A0A077ZMW7_TRITR Loading...

AP-1 complex subunit beta-1

AlphaFold DB , UniProt , Accession A0A077ZMW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M63.8Low73.3Confident170 Ų17081 Ų8184%0.83740%0.401SS*.  0-62.30-155.9154.481.400114.6R3 A4 L5M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.38Å; M1-A4 PolarHBondContact O-N 3.1Å; M1-L5 PolarHBondContact O-N 3.01Å; M1-L5 VanDerWaalsContact O-N 3.12Å
2I75.2Confident73.1Confident147 Ų14780.9 Ų80.975%0.75441%0.413SS*.Hα-helixtrans-58.2-41.5-176.8-60.1174.6000112.4A4 L5 A6I2-A4 PolarHBondContact O-N 3.29Å; I2-L5 PolarHBondContact O-N 2.79Å; I2-A6 PolarHBondContact O-N 2.97Å
3R75.4Confident73.1Confident132 Ų13279.9 Ų79.950%0.49841%0.408SS..Hα-helixtrans-57.3-48.3176.6-67.4-177-68.5170.63.9112.7M1 L5 A6 V7 D32 V37M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.38Å; R3-L5 VanDerWaalsContact C-N 3.34Å; R3-L5 PolarHBondContact O-N 3.07Å; R3-A6 PolarHBondContact O-N 3.04Å; R3-V7 WeakPolarHBondContact O-CG2 3.3Å; R3-V7 PolarHBondContact O-N 3.04Å; R3-D32 IonicContact CZ-OD1 3.25Å; R3-D32 VanDerWaalsContact CZ-OD1 3.25Å; R3-D32 IonicContact CZ-OD2 2.99Å; R3-D32 IonicContact NE-OD2 3.66Å; R3-D32 VanDerWaalsContact NH1-CG 3.25Å; R3-D32 IonicContact NH1-OD1 2.98Å; R3-D32 PolarHBondContact NH1-OD1 3.04Å; R3-D32 IonicContact NH1-OD2 3.84Å; R3-D32 PolarHBondContact NH1-OD2 2.77Å; R3-D32 IonicContact NH2-OD1 2.75Å; R3-D32 PolarHBondContact NH2-OD1 2.94Å; R3-D32 IonicContact NH2-OD2 3.39Å; R3-D32 PolarHBondContact NH2-OD2 3.17Å; R3-V37 HydrophobicContact CB-CG2 4.44Å
4A71.2Confident72.8Confident0 Ų087 Ų870%043%0.427CS..Hα-helixtrans-64-38.5178.300000112.4M1 I2 V7 R8 Y36 V37 T40M1-A4 PolarHBondContact O-N 3.1Å; I2-A4 PolarHBondContact O-N 3.29Å; A4-V7 PolarHBondContact O-N 2.68Å; A4-R8 WeakPolarHBondContact O-CG 3.19Å; A4-R8 PolarHBondContact O-N 2.98Å; A4-Y36 HydrophobicContact CB-CD1 3.67Å; A4-Y36 HydrophobicContact CB-CE1 3.59Å; A4-V37 HydrophobicContact CB-CG2 4.29Å; A4-T40 HydrophobicContact CB-CG2 3.99Å; A4-T40 WeakPolarHBondContact O-CG2 3.27Å
5L75.1Confident72.9Confident108 Ų10885.8 Ų85.857%0.56543%0.426SS*.Hα-helixtrans-64.4-46.1175.4-174.463.8000111M1 I2 R3 V7 R8 T9M1-L5 PolarHBondContact O-N 3.01Å; M1-L5 VanDerWaalsContact O-N 3.12Å; I2-L5 PolarHBondContact O-N 2.79Å; R3-L5 VanDerWaalsContact C-N 3.34Å; R3-L5 PolarHBondContact O-N 3.07Å; L5-V7 VanDerWaalsContact C-N 3.32Å; L5-V7 PolarHBondContact O-N 3.23Å; L5-R8 PolarHBondContact O-N 3.13Å; L5-T9 WeakPolarHBondContact O-CB 3.27Å; L5-T9 PolarHBondContact O-N 3.14Å; L5-T9 PolarHBondContact O-OG1 3.39Å; L5-T9 VanDerWaalsContact O-OG1 3.05Å
6A77.4Confident72.7Confident40 Ų4087.1 Ų87.133%0.33144%0.435SS..Hα-helixtrans-57.6-45.3176.700000111.6I2 R3 R8 T9 M10I2-A6 PolarHBondContact O-N 2.97Å; R3-A6 PolarHBondContact O-N 3.04Å; A6-R8 PolarHBondContact O-N 3.06Å; A6-T9 PolarHBondContact O-N 2.77Å; A6-M10 WeakPolarHBondContact O-CB 3.41Å; A6-M10 VanDerWaalsContact O-CG 3.23Å; A6-M10 WeakPolarHBondContact O-CG 3.15Å; A6-M10 PolarHBondContact O-N 3.23Å
7V75.9Confident72.5Confident5 Ų591.9 Ų91.93%0.0345%0.453CS..Hα-helixtrans-59.6-46.7176.3170.10000111.5R3 A4 L5 T9 M10 G11 L26 C29 T40 C44R3-V7 WeakPolarHBondContact O-CG2 3.3Å; R3-V7 PolarHBondContact O-N 3.04Å; A4-V7 PolarHBondContact O-N 2.68Å; L5-V7 VanDerWaalsContact C-N 3.32Å; L5-V7 PolarHBondContact O-N 3.23Å; V7-T9 VanDerWaalsContact C-N 3.34Å; V7-T9 PolarHBondContact O-N 3.44Å; V7-M10 PolarHBondContact O-N 2.87Å; V7-G11 PolarHBondContact O-N 2.98Å; V7-L26 HydrophobicContact CG1-CD1 4.07Å; V7-C29 HydrophobicContact CG2-CB 4.11Å; V7-C29 VanDerWaalsContact CG2-SG 3.51Å; V7-T40 HydrophobicContact CG1-CG2 4.44Å; V7-C44 HydrophobicContact CG1-CB 3.38Å; V7-C44 PolarHBondContact O-SG 3.24Å; V7-C44 VanDerWaalsContact O-SG 3.41Å
8R75.3Confident72.5Confident128 Ų12890.6 Ų90.648%0.48345%0.447SS..Hα-helixtrans-62-41.2176.4-74.7174.962.8175.40.6112.6A4 L5 A6 C12 T40A4-R8 WeakPolarHBondContact O-CG 3.19Å; A4-R8 PolarHBondContact O-N 2.98Å; L5-R8 PolarHBondContact O-N 3.13Å; A6-R8 PolarHBondContact O-N 3.06Å; R8-C12 PolarHBondContact O-N 3.35Å; R8-C12 PolarHBondContact O-SG 3.26Å; R8-T40 HydrophobicContact CG-CG2 3.35Å
9T77.8Confident72.5Confident77 Ų7786 Ų8647%0.47243%0.425SS..Hα-helixtrans-67.2-46.5179-60.30000110.6L5 A6 V7 G11 C12L5-T9 WeakPolarHBondContact O-CB 3.27Å; L5-T9 PolarHBondContact O-N 3.14Å; L5-T9 PolarHBondContact O-OG1 3.39Å; L5-T9 VanDerWaalsContact O-OG1 3.05Å; A6-T9 PolarHBondContact O-N 2.77Å; V7-T9 VanDerWaalsContact C-N 3.34Å; V7-T9 PolarHBondContact O-N 3.44Å; T9-G11 PolarHBondContact O-N 3.08Å; T9-C12 PolarHBondContact O-N 3.34Å; T9-C12 VanDerWaalsContact O-N 3.11Å
10M71Confident72.7Confident79 Ų7988.4 Ų88.439%0.38944%0.435SS..Hα-helixtrans-61.7-42.2178.7-72.4171.8173.700111.8A6 V7 C12 I13 L22A6-M10 WeakPolarHBondContact O-CB 3.41Å; A6-M10 VanDerWaalsContact O-CG 3.23Å; A6-M10 WeakPolarHBondContact O-CG 3.15Å; A6-M10 PolarHBondContact O-N 3.23Å; V7-M10 PolarHBondContact O-N 2.87Å; M10-C12 PolarHBondContact O-N 3.22Å; M10-I13 PolarHBondContact O-N 2.87Å; M10-L22 HydrophobicContact CB-CD1 3.53Å; M10-L22 HydrophobicContact CB-CD2 4.03Å; M10-L22 HydrophobicContact CB-CG 4.36Å; M10-L22 HydrophobicContact CG-CD1 4.16Å; M10-L22 HydrophobicContact SD-CD1 3.63Å
11G67.7Low73.2Confident5 Ų592.8 Ų92.85%0.05245%0.448CS..THydrogen-bonded Turntrans-66.7-12.517600000115V7 T9V7-G11 PolarHBondContact O-N 2.98Å; T9-G11 PolarHBondContact O-N 3.08Å
12C71.4Confident74.1Confident80 Ų8085 Ų8554%0.54141%0.409SS..THydrogen-bonded Turntrans-91.9-10.3173.1-67.80000113R8 T9 M10 R14 K47R8-C12 PolarHBondContact O-N 3.35Å; R8-C12 PolarHBondContact O-SG 3.26Å; T9-C12 PolarHBondContact O-N 3.34Å; T9-C12 VanDerWaalsContact O-N 3.11Å; M10-C12 PolarHBondContact O-N 3.22Å; C12-R14 PolarHBondContact O-N 3.37Å; C12-K47 PolarHBondContact SG-NZ 3.21Å
13I73.7Confident74.6Confident68 Ų6878.1 Ų78.135%0.34938%0.375SS..  trans-87.299.2-179.6-60.1170000108.1M10 V15 I18M10-I13 PolarHBondContact O-N 2.87Å; I13-V15 HydrophobicContact CG2-CB 4.11Å; I13-V15 HydrophobicContact CG2-CG2 3.76Å; I13-V15 PolarHBondContact O-N 3.17Å; I13-I18 HydrophobicContact CG2-CD1 3.7Å
14R68.9Low75.1Confident179 Ų17977 Ų7768%0.67538%0.378SS*.  trans-78.960.5179-62.7-173.4166178.2-8111.9C12 D50 I51C12-R14 PolarHBondContact O-N 3.37Å; R14-D50 IonicContact CZ-OD2 3.68Å; R14-D50 IonicContact NH2-OD2 2.76Å; R14-D50 PolarHBondContact NH2-OD2 3.44Å; R14-I51 HydrophobicContact CG-CD1 4.07Å; R14-I51 HydrophobicContact CG-CG1 4.07Å
15V73.3Confident75.9Confident69 Ų6979.1 Ų79.142%0.41839%0.392SS..  trans-122.9112.9175.2-179.90000107.8I13 K17 I18 T19I13-V15 HydrophobicContact CG2-CB 4.11Å; I13-V15 HydrophobicContact CG2-CG2 3.76Å; I13-V15 PolarHBondContact O-N 3.17Å; V15-K17 HydrophobicContact CG1-CB 4.33Å; V15-K17 PolarHBondContact O-N 3.03Å; V15-K17 VanDerWaalsContact O-N 3.09Å; V15-I18 HydrophobicContact CB-CB 4.36Å; V15-I18 HydrophobicContact CB-CD1 3.96Å; V15-I18 HydrophobicContact CB-CG1 4.12Å; V15-I18 HydrophobicContact CG1-CD1 4.2Å; V15-I18 HydrophobicContact CG1-CG1 4.12Å; V15-I18 HydrophobicContact CG2-CD1 4.37Å; V15-I18 WeakPolarHBondContact O-CA 3.39Å; V15-I18 WeakPolarHBondContact O-CB 3.48Å; V15-I18 PolarHBondContact O-N 2.9Å; V15-T19 PolarHBondContact O-N 2.97Å
16D69.6Low76.5Confident106 Ų10674 Ų7457%0.56737%0.365SS*.Hα-helixtrans-55.1-33.7-175.1-54-32.5000112.8I18 T19D16-I18 PolarHBondContact O-N 3.3Å; D16-T19 PolarHBondContact O-N 3.21Å; D16-T19 PolarHBondContact O-OG1 3.23Å
17K69.8Low77.1Confident169 Ų16976 Ų7674%0.73536%0.364SS*.Hα-helixtrans-66.5-22.5176.6-68.1-171.5178-177.40113.7V15 Y21V15-K17 HydrophobicContact CG1-CB 4.33Å; V15-K17 PolarHBondContact O-N 3.03Å; V15-K17 VanDerWaalsContact O-N 3.09Å; K17-Y21 WeakPolarHBondContact O-CD2 3.17Å; K17-Y21 VanDerWaalsContact O-CE2 3.24Å; K17-Y21 WeakPolarHBondContact O-CE2 3.31Å
18I72.2Confident77.8Confident68 Ų6883.4 Ų83.435%0.34940%0.396SS..Hα-helixtrans-90.5-27-178.2-64.2177.7000110.7I13 V15 D16 E20 Y21 L22I13-I18 HydrophobicContact CG2-CD1 3.7Å; V15-I18 HydrophobicContact CB-CB 4.36Å; V15-I18 HydrophobicContact CB-CD1 3.96Å; V15-I18 HydrophobicContact CB-CG1 4.12Å; V15-I18 HydrophobicContact CG1-CD1 4.2Å; V15-I18 HydrophobicContact CG1-CG1 4.12Å; V15-I18 HydrophobicContact CG2-CD1 4.37Å; V15-I18 WeakPolarHBondContact O-CA 3.39Å; V15-I18 WeakPolarHBondContact O-CB 3.48Å; V15-I18 PolarHBondContact O-N 2.9Å; D16-I18 PolarHBondContact O-N 3.3Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.5Å; I18-Y21 PolarHBondContact O-N 3.29Å; I18-Y21 VanDerWaalsContact O-N 3.17Å; I18-L22 PolarHBondContact O-N 3.16Å; I18-L22 VanDerWaalsContact O-N 3.1Å
19T72.2Confident78.5Confident4 Ų477.8 Ų77.83%0.02538%0.376CS..Hα-helixtrans-63.8-36.6-177.7570000112.1V15 D16 Y21 L22 C23 L48 I51V15-T19 PolarHBondContact O-N 2.97Å; D16-T19 PolarHBondContact O-N 3.21Å; D16-T19 PolarHBondContact O-OG1 3.23Å; T19-Y21 PolarHBondContact O-N 3.18Å; T19-L22 WeakPolarHBondContact O-CB 3.38Å; T19-L22 PolarHBondContact O-N 2.82Å; T19-L22 VanDerWaalsContact O-N 3.11Å; T19-C23 PolarHBondContact O-N 3.02Å; T19-C23 PolarHBondContact O-SG 2.92Å; T19-L48 HydrophobicContact CG2-CD1 3.82Å; T19-I51 HydrophobicContact CG2-CD1 4.42Å; T19-I51 HydrophobicContact CG2-CG2 3.88Å
20E78.1Confident79.1Confident133 Ų13374.3 Ų74.362%0.62136%0.355SS*.Hα-helixtrans-61-42.3173.7-67.5179.7-166.500112.4I18 L22 C23I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.5Å; E20-L22 PolarHBondContact O-N 3.43Å; E20-C23 PolarHBondContact O-N 2.86Å
21Y81.5Confident80.1Confident182 Ų18277.5 Ų77.571%0.71437%0.366SS*.Hα-helixtrans-71.9-18.1176.5-64.1-80.6000113.2K17 I18 T19 P25K17-Y21 WeakPolarHBondContact O-CD2 3.17Å; K17-Y21 VanDerWaalsContact O-CE2 3.24Å; K17-Y21 WeakPolarHBondContact O-CE2 3.31Å; I18-Y21 PolarHBondContact O-N 3.29Å; I18-Y21 VanDerWaalsContact O-N 3.17Å; T19-Y21 PolarHBondContact O-N 3.18Å; Y21-P25 WeakPolarHBondContact O-CD 3.46Å; Y21-P25 WeakPolarHBondContact O-CG 3.45Å
22L82.9Confident81.2Confident6 Ų677.9 Ų77.93%0.03137%0.368CS..Hα-helixtrans-78.6-25.3176.6-177.757.4000111.9M10 I18 T19 E20 D24 P25 L26M10-L22 HydrophobicContact CB-CD1 3.53Å; M10-L22 HydrophobicContact CB-CD2 4.03Å; M10-L22 HydrophobicContact CB-CG 4.36Å; M10-L22 HydrophobicContact CG-CD1 4.16Å; M10-L22 HydrophobicContact SD-CD1 3.63Å; I18-L22 PolarHBondContact O-N 3.16Å; I18-L22 VanDerWaalsContact O-N 3.1Å; T19-L22 WeakPolarHBondContact O-CB 3.38Å; T19-L22 PolarHBondContact O-N 2.82Å; T19-L22 VanDerWaalsContact O-N 3.11Å; E20-L22 PolarHBondContact O-N 3.43Å; L22-D24 PolarHBondContact O-N 3.32Å; L22-P25 HydrophobicContact CD1-CG 4.32Å; L22-P25 WeakPolarHBondContact O-CD 3.45Å; L22-P25 VanDerWaalsContact O-CG 3.28Å; L22-P25 WeakPolarHBondContact O-CG 3.42Å; L22-L26 HydrophobicContact CG-CB 4.44Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 PolarHBondContact O-N 3.41Å
23C85.7Confident82.1Confident3 Ų382.9 Ų82.92%0.0238%0.383CS..Hα-helixtrans-58.6-47.5-174.6-64.10000112.8T19 E20 L26 R27 Q59 F61T19-C23 PolarHBondContact O-N 3.02Å; T19-C23 PolarHBondContact O-SG 2.92Å; E20-C23 PolarHBondContact O-N 2.86Å; C23-L26 PolarHBondContact O-N 3.41Å; C23-R27 WeakPolarHBondContact O-CB 3.44Å; C23-R27 PolarHBondContact O-N 3.38Å; C23-Q59 HydrophobicContact CB-CG 4.34Å; C23-F61 HydrophobicContact CB-CE2 4.14Å; C23-F61 HydrophobicContact CB-CZ 4.01Å; C23-F61 WeakPolarHBondContact O-CZ 3.43Å
24D86.8Confident82.9Confident107 Ų10782.4 Ų82.457%0.57238%0.381SS*.Hα-helixtrans-62.7-52.8179.6-77.7-18.1000114.2L22 L26 R27 K28L22-D24 PolarHBondContact O-N 3.32Å; D24-L26 VanDerWaalsContact C-N 3.3Å; D24-L26 PolarHBondContact O-N 3.06Å; D24-R27 PolarHBondContact O-N 3.39Å; D24-K28 PolarHBondContact O-N 2.86Å
25P87.8Confident83.8Confident45 Ų4575.8 Ų75.829%0.29236%0.361SS..Hα-helixtrans-65.1-34.2176.323.4-31.8000112Y21 L22 K28 C29Y21-P25 WeakPolarHBondContact O-CD 3.46Å; Y21-P25 WeakPolarHBondContact O-CG 3.45Å; L22-P25 HydrophobicContact CD1-CG 4.32Å; L22-P25 WeakPolarHBondContact O-CD 3.45Å; L22-P25 VanDerWaalsContact O-CG 3.28Å; L22-P25 WeakPolarHBondContact O-CG 3.42Å; P25-K28 PolarHBondContact O-N 3.23Å; P25-C29 PolarHBondContact O-N 3.32Å; P25-C29 PolarHBondContact O-SG 3.27Å
26L88.5Confident84.5Confident0 Ų077.1 Ų77.10%036%0.359CS..Hα-helixtrans-63.8-45.4176.6-176.360.7000111.4V7 L22 C23 D24 K28 C29 L30 A41 C44 V45 L48 F61V7-L26 HydrophobicContact CG1-CD1 4.07Å; L22-L26 HydrophobicContact CG-CB 4.44Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 PolarHBondContact O-N 3.41Å; C23-L26 PolarHBondContact O-N 3.41Å; D24-L26 VanDerWaalsContact C-N 3.3Å; D24-L26 PolarHBondContact O-N 3.06Å; L26-K28 VanDerWaalsContact C-N 3.27Å; L26-K28 PolarHBondContact O-N 3.2Å; L26-C29 CarbonylContact O-C 3.59Å; L26-C29 WeakPolarHBondContact O-CA 3.44Å; L26-C29 PolarHBondContact O-N 3Å; L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 3.31Å; L26-A41 HydrophobicContact CD1-CB 3.94Å; L26-C44 HydrophobicContact CD1-CB 3.85Å; L26-V45 HydrophobicContact CD1-CG2 4.44Å; L26-V45 HydrophobicContact CD2-CG2 3.93Å; L26-V45 HydrophobicContact CG-CG2 4.34Å; L26-L48 HydrophobicContact CD2-CD2 3.82Å; L26-F61 HydrophobicContact CB-CE1 4.3Å; L26-F61 HydrophobicContact CB-CZ 4.29Å; L26-F61 HydrophobicContact CD2-CD1 4.46Å; L26-F61 HydrophobicContact CD2-CE1 4.03Å; L26-F61 HydrophobicContact CD2-CE2 4.37Å; L26-F61 HydrophobicContact CD2-CZ 3.99Å; L26-F61 HydrophobicContact CG-CE1 4.01Å; L26-F61 HydrophobicContact CG-CZ 4.28Å
