A0A077ZAR7_TRITR Loading...

COP9 signalosome complex subunit 3

AlphaFold DB , UniProt , Accession A0A077ZAR7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 455 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M60.7Low82.9Confident166 Ų16678.9 Ų78.982%0.81839%0.385SS*.  0-59.30-159.4173.5-83.200111.1F3 R4 D5M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 3.11Å; M1-R4 PolarHBondContact O-N 3Å; M1-R4 VanDerWaalsContact O-N 3.08Å; M1-D5 PolarHBondContact O-N 3.14Å; M1-D5 VanDerWaalsContact O-N 3.09Å
2E80.1Confident83.1Confident175 Ų17583.8 Ų83.882%0.81840%0.396SS*.Hα-helixtrans-52.6-44178.6-70-171.2162.300114.3R4 S6E2-R4 PolarHBondContact O-N 3.28Å; E2-S6 WeakPolarHBondContact O-CB 3.34Å; E2-S6 PolarHBondContact O-N 3.34Å
3F83.9Confident83.4Confident52 Ų5282.5 Ų82.523%0.22839%0.392CS..Hα-helixtrans-59.1-48.6176.9171.4-104.6000112.3M1 D5 S6 F7 L30 I36 D41 L45M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 3.11Å; F3-D5 PolarHBondContact O-N 2.86Å; F3-S6 PolarHBondContact O-N 2.91Å; F3-F7 HydrophobicContact CZ-CB 4.45Å; F3-F7 HydrophobicContact CZ-CD2 4.26Å; F3-F7 VanDerWaalsContact O-CB 3.28Å; F3-F7 WeakPolarHBondContact O-CB 3.5Å; F3-F7 PolarHBondContact O-N 3.48Å; F3-L30 HydrophobicContact CE2-CD2 4Å; F3-I36 HydrophobicContact CD1-CG2 4.11Å; F3-I36 HydrophobicContact CE1-CD1 3.59Å; F3-I36 HydrophobicContact CE1-CG1 4.21Å; F3-I36 HydrophobicContact CE1-CG2 4.18Å; F3-I36 HydrophobicContact CE2-CD1 4.04Å; F3-I36 HydrophobicContact CE2-CG1 4.27Å; F3-I36 HydrophobicContact CZ-CD1 3.32Å; F3-I36 HydrophobicContact CZ-CG1 3.98Å; F3-D41 HydrophobicContact CD1-CB 4.46Å; F3-L45 HydrophobicContact CD1-CD1 4.29Å; F3-L45 HydrophobicContact CE1-CD1 3.65Å; F3-L45 HydrophobicContact CZ-CD1 4.48Å
4R83.9Confident83.5Confident75 Ų7579.2 Ų79.228%0.28338%0.376SS..Hα-helixtrans-61.8-46.9-178.3-70.7177.548.6-1731.5111.7M1 E2 F7 V8 D41 D44 L45M1-R4 PolarHBondContact O-N 3Å; M1-R4 VanDerWaalsContact O-N 3.08Å; E2-R4 PolarHBondContact O-N 3.28Å; R4-F7 PolarHBondContact O-N 2.9Å; R4-V8 WeakPolarHBondContact O-CB 3.35Å; R4-V8 VanDerWaalsContact O-CG2 3.3Å; R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 2.95Å; R4-D41 WeakPolarHBondContact CD-OD1 3.19Å; R4-D41 HydrophobicContact CG-CB 3.76Å; R4-D44 IonicContact CZ-OD2 3.38Å; R4-D44 IonicContact NH1-OD2 2.64Å; R4-D44 PolarHBondContact NH1-OD2 3.09Å; R4-D44 IonicContact NH2-OD2 3.77Å; R4-L45 HydrophobicContact CB-CD2 4.16Å; R4-L45 HydrophobicContact CB-CG 4.46Å; R4-L45 HydrophobicContact CG-CD1 4.17Å; R4-L45 HydrophobicContact CG-CD2 4.22Å; R4-L45 HydrophobicContact CG-CG 3.98Å
5D83.6Confident83.4Confident98 Ų9876.8 Ų76.852%0.52437%0.371SS..Hα-helixtrans-66.7-41.8-177.6-65.1-29.5000110.7M1 F3 H9M1-D5 PolarHBondContact O-N 3.14Å; M1-D5 VanDerWaalsContact O-N 3.09Å; F3-D5 PolarHBondContact O-N 2.86Å; D5-H9 WeakPolarHBondContact O-CB 3.46Å; D5-H9 PolarHBondContact O-N 3.36Å
6S86Confident83.3Confident54 Ų5478.8 Ų78.838%0.37839%0.389SS..Hα-helixtrans-61.8-45.3174.1-174.40000112.1E2 F3 H9 K10E2-S6 WeakPolarHBondContact O-CB 3.34Å; E2-S6 PolarHBondContact O-N 3.34Å; F3-S6 PolarHBondContact O-N 2.91Å; S6-H9 PolarHBondContact O-N 3.1Å; S6-K10 WeakPolarHBondContact O-CB 3.29Å; S6-K10 WeakPolarHBondContact O-CG 3.29Å; S6-K10 PolarHBondContact O-N 2.82Å
7F88.1Confident83.1Confident1 Ų179.6 Ų79.60%0.00440%0.396CS..Hα-helixtrans-60.7-52.5177.4-178.6-90.3000111.4F3 R4 H9 K10 V11 Y26 L27 L30 L45 L49 P57 I61F3-F7 HydrophobicContact CZ-CB 4.45Å; F3-F7 HydrophobicContact CZ-CD2 4.26Å; F3-F7 VanDerWaalsContact O-CB 3.28Å; F3-F7 WeakPolarHBondContact O-CB 3.5Å; F3-F7 PolarHBondContact O-N 3.48Å; R4-F7 PolarHBondContact O-N 2.9Å; F7-H9 VanDerWaalsContact C-N 3.29Å; F7-H9 PolarHBondContact O-N 3.5Å; F7-K10 PolarHBondContact O-N 3.2Å; F7-V11 HydrophobicContact CD1-CG2 4Å; F7-V11 HydrophobicContact CD2-CG2 4.48Å; F7-V11 HydrophobicContact CE1-CG2 3.68Å; F7-V11 HydrophobicContact CE2-CG2 4.18Å; F7-V11 HydrophobicContact CG-CG2 4.4Å; F7-V11 HydrophobicContact CZ-CG2 3.78Å; F7-V11 WeakPolarHBondContact O-CB 3.32Å; F7-V11 VanDerWaalsContact O-CG2 3.27Å; F7-V11 WeakPolarHBondContact O-CG2 3.45Å; F7-V11 PolarHBondContact O-N 2.74Å; F7-Y26 HydrophobicContact CD2-CE1 4.04Å; F7-Y26 HydrophobicContact CE2-CE1 4.32Å; F7-L27 HydrophobicContact CE2-CD2 3.91Å; F7-L27 HydrophobicContact CZ-CD2 4.18Å; F7-L30 HydrophobicContact CD2-CD1 3.61Å; F7-L30 HydrophobicContact