O-N 3.28Å
362L79.1Confident79.7Confident86 Ų8675.4 Ų75.445%0.4537%0.372SS..THydrogen-bonded Turntrans-84.9-39.9-170.3-163.6124.9000112.2I358 H365 L366I358-L362 HydrophobicContact CG2-CB 4.15Å; I358-L362 WeakPolarHBondContact O-CA 3.28Å; I358-L362 WeakPolarHBondContact O-CB 3.47Å; I358-L362 PolarHBondContact O-N 3.23Å; L362-H365 PolarHBondContact O-N 3.32Å; L362-L366 HydrophobicContact CD2-CD1 3.62Å; L362-L366 HydrophobicContact CG-CD1 4.23Å; L362-L366 PolarHBondContact O-N 3.45Å
363I77.7Confident79.2Confident5 Ų578.6 Ų78.63%0.02639%0.388CS..Hα-helixtrans-70.3-44.2-174.7-57.8-175000112.7F322 R359 H365 L366 I367 L372F322-I363 HydrophobicContact CD2-CG2 4.42Å; F322-I363 HydrophobicContact CE2-CD1 4.19Å; F322-I363 HydrophobicContact CE2-CG2 4.33Å; R359-I363 HydrophobicContact CB-CD1 4.17Å; R359-I363 HydrophobicContact CG-CD1 4.06Å; R359-I363 WeakPolarHBondContact O-CB 3.29Å; I363-H365 PolarHBondContact O-N 3.41Å; I363-H365 VanDerWaalsContact O-N 3.15Å; I363-L366 PolarHBondContact O-N 3.49Å; I363-I367 PolarHBondContact O-N 2.98Å; I363-L372 HydrophobicContact CG2-CD1 3.64Å; I363-L372 HydrophobicContact CG2-CD2 4.27Å
364P74.5Confident78.7Confident52 Ų5273.1 Ų73.134%0.33837%0.366SS..Hα-helixtrans-63.1-20.2176.3-26.438000113.7R359 H360 L369R359-P364 VanDerWaalsContact O-CD 3.28Å; R359-P364 WeakPolarHBondContact O-CD 3.48Å; H360-P364 WeakPolarHBondContact O-CG 3.39Å; P364-L369 HydrophobicContact CB-CD2 4.07Å; P364-L369 HydrophobicContact CG-CD2 4.2Å
365H78.6Confident78.1Confident172 Ų17271.6 Ų71.680%0.79636%0.355SS*.Hα-helixtrans-78.3-27.1175.2-164.670.4000112.8L362 I363L362-H365 PolarHBondContact O-N 3.32Å; I363-H365 PolarHBondContact O-N 3.41Å; I363-H365 VanDerWaalsContact O-N 3.15Å
366L76.9Confident77.4Confident77 Ų7772.4 Ų72.440%0.40336%0.36SS..Hα-helixtrans-95.9-29.1-176.7-73.7159.2000113.3K318 L362 I363K318-L366 PolarHBondContact NZ-O 2.8Å; L362-L366 HydrophobicContact CD2-CD1 3.62Å; L362-L366 HydrophobicContact CG-CD1 4.23Å; L362-L366 PolarHBondContact O-N 3.45Å; I363-L366 PolarHBondContact O-N 3.49Å
367I76.8Confident76.5Confident5 Ų570.6 Ų70.63%0.02637%0.367CS..SBendtrans-138.1127.7-170.8-55.7175.2000109.3K318 F322 I363 L369K318-I367 HydrophobicContact CD-CG1 4.44Å; F322-I367 HydrophobicContact CB-CD1 3.7Å; F322-I367 HydrophobicContact CD2-CD1 3.93Å; F322-I367 HydrophobicContact CG-CD1 4.27Å; I363-I367 PolarHBondContact O-N 2.98Å; I367-L369 PolarHBondContact O-N 3.45Å