27R89.8Confident85.5Confident82 Ų8272.1 Ų72.131%0.30933%0.333SS..Hα-helixtrans-58.4-38.9175.6-168.7-177.4-61.3-93.73.1112.1C23 D24 Q59 F61C23-R27 WeakPolarHBondContact O-CB 3.44Å; C23-R27 PolarHBondContact O-N 3.38Å; D24-R27 PolarHBondContact O-N 3.39Å; R27-Q59 PolarHBondContact NH1-O 3.49Å; R27-Q59 PolarHBondContact NH2-O 2.88Å; R27-F61 HydrophobicContact CB-CE1 4.16Å
28K90.4Very high86.5Confident161 Ų16165.5 Ų65.570%0.730%0.303SS*.Hα-helixtrans-66.5-40.1173.3-69.6175.7-177.8173.70111.9D24 P25 L26 K31 D32D24-K28 PolarHBondContact O-N 2.86Å; P25-K28 PolarHBondContact O-N 3.23Å; L26-K28 VanDerWaalsContact C-N 3.27Å; L26-K28 PolarHBondContact O-N 3.2Å; K28-K31 CarbonylContact O-C 3.48Å; K28-K31 PolarHBondContact O-N 3.26Å; K28-D32 PolarHBondContact O-N 3.13Å
29C90.3Very high87.4Confident10 Ų1064 Ų647%0.06829%0.294CS..Hα-helixtrans-70.6-29.5179.5-66.70000113.2V7 P25 L26 K31 D32 V37 A41V7-C29 HydrophobicContact CG2-CB 4.11Å; V7-C29 VanDerWaalsContact CG2-SG 3.51Å; P25-C29 PolarHBondContact O-N 3.32Å; P25-C29 PolarHBondContact O-SG 3.27Å; L26-C29 CarbonylContact O-C 3.59Å; L26-C29 WeakPolarHBondContact O-CA 3.44Å; L26-C29 PolarHBondContact O-N 3Å; C29-K31 PolarHBondContact O-N 2.76Å; C29-D32 WeakPolarHBondContact O-CB 3.47Å; C29-D32 PolarHBondContact O-N 3.3Å; C29-V37 HydrophobicContact CB-CG1 3.72Å; C29-A41 HydrophobicContact CB-CB 3.78Å
30L90.4Very high88.2Confident5 Ų564.2 Ų64.23%0.02630%0.295CS..Hα-helixtrans-66.7-27.4173.4-71.4166000112L26 R38 A41 V45 F61 Q64 L68L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 3.31Å; L30-R38 VanDerWaalsContact O-CD 3.32Å; L30-R38 WeakPolarHBondContact O-CD 3.41Å; L30-A41 HydrophobicContact CD2-CB 3.66Å; L30-A41 HydrophobicContact CG-CB 3.89Å; L30-V45 HydrophobicContact CD1-CG2 3.99Å; L30-V45 HydrophobicContact CD2-CG2 4.14Å; L30-F61 HydrophobicContact CD1-CD1 3.5Å; L30-F61 VanDerWaalsContact CD1-CD1 3.5Å; L30-F61 HydrophobicContact CD1-CE1 3.83Å; L30-Q64 HydrophobicContact CD1-CB 4.09Å; L30-L68 HydrophobicContact CD2-CD1 3.56Å
31K90.3Very high88.8Confident145 Ų14557.9 Ų57.963%0.6327%0.266SS*.THydrogen-bonded Turntrans-105.217.9177.4-60.6-174177.8-171.30113.3K28 C29K28-K31 CarbonylContact O-C 3.48Å; K28-K31 PolarHBondContact O-N 3.26Å; C29-K31 PolarHBondContact O-N 2.76Å
32D91.5Very high89.3Confident14 Ų1449.2 Ų49.28%0.07523%0.232CC..  trans-66.4153.1-178.7-150.3-72.2000111.5R3 K28 C29 D34 V37 R38R3-D32 IonicContact CZ-OD1 3.25Å; R3-D32 VanDerWaalsContact CZ-OD1 3.25Å; R3-D32 IonicContact CZ-OD2 2.99Å; R3-D32 IonicContact NE-OD2 3.66Å; R3-D32 VanDerWaalsContact NH1-CG 3.25Å; R3-D32 IonicContact NH1-OD1 2.98Å; R3-D32 PolarHBondContact NH1-OD1 3.04Å; R3-D32 IonicContact NH1-OD2 3.84Å; R3-D32 PolarHBondContact NH1-OD2 2.77Å; R3-D32 IonicContact NH2-OD1 2.75Å; R3-D32 PolarHBondContact NH2-OD1 2.94Å; R3-D32 IonicContact NH2-OD2 3.39Å; R3-D32 PolarHBondContact NH2-OD2 3.17Å; K28-D32 PolarHBondContact O-N 3.13Å; C29-D32 WeakPolarHBondContact O-CB 3.47Å; C29-D32 PolarHBondContact O-N 3.3Å; D32-D34 VanDerWaalsContact C-N 3.31Å; D32-D34 PolarHBondContact OD1-N 3.48Å; D32-V37 HydrophobicContact CB-CB 3.84Å; D32-V37 HydrophobicContact CB-CG1 3.72Å; D32-V37 WeakPolarHBondContact OD2-CG1 3.35Å; D32-R38 HydrophobicContact CB-CG 4.17Å; D32-R38 WeakPolarHBondContact O-CD 3.44Å; D32-R38 WeakPolarHBondContact O-CG 3.42Å; D32-R38 PolarHBondContact O-NH1 3.13Å
33E90.3Very high89.6Confident185 Ų18551.6 Ų51.686%0.86425%0.246SC*.SBendtrans-69.3-33.1175.1-64.7-178.7167.600111.7P35 R38E33-P35 WeakPolarHBondContact O-CD 3.3Å; E33-R38 PolarHBondContact O-NH1 2.84Å
34D89.5Confident89.8Confident57 Ų5751.5 Ų51.531%0.30525%0.246SC..SBendtrans-80.4116.6-176.9-177.3-8.9000111.3D32 Y36 V37 R38D32-D34 VanDerWaalsContact C-N 3.31Å; D32-D34 PolarHBondContact OD1-N 3.48Å; D34-Y36 PolarHBondContact O-N 3.14Å; D34-Y36 VanDerWaalsContact O-N 3.15Å; D34-Y36 VanDerWaalsContact OD1-CB 3.24Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.3Å; D34-Y36 PolarHBondContact OD1-N 3.47Å; D34-V37 HydrophobicContact CB-CB 4.28Å; D34-V37 HydrophobicContact CB-CG2 3.88Å; D34-V37 WeakPolarHBondContact O-CB 3.46Å; D34-V37 PolarHBondContact O-N 2.98Å; D34-R38 PolarHBondContact O-N 3.31Å; D34-R38 VanDerWaalsContact O-N 3.12Å
35P89.3Confident90Very high40 Ų4046.4 Ų46.426%0.2622%0.219SC..Hα-helixtrans-57.4-29.8177.4-23.533.9000113.4E33 V37 R38 K39 N73 V76E33-P35 WeakPolarHBondContact O-CD 3.3Å; P35-V37 VanDerWaalsContact C-N 3.3Å; P35-V37 PolarHBondContact O-N 3.42Å; P35-R38 PolarHBondContact O-N 2.85Å; P35-K39 PolarHBondContact O-N 2.83Å; P35-N73 HydrophobicContact CB-CB 4.07Å; P35-N73 HydrophobicContact CG-CB 4.32Å; P35-V76 HydrophobicContact CB-CG2 3.84Å; P35-V76 WeakPolarHBondContact O-CG2 3.32Å
36Y87.5Confident90.1Very high97 Ų9744.6 Ų44.638%0.3821%0.207SC..Hα-helixtrans-66.2-35.1176.4-172.2-88000111.6A4 D34 K39 T40A4-Y36 HydrophobicContact CB-CD1 3.67Å; A4-Y36 HydrophobicContact CB-CE1 3.59Å; D34-Y36 PolarHBondContact O-N 3.14Å; D34-Y36 VanDerWaalsContact O-N 3.15Å; D34-Y36 VanDerWaalsContact OD1-CB 3.24Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.3Å; D34-Y36 PolarHBondContact OD1-N 3.47Å; Y36-K39 WeakPolarHBondContact O-CG 3.41Å; Y36-T40 VanDerWaalsContact O-CB 3.32Å; Y36-T40 WeakPolarHBondContact O-CB 3.19Å; Y36-T40 PolarHBondContact O-N 2.72Å; Y36-T40 PolarHBondContact O-OG1 3.37Å
37V90.4Very high90Very high1 Ų147.9 Ų47.91%0.00622%0.221CC..Hα-helixtrans-72.6-44.9175.5-179.20000110.1R3 A4 C29 D32 D34 P35 K39 T40 A41R3-V37 HydrophobicContact CB-CG2 4.44Å; A4-V37 HydrophobicContact CB-CG2 4.29Å; C29-V37 HydrophobicContact CB-CG1 3.72Å; D32-V37 HydrophobicContact CB-CB 3.84Å; D32-V37 HydrophobicContact CB-CG1 3.72Å; D32-V37 WeakPolarHBondContact OD2-CG1 3.35Å; D34-V37 HydrophobicContact CB-CB 4.28Å; D34-V37 HydrophobicContact CB-CG2 3.88Å; D34-V37 WeakPolarHBondContact O-CB 3.46Å; D34-V37 PolarHBondContact O-N 2.98Å; P35-V37 VanDerWaalsContact C-N 3.3Å; P35-V37 PolarHBondContact O-N 3.42Å; V37-K39 PolarHBondContact O-N 3.24Å; V37-T40 PolarHBondContact O-N 2.69Å; V37-A41 WeakPolarHBondContact O-CB 3.39Å; V37-A41 PolarHBondContact O-N 2.79Å
38R92.1Very high89.9Confident30 Ų3044 Ų4411%0.11321%0.207CC..Hα-helixtrans-59.7-47.9178.9-64-159.2-63.6-93.96.4112.9L30 D32 E33 D34 P35 T40 A41 A42 L68 D71 V76L30-R38 VanDerWaalsContact O-CD 3.32Å; L30-R38 WeakPolarHBondContact O-CD 3.41Å; D32-R38 HydrophobicContact CB-CG 4.17Å; D32-R38 WeakPolarHBondContact O-CD 3.44Å; D32-R38 WeakPolarHBondContact O-CG 3.42Å; D32-R38 PolarHBondContact O-NH1 3.13Å; E33-R38 PolarHBondContact O-NH1 2.84Å; D34-R38 PolarHBondContact O-N 3.31Å; D34-R38 VanDerWaalsContact O-N 3.12Å; P35-R38 PolarHBondContact O-N 2.85Å; R38-T40 VanDerWaalsContact C-N 3.27Å; R38-T40 PolarHBondContact O-N 3.01Å; R38-A41 WeakPolarHBondContact O-CB 3.41Å; R38-A41 PolarHBondContact O-N 3.12Å; R38-A42 PolarHBondContact O-N 3.43Å; R38-L68 HydrophobicContact CB-CD2 4.49Å; R38-D71 IonicContact CZ-OD1 3.2Å; R38-D71 IonicContact CZ-OD2 2.87Å; R38-D71 IonicContact NE-OD2 2.59Å; R38-D71 PolarHBondContact NE-OD2 3.31Å; R38-D71 VanDerWaalsContact NH2-CG 3.34Å; R38-D71 IonicContact NH2-OD1 2.69Å; R38-D71 PolarHBondContact NH2-OD1 3.35Å; R38-D71 IonicContact NH2-OD2 3.18Å; R38-D71 PolarHBondContact NH2-OD2 3.3Å; R38-V76 HydrophobicContact CB-CG1 4.01Å; R38-V76 HydrophobicContact CB-CG2 4.07Å
39K89Confident89.9Confident36 Ų3637 Ų3716%0.15718%0.176CC..Hα-helixtrans-61.7-37.4176.676.6179.5-174.2178.50112.1P35 Y36 V37 A42 V43 V76 N79P35-K39 PolarHBondContact O-N 2.83Å; Y36-K39 WeakPolarHBondContact O-CG 3.41Å; V37-K39 PolarHBondContact O-N 3.24Å; K39-A42 WeakPolarHBondContact O-CB 3.06Å; K39-A42 PolarHBondContact O-N 3.29Å; K39-V43 PolarHBondContact O-N 3.3Å; K39-V76 HydrophobicContact CB-CG2 4.31Å; K39-N79 HydrophobicContact CB-CB 4.05Å
40T89.3Confident89.7Confident9 Ų940.7 Ų40.76%0.05520%0.195CC..Hα-helixtrans-70.9-36.5179.7-59.10000111.2A4 V7 R8 Y36 V37 R38 V43 C44A4-T40 HydrophobicContact CB-CG2 3.99Å; A4-T40 WeakPolarHBondContact O-CG2 3.27Å; V7-T40 HydrophobicContact CG1-CG2 4.44Å; R8-T40 HydrophobicContact CG-CG2 3.35Å; Y36-T40 VanDerWaalsContact O-CB 3.32Å; Y36-T40 WeakPolarHBondContact O-CB 3.19Å; Y36-T40 PolarHBondContact O-N 2.72Å; Y36-T40 PolarHBondContact O-OG1 3.37Å; V37-T40 PolarHBondContact O-N 2.69Å; R38-T40 VanDerWaalsContact C-N 3.27Å; R38-T40 PolarHBondContact O-N 3.01Å; T40-V43 PolarHBondContact O-N 3.11Å; T40-C44 PolarHBondContact O-N 3.28Å
41A91.9Very high89.5Confident0 Ų042.2 Ų42.20%020%0.203CC..Hα-helixtrans-63.9-42.317300000111.2L26 C29 L30 V37 R38 V43 C44 V45L26-A41 HydrophobicContact CD1-CB 3.94Å; C29-A41 HydrophobicContact CB-CB 3.78Å; L30-A41 HydrophobicContact CD2-CB 3.66Å; L30-A41 HydrophobicContact CG-CB 3.89Å; V37-A41 WeakPolarHBondContact O-CB 3.39Å; V37-A41 PolarHBondContact O-N 2.79Å; R38-A41 WeakPolarHBondContact O-CB 3.41Å; R38-A41 PolarHBondContact O-N 3.12Å; A41-V43 PolarHBondContact O-N 3.21Å; A41-C44 WeakPolarHBondContact O-CA 3.32Å; A41-C44 WeakPolarHBondContact O-CB 3.3Å; A41-C44 PolarHBondContact O-N 3.41Å; A41-V45 WeakPolarHBondContact O-CG2 3.4Å; A41-V45 PolarHBondContact O-N 2.89Å
42A92.2Very high89.3Confident0 Ų037.7 Ų37.70%019%0.185CC..Hα-helixtrans-56.6-48.2175.100000112.3R38 K39 C44 V45 V46 L65 L68R38-A42 PolarHBondContact O-N 3.43Å; K39-A42 WeakPolarHBondContact O-CB 3.06Å; K39-A42 PolarHBondContact O-N 3.29Å; A42-C44 VanDerWaalsContact C-N 3.26Å; A42-C44 PolarHBondContact O-N 2.85Å; A42-V45 WeakPolarHBondContact O-CB 3.35Å; A42-V45 PolarHBondContact O-N 2.9Å; A42-V45 VanDerWaalsContact O-N 3.12Å; A42-V46 PolarHBondContact O-N 3.47Å; A42-L65 HydrophobicContact CB-CD2 3.78Å; A42-L68 HydrophobicContact CB-CD1 4.19Å
43V89.2Confident89.1Confident56 Ų5638.5 Ų38.534%0.33919%0.194SC..Hα-helixtrans-62.4-33.7175176.30000112K39 T40 A41 V45 V46 K47 N79K39-V43 PolarHBondContact O-N 3.3Å; T40-V43 PolarHBondContact O-N 3.11Å; A41-V43 PolarHBondContact O-N 3.21Å; V43-V45 VanDerWaalsContact C-N 3.34Å; V43-V46 WeakPolarHBondContact O-CB 3.43Å; V43-V46 PolarHBondContact O-N 3.01Å; V43-K47 PolarHBondContact O-N 3.2Å; V43-N79 WeakPolarHBondContact CG2-OD1 3.12Å
44C89Confident88.9Confident2 Ų236.8 Ų36.81%0.01419%0.186CC..Hα-helixtrans-69.6-30.6176.5-168.50000112.9V7 L26 T40 A41 A42 V46 K47 L48V7-C44 HydrophobicContact CG1-CB 3.38Å; V7-C44 PolarHBondContact O-SG 3.24Å; V7-C44 VanDerWaalsContact O-SG 3.41Å; L26-C44 HydrophobicContact CD1-CB 3.85Å; T40-C44 PolarHBondContact O-N 3.28Å; A41-C44 WeakPolarHBondContact O-CA 3.32Å; A41-C44 WeakPolarHBondContact O-CB 3.3Å; A41-C44 PolarHBondContact O-N 3.41Å; A42-C44 VanDerWaalsContact C-N 3.26Å; A42-C44 PolarHBondContact O-N 2.85Å; C44-V46 VanDerWaalsContact C-N 3.31Å; C44-K47 PolarHBondContact O-N 2.94Å; C44-L48 WeakPolarHBondContact O-CB 3.27Å; C44-L48 PolarHBondContact O-N 3.35Å
45V91.2Very high88.8Confident0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-62.6-40.3174.5176.90000110.5L26 L30 A41 A42 V43 K47 L48 Y49 V56 F61 L65 I87L26-V45 HydrophobicContact CD1-CG2 4.44Å; L26-V45 HydrophobicContact CD2-CG2 3.93Å; L26-V45 HydrophobicContact CG-CG2 4.34Å; L30-V45 HydrophobicContact CD1-CG2 3.99Å; L30-V45 HydrophobicContact CD2-CG2 4.14Å; A41-V45 WeakPolarHBondContact O-CG2 3.4Å; A41-V45 PolarHBondContact O-N 2.89Å; A42-V45 WeakPolarHBondContact O-CB 3.35Å; A42-V45 PolarHBondContact O-N 2.9Å; A42-V45 VanDerWaalsContact O-N 3.12Å; V43-V45 VanDerWaalsContact C-N 3.34Å; V45-K47 PolarHBondContact O-N 3.38Å; V45-L48 WeakPolarHBondContact O-CB 3.18Å; V45-L48 PolarHBondContact O-N 3.34Å; V45-Y49 PolarHBondContact O-N 3.45Å; V45-V56 HydrophobicContact CG1-CG1 3.91Å; V45-F61 HydrophobicContact CG1-CB 3.86Å; V45-F61 HydrophobicContact CG2-CB 4.41Å; V45-F61 HydrophobicContact CG2-CD1 4.36Å; V45-F61 HydrophobicContact CG2-CG 4.48Å; V45-L65 HydrophobicContact CB-CD1 4.1Å; V45-L65 HydrophobicContact CB-CD2 4.34Å; V45-L65 HydrophobicContact CB-CG 4.38Å; V45-L65 HydrophobicContact CG1-CD1 3.57Å; V45-L65 HydrophobicContact CG1-CG 4.11Å; V45-L65 HydrophobicContact CG2-CD2 4.42Å; V45-I87 HydrophobicContact CG1-CD1 4.2Å