CE2-CD1 3.65Å; F7-L45 HydrophobicContact CB-CD1 4.42Å; F7-L45 HydrophobicContact CD1-CD1 3.97Å; F7-L45 HydrophobicContact CD1-CD2 3.8Å; F7-L45 HydrophobicContact CD1-CG 4.46Å; F7-L45 HydrophobicContact CE1-CD1 4.47Å; F7-L45 HydrophobicContact CE1-CD2 4.47Å; F7-L45 HydrophobicContact CG-CD1 4.18Å; F7-L49 HydrophobicContact CE1-CD1 4.37Å; F7-P57 HydrophobicContact CE1-CB 4.27Å; F7-P57 HydrophobicContact CZ-CB 4.02Å; F7-I61 HydrophobicContact CE1-CD1 4.11Å; F7-I61 HydrophobicContact CE1-CG1 4.15Å; F7-I61 HydrophobicContact CE2-CD1 4.06Å; F7-I61 HydrophobicContact CE2-CG1 4.5Å; F7-I61 HydrophobicContact CZ-CD1 3.75Å; F7-I61 HydrophobicContact CZ-CG1 3.78Å
8V86.8Confident82.9Confident34 Ų3478.8 Ų78.821%0.20640%0.403CS..Hα-helixtrans-61-41-179.9171.40000110.9R4 R12 L45 Y48R4-V8 WeakPolarHBondContact O-CB 3.35Å; R4-V8 VanDerWaalsContact O-CG2 3.3Å; R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 2.95Å; V8-R12 WeakPolarHBondContact O-CB 3.44Å; V8-R12 PolarHBondContact O-N 3.45Å; V8-L45 HydrophobicContact CG2-CD2 3.58Å; V8-Y48 HydrophobicContact CG1-CE1 3.77Å; V8-Y48 HydrophobicContact CG2-CD1 4.1Å; V8-Y48 HydrophobicContact CG2-CE1 3.99Å
9H86.6Confident83Confident119 Ų11978.5 Ų78.555%0.55140%0.4SS*.Hα-helixtrans-62.5-50.3178-175.769.4000112D5 S6 F7 R12 I13D5-H9 WeakPolarHBondContact O-CB 3.46Å; D5-H9 PolarHBondContact O-N 3.36Å; S6-H9 PolarHBondContact O-N 3.1Å; F7-H9 VanDerWaalsContact C-N 3.29Å; F7-H9 PolarHBondContact O-N 3.5Å; H9-R12 PolarHBondContact O-N 2.94Å; H9-I13 VanDerWaalsContact NE2-CD1 3.26Å; H9-I13 WeakPolarHBondContact NE2-CD1 3.42Å; H9-I13 WeakPolarHBondContact O-CG1 3.38Å; H9-I13 PolarHBondContact O-N 3Å
10K86.6Confident83.1Confident83 Ų8377.8 Ų77.836%0.36139%0.394SS..Hα-helixtrans-63.5-47.2179.3-74.4-178.8176.7-175.60112.2S6 F7 R12 I13 F14 Y26S6-K10 WeakPolarHBondContact O-CB 3.29Å; S6-K10 WeakPolarHBondContact O-CG 3.29Å; S6-K10 PolarHBondContact O-N 2.82Å; F7-K10 PolarHBondContact O-N 3.2Å; K10-R12 VanDerWaalsContact C-N 3.26Å; K10-R12 PolarHBondContact O-N 2.83Å; K10-I13 PolarHBondContact O-N 3.4Å; K10-F14 HydrophobicContact CB-CD2 4.45Å; K10-F14 HydrophobicContact CB-CE2 4.07Å; K10-F14 WeakPolarHBondContact O-CD2 3.43Å; K10-F14 WeakPolarHBondContact O-CG 3.32Å; K10-F14 PolarHBondContact O-N 3.37Å; K10-Y26 HydrophobicContact CB-CD1 4.39Å; K10-Y26 HydrophobicContact CB-CE1 3.95Å; K10-Y26 HydrophobicContact CD-CD2 3.95Å; K10-Y26 HydrophobicContact CD-CE1 4.14Å; K10-Y26 HydrophobicContact CD-CE2 3.38Å; K10-Y26 VanDerWaalsContact CD-CZ 3.47Å
11V86Confident83.1Confident11 Ų1178.3 Ų78.37%0.06740%0.403CS..Hα-helixtrans-57.3-43175.9169.70000110.6F7 F14 S15 L23 P57F7-V11 HydrophobicContact CD1-CG2 4Å; F7-V11 HydrophobicContact CD2-CG2 4.48Å; F7-V11 HydrophobicContact CE1-CG2 3.68Å; F7-V11 HydrophobicContact CE2-CG2 4.18Å; F7-V11 HydrophobicContact CG-CG2 4.4Å; F7-V11 HydrophobicContact CZ-CG2 3.78Å; F7-V11 WeakPolarHBondContact O-CB 3.32Å; F7-V11 VanDerWaalsContact O-CG2 3.27Å; F7-V11 WeakPolarHBondContact O-CG2 3.45Å; F7-V11 PolarHBondContact O-N 2.74Å; V11-F14 PolarHBondContact O-N 3.01Å; V11-S15 VanDerWaalsContact O-CB 3.28Å; V11-S15 WeakPolarHBondContact O-CB 3.44Å; V11-S15 PolarHBondContact O-N 3.48Å; V11-S15 PolarHBondContact O-OG 3.3Å; V11-L23 HydrophobicContact CG2-CD1 4.05Å; V11-P57 HydrophobicContact CB-CG 4.48Å; V11-P57 HydrophobicContact CG1-CB 4.16Å; V11-P57 HydrophobicContact CG1-CG 3.46Å; V11-P57 VanDerWaalsContact CG1-CG 3.46Å; V11-P57 HydrophobicContact CG2-CB 4.26Å; V11-P57 HydrophobicContact CG2-CG 4.12Å
12R85.1Confident84.3Confident137 Ų13774.5 Ų74.552%0.51739%0.385SS..Hα-helixtrans-64.5-42.6178.9-167177.4-164.5176.34.2112V8 H9 K10 T16V8-R12 WeakPolarHBondContact O-CB 3.44Å; V8-R12 PolarHBondContact O-N 3.45Å; H9-R12 PolarHBondContact O-N 2.94Å; K10-R12 VanDerWaalsContact C-N 3.26Å; K10-R12 PolarHBondContact O-N 2.83Å; R12-T16 VanDerWaalsContact O-CB 3.28Å; R12-T16 WeakPolarHBondContact O-CB 3.43Å; R12-T16 PolarHBondContact O-N 3.25Å; R12-T16 PolarHBondContact O-OG1 3.28Å
13I86.9Confident84.6Confident67 Ų6766.3 Ų66.334%0.34435%0.347SS..Hα-helixtrans-60.3-53177.6-72.6169.2000110.2H9 K10 S15 T16 N17H9-I13 VanDerWaalsContact NE2-CD1 3.26Å; H9-I13 WeakPolarHBondContact NE2-CD1 3.42Å; H9-I13 WeakPolarHBondContact O-CG1 3.38Å; H9-I13 PolarHBondContact O-N 3Å; K10-I13 PolarHBondContact O-N 3.4Å; I13-S15 PolarHBondContact O-N 3.19Å; I13-T16 PolarHBondContact O-N 3.01Å; I13-N17 WeakPolarHBondContact O-CB 3.44Å; I13-N17 PolarHBondContact O-N 2.75Å; I13-N17 VanDerWaalsContact O-N 3.16Å; I13-N17 PolarHBondContact O-ND2 3.3Å