368D77.4Confident75Confident102 Ų10276 Ų7655%0.54538%0.38SS..  trans-57.4137176.9-56.1-50000110.9K370 Y371 L372D368-K370 PolarHBondContact O-N 3.36Å; D368-Y371 HydrophobicContact CB-CD2 3.76Å; D368-Y371 HydrophobicContact CB-CE2 4.09Å; D368-Y371 PolarHBondContact O-N 3.31Å; D368-Y371 WeakPolarHBondContact OD2-CE2 3.33Å; D368-L372 PolarHBondContact O-N 3.26Å
369L77.2Confident72.8Confident106 Ų10681.9 Ų81.956%0.55541%0.406SS*.Hα-helixtrans-51.9-35.1-177.5-68.3169.8000113P364 I367 Y371 L372 D373P364-L369 HydrophobicContact CB-CD2 4.07Å; P364-L369 HydrophobicContact CG-CD2 4.2Å; I367-L369 PolarHBondContact O-N 3.45Å; L369-Y371 VanDerWaalsContact C-N 3.29Å; L369-Y371 PolarHBondContact O-N 3.24Å; L369-L372 WeakPolarHBondContact O-CB 3.42Å; L369-L372 PolarHBondContact O-N 3.12Å; L369-L372 VanDerWaalsContact O-N 3.09Å; L369-D373 PolarHBondContact O-N 3.17Å
370K76Confident72.4Confident173 Ų17383.5 Ų83.575%0.75242%0.417SS*.Hα-helixtrans-58.8-37.6177.1-174.9178.6179-178.70113.2D368D368-K370 PolarHBondContact O-N 3.36Å
371Y78.2Confident72.1Confident68 Ų6880 Ų8027%0.26740%0.402SS..Hα-helixtrans-77.9-32.3177.3-61.9-58.1000111.4V314 D368 L369 A374 L375V314-Y371 HydrophobicContact CB-CD1 4.14Å; V314-Y371 HydrophobicContact CG1-CD1 3.9Å; V314-Y371 HydrophobicContact CG1-CG 4.1Å; V314-Y371 HydrophobicContact CG2-CD1 3.95Å; D368-Y371 HydrophobicContact CB-CD2 3.76Å; D368-Y371 HydrophobicContact CB-CE2 4.09Å; D368-Y371 PolarHBondContact O-N 3.31Å; D368-Y371 WeakPolarHBondContact OD2-CE2 3.33Å; L369-Y371 VanDerWaalsContact C-N 3.29Å; L369-Y371 PolarHBondContact O-N 3.24Å; Y371-A374 PolarHBondContact O-N 3.41Å; Y371-L375 WeakPolarHBondContact O-CG 3.4Å; Y371-L375 PolarHBondContact O-N 3.35Å
372L75.9Confident71.6Confident15 Ų1577.3 Ų77.38%0.07939%0.388CS..Hα-helixtrans-65-43.9176.6-164.172000111.4F322 I363 D368 L369 A374 L375 D376F322-L372 HydrophobicContact CD2-CD1 4.23Å; F322-L372 HydrophobicContact CE2-CD1 3.71Å; F322-L372 HydrophobicContact CZ-CD1 4.38Å; I363-L372 HydrophobicContact CG2-CD1 3.64Å; I363-L372 HydrophobicContact CG2-CD2 4.27Å; D368-L372 PolarHBondContact O-N 3.26Å; L369-L372 WeakPolarHBondContact O-CB 3.42Å; L369-L372 PolarHBondContact O-N 3.12Å; L369-L372 VanDerWaalsContact O-N 3.09Å; L372-A374 VanDerWaalsContact C-N 3.27Å; L372-A374 PolarHBondContact O-N 3.16Å; L372-L375 PolarHBondContact O-N 2.85Å; L372-L375 VanDerWaalsContact O-N 3.07Å; L372-D376 PolarHBondContact O-N 3.44Å