46V90.3Very high88.8Confident7 Ų733.2 Ų33.24%0.04216%0.164CC..Hα-helixtrans-57.9-49.2174.8-175.50000111.2A42 V43 C44 L48 Y49 D50 A83 E86 I87 M90A42-V46 PolarHBondContact O-N 3.47Å; V43-V46 WeakPolarHBondContact O-CB 3.43Å; V43-V46 PolarHBondContact O-N 3.01Å; C44-V46 VanDerWaalsContact C-N 3.31Å; V46-L48 VanDerWaalsContact C-N 3.26Å; V46-L48 PolarHBondContact O-N 2.91Å; V46-Y49 WeakPolarHBondContact O-CA 3.24Å; V46-Y49 WeakPolarHBondContact O-CB 3.33Å; V46-Y49 PolarHBondContact O-N 3.48Å; V46-Y49 VanDerWaalsContact O-N 3.07Å; V46-D50 PolarHBondContact O-N 2.84Å; V46-A83 HydrophobicContact CG2-CB 3.23Å; V46-E86 HydrophobicContact CG1-CB 4.08Å; V46-E86 VanDerWaalsContact CG1-CD 3.4Å; V46-E86 HydrophobicContact CG1-CG 3.82Å; V46-I87 HydrophobicContact CG2-CD1 4.4Å; V46-I87 HydrophobicContact CG2-CG1 4.45Å; V46-M90 HydrophobicContact CG1-CE 3.67Å
47K86.8Confident88.8Confident69 Ų6932.9 Ų32.930%0.317%0.166SC..Hα-helixtrans-62.8-35.6177.9-64.6-177177.3-169.30112.4C12 V43 C44 V45 Y49 D50 I51C12-K47 PolarHBondContact SG-NZ 3.21Å; V43-K47 PolarHBondContact O-N 3.2Å; C44-K47 PolarHBondContact O-N 2.94Å; V45-K47 PolarHBondContact O-N 3.38Å; K47-Y49 VanDerWaalsContact C-N 3.32Å; K47-D50 PolarHBondContact O-N 3.12Å; K47-I51 WeakPolarHBondContact O-CG1 3.34Å; K47-I51 PolarHBondContact O-N 3.33Å
48L87.7Confident88.7Confident1 Ų139.4 Ų39.41%0.00520%0.201CC..Hα-helixtrans-67-37.4175.2-171.762000110.8T19 L26 C44 V45 V46 I51 N52 L55 V56 F61T19-L48 HydrophobicContact CG2-CD1 3.82Å; L26-L48 HydrophobicContact CD2-CD2 3.82Å; C44-L48 WeakPolarHBondContact O-CB 3.27Å; C44-L48 PolarHBondContact O-N 3.35Å; V45-L48 WeakPolarHBondContact O-CB 3.18Å; V45-L48 PolarHBondContact O-N 3.34Å; V46-L48 VanDerWaalsContact C-N 3.26Å; V46-L48 PolarHBondContact O-N 2.91Å; L48-I51 PolarHBondContact O-N 2.85Å; L48-N52 CarbonylContact O-C 3.57Å; L48-N52 PolarHBondContact O-N 3.13Å; L48-L55 HydrophobicContact CD1-CD2 4.3Å; L48-V56 HydrophobicContact CB-CG2 3.95Å; L48-V56 HydrophobicContact CD2-CG2 3.93Å; L48-V56 HydrophobicContact CG-CG2 3.64Å; L48-F61 HydrophobicContact CD2-CD2 4.2Å; L48-F61 HydrophobicContact CD2-CE2 3.93Å
49Y89.5Confident88.6Confident13 Ų1341 Ų415%0.05121%0.21CC..Hα-helixtrans-65-40.8175.9-165.4-91000111.8V45 V46 K47 I51 A53 V56 E57 I87 M90 S91 L95V45-Y49 PolarHBondContact O-N 3.45Å; V46-Y49 WeakPolarHBondContact O-CA 3.24Å; V46-Y49 WeakPolarHBondContact O-CB 3.33Å; V46-Y49 PolarHBondContact O-N 3.48Å; V46-Y49 VanDerWaalsContact O-N 3.07Å; K47-Y49 VanDerWaalsContact C-N 3.32Å; Y49-I51 PolarHBondContact O-N 3.46Å; Y49-A53 HydrophobicContact CD1-CB 4.28Å; Y49-A53 HydrophobicContact CD2-CB 4.01Å; Y49-A53 HydrophobicContact CE1-CB 3.95Å; Y49-A53 HydrophobicContact CE2-CB 3.63Å; Y49-A53 HydrophobicContact CG-CB 4.32Å; Y49-A53 PolarHBondContact O-N 3.44Å; Y49-V56 HydrophobicContact CD2-CB 3.85Å; Y49-V56 HydrophobicContact CD2-CG1 3.85Å; Y49-V56 HydrophobicContact CD2-CG2 4.29Å; Y49-E57 HydrophobicContact CE2-CG 4.45Å; Y49-E57 PolarHBondContact OH-OE1 2.75Å; Y49-I87 HydrophobicContact CD1-CG1 4.27Å; Y49-I87 HydrophobicContact CD1-CG2 4.11Å; Y49-I87 HydrophobicContact CD2-CG1 4.49Å; Y49-I87 HydrophobicContact CD2-CG2 3.97Å; Y49-I87 HydrophobicContact CE1-CG2 4.03Å; Y49-I87 HydrophobicContact CE2-CG2 3.92Å; Y49-I87 HydrophobicContact CG-CG1 4.01Å; Y49-I87 HydrophobicContact CG-CG2 4.08Å; Y49-M90 HydrophobicContact CD1-CB 4.09Å; Y49-M90 HydrophobicContact CD1-CE 3.87Å; Y49-M90 HydrophobicContact CD1-SD 4.4Å; Y49-M90 HydrophobicContact CE1-CB 3.94Å; Y49-S91 VanDerWaalsContact OH-CB 3.32Å; Y49-S91 WeakPolarHBondContact OH-CB 3.2Å; Y49-S91 PolarHBondContact OH-OG 2.98Å; Y49-S91 VanDerWaalsContact OH-OG 3.13Å; Y49-L95 HydrophobicContact CE2-CD1 3.99Å; Y49-L95 WeakPolarHBondContact OH-CD1 3.32Å
50D87.3Confident88.7Confident87 Ų8740.2 Ų40.247%0.46521%0.212SC..Hα-helixtrans-59.9-32.2173.7179.153000112.6R14 V46 K47 M90R14-D50 IonicContact CZ-OD2 3.68Å; R14-D50 IonicContact NH2-OD2 2.76Å; R14-D50 PolarHBondContact NH2-OD2 3.44Å; V46-D50 PolarHBondContact O-N 2.84Å; K47-D50 PolarHBondContact O-N 3.12Å; D50-M90 HydrophobicContact CB-SD 4.17Å
51I85.2Confident88.8Confident38 Ų3839.8 Ų39.820%0.19521%0.209CC..Hα-helixtrans-84.2-49.9178.3-60.7164.4000111.1R14 T19 K47 L48 Y49R14-I51 HydrophobicContact CG-CD1 4.07Å; R14-I51 HydrophobicContact CG-CG1 4.07Å; T19-I51 HydrophobicContact CG2-CD1 4.42Å; T19-I51 HydrophobicContact CG2-CG2 3.88Å; K47-I51 WeakPolarHBondContact O-CG1 3.34Å; K47-I51 PolarHBondContact O-N 3.33Å; L48-I51 PolarHBondContact O-N 2.85Å; Y49-I51 PolarHBondContact O-N 3.46Å
52N85.5Confident88.7Confident50 Ų5040.6 Ų40.627%0.26721%0.214SC..  trans-149.893.9-176.1-171.9-21.3000110.8L48 E54 L55 V56L48-N52 CarbonylContact O-C 3.57Å; L48-N52 PolarHBondContact O-N 3.13Å; N52-E54 PolarHBondContact OD1-N 3.05Å; N52-L55 HydrophobicContact CB-CB 4.03Å; N52-L55 PolarHBondContact O-N 3.37Å; N52-L55 PolarHBondContact OD1-N 2.9Å; N52-V56 PolarHBondContact O-N 3.3Å
53A87.4Confident88.6Confident31 Ų3145.3 Ų45.326%0.25624%0.239SC..Hα-helixtrans-62-41.2177.700000113Y49 L55 V56 E57Y49-A53 HydrophobicContact CD1-CB 4.28Å; Y49-A53 HydrophobicContact CD2-CB 4.01Å; Y49-A53 HydrophobicContact CE1-CB 3.95Å; Y49-A53 HydrophobicContact CE2-CB 3.63Å; Y49-A53 HydrophobicContact CG-CB 4.32Å; Y49-A53 PolarHBondContact O-N 3.44Å; A53-L55 VanDerWaalsContact C-N 3.33Å; A53-L55 PolarHBondContact O-N 3.49Å; A53-V56 PolarHBondContact O-N 2.89Å; A53-V56 VanDerWaalsContact O-N 3.11Å; A53-E57 PolarHBondContact O-N 3.33Å; A53-E57 VanDerWaalsContact O-N 3.1Å
54E87.4Confident88.7Confident148 Ų14843.2 Ų43.269%0.69223%0.225SC*.Hα-helixtrans-60.2-43.9-179.3-64-177.5171.800111.1N52 V56 E57 D58N52-E54 PolarHBondContact OD1-N 3.05Å; E54-V56 VanDerWaalsContact C-N 3.29Å; E54-V56 PolarHBondContact O-N 3.1Å; E54-E57 PolarHBondContact O-N 3.43Å; E54-D58 WeakPolarHBondContact O-CB 3.4Å; E54-D58 PolarHBondContact O-N 3.13Å
55L87.3Confident88.8Confident22 Ų2243.1 Ų43.112%0.11523%0.225CC..Hα-helixtrans-61.5-37.5177-17768.4000112.2L48 N52 A53 Q59L48-L55 HydrophobicContact CD1-CD2 4.3Å; N52-L55 HydrophobicContact CB-CB 4.03Å; N52-L55 PolarHBondContact O-N 3.37Å; N52-L55 PolarHBondContact OD1-N 2.9Å; A53-L55 VanDerWaalsContact C-N 3.33Å; A53-L55 PolarHBondContact O-N 3.49Å; L55-Q59 HydrophobicContact CD1-CG 4.05Å; L55-Q59 HydrophobicContact CG-CG 4.36Å; L55-Q59 VanDerWaalsContact O-CB 3.24Å; L55-Q59 WeakPolarHBondContact O-CB 3.32Å; L55-Q59 WeakPolarHBondContact O-CG 3.47Å; L55-Q59 PolarHBondContact O-N 3.41Å
56V88Confident88.6Confident0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-69-39-179.9176.40000111.6V45 L48 Y49 N52 A53 E54 G60 F61 L62V45-V56 HydrophobicContact CG1-CG1 3.91Å; L48-V56 HydrophobicContact CB-CG2 3.95Å; L48-V56 HydrophobicContact CD2-CG2 3.93Å; L48-V56 HydrophobicContact CG-CG2 3.64Å; Y49-V56 HydrophobicContact CD2-CB 3.85Å; Y49-V56 HydrophobicContact CD2-CG1 3.85Å; Y49-V56 HydrophobicContact CD2-CG2 4.29Å; N52-V56 PolarHBondContact O-N 3.3Å; A53-V56 PolarHBondContact O-N 2.89Å; A53-V56 VanDerWaalsContact O-N 3.11Å; E54-V56 VanDerWaalsContact C-N 3.29Å; E54-V56 PolarHBondContact O-N 3.1Å; V56-G60 PolarHBondContact O-N 3.02Å; V56-F61 HydrophobicContact CG1-CB 3.78Å; V56-F61 HydrophobicContact CG1-CD2 4.45Å; V56-F61 PolarHBondContact O-N 2.95Å; V56-F61 VanDerWaalsContact O-N 3.13Å; V56-L62 HydrophobicContact CG1-CD2 4.22Å; V56-L62 HydrophobicContact CG1-CG 4.42Å
57E87.7Confident88.7Confident90 Ų9051.8 Ų51.842%0.42126%0.264SS..Hα-helixtrans-68.1-49.8175.7-70.2-178.7-159.900111.1Y49 A53 E54 Q59 G60 L62Y49-E57 HydrophobicContact CE2-CG 4.45Å; Y49-E57 PolarHBondContact OH-OE1 2.75Å; A53-E57 PolarHBondContact O-N 3.33Å; A53-E57 VanDerWaalsContact O-N 3.1Å; E54-E57 PolarHBondContact O-N 3.43Å; E57-Q59 VanDerWaalsContact C-N 3.3Å; E57-Q59 PolarHBondContact O-N 3.32Å; E57-G60 PolarHBondContact O-N 3.46Å; E57-L62 HydrophobicContact CG-CD1 3.85Å
58D88.9Confident88.8Confident138 Ų13849 Ų4974%0.73825%0.252SS*.Hα-helixtrans-61.5-36-179.9-79.7-11000113E54 G60E54-D58 WeakPolarHBondContact O-CB 3.4Å; E54-D58 PolarHBondContact O-N 3.13Å; D58-G60 VanDerWaalsContact C-N 3.28Å; D58-G60 PolarHBondContact O-N 3.28Å
59Q89.1Confident88.7Confident64 Ų6449.9 Ų49.930%0.29926%0.256SS..THydrogen-bonded Turntrans-79.3-9.1178.2-68.3-66-38.400113.2C23 R27 L55 E57 F61C23-Q59 HydrophobicContact CB-CG 4.34Å; R27-Q59 PolarHBondContact NH1-O 3.49Å; R27-Q59 PolarHBondContact NH2-O 2.88Å; L55-Q59 HydrophobicContact CD1-CG 4.05Å; L55-Q59 HydrophobicContact CG-CG 4.36Å; L55-Q59 VanDerWaalsContact O-CB 3.24Å; L55-Q59 WeakPolarHBondContact O-CB 3.32Å; L55-Q59 WeakPolarHBondContact O-CG 3.47Å; L55-Q59 PolarHBondContact O-N 3.41Å; E57-Q59 VanDerWaalsContact C-N 3.3Å; E57-Q59 PolarHBondContact O-N 3.32Å; Q59-F61 HydrophobicContact CB-CD2 3.55Å; Q59-F61 HydrophobicContact CB-CE2 3.44Å; Q59-F61 VanDerWaalsContact CB-CE2 3.44Å; Q59-F61 HydrophobicContact CB-CG 4.41Å; Q59-F61 HydrophobicContact CB-CZ 4.23Å; Q59-F61 HydrophobicContact CG-CD2 4.44Å; Q59-F61 HydrophobicContact CG-CE2 3.96Å
60G91Very high88.6Confident19 Ų1953 Ų5320%0.19628%0.281CS..THydrogen-bonded Turntrans65.636.4-177.500000112.8V56 E57 D58 L62 Q64V56-G60 PolarHBondContact O-N 3.02Å; E57-G60 PolarHBondContact O-N 3.46Å; D58-G60 VanDerWaalsContact C-N 3.28Å; D58-G60 PolarHBondContact O-N 3.28Å; G60-L62 VanDerWaalsContact C-N 3.32Å; G60-Q64 PolarHBondContact O-NE2 3.14Å
61F91.6Very high88.7Confident0 Ų050.3 Ų50.30%027%0.266CS..Hα-helixtrans-73.2-27.1174.5-76.6-59.5000112.2C23 L26 R27 L30 V45 L48 V56 Q59 D63 Q64 L65C23-F61 HydrophobicContact CB-CE2 4.14Å; C23-F61 HydrophobicContact CB-CZ 4.01Å; C23-F61 WeakPolarHBondContact O-CZ 3.43Å; L26-F61 HydrophobicContact CB-CE1 4.3Å; L26-F61 HydrophobicContact CB-CZ 4.29Å; L26-F61 HydrophobicContact CD2-CD1 4.46Å; L26-F61 HydrophobicContact CD2-CE1 4.03Å; L26-F61 HydrophobicContact CD2-CE2 4.37Å; L26-F61 HydrophobicContact CD2-CZ 3.99Å; L26-F61 HydrophobicContact CG-CE1 4.01Å; L26-F61 HydrophobicContact CG-CZ 4.28Å; R27-F61 HydrophobicContact CB-CE1 4.16Å; L30-F61 HydrophobicContact CD1-CD1 3.5Å; L30-F61 VanDerWaalsContact CD1-CD1 3.5Å; L30-F61 HydrophobicContact CD1-CE1 3.83Å; V45-F61 HydrophobicContact CG1-CB 3.86Å; V45-F61 HydrophobicContact CG2-CB 4.41Å; V45-F61 HydrophobicContact CG2-CD1 4.36Å; V45-F61 HydrophobicContact CG2-CG 4.48Å; L48-F61 HydrophobicContact CD2-CD2 4.2Å; L48-F61 HydrophobicContact CD2-CE2 3.93Å; V56-F61 HydrophobicContact CG1-CB 3.78Å; V56-F61 HydrophobicContact CG1-CD2 4.45Å; V56-F61 PolarHBondContact O-N 2.95Å; V56-F61 VanDerWaalsContact O-N 3.13Å; Q59-F61 HydrophobicContact CB-CD2 3.55Å; Q59-F61 HydrophobicContact CB-CE2 3.44Å; Q59-F61 VanDerWaalsContact CB-CE2 3.44Å; Q59-F61 HydrophobicContact CB-CG 4.41Å; Q59-F61 HydrophobicContact CB-CZ 4.23Å; Q59-F61 HydrophobicContact CG-CD2 4.44Å; Q59-F61 HydrophobicContact CG-CE2 3.96Å; F61-D63 VanDerWaalsContact C-N 3.32Å; F61-D63 PolarHBondContact O-N 3.41Å; F61-Q64 PolarHBondContact O-N 2.94Å; F61-L65 PolarHBondContact O-N 3.38Å
62L89.7Confident88.8Confident18 Ų1854 Ų549%0.09430%0.295CS..Hα-helixtrans-61-41.2174.6-61.9-178.8000111.8V56 E57 G60 Q64 L65 K66 I87 L95V56-L62 HydrophobicContact CG1-CD2 4.22Å; V56-L62 HydrophobicContact CG1-CG 4.42Å; E57-L62 HydrophobicContact CG-CD1 3.85Å; G60-L62 VanDerWaalsContact C-N 3.32Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; L62-L65 PolarHBondContact O-N 2.98Å; L62-K66 WeakPolarHBondContact O-CG 3.4Å; L62-K66 PolarHBondContact O-N 3.26Å; L62-I87 HydrophobicContact CD2-CD1 4.18Å; L62-I87 HydrophobicContact CD2-CG2 3.9Å; L62-L95 HydrophobicContact CD1-CB 4.37Å; L62-L95 HydrophobicContact CD1-CD1 3.8Å; L62-L95 HydrophobicContact CD1-CD2 4.24Å; L62-L95 HydrophobicContact CD1-CG 4.37Å; L62-L95 HydrophobicContact CD2-CD1 4.37Å
63D90.7Very high88.9Confident98 Ų9853.6 Ų53.652%0.52429%0.293SS..Hα-helixtrans-67.6-37.5177.2-65-34.6000111.3F61 K66 E67F61-D63 VanDerWaalsContact C-N 3.32Å; F61-D63 PolarHBondContact O-N 3.41Å; D63-K66 WeakPolarHBondContact O-CB 3.16Å; D63-K66 PolarHBondContact O-N 3.17Å; D63-E67 WeakPolarHBondContact O-CG 3.4Å; D63-E67 PolarHBondContact O-N 2.97Å
64Q91.3Very high88.8Confident12 Ų1253.2 Ų53.26%0.05629%0.288CS..Hα-helixtrans-65.6-38.4174.1-70.1170.653.600112.4L30 G60 F61 L62 K66 E67 L68L30-Q64 HydrophobicContact CD1-CB 4.09Å; G60-Q64 PolarHBondContact O-NE2 3.14Å; F61-Q64 PolarHBondContact O-N 2.94Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; Q64-K66 VanDerWaalsContact C-N 3.32Å; Q64-E67 WeakPolarHBondContact O-CB 3.31Å; Q64-E67 PolarHBondContact O-N 2.88Å; Q64-L68 WeakPolarHBondContact O-CG 3.18Å; Q64-L68 PolarHBondContact O-N 3.27Å