14F84.9Confident84.7Confident37 Ų3764.6 Ų64.616%0.16234%0.341CS..Hα-helixtrans-66.8-41.4-175.8-59.9-46.3000112.4K10 V11 N17 A18 Q19 L22 L23 Y26K10-F14 HydrophobicContact CB-CD2 4.45Å; K10-F14 HydrophobicContact CB-CE2 4.07Å; K10-F14 WeakPolarHBondContact O-CD2 3.43Å; K10-F14 WeakPolarHBondContact O-CG 3.32Å; K10-F14 PolarHBondContact O-N 3.37Å; V11-F14 PolarHBondContact O-N 3.01Å; F14-N17 PolarHBondContact O-N 3.11Å; F14-A18 PolarHBondContact O-N 3Å; F14-Q19 HydrophobicContact CD1-CB 4.39Å; F14-Q19 PolarHBondContact O-N 2.85Å; F14-L22 HydrophobicContact CD1-CB 3.88Å; F14-L22 HydrophobicContact CD1-CD1 4.42Å; F14-L22 HydrophobicContact CE1-CB 3.87Å; F14-L22 HydrophobicContact CE1-CD1 4.22Å; F14-L22 HydrophobicContact CG-CB 4.46Å; F14-L22 HydrophobicContact CZ-CB 4.43Å; F14-L23 HydrophobicContact CB-CB 3.87Å; F14-L23 HydrophobicContact CB-CD1 4.37Å; F14-L23 HydrophobicContact CD2-CB 4.31Å; F14-L23 HydrophobicContact CD2-CD1 4.07Å; F14-L23 HydrophobicContact CG-CB 4.37Å; F14-Y26 HydrophobicContact CE2-CD1 4.27Å; F14-Y26 HydrophobicContact CE2-CG 4.07Å
15S82.6Confident84.9Confident43 Ų4365.5 Ų65.530%0.30136%0.355SS..Hα-helixtrans-67.1-40178.3-63.70000112.7V11 I13 N17 A18V11-S15 VanDerWaalsContact O-CB 3.28Å; V11-S15 WeakPolarHBondContact O-CB 3.44Å; V11-S15 PolarHBondContact O-N 3.48Å; V11-S15 PolarHBondContact O-OG 3.3Å; I13-S15 PolarHBondContact O-N 3.19Å; S15-N17 VanDerWaalsContact C-N 3.29Å; S15-N17 PolarHBondContact O-N 3.19Å; S15-A18 PolarHBondContact O-N 3.3Å
16T81.4Confident85.2Confident109 Ų10962.5 Ų62.567%0.66934%0.336SS*.Hα-helixtrans-67.5-33.6-179.9-51.40000111.4R12 I13 A18R12-T16 VanDerWaalsContact O-CB 3.28Å; R12-T16 WeakPolarHBondContact O-CB 3.43Å; R12-T16 PolarHBondContact O-N 3.25Å; R12-T16 PolarHBondContact O-OG1 3.28Å; I13-T16 PolarHBondContact O-N 3.01Å; T16-A18 VanDerWaalsContact C-N 3.32Å
17N79.6Confident85.4Confident93 Ų9360 Ų6050%0.49732%0.319SS..THydrogen-bonded Turntrans-88.65.6179.7-63.6-21.2000113.6I13 F14 S15 Q19I13-N17 WeakPolarHBondContact O-CB 3.44Å; I13-N17 PolarHBondContact O-N 2.75Å; I13-N17 VanDerWaalsContact O-N 3.16Å; I13-N17 PolarHBondContact O-ND2 3.3Å; F14-N17 PolarHBondContact O-N 3.11Å; S15-N17 VanDerWaalsContact C-N 3.29Å; S15-N17 PolarHBondContact O-N 3.19Å; N17-Q19 HydrophobicContact CB-CB 4.5Å; N17-Q19 HydrophobicContact CB-CG 3.81Å; N17-Q19 PolarHBondContact O-N 3.45Å; N17-Q19 VanDerWaalsContact O-N 3.13Å
18A80.1Confident85.3Confident64 Ų6462.6 Ų62.653%0.52933%0.333SS..THydrogen-bonded Turntrans52.329.7-173.200000114F14 S15 T16 F20F14-A18 PolarHBondContact O-N 3Å; S15-A18 PolarHBondContact O-N 3.3Å; T16-A18 VanDerWaalsContact C-N 3.32Å; A18-F20 VanDerWaalsContact C-N 3.27Å; A18-F20 HydrophobicContact CB-CE2 4.01Å; A18-F20 WeakPolarHBondContact O-CD2 3.29Å; A18-F20 PolarHBondContact O-N 3.44Å; A18-F20 VanDerWaalsContact O-N 3.09Å
19Q84.9Confident85.3Confident74 Ų7462.2 Ų62.235%0.34634%0.335SS..  trans-88.359.2-178.7-70.2177.8-25.600111.1F14 N17 L22 L23F14-Q19 HydrophobicContact CD1-CB 4.39Å; F14-Q19 PolarHBondContact O-N 2.85Å; N17-Q19 HydrophobicContact CB-CB 4.5Å; N17-Q19 HydrophobicContact CB-CG 3.81Å; N17-Q19 PolarHBondContact O-N 3.45Å; N17-Q19 VanDerWaalsContact O-N 3.13Å; Q19-L22 HydrophobicContact CB-CB 4.28Å; Q19-L22 HydrophobicContact CB-CD1 4.08Å; Q19-L22 HydrophobicContact CB-CG 4.45Å; Q19-L22 HydrophobicContact CG-CD1 4.28Å; Q19-L22 PolarHBondContact O-N 3.24Å; Q19-L23 PolarHBondContact O-N 3.46Å; Q19-L23 VanDerWaalsContact O-N 3.1Å
20F83.5Confident85.3Confident63 Ų6357.8 Ų57.828%0.27632%0.316SS..Hα-helixtrans-58.3-40.1-177.2-56.9-70000114.1A18 L22 L23 V24 L56 M93 L96A18-F20 VanDerWaalsContact C-N 3.27Å; A18-F20 HydrophobicContact CB-CE2 4.01Å; A18-F20 WeakPolarHBondContact O-CD2 3.29Å; A18-F20 PolarHBondContact O-N 3.44Å; A18-F20 VanDerWaalsContact O-N 3.09Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 3.48Å; F20-L23 WeakPolarHBondContact O-CB 3.23Å; F20-L23 PolarHBondContact O-N 3.01Å; F20-L23 VanDerWaalsContact O-N 3.14Å; F20-V24 WeakPolarHBondContact O-CG2 3.29Å; F20-V24 PolarHBondContact O-N 3.02Å; F20-L56 HydrophobicContact CD1-CD1 4.36Å; F20-M93 HydrophobicContact CD1-CE 4.23Å; F20-M93 HydrophobicContact CD1-SD 4.02Å; F20-M93 HydrophobicContact CE1-CE 3.66Å; F20-M93 HydrophobicContact CE1-SD 4.01Å; F20-M93 HydrophobicContact CE2-CE 4.06Å; F20-M93 HydrophobicContact CG-SD 4.45Å; F20-M93 HydrophobicContact CZ-CE 3.57Å; F20-M93 HydrophobicContact CZ-SD 4.42Å; F20-L96 HydrophobicContact CB-CD1 4.06Å