373D74.6Confident71.1Confident73 Ų7376.8 Ų76.839%0.3938%0.384SS..Hα-helixtrans-63-35.1177.2-69.7-29.4000112.4L369 G377 R378L369-D373 PolarHBondContact O-N 3.17Å; D373-G377 PolarHBondContact O-N 3.22Å; D373-R378 PolarHBondContact O-N 3.49Å
374A72.7Confident70.7Confident10 Ų1081.3 Ų81.38%0.08341%0.406CS..Hα-helixtrans-70.3-31.5174.500000112.6Y310 V314 Y371 L372Y310-A374 WeakPolarHBondContact CB-O 3.37Å; V314-A374 HydrophobicContact CG2-CB 4.04Å; Y371-A374 PolarHBondContact O-N 3.41Å; L372-A374 VanDerWaalsContact C-N 3.27Å; L372-A374 PolarHBondContact O-N 3.16Å
375L73.4Confident70.5Confident10 Ų1083.3 Ų83.35%0.05241%0.411CS..Hα-helixtrans-79.6-30.5178.5-76.1165.3000113.4Y310 V314 I319 F322 Y371 L372 G377Y310-L375 HydrophobicContact CD2-CD2 4.42Å; V314-L375 HydrophobicContact CG2-CG 4.37Å; I319-L375 HydrophobicContact CG1-CD2 4.32Å; I319-L375 HydrophobicContact CG2-CD2 4.36Å; F322-L375 HydrophobicContact CB-CD1 4.41Å; F322-L375 HydrophobicContact CD1-CD1 4.28Å; F322-L375 HydrophobicContact CG-CD1 4.24Å; Y371-L375 WeakPolarHBondContact O-CG 3.4Å; Y371-L375 PolarHBondContact O-N 3.35Å; L372-L375 PolarHBondContact O-N 2.85Å; L372-L375 VanDerWaalsContact O-N 3.07Å; L375-G377 VanDerWaalsContact C-N 3.3Å
376D69.3Low69.9Low31 Ų3176.9 Ų76.917%0.16638%0.383CS..THydrogen-bonded Turntrans-862177.3-82.1-35.6000112.7S1 R359 L372 R378S1-D376 PolarHBondContact N-OD1 3.11Å; R359-D376 IonicContact CZ-OD2 3.14Å; R359-D376 IonicContact NH2-OD1 2.66Å; R359-D376 PolarHBondContact NH2-OD1 3.39Å; R359-D376 IonicContact NH2-OD2 3.4Å; R359-D376 PolarHBondContact NH2-OD2 2.87Å; L372-D376 PolarHBondContact O-N 3.44Å; D376-R378 VanDerWaalsContact C-N 3.3Å; D376-R378 HydrophobicContact CB-CG 4.48Å; D376-R378 PolarHBondContact O-N 3.07Å
377G62.1Low69.3Low53 Ų5376.9 Ų76.955%0.54638%0.382SS..THydrogen-bonded Turntrans69.618.3173.100000115.5D373 L375 Q379D373-G377 PolarHBondContact O-N 3.22Å; L375-G377 VanDerWaalsContact C-N 3.3Å; G377-Q379 VanDerWaalsContact C-N 3.28Å; G377-Q379 PolarHBondContact O-N 3.1Å
378R52.3Low68.7Low170 Ų17082.9 Ų82.964%0.64241%0.411SS*.  trans-8451.4-175.2-68.7-175.1173.8177.4-3.4113.9D373 D376D373-R378 PolarHBondContact O-N 3.49Å; D376-R378 VanDerWaalsContact C-N 3.3Å; D376-R378 HydrophobicContact CB-CG 4.48Å; D376-R378 PolarHBondContact O-N 3.07Å
379Q35.4Very low67.9Low184 Ų18481.2 Ų81.286%0.8640%0.399SS*.  trans-132.20174.5-70.2-160.41.600114.5R313 G377R313-Q379 VanDerWaalsContact NH1-CD 3.31Å; G377-Q379 VanDerWaalsContact C-N 3.28Å; G377-Q379 PolarHBondContact O-N 3.1Å

Retrieved 379 of 379 residues in 292.4 ms (Link to these results)