65L90.9Very high88.7Confident0 Ų049 Ų490%027%0.269CS..Hα-helixtrans-62.9-40172.3-75.9177.6000111.5A42 V45 F61 L62 E67 L68 M69 A83 L84 I87A42-L65 HydrophobicContact CB-CD2 3.78Å; V45-L65 HydrophobicContact CB-CD1 4.1Å; V45-L65 HydrophobicContact CB-CD2 4.34Å; V45-L65 HydrophobicContact CB-CG 4.38Å; V45-L65 HydrophobicContact CG1-CD1 3.57Å; V45-L65 HydrophobicContact CG1-CG 4.11Å; V45-L65 HydrophobicContact CG2-CD2 4.42Å; F61-L65 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 2.98Å; L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 3.05Å; L65-L68 HydrophobicContact CD2-CD1 4.4Å; L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.1Å; L65-M69 PolarHBondContact O-N 3.34Å; L65-A83 HydrophobicContact CD1-CB 4.28Å; L65-A83 HydrophobicContact CD2-CB 4.17Å; L65-L84 HydrophobicContact CB-CD1 4.41Å; L65-L84 HydrophobicContact CB-CD2 3.86Å; L65-L84 HydrophobicContact CB-CG 4.06Å; L65-L84 HydrophobicContact CD1-CD2 4.13Å; L65-L84 HydrophobicContact CD1-CG 4.45Å; L65-I87 HydrophobicContact CD1-CD1 3.57Å
66K88.6Confident88.9Confident67 Ų6747.9 Ų47.929%0.29126%0.263SS..Hα-helixtrans-64.2-38.3175.2-70.1169.4-175.9172.80111.9L62 D63 Q64 L68 M69 L84 L95L62-K66 WeakPolarHBondContact O-CG 3.4Å; L62-K66 PolarHBondContact O-N 3.26Å; D63-K66 WeakPolarHBondContact O-CB 3.16Å; D63-K66 PolarHBondContact O-N 3.17Å; Q64-K66 VanDerWaalsContact C-N 3.32Å; K66-L68 VanDerWaalsContact C-N 3.35Å; K66-M69 HydrophobicContact CB-CE 4.06Å; K66-M69 HydrophobicContact CG-CE 4.09Å; K66-M69 WeakPolarHBondContact O-CB 3.28Å; K66-M69 PolarHBondContact O-N 3.44Å; K66-L84 HydrophobicContact CG-CD1 4.33Å; K66-L84 HydrophobicContact CG-CD2 4.44Å; K66-L95 PolarHBondContact NZ-O 2.96Å
67E90.4Very high88.9Confident122 Ų12248.4 Ų48.457%0.5727%0.266SS*.Hα-helixtrans-61.2-41.9172.1-72.7176-176.400111.5D63 Q64 L65 M69 S70D63-E67 WeakPolarHBondContact O-CG 3.4Å; D63-E67 PolarHBondContact O-N 2.97Å; Q64-E67 WeakPolarHBondContact O-CB 3.31Å; Q64-E67 PolarHBondContact O-N 2.88Å; L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 3.05Å; E67-M69 PolarHBondContact O-N 2.86Å; E67-S70 PolarHBondContact O-N 3.32Å
68L89.8Confident88.9Confident12 Ų1244.1 Ų44.16%0.06325%0.246CC..Hα-helixtrans-64.1-20.9177.7-71.2179.7000114L30 R38 A42 Q64 L65 K66 S70 D71 V76 A80L30-L68 HydrophobicContact CD2-CD1 3.56Å; R38-L68 HydrophobicContact CB-CD2 4.49Å; A42-L68 HydrophobicContact CB-CD1 4.19Å; Q64-L68 WeakPolarHBondContact O-CG 3.18Å; Q64-L68 PolarHBondContact O-N 3.27Å; L65-L68 HydrophobicContact CD2-CD1 4.4Å; L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.1Å; K66-L68 VanDerWaalsContact C-N 3.35Å; L68-S70 PolarHBondContact O-N 3.11Å; L68-D71 VanDerWaalsContact O-CB 3.24Å; L68-D71 WeakPolarHBondContact O-CB 3.46Å; L68-D71 PolarHBondContact O-N 3.4Å; L68-D71 VanDerWaalsContact O-N 3.11Å; L68-V76 HydrophobicContact CB-CG1 4.28Å; L68-V76 HydrophobicContact CD1-CG1 4.47Å; L68-V76 HydrophobicContact CD2-CG1 3.84Å; L68-V76 HydrophobicContact CG-CG1 4.43Å; L68-A80 HydrophobicContact CB-CB 3.71Å
69M86.3Confident89Confident18 Ų1838.6 Ų38.69%0.08922%0.217CC..THydrogen-bonded Turntrans-65.8-15.2171.2-61.9-168.2-65.700113.2L65 K66 E67 A80 V81 L84 W96 T102L65-M69 PolarHBondContact O-N 3.34Å; K66-M69 HydrophobicContact CB-CE 4.06Å; K66-M69 HydrophobicContact CG-CE 4.09Å; K66-M69 WeakPolarHBondContact O-CB 3.28Å; K66-M69 PolarHBondContact O-N 3.44Å; E67-M69 PolarHBondContact O-N 2.86Å; M69-A80 HydrophobicContact CG-CB 4.47Å; M69-V81 HydrophobicContact CG-CG2 3.98Å; M69-V81 HydrophobicContact SD-CG2 4.02Å; M69-L84 HydrophobicContact CE-CD1 4.02Å; M69-L84 HydrophobicContact CG-CD1 3.79Å; M69-L84 HydrophobicContact SD-CD1 3.41Å; M69-L84 WeakPolarHBondContact SD-CD1 3.34Å; M69-W96 HydrophobicContact CE-CZ2 4.2Å; M69-W96 HydrophobicContact SD-CH2 4.4Å; M69-W96 HydrophobicContact SD-CZ2 3.81Å; M69-T102 HydrophobicContact SD-CG2 4.1Å
70S86.4Confident89.1Confident80 Ų8035.6 Ų35.656%0.55920%0.202SC*.THydrogen-bonded Turntrans-107.318.7174.9-57.10000112.5E67 L68 K105E67-S70 PolarHBondContact O-N 3.32Å; L68-S70 PolarHBondContact O-N 3.11Å; S70-K105 PolarHBondContact OG-NZ 3.38Å; S70-K105 VanDerWaalsContact OG-NZ 3.1Å
71D88.8Confident88.9Confident30 Ų3034.7 Ų34.716%0.1619%0.193CC..  trans-64.6148.1174.1-160.8-64.1000111.3R38 L68 N73 V76 V77R38-D71 IonicContact CZ-OD1 3.2Å; R38-D71 IonicContact CZ-OD2 2.87Å; R38-D71 IonicContact NE-OD2 2.59Å; R38-D71 PolarHBondContact NE-OD2 3.31Å; R38-D71 VanDerWaalsContact NH2-CG 3.34Å; R38-D71 IonicContact NH2-OD1 2.69Å; R38-D71 PolarHBondContact NH2-OD1 3.35Å; R38-D71 IonicContact NH2-OD2 3.18Å; R38-D71 PolarHBondContact NH2-OD2 3.3Å; L68-D71 VanDerWaalsContact O-CB 3.24Å; L68-D71 WeakPolarHBondContact O-CB 3.46Å; L68-D71 PolarHBondContact O-N 3.4Å; L68-D71 VanDerWaalsContact O-N 3.11Å; D71-N73 PolarHBondContact O-N 2.93Å; D71-N73 PolarHBondContact OD1-N 3.46Å; D71-V76 HydrophobicContact CB-CB 4.13Å; D71-V76 HydrophobicContact CB-CG1 3.96Å; D71-V77 HydrophobicContact CB-CG2 4.09Å; D71-V77 WeakPolarHBondContact O-CG2 3.41Å
72S87.8Confident88.7Confident115 Ų11535.5 Ų35.580%0.80420%0.2SC*.SBendtrans-63.9-23.3173.155.10000114.2
73N87.7Confident88.7Confident42 Ų4234.8 Ų34.823%0.22520%0.196CC..SBendtrans-98.7118.5-175.5-169.8-69000111.3P35 D71 M75 V76 V77P35-N73 HydrophobicContact CB-CB 4.07Å; P35-N73 HydrophobicContact CG-CB 4.32Å; D71-N73 PolarHBondContact O-N 2.93Å; D71-N73 PolarHBondContact OD1-N 3.46Å; N73-M75 PolarHBondContact O-N 3.13Å; N73-M75 VanDerWaalsContact OD1-CB 3.26Å; N73-M75 WeakPolarHBondContact OD1-CB 3.28Å; N73-M75 PolarHBondContact OD1-N 3.23Å; N73-V76 HydrophobicContact CB-CB 4.4Å; N73-V76 HydrophobicContact CB-CG2 3.99Å; N73-V76 PolarHBondContact O-N 3.03Å; N73-V77 PolarHBondContact O-N 3.04Å
74P85.8Confident88.6Confident23 Ų2330.3 Ų30.315%0.14917%0.173CC..Hα-helixtrans-55.8-35.3-179.3-27.134.2000114.1V76 V77 A78 A109 E112 C113P74-V76 VanDerWaalsContact C-N 3.31Å; P74-V76 PolarHBondContact O-N 2.7Å; P74-V77 PolarHBondContact O-N 3.44Å; P74-A78 WeakPolarHBondContact O-CB 3.5Å; P74-A78 PolarHBondContact O-N 3.47Å; P74-A109 HydrophobicContact CB-CB 4.03Å; P74-E112 HydrophobicContact CB-CB 4.15Å; P74-E112 HydrophobicContact CG-CB 3.73Å; P74-E112 WeakPolarHBondContact CG-OE2 3.42Å; P74-C113 VanDerWaalsContact C-SG 3.56Å; P74-C113 PolarHBondContact O-SG 3.19Å; P74-C113 VanDerWaalsContact O-SG 3.4Å
75M85.7Confident88.3Confident58 Ų5830.4 Ų30.429%0.28617%0.174SC..Hα-helixtrans-66.5-35.2-179.9-56.4-175.87800112.1N73 N79 T114N73-M75 PolarHBondContact O-N 3.13Å; N73-M75 VanDerWaalsContact OD1-CB 3.26Å; N73-M75 WeakPolarHBondContact OD1-CB 3.28Å; N73-M75 PolarHBondContact OD1-N 3.23Å; M75-N79 PolarHBondContact O-N 2.98Å; M75-N79 PolarHBondContact O-ND2 2.87Å; M75-T114 HydrophobicContact CE-CG2 3.97Å
76V90.2Very high88.1Confident0 Ų035.2 Ų35.20%020%0.197CC..Hα-helixtrans-69.9-44.7176.8179.20000109.4P35 R38 K39 L68 D71 N73 P74 A78 N79 A80P35-V76 HydrophobicContact CB-CG2 3.84Å; P35-V76 WeakPolarHBondContact O-CG2 3.32Å; R38-V76 HydrophobicContact CB-CG1 4.01Å; R38-V76 HydrophobicContact CB-CG2 4.07Å; K39-V76 HydrophobicContact CB-CG2 4.31Å; L68-V76 HydrophobicContact CB-CG1 4.28Å; L68-V76 HydrophobicContact CD1-CG1 4.47Å; L68-V76 HydrophobicContact CD2-CG1 3.84Å; L68-V76 HydrophobicContact CG-CG1 4.43Å; D71-V76 HydrophobicContact CB-CB 4.13Å; D71-V76 HydrophobicContact CB-CG1 3.96Å; N73-V76 HydrophobicContact CB-CB 4.4Å; N73-V76 HydrophobicContact CB-CG2 3.99Å; N73-V76 PolarHBondContact O-N 3.03Å; P74-V76 VanDerWaalsContact C-N 3.31Å; P74-V76 PolarHBondContact O-N 2.7Å; V76-A78 PolarHBondContact O-N 2.96Å; V76-N79 PolarHBondContact O-N 2.89Å; V76-A80 VanDerWaalsContact O-CB 3.32Å; V76-A80 WeakPolarHBondContact O-CB 3.24Å; V76-A80 PolarHBondContact O-N 3.41Å
77V89.6Confident88.1Confident10 Ų1032.1 Ų32.16%0.06118%0.183CC..Hα-helixtrans-57.9-47.91761780000111D71 N73 P74 N79 A80 V81 L106D71-V77 HydrophobicContact CB-CG2 4.09Å; D71-V77 WeakPolarHBondContact O-CG2 3.41Å; N73-V77 PolarHBondContact O-N 3.04Å; P74-V77 PolarHBondContact O-N 3.44Å; V77-N79 PolarHBondContact O-N 3.35Å; V77-A80 PolarHBondContact O-N 3.19Å; V77-V81 HydrophobicContact CG1-CG2 4.5Å; V77-V81 WeakPolarHBondContact O-CG2 2.97Å; V77-V81 PolarHBondContact O-N 3.21Å; V77-L106 HydrophobicContact CG1-CD2 4.28Å
78A87.6Confident87.9Confident0 Ų028 Ų280%017%0.165CC..Hα-helixtrans-58-45.9178.600000112.5P74 V76 A82 I121P74-A78 WeakPolarHBondContact O-CB 3.5Å; P74-A78 PolarHBondContact O-N 3.47Å; V76-A78 PolarHBondContact O-N 2.96Å; A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 3.31Å; A78-I121 HydrophobicContact CB-CD1 3.87Å; A78-I121 HydrophobicContact CB-CG1 3.83Å
79N89.3Confident87.6Confident23 Ų2333.4 Ų33.412%0.12319%0.19CC..Hα-helixtrans-71.9-33179-78.6-100.7000112.4K39 V43 M75 V76 V77 A83K39-N79 HydrophobicContact CB-CB 4.05Å; V43-N79 WeakPolarHBondContact CG2-OD1 3.12Å; M75-N79 PolarHBondContact O-N 2.98Å; M75-N79 PolarHBondContact O-ND2 2.87Å; V76-N79 PolarHBondContact O-N 2.89Å; V77-N79 PolarHBondContact O-N 3.35Å; N79-A83 VanDerWaalsContact O-CB 3.23Å; N79-A83 WeakPolarHBondContact O-CB 3.49Å; N79-A83 PolarHBondContact O-N 3.05Å
80A91.4Very high87.6Confident0 Ų035.9 Ų35.90%020%0.202CC..Hα-helixtrans-66.8-41.6175.800000111.5L68 M69 V76 V77 A83 L84L68-A80 HydrophobicContact CB-CB 3.71Å; M69-A80 HydrophobicContact CG-CB 4.47Å; V76-A80 VanDerWaalsContact O-CB 3.32Å; V76-A80 WeakPolarHBondContact O-CB 3.24Å; V76-A80 PolarHBondContact O-N 3.41Å; V77-A80 PolarHBondContact O-N 3.19Å; A80-A83 PolarHBondContact O-N 3.17Å; A80-L84 WeakPolarHBondContact O-CG 3.35Å; A80-L84 PolarHBondContact O-N 2.83Å
81V87.6Confident87.4Confident0 Ų032.7 Ų32.70%018%0.18CC..Hα-helixtrans-68.1-44.7175.7176.90000110.9M69 V77 A83 L84 T85 T102 L106 S124M69-V81 HydrophobicContact CG-CG2 3.98Å; M69-V81 HydrophobicContact SD-CG2 4.02Å; V77-V81 HydrophobicContact CG1-CG2 4.5Å; V77-V81 WeakPolarHBondContact O-CG2 2.97Å; V77-V81 PolarHBondContact O-N 3.21Å; V81-A83 VanDerWaalsContact C-N 3.27Å; V81-A83 PolarHBondContact O-N 3.22Å; V81-L84 PolarHBondContact O-N 3Å; V81-L84 VanDerWaalsContact O-N 3.12Å; V81-T85 PolarHBondContact O-N 2.88Å; V81-T85 PolarHBondContact O-OG1 3.4Å; V81-T85 VanDerWaalsContact O-OG1 3.13Å; V81-T102 HydrophobicContact CG2-CG2 4.47Å; V81-L106 HydrophobicContact CB-CD2 3.97Å; V81-L106 HydrophobicContact CG1-CD1 3.75Å; V81-L106 HydrophobicContact CG1-CD2 4.09Å; V81-L106 HydrophobicContact CG1-CG 4.5Å; V81-L106 HydrophobicContact CG2-CD1 4.27Å; V81-L106 HydrophobicContact CG2-CD2 3.58Å; V81-L106 HydrophobicContact CG2-CG 4.25Å; V81-S124 WeakPolarHBondContact CG1-OG 3.35Å
82A86.6Confident86.9Confident17 Ų1737.4 Ų37.414%0.1421%0.212CC..Hα-helixtrans-54.9-46.1174.100000111.5A78 L84 T85 E86 F120A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 3.31Å; A82-L84 PolarHBondContact O-N 3.44Å; A82-T85 PolarHBondContact O-N 3.4Å; A82-E86 WeakPolarHBondContact O-CB 3.45Å; A82-E86 PolarHBondContact O-N 3.17Å; A82-F120 HydrophobicContact CB-CB 3.97Å; A82-F120 HydrophobicContact CB-CD1 4.25Å; A82-F120 HydrophobicContact CB-CG 4.12Å
83A89.7Confident86.4Confident3 Ų339.5 Ų39.53%0.02521%0.207CC..Hα-helixtrans-60.8-42.5177.300000112.8V46 L65 N79 A80 V81 I87V46-A83 HydrophobicContact CG2-CB 3.23Å; L65-A83 HydrophobicContact CD1-CB 4.28Å; L65-A83 HydrophobicContact CD2-CB 4.17Å; N79-A83 VanDerWaalsContact O-CB 3.23Å; N79-A83 WeakPolarHBondContact O-CB 3.49Å; N79-A83 PolarHBondContact O-N 3.05Å; A80-A83 PolarHBondContact O-N 3.17Å; V81-A83 VanDerWaalsContact C-N 3.27Å; V81-A83 PolarHBondContact O-N 3.22Å; A83-I87 VanDerWaalsContact O-CB 3.3Å; A83-I87 WeakPolarHBondContact O-CB 3.35Å; A83-I87 WeakPolarHBondContact O-CD1 3.37Å; A83-I87 WeakPolarHBondContact O-CG1 3.32Å; A83-I87 PolarHBondContact O-N 3.25Å
84L89.4Confident85.8Confident4 Ų441.9 Ų41.92%0.02122%0.224CC..Hα-helixtrans-68.3-38.5176.9-74.2168.7000112.5L65 K66 M69 A80 V81 A82 N88 W96L65-L84 HydrophobicContact CB-CD1 4.41Å; L65-L84 HydrophobicContact CB-CD2 3.86Å; L65-L84 HydrophobicContact CB-CG 4.06Å; L65-L84 HydrophobicContact CD1-CD2 4.13Å; L65-L84 HydrophobicContact CD1-CG 4.45Å; K66-L84 HydrophobicContact CG-CD1 4.33Å; K66-L84 HydrophobicContact CG-CD2 4.44Å; M69-L84 HydrophobicContact CE-CD1 4.02Å; M69-L84 HydrophobicContact CG-CD1 3.79Å; M69-L84 HydrophobicContact SD-CD1 3.41Å; M69-L84 WeakPolarHBondContact SD-CD1 3.34Å; A80-L84 WeakPolarHBondContact O-CG 3.35Å; A80-L84 PolarHBondContact O-N 2.83Å; V81-L84 PolarHBondContact O-N 3Å; V81-L84 VanDerWaalsContact O-N 3.12Å; A82-L84 PolarHBondContact O-N 3.44Å; L84-N88 WeakPolarHBondContact O-CB 3.2Å; L84-N88 PolarHBondContact O-N 3.09Å; L84-W96 HydrophobicContact CB-CE3 4.25Å
85T84.8Confident85.2Confident15 Ų1543 Ų439%0.09223%0.229CC..Hα-helixtrans-62.6-49.4174.7-60.70000110.5V81 A82 I87 N88 E89 S124V81-T85 PolarHBondContact O-N 2.88Å; V81-T85 PolarHBondContact O-OG1 3.4Å; V81-T85 VanDerWaalsContact O-OG1 3.13Å; A82-T85 PolarHBondContact O-N 3.4Å; T85-I87 PolarHBondContact O-N 3.31Å; T85-N88 WeakPolarHBondContact O-CB 3.44Å; T85-N88 PolarHBondContact O-N 3.25Å; T85-E89 WeakPolarHBondContact O-CG 3.38Å; T85-E89 PolarHBondContact O-N 3.43Å; T85-S124 WeakPolarHBondContact OG1-CB 3.15Å; T85-S124 PolarHBondContact OG1-OG 3.12Å