21P84.1Confident85.2Confident89 Ų8954.6 Ų54.658%0.57830%0.303SS*.Hα-helixtrans-61.9-36.5177-25.235.8000113.8V24 T25P21-V24 PolarHBondContact O-N 3.33Å; P21-T25 PolarHBondContact O-N 3.01Å; P21-T25 PolarHBondContact O-OG1 2.9Å
22L85.7Confident85.1Confident87 Ų8760.6 Ų60.646%0.45533%0.334SS..Hα-helixtrans-70.2-37.1175.5-67.6178000111.3F14 Q19 F20 T25 Y26F14-L22 HydrophobicContact CD1-CB 3.88Å; F14-L22 HydrophobicContact CD1-CD1 4.42Å; F14-L22 HydrophobicContact CE1-CB 3.87Å; F14-L22 HydrophobicContact CE1-CD1 4.22Å; F14-L22 HydrophobicContact CG-CB 4.46Å; F14-L22 HydrophobicContact CZ-CB 4.43Å; Q19-L22 HydrophobicContact CB-CB 4.28Å; Q19-L22 HydrophobicContact CB-CD1 4.08Å; Q19-L22 HydrophobicContact CB-CG 4.45Å; Q19-L22 HydrophobicContact CG-CD1 4.28Å; Q19-L22 PolarHBondContact O-N 3.24Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 3.48Å; L22-T25 PolarHBondContact O-N 3.24Å; L22-Y26 WeakPolarHBondContact O-CB 3.45Å; L22-Y26 PolarHBondContact O-N 3.25Å
23L86.6Confident84.9Confident2 Ų260.5 Ų60.51%0.0134%0.344CS..Hα-helixtrans-62.4-44.9173.6-179.459.5000111.3V11 F14 Q19 F20 Y26 L27 L56 P57V11-L23 HydrophobicContact CG2-CD1 4.05Å; F14-L23 HydrophobicContact CB-CB 3.87Å; F14-L23 HydrophobicContact CB-CD1 4.37Å; F14-L23 HydrophobicContact CD2-CB 4.31Å; F14-L23 HydrophobicContact CD2-CD1 4.07Å; F14-L23 HydrophobicContact CG-CB 4.37Å; Q19-L23 PolarHBondContact O-N 3.46Å; Q19-L23 VanDerWaalsContact O-N 3.1Å; F20-L23 WeakPolarHBondContact O-CB 3.23Å; F20-L23 PolarHBondContact O-N 3.01Å; F20-L23 VanDerWaalsContact O-N 3.14Å; L23-Y26 HydrophobicContact CD1-CD1 4.45Å; L23-Y26 PolarHBondContact O-N 3.41Å; L23-L27 HydrophobicContact CD1-CD1 4.22Å; L23-L27 HydrophobicContact CD1-CG 4.21Å; L23-L27 HydrophobicContact CG-CD1 4.07Å; L23-L27 HydrophobicContact CG-CG 4.47Å; L23-L27 VanDerWaalsContact O-CG 3.31Å; L23-L27 WeakPolarHBondContact O-CG 3.5Å; L23-L27 PolarHBondContact O-N 2.94Å; L23-L56 HydrophobicContact CD2-CB 4.11Å; L23-L56 HydrophobicContact CD2-CD1 4.08Å; L23-P57 HydrophobicContact CD2-CG 4.37Å
24V86.6Confident84.2Confident17 Ų1758.2 Ų58.210%0.10334%0.337CS..Hα-helixtrans-59.4-48.5175.8169.60000110.8F20 P21 Y26 L27 N28 L56 L96 M97F20-V24 WeakPolarHBondContact O-CG2 3.29Å; F20-V24 PolarHBondContact O-N 3.02Å; P21-V24 PolarHBondContact O-N 3.33Å; V24-Y26 VanDerWaalsContact C-N 3.28Å; V24-Y26 PolarHBondContact O-N 3.05Å; V24-L27 PolarHBondContact O-N 3.13Å; V24-N28 WeakPolarHBondContact O-CB 3.34Å; V24-N28 PolarHBondContact O-N 2.89Å; V24-L56 HydrophobicContact CG2-CD1 4.06Å; V24-L96 HydrophobicContact CG2-CB 3.97Å; V24-M97 HydrophobicContact CB-CG 4.18Å; V24-M97 HydrophobicContact CB-SD 4.31Å; V24-M97 HydrophobicContact CG1-CG 3.66Å; V24-M97 HydrophobicContact CG1-SD 4.17Å; V24-M97 HydrophobicContact CG2-CG 3.7Å; V24-M97 HydrophobicContact CG2-SD 4.01Å
25T88.4Confident83.8Confident94 Ų9460.7 Ų60.758%0.57736%0.357SS*.Hα-helixtrans-59.5-41.4178-530000111.4P21 L22 G29P21-T25 PolarHBondContact O-N 3.01Å; P21-T25 PolarHBondContact O-OG1 2.9Å; L22-T25 PolarHBondContact O-N 3.24Å; T25-G29 PolarHBondContact O-N 2.89Å
26Y89.4Confident83.6Confident34 Ų3459.8 Ų59.813%0.13335%0.348CS..Hα-helixtrans-65-44.1176.3172.5-114.9000112.4F7 K10 F14 L22 L23 V24 G29 L30F7-Y26 HydrophobicContact CD2-CE1 4.04Å; F7-Y26 HydrophobicContact CE2-CE1 4.32Å; K10-Y26 HydrophobicContact CB-CD1 4.39Å; K10-Y26 HydrophobicContact CB-CE1 3.95Å; K10-Y26 HydrophobicContact CD-CD2 3.95Å; K10-Y26 HydrophobicContact CD-CE1 4.14Å; K10-Y26 HydrophobicContact CD-CE2 3.38Å; K10-Y26 VanDerWaalsContact CD-CZ 3.47Å; F14-Y26 HydrophobicContact CE2-CD1 4.27Å; F14-Y26 HydrophobicContact CE2-CG 4.07Å; L22-Y26 WeakPolarHBondContact O-CB 3.45Å; L22-Y26 PolarHBondContact O-N 3.25Å; L23-Y26 HydrophobicContact CD1-CD1 4.45Å; L23-Y26 PolarHBondContact O-N 3.41Å; V24-Y26 VanDerWaalsContact C-N 3.28Å; V24-Y26 PolarHBondContact O-N 3.05Å; Y26-G29 PolarHBondContact O-N 2.87Å; Y26-L30 HydrophobicContact CD1-CD1 4.25Å; Y26-L30 HydrophobicContact CD2-CG 4.48Å; Y26-L30 HydrophobicContact CE1-CD1 3.61Å; Y26-L30 HydrophobicContact CE1-CG 4.39Å; Y26-L30 HydrophobicContact CE2-CD1 4.05Å; Y26-L30 HydrophobicContact CE2-CD2 4.21Å; Y26-L30 HydrophobicContact CE2-CG 3.96Å; Y26-L30 VanDerWaalsContact CZ-CD1 3.5Å; Y26-L30 WeakPolarHBondContact O-CG 3.41Å; Y26-L30 PolarHBondContact O-N 3.49Å
27L89Confident83.4Confident1 Ų163.8 Ų63.81%0.00536%0.359CS..Hα-helixtrans-65.3-45.9178.3-70.2172.7000111.1F7 L23 V24 G29 L30 L31 L56 M97F7-L27 HydrophobicContact CE2-CD2 3.91Å; F7-L27 HydrophobicContact CZ-CD2 4.18Å; L23-L27 HydrophobicContact CD1-CD1 4.22Å; L23-L27 HydrophobicContact CD1-CG 4.21Å; L23-L27 HydrophobicContact CG-CD1 4.07Å; L23-L27 HydrophobicContact CG-CG 4.47Å; L23-L27 VanDerWaalsContact O-CG 3.31Å; L23-L27 WeakPolarHBondContact O-CG 3.5Å; L23-L27 PolarHBondContact O-N 2.94Å; V24-L27 PolarHBondContact O-N 3.13Å; L27-G29 VanDerWaalsContact C-N 3.32Å; L27-G29 PolarHBondContact O-N 2.84Å; L27-L30 HydrophobicContact CD2-CD1 4.45Å; L27-L30 WeakPolarHBondContact O-CB 3.37Å; L27-L30 PolarHBondContact O-N 2.95Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 3Å; L27-L56 HydrophobicContact CD1-CB 3.97Å; L27-L56 WeakPolarHBondContact CD1-O 3.43Å; L27-M97 HydrophobicContact CB-CE 3.92Å; L27-M97 HydrophobicContact CB-SD 4.1Å; L27-M97 HydrophobicContact CD1-SD 3.81Å
28N87.1Confident83.6Confident57 Ų5762.9 Ų62.931%0.30536%0.355SS..Hα-helixtrans-58.4-44.6173.7-72.3-15.2000111.5V24 L30 L31 D32 M97V24-N28 WeakPolarHBondContact O-CB 3.34Å; V24-N28 PolarHBondContact O-N 2.89Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 2.78Å; N28-L31 WeakPolarHBondContact O-CA 3.41Å; N28-L31 WeakPolarHBondContact O-CB 3.39Å; N28-L31 PolarHBondContact O-N 2.91Å; N28-D32 PolarHBondContact O-N 3.09Å; N28-M97 WeakPolarHBondContact OD1-CE 3.38Å
29G87.1Confident83.7Confident25 Ų2561.8 Ų61.826%0.25834%0.342SS..Hα-helixtrans-60.2-34.7174.400000113.2T25 Y26 L27 N33T25-G29 PolarHBondContact O-N 2.89Å; Y26-G29 PolarHBondContact O-N 2.87Å; L27-G29 VanDerWaalsContact C-N 3.32Å; L27-G29 PolarHBondContact O-N 2.84Å; G29-N33 WeakPolarHBondContact O-CB 3.4Å; G29-N33 PolarHBondContact O-N 3.26Å; G29-N33 PolarHBondContact O-ND2 3Å
30L86.3Confident83.8Confident26 Ų2662.9 Ų62.914%0.13635%0.347CS..Hα-helixtrans-68.5-36.8173-75174.2000112.7F3 F7 Y26 L27 N28 D32 N33F3-L30 HydrophobicContact CE2-CD2 4Å; F7-L30 HydrophobicContact CD2-CD1 3.61Å; F7-L30 HydrophobicContact CE2-CD1 3.65Å; Y26-L30 HydrophobicContact CD1-CD1 4.25Å; Y26-L30 HydrophobicContact CD2-CG 4.48Å; Y26-L30 HydrophobicContact CE1-CD1 3.61Å; Y26-L30 HydrophobicContact CE1-CG 4.39Å; Y26-L30 HydrophobicContact CE2-CD1 4.05Å; Y26-L30 HydrophobicContact CE2-CD2 4.21Å; Y26-L30 HydrophobicContact CE2-CG 3.96Å; Y26-L30 VanDerWaalsContact CZ-CD1 3.5Å; Y26-L30 WeakPolarHBondContact O-CG 3.41Å; Y26-L30 PolarHBondContact O-N 3.49Å; L27-L30 HydrophobicContact CD2-CD1 4.45Å; L27-L30 WeakPolarHBondContact O-CB 3.37Å; L27-L30 PolarHBondContact O-N 2.95Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 2.78Å; L30-D32 VanDerWaalsContact C-N 3.3Å; L30-N33 PolarHBondContact O-N 3.47Å
31L84.8Confident84Confident17 Ų1760.9 Ų60.99%0.08934%0.339CS..Hα-helixtrans-65.1-36.4176.8-64170.5000111.3L27 N28 F63 L64 Y68 M97 T100L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 3Å; N28-L31 WeakPolarHBondContact O-CA 3.41Å; N28-L31 WeakPolarHBondContact O-CB 3.39Å; N28-L31 PolarHBondContact O-N 2.91Å; L31-F63 HydrophobicContact CD2-CB 4.21Å; L31-F63 HydrophobicContact CD2-CD1 3.23Å; L31-F63 HydrophobicContact CD2-CE1 3.75Å; L31-F63 HydrophobicContact CD2-CG 3.93Å; L31-F63 HydrophobicContact CG-CD1 4.45Å; L31-L64 HydrophobicContact CD2-CD2 3.7Å; L31-L64 HydrophobicContact CD2-CG 3.69Å; L31-Y68 PolarHBondContact O-OH 3.35Å; L31-M97 HydrophobicContact CD1-CE 4.25Å; L31-T100 HydrophobicContact CD1-CG2 3.56Å
32D83.5Confident84.2Confident136 Ų13656.7 Ų56.773%0.72731%0.312SS*.Hα-helixtrans-77.4-27.4179.5-64.4-26.9000113.5N28 L30 G34N28-D32 PolarHBondContact O-N 3.09Å; L30-D32 VanDerWaalsContact C-N 3.3Å; D32-G34 PolarHBondContact O-N 2.92Å
33N80.4Confident84.4Confident136 Ų13653.9 Ų53.973%0.72730%0.299SS*.THydrogen-bonded Turntrans-77.82.9-173.2-78.3-38.5000114.8G29 L30G29-N33 WeakPolarHBondContact O-CB 3.4Å; G29-N33 PolarHBondContact O-N 3.26Å; G29-N33 PolarHBondContact O-ND2 3Å; L30-N33 PolarHBondContact O-N 3.47Å
34G72.8Confident84.6Confident19 Ų1956.1 Ų56.120%0.19631%0.311CS..  trans88.6-172.5171.700000115.5D32 I36D32-G34 PolarHBondContact O-N 2.92Å; G34-I36 PolarHBondContact O-N 3.41Å