86E86.5Confident84.6Confident101 Ų10141.6 Ų41.647%0.47222%0.221SC..Hα-helixtrans-64.1-40.9180-162.8174.9162.500111.7V46 A82 N88 E89 M90V46-E86 HydrophobicContact CG1-CB 4.08Å; V46-E86 VanDerWaalsContact CG1-CD 3.4Å; V46-E86 HydrophobicContact CG1-CG 3.82Å; A82-E86 WeakPolarHBondContact O-CB 3.45Å; A82-E86 PolarHBondContact O-N 3.17Å; E86-N88 VanDerWaalsContact C-N 3.35Å; E86-N88 PolarHBondContact O-N 3.26Å; E86-E89 PolarHBondContact O-N 2.9Å; E86-M90 HydrophobicContact CG-CE 4.19Å; E86-M90 WeakPolarHBondContact O-CE 3.4Å; E86-M90 WeakPolarHBondContact O-CG 3.26Å; E86-M90 PolarHBondContact O-N 3.02Å; E86-M90 VanDerWaalsContact O-N 3.09Å
87I88.5Confident83.8Confident1 Ų148.3 Ų48.31%0.00525%0.252CS..Hα-helixtrans-62.9-40.1174.1-72.7167.8000111.8V45 V46 Y49 L62 L65 A83 T85 E89 M90 S91 L95V45-I87 HydrophobicContact CG1-CD1 4.2Å; V46-I87 HydrophobicContact CG2-CD1 4.4Å; V46-I87 HydrophobicContact CG2-CG1 4.45Å; Y49-I87 HydrophobicContact CD1-CG1 4.27Å; Y49-I87 HydrophobicContact CD1-CG2 4.11Å; Y49-I87 HydrophobicContact CD2-CG1 4.49Å; Y49-I87 HydrophobicContact CD2-CG2 3.97Å; Y49-I87 HydrophobicContact CE1-CG2 4.03Å; Y49-I87 HydrophobicContact CE2-CG2 3.92Å; Y49-I87 HydrophobicContact CG-CG1 4.01Å; Y49-I87 HydrophobicContact CG-CG2 4.08Å; L62-I87 HydrophobicContact CD2-CD1 4.18Å; L62-I87 HydrophobicContact CD2-CG2 3.9Å; L65-I87 HydrophobicContact CD1-CD1 3.57Å; A83-I87 VanDerWaalsContact O-CB 3.3Å; A83-I87 WeakPolarHBondContact O-CB 3.35Å; A83-I87 WeakPolarHBondContact O-CD1 3.37Å; A83-I87 WeakPolarHBondContact O-CG1 3.32Å; A83-I87 PolarHBondContact O-N 3.25Å; T85-I87 PolarHBondContact O-N 3.31Å; I87-E89 VanDerWaalsContact C-N 3.31Å; I87-E89 PolarHBondContact O-N 3.19Å; I87-M90 HydrophobicContact CG1-CE 4.09Å; I87-M90 PolarHBondContact O-N 3.33Å; I87-S91 WeakPolarHBondContact O-CB 3.32Å; I87-S91 PolarHBondContact O-N 3.43Å; I87-L95 HydrophobicContact CG2-CD1 3.59Å
88N86.5Confident83.1Confident36 Ų3649 Ų4919%0.19326%0.255CS..Hα-helixtrans-64.2-34.3175.5-89.1-19.4000112.8L84 T85 E86 L95 W96L84-N88 WeakPolarHBondContact O-CB 3.2Å; L84-N88 PolarHBondContact O-N 3.09Å; T85-N88 WeakPolarHBondContact O-CB 3.44Å; T85-N88 PolarHBondContact O-N 3.25Å; E86-N88 VanDerWaalsContact C-N 3.35Å; E86-N88 PolarHBondContact O-N 3.26Å; N88-L95 PolarHBondContact OD1-N 3.21Å; N88-W96 PolarHBondContact ND2-O 3.3Å; N88-W96 PolarHBondContact OD1-N 2.86Å; N88-W96 VanDerWaalsContact OD1-N 3.13Å
89E83.9Confident82.6Confident125 Ų12551.6 Ų51.658%0.58427%0.269SS*.Hα-helixtrans-71.8-32.6176.2-70.9177.8-176.600112.3T85 E86 I87 N127T85-E89 WeakPolarHBondContact O-CG 3.38Å; T85-E89 PolarHBondContact O-N 3.43Å; E86-E89 PolarHBondContact O-N 2.9Å; I87-E89 VanDerWaalsContact C-N 3.31Å; I87-E89 PolarHBondContact O-N 3.19Å; E89-N127 PolarHBondContact OE1-ND2 2.8Å
90M84.8Confident82.1Confident70 Ų7052.1 Ų52.135%0.34527%0.274SS..Hα-helixtrans-78.4-29.1175.5-68.8-174.9-74.100113V46 Y49 D50 E86 I87V46-M90 HydrophobicContact CG1-CE 3.67Å; Y49-M90 HydrophobicContact CD1-CB 4.09Å; Y49-M90 HydrophobicContact CD1-CE 3.87Å; Y49-M90 HydrophobicContact CD1-SD 4.4Å; Y49-M90 HydrophobicContact CE1-CB 3.94Å; D50-M90 HydrophobicContact CB-SD 4.17Å; E86-M90 HydrophobicContact CG-CE 4.19Å; E86-M90 WeakPolarHBondContact O-CE 3.4Å; E86-M90 WeakPolarHBondContact O-CG 3.26Å; E86-M90 PolarHBondContact O-N 3.02Å; E86-M90 VanDerWaalsContact O-N 3.09Å; I87-M90 HydrophobicContact CG1-CE 4.09Å; I87-M90 PolarHBondContact O-N 3.33Å
91S83.1Confident81.7Confident13 Ų1359 Ų599%0.09131%0.306CS..SBendtrans-79.2139.8-177.4-165.70000111.7Y49 I87 K93Y49-S91 VanDerWaalsContact OH-CB 3.32Å; Y49-S91 WeakPolarHBondContact OH-CB 3.2Å; Y49-S91 PolarHBondContact OH-OG 2.98Å; Y49-S91 VanDerWaalsContact OH-OG 3.13Å; I87-S91 WeakPolarHBondContact O-CB 3.32Å; I87-S91 PolarHBondContact O-N 3.43Å; S91-K93 VanDerWaalsContact CB-O 3.32Å; S91-K93 WeakPolarHBondContact CB-O 3.33Å; S91-K93 PolarHBondContact O-N 2.95Å; S91-K93 VanDerWaalsContact O-N 3.13Å; S91-K93 PolarHBondContact OG-O 3.5Å; S91-K93 VanDerWaalsContact OG-O 3.12Å
92P77.4Confident81.4Confident129 Ų12959.6 Ų59.684%0.83831%0.31SS*.SBendtrans-66.8-11.7174.927.2-35.4000113.6
93K78.8Confident81.1Confident159 Ų15958.9 Ų58.969%0.69130%0.304SS*.SBendtrans-134.6144.7178.1-67.4178.8-178.41730109.4S91 L95S91-K93 VanDerWaalsContact CB-O 3.32Å; S91-K93 WeakPolarHBondContact CB-O 3.33Å; S91-K93 PolarHBondContact O-N 2.95Å; S91-K93 VanDerWaalsContact O-N 3.13Å; S91-K93 PolarHBondContact OG-O 3.5Å; S91-K93 VanDerWaalsContact OG-O 3.12Å; K93-L95 PolarHBondContact O-N 3.34Å
94P74.3Confident80.8Confident92 Ų9262.3 Ų62.360%0.59732%0.322SS*.  trans-62.2112.417326.2-32.7000109.5W96P94-W96 VanDerWaalsContact C-N 3.29Å
95L72.7Confident80.4Confident47 Ų4766.8 Ų66.825%0.24634%0.341CS..SBendtrans-79.4-18.4177.3-67.1172.2000111.9Y49 L62 K66 I87 N88 K93Y49-L95 HydrophobicContact CE2-CD1 3.99Å; Y49-L95 WeakPolarHBondContact OH-CD1 3.32Å; L62-L95 HydrophobicContact CD1-CB 4.37Å; L62-L95 HydrophobicContact CD1-CD1 3.8Å; L62-L95 HydrophobicContact CD1-CD2 4.24Å; L62-L95 HydrophobicContact CD1-CG 4.37Å; L62-L95 HydrophobicContact CD2-CD1 4.37Å; K66-L95 PolarHBondContact NZ-O 2.96Å; I87-L95 HydrophobicContact CG2-CD1 3.59Å; N88-L95 PolarHBondContact OD1-N 3.21Å; K93-L95 PolarHBondContact O-N 3.34Å
96W74.1Confident80.3Confident29 Ų2966.1 Ų66.111%0.1134%0.337CS..  trans-151.5140.7176.9171.975.4000110.5M69 L84 N88 P94 M98 T102M69-W96 HydrophobicContact CE-CZ2 4.2Å; M69-W96 HydrophobicContact SD-CH2 4.4Å; M69-W96 HydrophobicContact SD-CZ2 3.81Å; L84-W96 HydrophobicContact CB-CE3 4.25Å; N88-W96 PolarHBondContact ND2-O 3.3Å; N88-W96 PolarHBondContact OD1-N 2.86Å; N88-W96 VanDerWaalsContact OD1-N 3.13Å; P94-W96 VanDerWaalsContact C-N 3.29Å; W96-M98 VanDerWaalsContact CH2-CA 3.45Å; W96-M98 HydrophobicContact CH2-CB 3.34Å; W96-M98 HydrophobicContact CH2-CG 3.51Å; W96-M98 HydrophobicContact CH2-SD 3.77Å; W96-M98 VanDerWaalsContact CZ2-CA 3.46Å; W96-M98 HydrophobicContact CZ2-CB 3.9Å; W96-M98 HydrophobicContact CZ2-CG 4.03Å; W96-M98 HydrophobicContact CZ3-CB 3.75Å; W96-M98 HydrophobicContact CZ3-CG 4.33Å; W96-M98 HydrophobicContact CZ3-SD 4.46Å; W96-T102 HydrophobicContact CH2-CG2 4.09Å; W96-T102 HydrophobicContact CZ2-CG2 3.82Å
97E73.4Confident80.1Confident141 Ų14162.6 Ų62.666%0.65932%0.321SS*.  trans-108.5131.9170.5-71.9-178-177.100109.7N99E97-N99 PolarHBondContact O-N 3.46Å
98M74.5Confident79.9Confident25 Ų2566.6 Ų66.612%0.12335%0.346CS..  trans-67.5129.6172.4-169.115163.600110W96 T102 V103 L106 S124 L125 Y128W96-M98 VanDerWaalsContact CH2-CA 3.45Å; W96-M98 HydrophobicContact CH2-CB 3.34Å; W96-M98 HydrophobicContact CH2-CG 3.51Å; W96-M98 HydrophobicContact CH2-SD 3.77Å; W96-M98 VanDerWaalsContact CZ2-CA 3.46Å; W96-M98 HydrophobicContact CZ2-CB 3.9Å; W96-M98 HydrophobicContact CZ2-CG 4.03Å; W96-M98 HydrophobicContact CZ3-CB 3.75Å; W96-M98 HydrophobicContact CZ3-CG 4.33Å; W96-M98 HydrophobicContact CZ3-SD 4.46Å; M98-T102 HydrophobicContact CG-CG2 4.41Å; M98-T102 HydrophobicContact SD-CG2 4.46Å; M98-V103 HydrophobicContact CE-CG2 4.02Å; M98-V103 HydrophobicContact CG-CG2 3.75Å; M98-V103 HydrophobicContact SD-CG2 3.95Å; M98-L106 HydrophobicContact SD-CD1 3.63Å; M98-S124 WeakPolarHBondContact CE-O 3.45Å; M98-L125 HydrophobicContact CE-CD2 4.05Å; M98-Y128 HydrophobicContact CB-CD2 3.82Å; M98-Y128 HydrophobicContact CB-CE2 4.13Å; M98-Y128 HydrophobicContact CE-CD1 4.35Å; M98-Y128 HydrophobicContact CE-CD2 3.49Å; M98-Y128 VanDerWaalsContact CE-CD2 3.49Å; M98-Y128 HydrophobicContact CE-CE2 4.46Å; M98-Y128 HydrophobicContact CE-CG 3.42Å; M98-Y128 VanDerWaalsContact CE-CG 3.42Å; M98-Y128 HydrophobicContact CG-CD2 4.02Å; M98-Y128 HydrophobicContact CG-CE2 4.23Å; M98-Y128 WeakPolarHBondContact O-CE2 3.4Å
99N78.3Confident79.8Confident54 Ų5465.2 Ų65.229%0.28934%0.339SS..  trans-109.7160.2176.766.844.4000110.1E97 Q101 T102 V103E97-N99 PolarHBondContact O-N 3.46Å; N99-Q101 PolarHBondContact O-N 3.43Å; N99-Q101 WeakPolarHBondContact OD1-CA 3.39Å; N99-Q101 VanDerWaalsContact OD1-CB 3.3Å; N99-Q101 WeakPolarHBondContact OD1-CB 3.31Å; N99-Q101 PolarHBondContact OD1-N 3.22Å; N99-T102 PolarHBondContact O-N 2.88Å; N99-T102 PolarHBondContact OD1-N 3.3Å; N99-T102 PolarHBondContact OD1-OG1 3.38Å; N99-V103 PolarHBondContact O-N 2.96Å
100S78.4Confident79.7Confident34 Ų3459.3 Ų59.324%0.23831%0.312CS..Hα-helixtrans-57.1-25.9179.4-54.90000113.4N104 Y128 E135S100-N104 PolarHBondContact O-N 3Å; S100-N104 PolarHBondContact O-ND2 3.1Å; S100-Y128 PolarHBondContact OG-OH 3.21Å; S100-E135 WeakPolarHBondContact CA-OE1 3.32Å; S100-E135 WeakPolarHBondContact CB-OE1 3.36Å; S100-E135 PolarHBondContact OG-OE1 3.22Å
101Q81.5Confident79.5Confident145 Ų14561.9 Ų61.968%0.67833%0.327SS*.Hα-helixtrans-70.4-43.4175.9-60.1177.4-12.700111.2N99 N104 K105N99-Q101 PolarHBondContact O-N 3.43Å; N99-Q101 WeakPolarHBondContact OD1-CA 3.39Å; N99-Q101 VanDerWaalsContact OD1-CB 3.3Å; N99-Q101 WeakPolarHBondContact OD1-CB 3.31Å; N99-Q101 PolarHBondContact OD1-N 3.22Å; Q101-N104 PolarHBondContact O-N 3.46Å; Q101-K105 WeakPolarHBondContact O-CG 3.42Å; Q101-K105 PolarHBondContact O-N 3.24Å
102T81.4Confident79.5Confident12 Ų1267.8 Ų67.87%0.07435%0.353CS..Hα-helixtrans-64-42174.2-55.50000110.5M69 V81 W96 M98 N99 N104 K105 L106M69-T102 HydrophobicContact SD-CG2 4.1Å; V81-T102 HydrophobicContact CG2-CG2 4.47Å; W96-T102 HydrophobicContact CH2-CG2 4.09Å; W96-T102 HydrophobicContact CZ2-CG2 3.82Å; M98-T102 HydrophobicContact CG-CG2 4.41Å; M98-T102 HydrophobicContact SD-CG2 4.46Å; N99-T102 PolarHBondContact O-N 2.88Å; N99-T102 PolarHBondContact OD1-N 3.3Å; N99-T102 PolarHBondContact OD1-OG1 3.38Å; T102-N104 PolarHBondContact O-N 3.4Å; T102-K105 WeakPolarHBondContact O-CB 3.44Å; T102-K105 PolarHBondContact O-N 3.02Å; T102-K105 VanDerWaalsContact O-N 3.17Å; T102-L106 HydrophobicContact CG2-CD1 4.07Å; T102-L106 HydrophobicContact CG2-CG 4.22Å; T102-L106 WeakPolarHBondContact O-CB 3.5Å; T102-L106 VanDerWaalsContact O-CG 3.3Å; T102-L106 WeakPolarHBondContact O-CG 3.42Å; T102-L106 PolarHBondContact O-N 3.42Å
103V81.8Confident79.6Confident1 Ų162.2 Ų62.21%0.00632%0.317CS..Hα-helixtrans-57.4-48.3175175.20000111M98 N99 K105 L106 L107 L125 Y128M98-V103 HydrophobicContact CE-CG2 4.02Å; M98-V103 HydrophobicContact CG-CG2 3.75Å; M98-V103 HydrophobicContact SD-CG2 3.95Å; N99-V103 PolarHBondContact O-N 2.96Å; V103-K105 VanDerWaalsContact C-N 3.32Å; V103-K105 PolarHBondContact O-N 3.45Å; V103-L106 WeakPolarHBondContact O-CB 3.49Å; V103-L106 PolarHBondContact O-N 2.91Å; V103-L106 VanDerWaalsContact O-N 3.16Å; V103-L107 HydrophobicContact CG1-CD1 4.09Å; V103-L107 HydrophobicContact CG1-CG 4.28Å; V103-L107 VanDerWaalsContact O-CG 3.3Å; V103-L107 WeakPolarHBondContact O-CG 3.45Å; V103-L107 PolarHBondContact O-N 2.93Å; V103-L125 HydrophobicContact CB-CD2 4.45Å; V103-L125 HydrophobicContact CG1-CD2 3.88Å; V103-L125 HydrophobicContact CG2-CD2 4.19Å; V103-Y128 HydrophobicContact CG2-CD1 3.9Å; V103-Y128 HydrophobicContact CG2-CD2 4.31Å; V103-Y128 HydrophobicContact CG2-CE1 3.67Å; V103-Y128 HydrophobicContact CG2-CE2 4.11Å; V103-Y128 HydrophobicContact CG2-CG 4.22Å
104N82.7Confident79.7Confident76 Ų7657.9 Ų57.941%0.40630%0.304SS..Hα-helixtrans-62.5-38.3177.9-74-56.6000112.7S100 Q101 T102 T108S100-N104 PolarHBondContact O-N 3Å; S100-N104 PolarHBondContact O-ND2 3.1Å; Q101-N104 PolarHBondContact O-N 3.46Å; T102-N104 PolarHBondContact O-N 3.4Å; N104-T108 PolarHBondContact O-N 3.46Å; N104-T108 VanDerWaalsContact O-N 3.08Å; N104-T108 PolarHBondContact O-OG1 3.05Å
105K81.9Confident79.7Confident98 Ų9859.3 Ų59.343%0.42630%0.303SS..Hα-helixtrans-63-43.3173.4-73.2178.6177.7-177.30111.6S70 Q101 T102 V103 T108 A109S70-K105 PolarHBondContact OG-NZ 3.38Å; S70-K105 VanDerWaalsContact OG-NZ 3.1Å; Q101-K105 WeakPolarHBondContact O-CG 3.42Å; Q101-K105 PolarHBondContact O-N 3.24Å; T102-K105 WeakPolarHBondContact O-CB 3.44Å; T102-K105 PolarHBondContact O-N 3.02Å; T102-K105 VanDerWaalsContact O-N 3.17Å; V103-K105 VanDerWaalsContact C-N 3.32Å; V103-K105 PolarHBondContact O-N 3.45Å; K105-T108 WeakPolarHBondContact O-CB 3.24Å; K105-T108 PolarHBondContact O-N 3.12Å; K105-A109 WeakPolarHBondContact O-CB 3.5Å; K105-A109 PolarHBondContact O-N 3.42Å
106L82.3Confident80Confident1 Ų166.1 Ų66.11%0.00533%0.325CS..Hα-helixtrans-63.9-44.5177.9-76.6175.9000112V77 V81 M98 T102 V103 T108 A109 L110 I121 L125V77-L106 HydrophobicContact CG1-CD2 4.28Å; V81-L106 HydrophobicContact CB-CD2 3.97Å; V81-L106 HydrophobicContact CG1-CD1 3.75Å; V81-L106 HydrophobicContact CG1-CD2 4.09Å; V81-L106 HydrophobicContact CG1-CG 4.5Å; V81-L106 HydrophobicContact CG2-CD1 4.27Å; V81-L106 HydrophobicContact CG2-CD2 3.58Å; V81-L106 HydrophobicContact CG2-CG 4.25Å; M98-L106 HydrophobicContact SD-CD1 3.63Å; T102-L106 HydrophobicContact CG2-CD1 4.07Å; T102-L106 HydrophobicContact CG2-CG 4.22Å; T102-L106 WeakPolarHBondContact O-CB 3.5Å; T102-L106 VanDerWaalsContact O-CG 3.3Å; T102-L106 WeakPolarHBondContact O-CG 3.42Å; T102-L106 PolarHBondContact O-N 3.42Å; V103-L106 WeakPolarHBondContact O-CB 3.49Å; V103-L106 PolarHBondContact O-N 2.91Å; V103-L106 VanDerWaalsContact O-N 3.16Å; L106-T108 PolarHBondContact O-N 3.33Å; L106-A109 CarbonylContact O-C 3.58Å; L106-A109 PolarHBondContact O-N 3.44Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 PolarHBondContact O-N 2.93Å; L106-I121 HydrophobicContact CB-CG2 3.85Å; L106-I121 HydrophobicContact CD2-CD1 4.3Å; L106-I121 HydrophobicContact CD2-CG1 3.92Å; L106-I121 HydrophobicContact CD2-CG2 4.15Å; L106-I121 HydrophobicContact CG-CG2 4.42Å; L106-L125 HydrophobicContact CD1-CD2 4.45Å