35P75Confident84.7Confident89 Ų8955.4 Ų55.458%0.57831%0.306SS*.  trans-68.1132.5-168.226.1-33.8000112.7E37 Y68P35-E37 PolarHBondContact O-N 3.44Å; P35-Y68 HydrophobicContact CB-CD1 3.67Å; P35-Y68 HydrophobicContact CB-CD2 4.46Å; P35-Y68 HydrophobicContact CB-CE1 4.34Å; P35-Y68 HydrophobicContact CB-CG 3.75Å; P35-Y68 HydrophobicContact CG-CD1 4.36Å
36I79Confident84.8Confident23 Ų2351 Ų5112%0.11828%0.279CS..  trans-72.2126.3169.1-66.4158.2000108.4F3 G34 N38 L42 L64 H69F3-I36 HydrophobicContact CD1-CG2 4.11Å; F3-I36 HydrophobicContact CE1-CD1 3.59Å; F3-I36 HydrophobicContact CE1-CG1 4.21Å; F3-I36 HydrophobicContact CE1-CG2 4.18Å; F3-I36 HydrophobicContact CE2-CD1 4.04Å; F3-I36 HydrophobicContact CE2-CG1 4.27Å; F3-I36 HydrophobicContact CZ-CD1 3.32Å; F3-I36 HydrophobicContact CZ-CG1 3.98Å; G34-I36 PolarHBondContact O-N 3.41Å; I36-N38 VanDerWaalsContact C-N 3.3Å; I36-N38 PolarHBondContact O-N 2.77Å; I36-L42 HydrophobicContact CD1-CD2 3.61Å; I36-L42 HydrophobicContact CD1-CG 4.35Å; I36-L64 HydrophobicContact CD1-CD1 3.84Å; I36-H69 PolarHBondContact O-CE1 2.88Å; I36-H69 VanDerWaalsContact O-CE1 3.25Å; I36-H69 PolarHBondContact O-NE2 3.3Å
37E77.3Confident84.9Confident193 Ų19354 Ų5490%0.90229%0.294SS*.SBendtrans-58-38.1-170.7-64.2-176.2165.600114P35P35-E37 PolarHBondContact O-N 3.44Å
38N83.3Confident84.9Confident74 Ų7457.2 Ų57.240%0.39631%0.307SS..  trans-109.9111.9-175.8-171.1-4.2000112.2I36 Q40 D41I36-N38 VanDerWaalsContact C-N 3.3Å; I36-N38 PolarHBondContact O-N 2.77Å; N38-Q40 PolarHBondContact O-N 3.36Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.44Å; N38-Q40 PolarHBondContact OD1-N 3.49Å; N38-D41 WeakPolarHBondContact O-CB 3.42Å; N38-D41 PolarHBondContact O-N 3.13Å
39P82.9Confident84.9Confident42 Ų4254.6 Ų54.627%0.27329%0.293SS..Hα-helixtrans-62.9-27.5177.423-31.6000113.3D41 L42 V43 H69 A72P39-D41 PolarHBondContact O-N 2.9Å; P39-L42 WeakPolarHBondContact O-CB 3.46Å; P39-L42 PolarHBondContact O-N 3Å; P39-V43 PolarHBondContact O-N 2.93Å; P39-H69 HydrophobicContact CB-CB 4.25Å; P39-A72 HydrophobicContact CB-CB 4.44Å
40Q87.4Confident84.9Confident96 Ų9656.4 Ų56.445%0.44929%0.293SS..Hα-helixtrans-66.1-29.1179.2-170.559.140.200111.8N38 L42 V43 D44N38-Q40 PolarHBondContact O-N 3.36Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.44Å; N38-Q40 PolarHBondContact OD1-N 3.49Å; Q40-L42 PolarHBondContact O-N 3.43Å; Q40-V43 WeakPolarHBondContact O-CB 3.47Å; Q40-V43 PolarHBondContact O-N 3.42Å; Q40-V43 VanDerWaalsContact O-N 3.16Å; Q40-D44 PolarHBondContact NE2-OD1 3.22Å; Q40-D44 PolarHBondContact O-N 3.14Å
41D87.2Confident84.8Confident21 Ų2163 Ų6311%0.11232%0.324CS..Hα-helixtrans-62.3-35.4177.1-77.8-24.7000111.2F3 R4 N38 P39 L45F3-D41 HydrophobicContact CD1-CB 4.46Å; R4-D41 WeakPolarHBondContact CD-OD1 3.19Å; R4-D41 HydrophobicContact CG-CB 3.76Å; N38-D41 WeakPolarHBondContact O-CB 3.42Å; N38-D41 PolarHBondContact O-N 3.13Å; P39-D41 PolarHBondContact O-N 2.9Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 VanDerWaalsContact O-CG 3.22Å; D41-L45 WeakPolarHBondContact O-CG 3.36Å; D41-L45 PolarHBondContact O-N 3.29Å
42L88.3Confident84.5Confident1 Ų167.9 Ų67.91%0.00534%0.341CS..Hα-helixtrans-70.2-37.5175.9-63.3175.6000112.4I36 P39 Q40 W46 I61 L64 R65I36-L42 HydrophobicContact CD1-CD2 3.61Å; I36-L42 HydrophobicContact CD1-CG 4.35Å; P39-L42 WeakPolarHBondContact O-CB 3.46Å; P39-L42 PolarHBondContact O-N 3Å; Q40-L42 PolarHBondContact O-N 3.43Å; L42-W46 WeakPolarHBondContact O-CB 3.41Å; L42-W46 PolarHBondContact O-N 3Å; L42-I61 HydrophobicContact CB-CG2 4.37Å; L42-I61 HydrophobicContact CD2-CD1 3.62Å; L42-I61 HydrophobicContact CD2-CG2 4.23Å; L42-L64 HydrophobicContact CD1-CB 4.43Å; L42-L64 HydrophobicContact CD2-CB 4.46Å; L42-R65 HydrophobicContact CB-CB 4.43Å; L42-R65 HydrophobicContact CB-CG 4.29Å; L42-R65 HydrophobicContact CD1-CB 3.75Å; L42-R65 HydrophobicContact CD1-CG 3.88Å
43V90.3Very high84.2Confident28 Ų2867.8 Ų67.817%0.1734%0.336CS..Hα-helixtrans-60.5-47.5175.2-179.90000110.4P39 Q40 W46 Q47P39-V43 PolarHBondContact O-N 2.93Å; Q40-V43 WeakPolarHBondContact O-CB 3.47Å; Q40-V43 PolarHBondContact O-N 3.42Å; Q40-V43 VanDerWaalsContact O-N 3.16Å; V43-W46 WeakPolarHBondContact O-CB 3.41Å; V43-W46 PolarHBondContact O-N 3.39Å; V43-Q47 WeakPolarHBondContact O-CG 3.47Å; V43-Q47 PolarHBondContact O-N 2.97Å
44D89.5Confident84.3Confident50 Ų5062.7 Ų62.727%0.26731%0.311SS..Hα-helixtrans-69.3-39.3-176.9-66.7-3.6000111.4R4 Q40 W46 Q47 Y48R4-D44 IonicContact CZ-OD2 3.38Å; R4-D44 IonicContact NH1-OD2 2.64Å; R4-D44 PolarHBondContact NH1-OD2 3.09Å; R4-D44 IonicContact NH2-OD2 3.77Å; Q40-D44 PolarHBondContact NE2-OD1 3.22Å; Q40-D44 PolarHBondContact O-N 3.14Å; D44-W46 VanDerWaalsContact C-N 3.33Å; D44-Q47 PolarHBondContact O-N 3.39Å; D44-Y48 PolarHBondContact O-N 2.96Å; D44-Y48 VanDerWaalsContact O-N 3.07Å
45L90.1Very high85.1Confident2 Ų262.5 Ų62.51%0.0131%0.306CS..Hα-helixtrans-62.1-41.5172.4-74.2173.9000111.6F3 R4 F7 V8 D41 Y48 L49 I61F3-L45 HydrophobicContact CD1-CD1 4.29Å; F3-L45 HydrophobicContact CE1-CD1 3.65Å; F3-L45 HydrophobicContact CZ-CD1 4.48Å; R4-L45 HydrophobicContact CB-CD2 4.16Å; R4-L45 HydrophobicContact CB-CG 4.46Å; R4-L45 HydrophobicContact CG-CD1 4.17Å; R4-L45 HydrophobicContact CG-CD2 4.22Å; R4-L45 HydrophobicContact CG-CG 3.98Å; F7-L45 HydrophobicContact CB-CD1 4.42Å; F7-L45 HydrophobicContact CD1-CD1 3.97Å; F7-L45 HydrophobicContact CD1-CD2 3.8Å; F7-L45 HydrophobicContact CD1-CG 4.46Å; F7-L45 HydrophobicContact CE1-CD1 4.47Å; F7-L45 HydrophobicContact CE1-CD2 4.47Å; F7-L45 HydrophobicContact CG-CD1 4.18Å; V8-L45 HydrophobicContact CG2-CD2 3.58Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 VanDerWaalsContact O-CG 3.22Å; D41-L45 WeakPolarHBondContact O-CG 3.36Å; D41-L45 PolarHBondContact O-N 3.29Å; L45-Y48 WeakPolarHBondContact O-CB 3.43Å; L45-Y48 PolarHBondContact O-N 3.33Å; L45-L49 WeakPolarHBondContact O-CB 3.3Å; L45-L49 VanDerWaalsContact O-CG 3.23Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 2.76Å; L45-I61 HydrophobicContact CB-CD1 4.23Å; L45-I61 HydrophobicContact CD1-CD1 3.77Å
46W90.8Very high85.8Confident2 Ų258.5 Ų58.51%0.00828%0.28CS..Hα-helixtrans-58.2-51.8175.7-177.3-102.8000111.4L42 V43 D44 Y48 L49 K50 M58 I61 L62 W81 Y84 F85L42-W46 WeakPolarHBondContact O-CB 3.41Å; L42-W46 PolarHBondContact O-N 3Å; V43-W46 WeakPolarHBondContact O-CB 3.41Å; V43-W46 PolarHBondContact O-N 3.39Å; D44-W46 VanDerWaalsContact C-N 3.33Å; W46-Y48 VanDerWaalsContact C-N 3.26Å; W46-Y48 PolarHBondContact O-N 3Å; W46-L49 PolarHBondContact O-N 2.95Å; W46-K50 WeakPolarHBondContact O-CG 3.46Å; W46-K50 PolarHBondContact O-N 2.95Å; W46-M58 HydrophobicContact CE3-CE 4.46Å; W46-M58 HydrophobicContact CH2-CB 4.5Å; W46-M58 HydrophobicContact CH2-CE 3.61Å; W46-M58 HydrophobicContact CZ2-CE 3.82Å; W46-M58 HydrophobicContact CZ3-CB 3.92Å; W46-M58 HydrophobicContact CZ3-CE 3.93Å; W46-M58 HydrophobicContact CZ3-CG 4.22Å; W46-M58 WeakPolarHBondContact CZ3-O 3.41Å; W46-I61 HydrophobicContact CB-CG2 4.41Å; W46-I61 HydrophobicContact CE3-CG2 4.14Å; W46-L62 HydrophobicContact CH2-CB 4.22Å; W46-L62 HydrophobicContact CH2-CD1 4.49Å; W46-L62 HydrophobicContact CH2-CD2 4.32Å; W46-L62 HydrophobicContact CZ3-CB 3.82Å; W46-W81 HydrophobicContact CB-CE3 4.46Å; W46-W81 HydrophobicContact CB-CH2 3.16Å; W46-W81 HydrophobicContact CB-CZ2 3.47Å; W46-W81 VanDerWaalsContact CB-CZ2 3.47Å; W46-W81 HydrophobicContact CB-CZ3 3.73Å; W46-W81 AromaticContact CD1-CD2 3.81Å; W46-W81 AromaticContact CD1-CE2 3.35Å; W46-W81 AromaticContact CD1-CH2 3.88Å; W46-W81 AromaticContact CD1-CZ2 3.34Å; W46-W81 AromaticContact CD1-NE1 3.79Å; W46-W81 AromaticContact CD2-CD2 3.79Å; W46-W81 HydrophobicContact CD2-CD2 3.79Å; W46-W81 AromaticContact CD2-CE3 3.54Å; W46-W81 HydrophobicContact CD2-CE3 3.54Å; W46-W81 AromaticContact CD2-CH2 3.9Å; W46-W81 HydrophobicContact CD2-CH2 3.9Å; W46-W81 HydrophobicContact CD2-CZ2 4.09Å; W46-W81 AromaticContact CD2-CZ3 3.62Å; W46-W81 HydrophobicContact CD2-CZ3 3.62Å; W46-W81 AromaticContact CE2-CD2 3.58Å; W46-W81 AromaticContact CE2-CE2 3.99Å; W46-W81 AromaticContact CE2-CE3 3.75Å; W46-W81 AromaticContact CE2-CG 3.87Å; W46-W81 HydrophobicContact CE3-CD2 4.44Å; W46-W81 AromaticContact CE3-CE3 3.77Å; W46-W81 HydrophobicContact CE3-CE3 3.77Å; W46-W81 HydrophobicContact CE3-CH2 4.38Å; W46-W81 AromaticContact CE3-CZ3 3.76Å; W46-W81 HydrophobicContact CE3-CZ3 3.76Å; W46-W81 AromaticContact CG-CD2 3.93Å; W46-W81 HydrophobicContact CG-CD2 3.93Å; W46-W81 AromaticContact CG-CE2 3.68Å; W46-W81 AromaticContact CG-CE3 3.88Å; W46-W81 HydrophobicContact CG-CE3 3.88Å; W46-W81 AromaticContact CG-CH2 3.37Å; W46-W81 HydrophobicContact CG-CH2 3.37Å; W46-W81 AromaticContact CG-CZ2 3.35Å; W46-W81 HydrophobicContact CG-CZ2 3.35Å; W46-W81 AromaticContact CG-CZ3 