107L82.5Confident80.1Confident26 Ų2665 Ų6514%0.13632%0.322CS..Hα-helixtrans-60.9-33.9174.7-68.8178.8000112.1V103 N111 L125 V142V103-L107 HydrophobicContact CG1-CD1 4.09Å; V103-L107 HydrophobicContact CG1-CG 4.28Å; V103-L107 VanDerWaalsContact O-CG 3.3Å; V103-L107 WeakPolarHBondContact O-CG 3.45Å; V103-L107 PolarHBondContact O-N 2.93Å; L107-N111 PolarHBondContact O-ND2 3.18Å; L107-L125 HydrophobicContact CD2-CD1 3.95Å; L107-V142 HydrophobicContact CD2-CB 4.18Å; L107-V142 HydrophobicContact CD2-CG1 3.87Å; L107-V142 HydrophobicContact CD2-CG2 4.01Å
108T84.1Confident80.4Confident86 Ų8659 Ų5953%0.52829%0.294SS..Hα-helixtrans-70.3-48.3173.9-520000110.8N104 K105 L106 L110 N111N104-T108 PolarHBondContact O-N 3.46Å; N104-T108 VanDerWaalsContact O-N 3.08Å; N104-T108 PolarHBondContact O-OG1 3.05Å; K105-T108 WeakPolarHBondContact O-CB 3.24Å; K105-T108 PolarHBondContact O-N 3.12Å; L106-T108 PolarHBondContact O-N 3.33Å; T108-L110 PolarHBondContact O-N 3.23Å; T108-N111 PolarHBondContact O-N 2.87Å
109A83.6Confident80.6Confident7 Ų759 Ų596%0.05830%0.295CS..Hα-helixtrans-61.7-30.9177.600000112.6P74 K105 L106 N111 E112 C113 I121P74-A109 HydrophobicContact CB-CB 4.03Å; K105-A109 WeakPolarHBondContact O-CB 3.5Å; K105-A109 PolarHBondContact O-N 3.42Å; L106-A109 CarbonylContact O-C 3.58Å; L106-A109 PolarHBondContact O-N 3.44Å; A109-N111 PolarHBondContact O-N 3.3Å; A109-E112 CarbonylContact O-C 3.6Å; A109-E112 PolarHBondContact O-N 2.89Å; A109-C113 VanDerWaalsContact O-CB 3.32Å; A109-C113 WeakPolarHBondContact O-CB 3.36Å; A109-C113 PolarHBondContact O-N 2.96Å; A109-C113 PolarHBondContact O-SG 2.91Å; A109-I121 HydrophobicContact CB-CD1 4.06Å
110L82.3Confident80.6Confident1 Ų160.2 Ų60.21%0.00530%0.298CS..Hα-helixtrans-58.2-36.8178.3-169.770.7000112.1L106 T108 E112 Q118 I121 L122 V142 F146L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 PolarHBondContact O-N 2.93Å; T108-L110 PolarHBondContact O-N 3.23Å; L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 PolarHBondContact O-N 3.47Å; L110-Q118 HydrophobicContact CD1-CB 3.62Å; L110-Q118 HydrophobicContact CD1-CG 3.75Å; L110-Q118 HydrophobicContact CG-CG 4.35Å; L110-Q118 WeakPolarHBondContact O-CG 3.46Å; L110-Q118 PolarHBondContact O-NE2 3.41Å; L110-I121 HydrophobicContact CB-CD1 4.43Å; L110-I121 HydrophobicContact CB-CG2 4.49Å; L110-I121 HydrophobicContact CD1-CB 3.93Å; L110-I121 HydrophobicContact CD1-CD1 4.35Å; L110-I121 HydrophobicContact CD1-CG2 3.93Å; L110-L122 HydrophobicContact CD1-CD2 4.43Å; L110-L122 HydrophobicContact CD1-CG 4.13Å; L110-L122 HydrophobicContact CD2-CD2 4.21Å; L110-V142 HydrophobicContact CD2-CG1 3.27Å; L110-F146 HydrophobicContact CD1-CE2 4.45Å; L110-F146 HydrophobicContact CD1-CZ 4.47Å; L110-F146 HydrophobicContact CD2-CD2 3.78Å; L110-F146 HydrophobicContact CD2-CE2 3.29Å; L110-F146 HydrophobicContact CD2-CZ 3.96Å; L110-F146 HydrophobicContact CG-CD2 4.37Å; L110-F146 HydrophobicContact CG-CE2 3.63Å; L110-F146 HydrophobicContact CG-CZ 3.75Å
111N80.7Confident80.8Confident124 Ų12458.6 Ų58.666%0.66329%0.287SS*.THydrogen-bonded Turntrans-73.4-20.1177.9-63.9-47.7000113.5L107 T108 A109L107-N111 PolarHBondContact O-ND2 3.18Å; T108-N111 PolarHBondContact O-N 2.87Å; A109-N111 PolarHBondContact O-N 3.3Å
112E83.7Confident80.6Confident136 Ų13651.8 Ų51.864%0.63626%0.255SS*.THydrogen-bonded Turntrans-109.5-10.5-175.1-62.2-176.2179.200113.2P74 A109 L110P74-E112 HydrophobicContact CB-CB 4.15Å; P74-E112 HydrophobicContact CG-CB 3.73Å; P74-E112 WeakPolarHBondContact CG-OE2 3.42Å; A109-E112 CarbonylContact O-C 3.6Å; A109-E112 PolarHBondContact O-N 2.89Å; L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 PolarHBondContact O-N 3.47Å
113C78.2Confident80.4Confident12 Ų1254.2 Ų54.28%0.08127%0.268CS..SBendtrans-80.5155.1-180-85.40000112.5P74 A109 Q118P74-C113 VanDerWaalsContact C-SG 3.56Å; P74-C113 PolarHBondContact O-SG 3.19Å; P74-C113 VanDerWaalsContact O-SG 3.4Å; A109-C113 VanDerWaalsContact O-CB 3.32Å; A109-C113 WeakPolarHBondContact O-CB 3.36Å; A109-C113 PolarHBondContact O-N 2.96Å; A109-C113 PolarHBondContact O-SG 2.91Å; C113-Q118 HydrophobicContact CB-CG 4.11Å; C113-Q118 PolarHBondContact O-NE2 3.46Å
114T81.7Confident80.2Confident69 Ų6954.3 Ų54.342%0.42327%0.269SS..  trans-66.1159.9165.457.90000110.9M75 W116 G117 Q118M75-T114 HydrophobicContact CE-CG2 3.97Å; T114-W116 VanDerWaalsContact C-N 3.28Å; T114-W116 PolarHBondContact O-N 2.86Å; T114-W116 VanDerWaalsContact O-N 3.1Å; T114-G117 WeakPolarHBondContact O-CA 3.22Å; T114-G117 PolarHBondContact O-N 3.04Å; T114-Q118 PolarHBondContact O-N 3.18Å
115E74.3Confident80Confident122 Ų12250.9 Ų50.957%0.5725%0.25SS*.Hα-helixtrans-41.2-51.1175.8-59.5166.8140.700112.7G117 Q118 V119E115-G117 VanDerWaalsContact C-N 3.35Å; E115-G117 PolarHBondContact O-N 3.46Å; E115-Q118 WeakPolarHBondContact O-CB 3.46Å; E115-Q118 PolarHBondContact O-N 3.15Å; E115-Q118 VanDerWaalsContact O-N 3.11Å; E115-V119 WeakPolarHBondContact O-CG2 3.23Å; E115-V119 PolarHBondContact O-N 3.2Å
116W77.8Confident79.6Confident190 Ų19046.9 Ų46.972%0.7224%0.236SC*.Hα-helixtrans-62.3-37.2178.2-64.1102.3000114.3T114 Q118 V119 F120T114-W116 VanDerWaalsContact C-N 3.28Å; T114-W116 PolarHBondContact O-N 2.86Å; T114-W116 VanDerWaalsContact O-N 3.1Å; W116-Q118 VanDerWaalsContact C-N 3.31Å; W116-V119 PolarHBondContact O-N 2.72Å; W116-F120 WeakPolarHBondContact O-CD2 3.44Å; W116-F120 WeakPolarHBondContact O-CG 3.38Å; W116-F120 PolarHBondContact O-N 3.41Å
117G77.8Confident79.1Confident4 Ų451.3 Ų51.34%0.04126%0.259CS..Hα-helixtrans-68.6-34.7175.900000111.4T114 E115 F120 I121T114-G117 WeakPolarHBondContact O-CA 3.22Å; T114-G117 PolarHBondContact O-N 3.04Å; E115-G117 VanDerWaalsContact C-N 3.35Å; E115-G117 PolarHBondContact O-N 3.46Å; G117-F120 PolarHBondContact O-N 3.35Å; G117-I121 VanDerWaalsContact O-CG1 3.3Å; G117-I121 WeakPolarHBondContact O-CG1 3.41Å; G117-I121 PolarHBondContact O-N 2.98Å; G117-I121 VanDerWaalsContact O-N 3.1Å
118Q79.6Confident78.7Confident15 Ų1550.8 Ų50.87%0.0726%0.256CS..Hα-helixtrans-66.5-43.1174.7-64.8171.8-1700111.7L110 C113 T114 E115 W116 F120 I121 L122 F146 E150L110-Q118 HydrophobicContact CD1-CB 3.62Å; L110-Q118 HydrophobicContact CD1-CG 3.75Å; L110-Q118 HydrophobicContact CG-CG 4.35Å; L110-Q118 WeakPolarHBondContact O-CG 3.46Å; L110-Q118 PolarHBondContact O-NE2 3.41Å; C113-Q118 HydrophobicContact CB-CG 4.11Å; C113-Q118 PolarHBondContact O-NE2 3.46Å; T114-Q118 PolarHBondContact O-N 3.18Å; E115-Q118 WeakPolarHBondContact O-CB 3.46Å; E115-Q118 PolarHBondContact O-N 3.15Å; E115-Q118 VanDerWaalsContact O-N 3.11Å; W116-Q118 VanDerWaalsContact C-N 3.31Å; Q118-F120 VanDerWaalsContact C-N 3.32Å; Q118-F120 PolarHBondContact O-N 3.35Å; Q118-I121 PolarHBondContact O-N 3.32Å; Q118-L122 WeakPolarHBondContact O-CB 3.3Å; Q118-L122 VanDerWaalsContact O-CG 3.24Å; Q118-L122 WeakPolarHBondContact O-CG 3.46Å; Q118-L122 PolarHBondContact O-N 2.87Å; Q118-F146 VanDerWaalsContact CD-CE1 3.42Å; Q118-F146 HydrophobicContact CG-CE1 4.28Å; Q118-E150 PolarHBondContact OE1-OE2 3.25Å
119V78.1Confident78.1Confident25 Ų2551.3 Ų51.315%0.15226%0.259CS..Hα-helixtrans-54.7-49174.1178.30000111.2E115 W116 I121 L122 D123 I152 V155E115-V119 WeakPolarHBondContact O-CG2 3.23Å; E115-V119 PolarHBondContact O-N 3.2Å; W116-V119 PolarHBondContact O-N 2.72Å; V119-I121 PolarHBondContact O-N 3.22Å; V119-L122 PolarHBondContact O-N 3.43Å; V119-D123 WeakPolarHBondContact O-CB 3.38Å; V119-D123 PolarHBondContact O-N 2.59Å; V119-I152 HydrophobicContact CG2-CD1 4.02Å; V119-I152 HydrophobicContact CG2-CG2 3.65Å; V119-V155 HydrophobicContact CG1-CG2 4.18Å; V119-V155 HydrophobicContact CG2-CG2 4.23Å
120F79.3Confident77.6Confident80 Ų8051.9 Ų51.935%0.35126%0.262SS..Hα-helixtrans-61.5-42.1179.3-68.9-43000113.2A82 W116 G117 Q118 D123 S124A82-F120 HydrophobicContact CB-CB 3.97Å; A82-F120 HydrophobicContact CB-CD1 4.25Å; A82-F120 HydrophobicContact CB-CG 4.12Å; W116-F120 WeakPolarHBondContact O-CD2 3.44Å; W116-F120 WeakPolarHBondContact O-CG 3.38Å; W116-F120 PolarHBondContact O-N 3.41Å; G117-F120 PolarHBondContact O-N 3.35Å; Q118-F120 VanDerWaalsContact C-N 3.32Å; Q118-F120 PolarHBondContact O-N 3.35Å; F120-D123 PolarHBondContact O-N 3.49Å; F120-S124 PolarHBondContact O-N 3.39Å; F120-S124 PolarHBondContact O-OG 3.41Å
121I81.7Confident77.1Confident0 Ų060.2 Ų60.20%029%0.293CS..Hα-helixtrans-65-45.2177.4-67.7171.7000110.6A78 L106 A109 L110 G117 Q118 V119 D123 S124 L125A78-I121 HydrophobicContact CB-CD1 3.87Å; A78-I121 HydrophobicContact CB-CG1 3.83Å; L106-I121 HydrophobicContact CB-CG2 3.85Å; L106-I121 HydrophobicContact CD2-CD1 4.3Å; L106-I121 HydrophobicContact CD2-CG1 3.92Å; L106-I121 HydrophobicContact CD2-CG2 4.15Å; L106-I121 HydrophobicContact CG-CG2 4.42Å; A109-I121 HydrophobicContact CB-CD1 4.06Å; L110-I121 HydrophobicContact CB-CD1 4.43Å; L110-I121 HydrophobicContact CB-CG2 4.49Å; L110-I121 HydrophobicContact CD1-CB 3.93Å; L110-I121 HydrophobicContact CD1-CD1 4.35Å; L110-I121 HydrophobicContact CD1-CG2 3.93Å; G117-I121 VanDerWaalsContact O-CG1 3.3Å; G117-I121 WeakPolarHBondContact O-CG1 3.41Å; G117-I121 PolarHBondContact O-N 2.98Å; G117-I121 VanDerWaalsContact O-N 3.1Å; Q118-I121 PolarHBondContact O-N 3.32Å; V119-I121 PolarHBondContact O-N 3.22Å; I121-D123 VanDerWaalsContact C-N 3.28Å; I121-D123 PolarHBondContact O-N 3.09Å; I121-S124 PolarHBondContact O-N 3.22Å; I121-L125 HydrophobicContact CG2-CD1 3.92Å; I121-L125 HydrophobicContact CG2-CG 4.32Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 2.95Å
122L78.1Confident76.9Confident2 Ų258.5 Ų58.51%0.0128%0.284CS..Hα-helixtrans-62.4-38179.5-70.3170.3000111.5L110 Q118 V119 L125 A126 I143 F146 V155L110-L122 HydrophobicContact CD1-CD2 4.43Å; L110-L122 HydrophobicContact CD1-CG 4.13Å; L110-L122 HydrophobicContact CD2-CD2 4.21Å; Q118-L122 WeakPolarHBondContact O-CB 3.3Å; Q118-L122 VanDerWaalsContact O-CG 3.24Å; Q118-L122 WeakPolarHBondContact O-CG 3.46Å; Q118-L122 PolarHBondContact O-N 2.87Å; V119-L122 PolarHBondContact O-N 3.43Å; L122-L125 PolarHBondContact O-N 3.47Å; L122-A126 PolarHBondContact O-N 2.98Å; L122-I143 HydrophobicContact CD2-CG1 3.91Å; L122-F146 HydrophobicContact CD1-CB 3.95Å; L122-F146 HydrophobicContact CD1-CG 4.23Å; L122-V155 HydrophobicContact CD1-CG1 4.49Å
123D76.6Confident76.6Confident63 Ų6357.6 Ų57.634%0.33728%0.28SS..Hα-helixtrans-66.2-45.3176.5-157.833.7000111.6V119 F120 I121 L125 A126 N127 N158V119-D123 WeakPolarHBondContact O-CB 3.38Å; V119-D123 PolarHBondContact O-N 2.59Å; F120-D123 PolarHBondContact O-N 3.49Å; I121-D123 VanDerWaalsContact C-N 3.28Å; I121-D123 PolarHBondContact O-N 3.09Å; D123-L125 VanDerWaalsContact C-N 3.28Å; D123-L125 PolarHBondContact O-N 2.66Å; D123-A126 WeakPolarHBondContact O-CB 3.41Å; D123-A126 PolarHBondContact O-N 3.1Å; D123-N127 PolarHBondContact O-N 2.99Å; D123-N158 PolarHBondContact OD1-ND2 3.2Å
124S77.9Confident76.6Confident4 Ų466.1 Ų66.13%0.02831%0.31CS..Hα-helixtrans-60.7-35.8172.3-65.90000113V81 T85 M98 F120 I121 N127V81-S124 WeakPolarHBondContact CG1-OG 3.35Å; T85-S124 WeakPolarHBondContact OG1-CB 3.15Å; T85-S124 PolarHBondContact OG1-OG 3.12Å; M98-S124 WeakPolarHBondContact CE-O 3.45Å; F120-S124 PolarHBondContact O-N 3.39Å; F120-S124 PolarHBondContact O-OG 3.41Å; I121-S124 PolarHBondContact O-N 3.22Å; S124-N127 PolarHBondContact O-N 2.75Å
125L78.2Confident76.2Confident3 Ų363.7 Ų63.72%0.01629%0.294CS..Hα-helixtrans-71.9-27.9174.2-70.3173.3000112.5M98 V103 L106 L107 I121 L122 D123 N127 Y128M98-L125 HydrophobicContact CE-CD2 4.05Å; V103-L125 HydrophobicContact CB-CD2 4.45Å; V103-L125 HydrophobicContact CG1-CD2 3.88Å; V103-L125 HydrophobicContact CG2-CD2 4.19Å; L106-L125 HydrophobicContact CD1-CD2 4.45Å; L107-L125 HydrophobicContact CD2-CD1 3.95Å; I121-L125 HydrophobicContact CG2-CD1 3.92Å; I121-L125 HydrophobicContact CG2-CG 4.32Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 2.95Å; L122-L125 PolarHBondContact O-N 3.47Å; D123-L125 VanDerWaalsContact C-N 3.28Å; D123-L125 PolarHBondContact O-N 2.66Å; L125-N127 PolarHBondContact O-N 3.31Å; L125-Y128 VanDerWaalsContact O-CB 3.27Å; L125-Y128 WeakPolarHBondContact O-CB 3.35Å; L125-Y128 PolarHBondContact O-N 3.15Å; L125-Y128 VanDerWaalsContact O-N 3.1Å
126A73Confident76.2Confident15 Ų1558.2 Ų58.212%0.12427%0.27CS..Hα-helixtrans-67.4-23.3175.900000112.8L122 D123 N158 L162L122-A126 PolarHBondContact O-N 2.98Å; D123-A126 WeakPolarHBondContact O-CB 3.41Å; D123-A126 PolarHBondContact O-N 3.1Å; A126-N158 HydrophobicContact CB-CB 4.14Å; A126-L162 HydrophobicContact CB-CB 4.46Å; A126-L162 WeakPolarHBondContact O-CD1 3.49Å
127N71.3Confident76.1Confident93 Ų9353.5 Ų53.550%0.49726%0.256SS..THydrogen-bonded Turntrans-90-0.3173.4-73.9-38.1000113.3E89 D123 S124 L125E89-N127 PolarHBondContact OE1-ND2 2.8Å; D123-N127 PolarHBondContact O-N 2.99Å; S124-N127 PolarHBondContact O-N 2.75Å; L125-N127 PolarHBondContact O-N 3.31Å
128Y74.2Confident76Confident15 Ų1560.5 Ų60.56%0.05928%0.281CS..  trans-88133.1-179.6-170.4-123.4000112.6M98 S100 V103 L125 P130 E135M98-Y128 HydrophobicContact CB-CD2 3.82Å; M98-Y128 HydrophobicContact CB-CE2 4.13Å; M98-Y128 HydrophobicContact CE-CD1 4.35Å; M98-Y128 HydrophobicContact CE-CD2 3.49Å; M98-Y128 VanDerWaalsContact CE-CD2 3.49Å; M98-Y128 HydrophobicContact CE-CE2 4.46Å; M98-Y128 HydrophobicContact CE-CG 3.42Å; M98-Y128 VanDerWaalsContact CE-CG 3.42Å; M98-Y128 HydrophobicContact CG-CD2 4.02Å; M98-Y128 HydrophobicContact CG-CE2 4.23Å; M98-Y128 WeakPolarHBondContact O-CE2 3.4Å; S100-Y128 PolarHBondContact OG-OH 3.21Å; V103-Y128 HydrophobicContact CG2-CD1 3.9Å; V103-Y128 HydrophobicContact CG2-CD2 4.31Å; V103-Y128 HydrophobicContact CG2-CE1 3.67Å; V103-Y128 HydrophobicContact CG2-CE2 4.11Å; V103-Y128 HydrophobicContact CG2-CG 4.22Å; L125-Y128 VanDerWaalsContact O-CB 3.27Å; L125-Y128 WeakPolarHBondContact O-CB 3.35Å; L125-Y128 PolarHBondContact O-N 3.15Å; L125-Y128 VanDerWaalsContact O-N 3.1Å; Y128-P130 HydrophobicContact CE1-CB 4.2Å; Y128-E135 HydrophobicContact CE1-CG 4.24Å; Y128-E135 PolarHBondContact OH-OE1 3.37Å; Y128-E135 VanDerWaalsContact OH-OE1 3.06Å; Y128-E135 PolarHBondContact OH-OE2 3.23Å
129V72Confident75.6Confident97 Ų9760 Ų6059%0.58828%0.279SS*.  trans-96.8111.1167.4-175.30000108.3
130P72.2Confident75.3Confident19 Ų1959.8 Ų59.812%0.12328%0.279CS..  trans-65.4149.1178.830.5-37.8000111.2Y128 E135 A136 M166Y128-P130 HydrophobicContact CE1-CB 4.2Å; P130-E135 HydrophobicContact CB-CB 4.18Å; P130-E135 HydrophobicContact CB-CG 4.15Å; P130-A136 HydrophobicContact CB-CB 3.96Å; P130-A136 HydrophobicContact CG-CB 3.58Å; P130-M166 HydrophobicContact CB-CE 4.44Å; P130-M166 HydrophobicContact CG-CE 3.56Å; P130-M166 HydrophobicContact CG-SD 3.51Å; P130-M166 VanDerWaalsContact CG-SD 3.51Å
131R73.7Confident75Confident176 Ų17661.4 Ų61.466%0.66429%0.289SS*.SBendtrans-84.5-29.9-177.3-65.4-179.8177.4-168.3-3113.1E135R131-E135 PolarHBondContact N-OE2 3.11Å
132D75.2Confident74.6Confident88 Ų8863.1 Ų63.147%0.47130%0.3SS..SBendtrans-136160.2-178.369.232.8000111.9R134 E135 A136D132-R134 PolarHBondContact O-N 3.38Å; D132-R134 PolarHBondContact OD1-N 3.38Å; D132-R134 VanDerWaalsContact OD1-N 3.13Å; D132-E135 PolarHBondContact O-N 3.13Å; D132-E135 WeakPolarHBondContact OD1-CB 3.28Å; D132-E135 PolarHBondContact OD1-N 2.83Å; D132-A136 WeakPolarHBondContact O-CB 3.46Å; D132-A136 PolarHBondContact O-N 3.34Å
133E77.4Confident74.1Confident118 Ų11863.1 Ų63.155%0.55130%0.3SS*.Hα-helixtrans-58.5-30.7179.1174.1176.5-17000112.1Q137 L170E133-Q137 HydrophobicContact CG-CG 4.34Å; E133-Q137 VanDerWaalsContact O-CB 3.31Å; E133-Q137 WeakPolarHBondContact O-CB 3.44Å; E133-Q137 WeakPolarHBondContact O-CG 3.24Å; E133-Q137 PolarHBondContact O-N 3.46Å; E133-Q137 PolarHBondContact OE1-NE2 3.11Å; E133-Q137 VanDerWaalsContact OE1-NE2 3.14Å; E133-L170 HydrophobicContact CB-CD2 4.35Å; E133-L170 HydrophobicContact CG-CD2 3.73Å
134R78.2Confident73.7Confident190 Ų19063.7 Ų63.772%0.71730%0.303SS*.Hα-helixtrans-73.2-39.8-178.2-66-179.9177.3-177.2-0.5111.6D132 R138D132-R134 PolarHBondContact O-N 3.38Å; D132-R134 PolarHBondContact OD1-N 3.38Å; D132-R134 VanDerWaalsContact OD1-N 3.13Å; R134-R138 WeakPolarHBondContact O-CB 3.24Å; R134-R138 VanDerWaalsContact O-CG 3.27Å; R134-R138 WeakPolarHBondContact O-CG 3.48Å; R134-R138 PolarHBondContact O-N 3.48Å
135E74.3Confident73.3Confident18 Ų1870.3 Ų70.38%0.08433%0.328CS..Hα-helixtrans-68-44174.7-170.2176-138.700109.6S100 Y128 P130 R131 D132 Q137 R138 C139S100-E135 WeakPolarHBondContact CA-OE1 3.32Å; S100-E135 WeakPolarHBondContact CB-OE1 3.36Å; S100-E135 PolarHBondContact OG-OE1 3.22Å; Y128-E135 HydrophobicContact CE1-CG 4.24Å; Y128-E135 PolarHBondContact OH-OE1 3.37Å; Y128-E135 VanDerWaalsContact OH-OE1 3.06Å; Y128-E135 PolarHBondContact OH-OE2 3.23Å; P130-E135 HydrophobicContact CB-CB 4.18Å; P130-E135 HydrophobicContact CB-CG 4.15Å; R131-E135 PolarHBondContact N-OE2 3.11Å; D132-E135 PolarHBondContact O-N 3.13Å; D132-E135 WeakPolarHBondContact OD1-CB 3.28Å; D132-E135 PolarHBondContact OD1-N 2.83Å; E135-Q137 PolarHBondContact O-N 3.18Å; E135-R138 PolarHBondContact O-N 3.16Å; E135-C139 PolarHBondContact O-N 3.04Å; E135-C139 PolarHBondContact O-SG 3.49Å; E135-C139 VanDerWaalsContact O-SG 3.38Å
136A73.7Confident72.6Confident8 Ų870.9 Ų70.97%0.06633%0.33CS..Hα-helixtrans-55.3-51.917200000111.6P130 D132 R138 C139 C140 M166P130-A136 HydrophobicContact CB-CB 3.96Å; P130-A136 HydrophobicContact CG-CB 3.58Å; D132-A136 WeakPolarHBondContact O-CB 3.46Å; D132-A136 PolarHBondContact O-N 3.34Å; A136-R138 PolarHBondContact O-N 2.91Å; A136-C139 PolarHBondContact O-N 3.04Å; A136-C140 WeakPolarHBondContact O-CB 3.48Å; A136-C140 PolarHBondContact O-N 3.38Å; A136-C140 PolarHBondContact O-SG 3.12Å; A136-M166 HydrophobicContact CB-SD 3.6Å; A136-M166 VanDerWaalsContact CB-SD 3.6Å
137Q75.8Confident72.1Confident90 Ų9074.1 Ų74.142%0.42134%0.342SS..Hα-helixtrans-59.2-43.7177.6-77.1172.40.600112.1E133 E135 C140 I141E133-Q137 HydrophobicContact CG-CG 4.34Å; E133-Q137 VanDerWaalsContact O-CB 3.31Å; E133-Q137 WeakPolarHBondContact O-CB 3.44Å; E133-Q137 WeakPolarHBondContact O-CG 3.24Å; E133-Q137 PolarHBondContact O-N 3.46Å; E133-Q137 PolarHBondContact OE1-NE2 3.11Å; E133-Q137 VanDerWaalsContact OE1-NE2 3.14Å; E135-Q137 PolarHBondContact O-N 3.18Å; Q137-C140 PolarHBondContact O-N 3.41Å; Q137-I141 WeakPolarHBondContact O-CB 3.32Å; Q137-I141 WeakPolarHBondContact O-CD1 3.33Å; Q137-I141 WeakPolarHBondContact O-CG1 3.36Å; Q137-I141 PolarHBondContact O-N 3.01Å
138R75.1Confident71.7Confident152 Ų15277.4 Ų77.457%0.57435%0.352SS*.Hα-helixtrans-62.1-48.2177.2-77174.1-176-170.81.9111.9R134 E135 A136 I141 V142R134-R138 WeakPolarHBondContact O-CB 3.24Å; R134-R138 VanDerWaalsContact O-CG 3.27Å; R134-R138 WeakPolarHBondContact O-CG 3.48Å; R134-R138 PolarHBondContact O-N 3.48Å; E135-R138 PolarHBondContact O-N 3.16Å; A136-R138 PolarHBondContact O-N 2.91Å; R138-I141 PolarHBondContact O-N 2.98Å; R138-V142 VanDerWaalsContact O-CG2 3.27Å; R138-V142 WeakPolarHBondContact O-CG2 3.4Å; R138-V142 PolarHBondContact O-N 3.41Å
139C72.7Confident71Confident3 Ų381.6 Ų81.62%0.0238%0.375CS..Hα-helixtrans-60-46.7176.4-700000110.9E135 A136 I141 V142 I143 M166E135-C139 PolarHBondContact O-N 3.04Å; E135-C139 PolarHBondContact O-SG 3.49Å; E135-C139 VanDerWaalsContact O-SG 3.38Å; A136-C139 PolarHBondContact O-N 3.04Å; C139-I141 PolarHBondContact O-N 3.43Å; C139-V142 PolarHBondContact O-N 3.39Å; C139-I143 VanDerWaalsContact O-CB 3.31Å; C139-I143 WeakPolarHBondContact O-CB 3.08Å; C139-I143 WeakPolarHBondContact O-CD1 3.5Å; C139-I143 WeakPolarHBondContact O-CG1 3.46Å; C139-I143 PolarHBondContact O-N 3.35Å; C139-M166 HydrophobicContact CB-CE 4.27Å
140C71.5Confident70.3Confident22 Ų2280.6 Ų80.615%0.14936%0.364CS..Hα-helixtrans-59.5-46.2177-73.40000112.7A136 Q137 V142 I143 L144A136-C140 WeakPolarHBondContact O-CB 3.48Å; A136-C140 PolarHBondContact O-N 3.38Å; A136-C140 PolarHBondContact O-SG 3.12Å; Q137-C140 PolarHBondContact O-N 3.41Å; C140-V142 VanDerWaalsContact C-N 3.33Å; C140-V142 PolarHBondContact O-N 3.33Å; C140-I143 PolarHBondContact O-N 3.11Å; C140-L144 VanDerWaalsContact O-CB 3.28Å; C140-L144 WeakPolarHBondContact O-CB 3.44Å; C140-L144 WeakPolarHBondContact O-CD1 3.28Å; C140-L144 WeakPolarHBondContact O-CG 3.06Å; C140-L144 PolarHBondContact O-N 3.29Å
141I72.7Confident69.5Low113 Ų11388.3 Ų88.358%0.57940%0.398SS*.Hα-helixtrans-61-44.9179.3-71.5163.4000110.7Q137 R138 C139 L144 Y145Q137-I141 WeakPolarHBondContact O-CB 3.32Å; Q137-I141 WeakPolarHBondContact O-CD1 3.33Å; Q137-I141 WeakPolarHBondContact O-CG1 3.36Å; Q137-I141 PolarHBondContact O-N 3.01Å; R138-I141 PolarHBondContact O-N 2.98Å; C139-I141 PolarHBondContact O-N 3.43Å; I141-L144 PolarHBondContact O-N 3.08Å; I141-Y145 WeakPolarHBondContact O-CB 3.36Å; I141-Y145 PolarHBondContact O-N 3.27Å
142V72.2Confident68.6Low36 Ų3681.7 Ų81.722%0.21838%0.376CS..Hα-helixtrans-63.9-48.8179.3171.40000110.3L107 L110 R138 C139 C140 L144 Y145 F146L107-V142 HydrophobicContact CD2-CB 4.18Å; L107-V142 HydrophobicContact CD2-CG1 3.87Å; L107-V142 HydrophobicContact CD2-CG2 4.01Å; L110-V142 HydrophobicContact CD2-CG1 3.27Å; R138-V142 VanDerWaalsContact O-CG2 3.27Å; R138-V142 WeakPolarHBondContact O-CG2 3.4Å; R138-V142 PolarHBondContact O-N 3.41Å; C139-V142 PolarHBondContact O-N 3.39Å; C140-V142 VanDerWaalsContact C-N 3.33Å; C140-V142 PolarHBondContact O-N 3.33Å; V142-L144 VanDerWaalsContact C-N 3.33Å; V142-L144 PolarHBondContact O-N 3.34Å; V142-Y145 WeakPolarHBondContact O-CB 3.35Å; V142-Y145 PolarHBondContact O-N 3.17Å; V142-F146 HydrophobicContact CG1-CD2 3.98Å; V142-F146 HydrophobicContact CG1-CE2 4.05Å; V142-F146 VanDerWaalsContact O-CD2 3.31Å; V142-F146 WeakPolarHBondContact O-CD2 3.47Å; V142-F146 PolarHBondContact O-N 3.35Å; V142-F146 VanDerWaalsContact O-N 3.09Å
143I68.4Low67.6Low3 Ų384.3 Ų84.32%0.01539%0.388CS..Hα-helixtrans-59.9-44.2179-71.9167.4000111.3L122 C139 C140 F146 F147 V159 L162L122-I143 HydrophobicContact CD2-CG1 3.91Å; C139-I143 VanDerWaalsContact O-CB 3.31Å; C139-I143 WeakPolarHBondContact O-CB 3.08Å; C139-I143 WeakPolarHBondContact O-CD1 3.5Å; C139-I143 WeakPolarHBondContact O-CG1 3.46Å; C139-I143 PolarHBondContact O-N 3.35Å; C140-I143 PolarHBondContact O-N 3.11Å; I143-F146 PolarHBondContact O-N 3.33Å; I143-F147 WeakPolarHBondContact O-CB 3.5Å; I143-F147 PolarHBondContact O-N 3.1Å; I143-V159 HydrophobicContact CG2-CB 3.92Å; I143-V159 HydrophobicContact CG2-CG1 3.17Å; I143-V159 HydrophobicContact CG2-CG2 3.46Å; I143-V159 VanDerWaalsContact CG2-CG2 3.46Å; I143-L162 HydrophobicContact CD1-CD2 3.26Å
144L67.4Low66.5Low75 Ų7583.5 Ų83.539%0.39340%0.396SS..Hα-helixtrans-61.7-44.7175.7-74.8164.6000111.2C140 I141 V142 F146 F147 F148C140-L144 VanDerWaalsContact O-CB 3.28Å; C140-L144 WeakPolarHBondContact O-CB 3.44Å; C140-L144 WeakPolarHBondContact O-CD1 3.28Å; C140-L144 WeakPolarHBondContact O-CG 3.06Å; C140-L144 PolarHBondContact O-N 3.29Å; I141-L144 PolarHBondContact O-N 3.08Å; V142-L144 VanDerWaalsContact C-N 3.33Å; V142-L144 PolarHBondContact O-N 3.34Å; L144-F146 VanDerWaalsContact C-N 3.34Å; L144-F146 PolarHBondContact O-N 2.99Å; L144-F147 PolarHBondContact O-N 2.77Å; L144-F148 HydrophobicContact CD2-CE2 4.11Å; L144-F148 WeakPolarHBondContact O-CD2 3.22Å; L144-F148 PolarHBondContact O-N 3.46Å
145Y69.9Low65.3Low143 Ų14375.3 Ų75.356%0.56137%0.366SS*.Hα-helixtrans-56.7-47178.8-179.7-95000111.9I141 V142 F148 L149I141-Y145 WeakPolarHBondContact O-CB 3.36Å; I141-Y145 PolarHBondContact O-N 3.27Å; V142-Y145 WeakPolarHBondContact O-CB 3.35Å; V142-Y145 PolarHBondContact O-N 3.17Å; Y145-F148 PolarHBondContact O-N 3.39Å; Y145-L149 HydrophobicContact CD1-CD1 3.9Å; Y145-L149 HydrophobicContact CD2-CD1 3.68Å; Y145-L149 HydrophobicContact CE1-CD1 3.45Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.45Å; Y145-L149 HydrophobicContact CE2-CD1 3.21Å; Y145-L149 HydrophobicContact CG-CD1 4.01Å; Y145-L149 WeakPolarHBondContact O-CB 3.08Å; Y145-L149 PolarHBondContact O-N 2.92Å; Y145-L149 WeakPolarHBondContact OH-CD1 3.35Å
146F65.1Low64.3Low15 Ų1576.4 Ų76.47%0.06638%0.376CS..Hα-helixtrans-70-36.7177.9-80.8-79.9000113L110 Q118 L122 V142 I143 L144 F148 L149 E150L110-F146 HydrophobicContact CD1-CE2 4.45Å; L110-F146 HydrophobicContact CD1-CZ 4.47Å; L110-F146 HydrophobicContact CD2-CD2 3.78Å; L110-F146 HydrophobicContact CD2-CE2 3.29Å; L110-F146 HydrophobicContact CD2-CZ 3.96Å; L110-F146 HydrophobicContact CG-CD2 4.37Å; L110-F146 HydrophobicContact CG-CE2 3.63Å; L110-F146 HydrophobicContact CG-CZ 3.75Å; Q118-F146 VanDerWaalsContact CD-CE1 3.42Å; Q118-F146 HydrophobicContact CG-CE1 4.28Å; L122-F146 HydrophobicContact CD1-CB 3.95Å; L122-F146 HydrophobicContact CD1-CG 4.23Å; V142-F146 HydrophobicContact CG1-CD2 3.98Å; V142-F146 HydrophobicContact CG1-CE2 4.05Å; V142-F146 VanDerWaalsContact O-CD2 3.31Å; V142-F146 WeakPolarHBondContact O-CD2 3.47Å; V142-F146 PolarHBondContact O-N 3.35Å; V142-F146 VanDerWaalsContact O-N 3.09Å; I143-F146 PolarHBondContact O-N 3.33Å; L144-F146 VanDerWaalsContact C-N 3.34Å; L144-F146 PolarHBondContact O-N 2.99Å; F146-F148 VanDerWaalsContact C-N 3.29Å; F146-F148 PolarHBondContact O-N 3.07Å; F146-L149 PolarHBondContact O-N 3.03Å; F146-E150 PolarHBondContact O-N 3.38Å
147F62.2Low63.5Low83 Ų8381 Ų8136%0.36440%0.403SS..Hα-helixtrans-60.2-38.4175.2-173.9-91.7000112.4I143 L144 C156 V159I143-F147 WeakPolarHBondContact O-CB 3.5Å; I143-F147 PolarHBondContact O-N 3.1Å; L144-F147 PolarHBondContact O-N 2.77Å; F147-C156 HydrophobicContact CE2-CB 4.21Å; F147-C156 WeakPolarHBondContact CE2-SG 3.37Å; F147-V159 HydrophobicContact CD2-CG1 4.4Å
148F61.5Low62.5Low161 Ų16180.3 Ų80.371%0.70640%0.402SS*.Hα-helixtrans-84-21.8-176.7-83.3-72.1000114.8L144 Y145 F146L144-F148 HydrophobicContact CD2-CE2 4.11Å; L144-F148 WeakPolarHBondContact O-CD2 3.22Å; L144-F148 PolarHBondContact O-N 3.46Å; Y145-F148 PolarHBondContact O-N 3.39Å; F146-F148 VanDerWaalsContact C-N 3.29Å; F146-F148 PolarHBondContact O-N 3.07Å
149L60.5Low61.6Low104 Ų10473.4 Ų73.455%0.54538%0.377SS..Hα-helixtrans-103.4-31.1-170.7-75.6171.2000115.6Y145 F146Y145-L149 HydrophobicContact CD1-CD1 3.9Å; Y145-L149 HydrophobicContact CD2-CD1 3.68Å; Y145-L149 HydrophobicContact CE1-CD1 3.45Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.45Å; Y145-L149 HydrophobicContact CE2-CD1 3.21Å; Y145-L149 HydrophobicContact CG-CD1 4.01Å; Y145-L149 WeakPolarHBondContact O-CB 3.08Å; Y145-L149 PolarHBondContact O-N 2.92Å; Y145-L149 WeakPolarHBondContact OH-CD1 3.35Å; F146-L149 PolarHBondContact O-N 3.03Å
150E56Low61Low75 Ų7576.8 Ų76.835%0.3540%0.399SS..SBendtrans-112.69.5-164.6-65-143.616200116.1Q118 F146 I152Q118-E150 PolarHBondContact OE1-OE2 3.25Å; F146-E150 PolarHBondContact O-N 3.38Å; E150-I152 HydrophobicContact CB-CD1 3.93Å; E150-I152 HydrophobicContact CB-CG1 3.75Å; E150-I152 WeakPolarHBondContact O-CG1 3.47Å; E150-I152 PolarHBondContact O-N 3.38Å
151E56.2Low60.5Low181 Ų18179.7 Ų79.785%0.84642%0.419SS*.  trans48.826.9-179.3-70.1-167160.300114.3I153E151-I153 VanDerWaalsContact C-N 3.31Å; E151-I153 PolarHBondContact O-N 3.29Å
152I55.3Low60Low38 Ų3875 Ų7520%0.19540%0.395CS..  trans-79.383.3-178.5-51.4-178.6000109.5V119 E150 S154 V155V119-I152 HydrophobicContact CG2-CD1 4.02Å; V119-I152 HydrophobicContact CG2-CG2 3.65Å; E150-I152 HydrophobicContact CB-CD1 3.93Å; E150-I152 HydrophobicContact CB-CG1 3.75Å; E150-I152 WeakPolarHBondContact O-CG1 3.47Å; E150-I152 PolarHBondContact O-N 3.38Å; I152-S154 PolarHBondContact O-N 2.83Å; I152-S154 VanDerWaalsContact O-N 3.11Å; I152-V155 HydrophobicContact CB-CG2 4.25Å; I152-V155 HydrophobicContact CG2-CB 4.46Å; I152-V155 HydrophobicContact CG2-CG2 3.65Å; I152-V155 PolarHBondContact O-N 3.24Å; I152-V155 VanDerWaalsContact O-N 3.16Å
153I53.6Low59.6Low142 Ų14275.1 Ų75.173%0.72840%0.396SS*.G310 helixtrans-56.3-29.3-177.2-64.7165000112.6E151 V155 C156E151-I153 VanDerWaalsContact C-N 3.31Å; E151-I153 PolarHBondContact O-N 3.29Å; I153-V155 PolarHBondContact O-N 3.49Å; I153-C156 WeakPolarHBondContact O-CB 3.42Å; I153-C156 PolarHBondContact O-N 3.12Å; I153-C156 PolarHBondContact O-SG 2.93Å; I153-C156 VanDerWaalsContact O-SG 3.39Å
154S54Low59.3Low102 Ų10283.9 Ų83.971%0.71343%0.429SS*.G310 helixtrans-66.5-23.7-177.9-168.40000113.6I152 C156I152-S154 PolarHBondContact O-N 2.83Å; I152-S154 VanDerWaalsContact O-N 3.11Å; S154-C156 VanDerWaalsContact C-N 3.3Å
155V53.6Low59.2Low17 Ų1785.4 Ų85.410%0.10343%0.434CS..G310 helixtrans-80.5-17.4-176.5175.50000111.1V119 L122 I152 I153 V157 V159V119-V155 HydrophobicContact CG1-CG2 4.18Å; V119-V155 HydrophobicContact CG2-CG2 4.23Å; L122-V155 HydrophobicContact CD1-CG1 4.49Å; I152-V155 HydrophobicContact CB-CG2 4.25Å; I152-V155 HydrophobicContact CG2-CB 4.46Å; I152-V155 HydrophobicContact CG2-CG2 3.65Å; I152-V155 PolarHBondContact O-N 3.24Å; I152-V155 VanDerWaalsContact O-N 3.16Å; I153-V155 PolarHBondContact O-N 3.49Å; V155-V157 VanDerWaalsContact C-N 3.29Å; V155-V157 PolarHBondContact O-N 3.3Å; V155-V157 VanDerWaalsContact O-N 3.12Å; V155-V159 HydrophobicContact CG1-CB 3.91Å; V155-V159 HydrophobicContact CG1-CG2 3.19Å; V155-V159 VanDerWaalsContact O-CB 3.3Å; V155-V159 WeakPolarHBondContact O-CB 3.36Å; V155-V159 PolarHBondContact O-N 3.21Å; V155-V159 VanDerWaalsContact O-N 3.08Å
156C53.2Low58.8Low41 Ų4178.9 Ų78.928%0.27741%0.408SS..Hα-helixtrans-55.2-35.9-172.1-70.80000114.7F147 I153 S154 C160F147-C156 HydrophobicContact CE2-CB 4.21Å; F147-C156 WeakPolarHBondContact CE2-SG 3.37Å; I153-C156 WeakPolarHBondContact O-CB 3.42Å; I153-C156 PolarHBondContact O-N 3.12Å; I153-C156 PolarHBondContact O-SG 2.93Å; I153-C156 VanDerWaalsContact O-SG 3.39Å; S154-C156 VanDerWaalsContact C-N 3.3Å; C156-C160 VanDerWaalsContact O-CB 3.24Å; C156-C160 WeakPolarHBondContact O-CB 3.46Å; C156-C160 PolarHBondContact O-N 3.45Å; C156-C160 PolarHBondContact O-SG 3.26Å
157V57.2Low58.6Low105 Ų10583.1 Ų83.164%0.63643%0.431SS*.Hα-helixtrans-79.2-52.5-173.3-178.30000111.1V155 V159 C160 C161V155-V157 VanDerWaalsContact C-N 3.29Å; V155-V157 PolarHBondContact O-N 3.3Å; V155-V157 VanDerWaalsContact O-N 3.12Å; V157-V159 PolarHBondContact O-N 2.99Å; V157-C160 PolarHBondContact O-N 3.29Å; V157-C161 PolarHBondContact O-N 2.93Å; V157-C161 VanDerWaalsContact O-N 3.15Å
158N54.7Low58.7Low76 Ų7682.6 Ų82.641%0.40644%0.435SS..Hα-helixtrans-69.5-35-176.9-69.8-3.8000111.7D123 A126 C161 L162D123-N158 PolarHBondContact OD1-ND2 3.2Å; A126-N158 HydrophobicContact CB-CB 4.14Å; N158-C161 WeakPolarHBondContact O-CB 3.07Å; N158-C161 PolarHBondContact O-N 3.47Å; N158-L162 PolarHBondContact O-N 3.45Å
159V56.2Low58.7Low6 Ų679.9 Ų79.94%0.03643%0.427CS..Hα-helixtrans-70.6-38.2175.31600000112.8I143 F147 V155 V157 C161 L162 V163I143-V159 HydrophobicContact CG2-CB 3.92Å; I143-V159 HydrophobicContact CG2-CG1 3.17Å; I143-V159 HydrophobicContact CG2-CG2 3.46Å; I143-V159 VanDerWaalsContact CG2-CG2 3.46Å; F147-V159 HydrophobicContact CD2-CG1 4.4Å; V155-V159 HydrophobicContact CG1-CB 3.91Å; V155-V159 HydrophobicContact CG1-CG2 3.19Å; V155-V159 VanDerWaalsContact O-CB 3.3Å; V155-V159 WeakPolarHBondContact O-CB 3.36Å; V155-V159 PolarHBondContact O-N 3.21Å; V155-V159 VanDerWaalsContact O-N 3.08Å; V157-V159 PolarHBondContact O-N 2.99Å; V159-C161 VanDerWaalsContact C-N 3.27Å; V159-C161 PolarHBondContact O-N 3.03Å; V159-L162 PolarHBondContact O-N 2.86Å; V159-V163 HydrophobicContact CG1-CG2 4.19Å; V159-V163 WeakPolarHBondContact O-CB 3.34Å; V159-V163 WeakPolarHBondContact O-CG2 3.23Å; V159-V163 PolarHBondContact O-N 3.4Å
160C58.9Low58.5Low74 Ų7479.1 Ų79.150%0.542%0.423SS..Hα-helixtrans-60.2-41.2172.6-77.60000111.1C156 V157 W164C156-C160 VanDerWaalsContact O-CB 3.24Å; C156-C160 WeakPolarHBondContact O-CB 3.46Å; C156-C160 PolarHBondContact O-N 3.45Å; C156-C160 PolarHBondContact O-SG 3.26Å; V157-C160 PolarHBondContact O-N 3.29Å; C160-W164 VanDerWaalsContact O-CB 3.28Å; C160-W164 WeakPolarHBondContact O-CB 3.35Å; C160-W164 PolarHBondContact O-N 2.81Å
161C62.5Low58.5Low84 Ų8482.6 Ų82.657%0.56846%0.456SS*.Hα-helixtrans-61.7-45.2174.9-75.70000112.3V157 N158 V159 W164 H165V157-C161 PolarHBondContact O-N 2.93Å; V157-C161 VanDerWaalsContact O-N 3.15Å; N158-C161 WeakPolarHBondContact O-CB 3.07Å; N158-C161 PolarHBondContact O-N 3.47Å; V159-C161 VanDerWaalsContact C-N 3.27Å; V159-C161 PolarHBondContact O-N 3.03Å; C161-W164 PolarHBondContact O-N 2.96Å; C161-H165 WeakPolarHBondContact O-CB 3.5Å; C161-H165 PolarHBondContact O-N 3.49Å
162L61.4Low58.6Low13 Ų1377.7 Ų77.77%0.06844%0.437CS..Hα-helixtrans-66.5-45.9179-166.383.8000111.8A126 I143 N158 V159 W164 H165 M166A126-L162 HydrophobicContact CB-CB 4.46Å; A126-L162 WeakPolarHBondContact O-CD1 3.49Å; I143-L162 HydrophobicContact CD1-CD2 3.26Å; N158-L162 PolarHBondContact O-N 3.45Å; V159-L162 PolarHBondContact O-N 2.86Å; L162-W164 VanDerWaalsContact C-N 3.27Å; L162-W164 PolarHBondContact O-N 3.43Å; L162-H165 PolarHBondContact O-N 3.26Å; L162-H165 VanDerWaalsContact O-N 3.17Å; L162-M166 HydrophobicContact CD1-CE 4.14Å; L162-M166 HydrophobicContact CD2-CE 3.71Å; L162-M166 HydrophobicContact CG-CE 3.95Å; L162-M166 HydrophobicContact CG-CG 4.13Å; L162-M166 WeakPolarHBondContact O-CB 3.24Å; L162-M166 WeakPolarHBondContact O-CG 3.46Å; L162-M166 PolarHBondContact O-N 3.18Å
163V63.5Low58.8Low39 Ų3979.8 Ų79.824%0.23645%0.449CS..Hα-helixtrans-60.7-40.9178.1172.30000110.4V159 L167V159-V163 HydrophobicContact CG1-CG2 4.19Å; V159-V163 WeakPolarHBondContact O-CB 3.34Å; V159-V163 WeakPolarHBondContact O-CG2 3.23Å; V159-V163 PolarHBondContact O-N 3.4Å; V163-L167 HydrophobicContact CG1-CD1 3.81Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CB 3.38Å; V163-L167 WeakPolarHBondContact O-CD1 3.5Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.09Å
164W61.9Low59.1Low187 Ų18776.3 Ų76.371%0.70843%0.434SS*.Hα-helixtrans-61.8-47.3174.3-170-86.6000112C160 C161 L162 M166 L167 T168C160-W164 VanDerWaalsContact O-CB 3.28Å; C160-W164 WeakPolarHBondContact O-CB 3.35Å; C160-W164 PolarHBondContact O-N 2.81Å; C161-W164 PolarHBondContact O-N 2.96Å; L162-W164 VanDerWaalsContact C-N 3.27Å; L162-W164 PolarHBondContact O-N 3.43Å; W164-M166 PolarHBondContact O-N 3.11Å; W164-L167 PolarHBondContact O-N 2.92Å; W164-T168 PolarHBondContact O-N 2.76Å; W164-T168 PolarHBondContact O-OG1 3.26Å; W164-T168 VanDerWaalsContact O-OG1 3.14Å
165H65.5Low59.4Low108 Ų10874.8 Ų74.850%0.542%0.417SS..Hα-helixtrans-63.7-40.8179.9-155.2108.3000112.3C161 L162 T168 L169C161-H165 WeakPolarHBondContact O-CB 3.5Å; C161-H165 PolarHBondContact O-N 3.49Å; L162-H165 PolarHBondContact O-N 3.26Å; L162-H165 VanDerWaalsContact O-N 3.17Å; H165-T168 VanDerWaalsContact C-OG1 3.29Å; H165-T168 VanDerWaalsContact CA-OG1 3.3Å; H165-T168 WeakPolarHBondContact CA-OG1 3.5Å; H165-T168 PolarHBondContact O-N 3.43Å; H165-T168 PolarHBondContact O-OG1 3.07Å; H165-L169 WeakPolarHBondContact O-CG 3.36Å; H165-L169 PolarHBondContact O-N 3.47Å; H165-L169 VanDerWaalsContact O-N 3.14Å
166M61.9Low59.8Low5 Ų578.4 Ų78.43%0.02544%0.437CS..Hα-helixtrans-64.6-43.1175.9-67.4-92.4-16900111.5P130 A136 C139 L162 W164 T168 L169 L170P130-M166 HydrophobicContact CB-CE 4.44Å; P130-M166 HydrophobicContact CG-CE 3.56Å; P130-M166 HydrophobicContact CG-SD 3.51Å; P130-M166 VanDerWaalsContact CG-SD 3.51Å; A136-M166 HydrophobicContact CB-SD 3.6Å; A136-M166 VanDerWaalsContact CB-SD 3.6Å; C139-M166 HydrophobicContact CB-CE 4.27Å; L162-M166 HydrophobicContact CD1-CE 4.14Å; L162-M166 HydrophobicContact CD2-CE 3.71Å; L162-M166 HydrophobicContact CG-CE 3.95Å; L162-M166 HydrophobicContact CG-CG 4.13Å; L162-M166 WeakPolarHBondContact O-CB 3.24Å; L162-M166 WeakPolarHBondContact O-CG 3.46Å; L162-M166 PolarHBondContact O-N 3.18Å; W164-M166 PolarHBondContact O-N 3.11Å; M166-T168 VanDerWaalsContact C-N 3.33Å; M166-T168 PolarHBondContact O-N 3.31Å; M166-L169 PolarHBondContact O-N 2.82Å; M166-L169 VanDerWaalsContact O-N 3.17Å; M166-L170 WeakPolarHBondContact O-CG 3.5Å; M166-L170 PolarHBondContact O-N 3.05Å
167L61.6Low60.2Low105 Ų10580.9 Ų80.955%0.5545%0.448SS..Hα-helixtrans-64.4-37.6176.5-75168.4000111.8V163 W164 L169 L170 S171V163-L167 HydrophobicContact CG1-CD1 3.81Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CB 3.38Å; V163-L167 WeakPolarHBondContact O-CD1 3.5Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.09Å; W164-L167 PolarHBondContact O-N 2.92Å; L167-L169 VanDerWaalsContact C-N 3.27Å; L167-L169 PolarHBondContact O-N 3.3Å; L167-L170 PolarHBondContact O-N 3.4Å; L167-S171 PolarHBondContact O-N 2.89Å
168T64.2Low60.4Low71 Ų7179.2 Ų79.244%0.43643%0.434SS..Hα-helixtrans-69.4-21.7174.547.40000114W164 H165 M166 S171W164-T168 PolarHBondContact O-N 2.76Å; W164-T168 PolarHBondContact O-OG1 3.26Å; W164-T168 VanDerWaalsContact O-OG1 3.14Å; H165-T168 VanDerWaalsContact C-OG1 3.29Å; H165-T168 VanDerWaalsContact CA-OG1 3.3Å; H165-T168 WeakPolarHBondContact CA-OG1 3.5Å; H165-T168 PolarHBondContact O-N 3.43Å; H165-T168 PolarHBondContact O-OG1 3.07Å; M166-T168 VanDerWaalsContact C-N 3.33Å; M166-T168 PolarHBondContact O-N 3.31Å; T168-S171 PolarHBondContact O-OG 3.21Å
169L60.4Low60.9Low105 Ų10579.5 Ų79.555%0.5544%0.436SS..Hα-helixtrans-83.4-18.6174-73.7170.3000112.9H165 M166 L167H165-L169 WeakPolarHBondContact O-CG 3.36Å; H165-L169 PolarHBondContact O-N 3.47Å; H165-L169 VanDerWaalsContact O-N 3.14Å; M166-L169 PolarHBondContact O-N 2.82Å; M166-L169 VanDerWaalsContact O-N 3.17Å; L167-L169 VanDerWaalsContact C-N 3.27Å; L167-L169 PolarHBondContact O-N 3.3Å
170L55.8Low61.3Low87 Ų8785.6 Ų85.646%0.45547%0.47SS..Hα-helixtrans-96.1-8.7-179.5-69.3168.6000113.8E133 M166 L167E133-L170 HydrophobicContact CB-CD2 4.35Å; E133-L170 HydrophobicContact CG-CD2 3.73Å; M166-L170 WeakPolarHBondContact O-CG 3.5Å; M166-L170 PolarHBondContact O-N 3.05Å; L167-L170 PolarHBondContact O-N 3.4Å
171S57.6Low61.5Low149 Ų14986.6 Ų86.6100%1.04247%0.467SS*.  trans-101.20177.765.30000112.5L167 T168L167-S171 PolarHBondContact O-N 2.89Å; T168-S171 PolarHBondContact O-OG 3.21Å

Retrieved 171 of 171 residues in 148.2 ms (Link to these results)