3.64Å; W46-W81 HydrophobicContact CG-CZ3 3.64Å; W46-W81 HydrophobicContact CH2-CE3 4.31Å; W46-W81 HydrophobicContact CZ2-CB 3.94Å; W46-W81 HydrophobicContact CZ2-CD2 4.06Å; W46-W81 HydrophobicContact CZ2-CE3 4.14Å; W46-W81 HydrophobicContact CZ2-CG 4.02Å; W46-W81 WeakPolarHBondContact CZ2-O 3.37Å; W46-W81 HydrophobicContact CZ3-CE3 4.16Å; W46-W81 HydrophobicContact CZ3-CZ3 4.5Å; W46-W81 AromaticContact NE1-CD1 3.88Å; W46-W81 AromaticContact NE1-CD2 3.57Å; W46-W81 AromaticContact NE1-CE2 3.52Å; W46-W81 AromaticContact NE1-CG 3.77Å; W46-W81 AromaticContact NE1-NE1 3.73Å; W46-Y84 HydrophobicContact CZ2-CD1 4.04Å; W46-F85 HydrophobicContact CH2-CB 4.08Å
47Q91Very high86.4Confident95 Ų9557.6 Ų57.644%0.44428%0.275SS..Hα-helixtrans-59-38.4179.1-64.3-59.8-19.200112.6V43 D44V43-Q47 WeakPolarHBondContact O-CG 3.47Å; V43-Q47 PolarHBondContact O-N 2.97Å; D44-Q47 PolarHBondContact O-N 3.39Å
48Y89.3Confident87.1Confident69 Ų6948.6 Ų48.627%0.27123%0.233SC..Hα-helixtrans-63.3-43.8173.7175.9-98.1000112.4V8 D44 L45 W46 Q51 R52V8-Y48 HydrophobicContact CG1-CE1 3.77Å; V8-Y48 HydrophobicContact CG2-CD1 4.1Å; V8-Y48 HydrophobicContact CG2-CE1 3.99Å; D44-Y48 PolarHBondContact O-N 2.96Å; D44-Y48 VanDerWaalsContact O-N 3.07Å; L45-Y48 WeakPolarHBondContact O-CB 3.43Å; L45-Y48 PolarHBondContact O-N 3.33Å; W46-Y48 VanDerWaalsContact C-N 3.26Å; W46-Y48 PolarHBondContact O-N 3Å; Y48-Q51 PolarHBondContact O-N 3.27Å; Y48-R52 PolarHBondContact OH-NE 3.33Å; Y48-R52 VanDerWaalsContact OH-NE 3.13Å; Y48-R52 PolarHBondContact OH-NH2 2.99Å
49L87.5Confident87.6Confident3 Ų345 Ų452%0.01621%0.214CC..Hα-helixtrans-69.3-34.2-179.2-69.7171.5000112.7F7 L45 W46 Q51 R52 E53 P57 M58 I61F7-L49 HydrophobicContact CE1-CD1 4.37Å; L45-L49 WeakPolarHBondContact O-CB 3.3Å; L45-L49 VanDerWaalsContact O-CG 3.23Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 2.76Å; W46-L49 PolarHBondContact O-N 2.95Å; L49-Q51 PolarHBondContact O-N 3.32Å; L49-R52 PolarHBondContact O-N 3.2Å; L49-E53 PolarHBondContact O-N 2.86Å; L49-P57 HydrophobicContact CD1-CB 3.81Å; L49-P57 HydrophobicContact CD2-CB 3.73Å; L49-P57 HydrophobicContact CD2-CG 4.37Å; L49-P57 HydrophobicContact CG-CB 4.44Å; L49-M58 HydrophobicContact CB-CG 3.71Å; L49-M58 HydrophobicContact CD1-CG 4.14Å; L49-I61 HydrophobicContact CD1-CB 4.47Å; L49-I61 HydrophobicContact CD1-CG1 3.9Å
50K87Confident87.9Confident62 Ų6243.1 Ų43.127%0.2720%0.202SC..Hα-helixtrans-53.8-37.9174.1-66.9-172.475.71780112.2W46 R52 Y84W46-K50 WeakPolarHBondContact O-CG 3.46Å; W46-K50 PolarHBondContact O-N 2.95Å; K50-R52 VanDerWaalsContact C-N 3.26Å; K50-R52 PolarHBondContact O-N 3.3Å; K50-Y84 HydrophobicContact CB-CE1 3.91Å; K50-Y84 WeakPolarHBondContact CB-OH 3.4Å; K50-Y84 HydrophobicContact CD-CD1 4.23Å; K50-Y84 HydrophobicContact CD-CE1 3.99Å; K50-Y84 VanDerWaalsContact CE-CD2 3.45Å; K50-Y84 VanDerWaalsContact CE-CE1 3.43Å; K50-Y84 HydrophobicContact CG-CD1 4.02Å; K50-Y84 HydrophobicContact CG-CE1 3.44Å; K50-Y84 VanDerWaalsContact CG-CE1 3.44Å; K50-Y84 PolarHBondContact O-OH 3.39Å; K50-Y84 VanDerWaalsContact O-OH 3.11Å
51Q83.3Confident88.1Confident166 Ų16638.5 Ų38.578%0.77618%0.181SC*.THydrogen-bonded Turntrans-74.3-16.5-179.2-63.2178.12.800113.6Y48 L49Y48-Q51 PolarHBondContact O-N 3.27Å; L49-Q51 PolarHBondContact O-N 3.32Å
52R79.4Confident88.4Confident118 Ų11837.5 Ų37.545%0.44518%0.175SC..THydrogen-bonded Turntrans-111.5-6.4-175-70.2-169.2165.5-140.5-1.8114.1Y48 L49 K50 S54Y48-R52 PolarHBondContact OH-NE 3.33Å; Y48-R52 VanDerWaalsContact OH-NE 3.13Å; Y48-R52 PolarHBondContact OH-NH2 2.99Å; L49-R52 PolarHBondContact O-N 3.2Å; K50-R52 VanDerWaalsContact C-N 3.26Å; K50-R52 PolarHBondContact O-N 3.3Å; R52-S54 PolarHBondContact O-N 3.2Å
53E75.5Confident88.7Confident135 Ų13538.4 Ų38.463%0.63118%0.179SC*.THydrogen-bonded Turntrans5532.6178.8-58.7-177.8166.600113.9L49 T55L49-E53 PolarHBondContact O-N 2.86Å; E53-T55 PolarHBondContact O-N 3.16Å
54S83.5Confident88.7Confident28 Ų2837.2 Ų37.220%0.19617%0.172CC..  trans-81.3103.2-179.4-66.70000111.8R52 M58R52-S54 PolarHBondContact O-N 3.2Å; S54-M58 WeakPolarHBondContact O-CB 3.46Å; S54-M58 WeakPolarHBondContact O-CG 3.44Å; S54-M58 PolarHBondContact O-N 3.26Å
55T89.8Confident88.7Confident15 Ų1535.3 Ų35.39%0.09216%0.161CC..Hα-helixtrans-61.4-54.2-175.2-62.10000114.4E53 M58 L59 F85 F89 N90 M93 V94E53-T55 PolarHBondContact O-N 3.16Å; T55-M58 WeakPolarHBondContact O-CB 3.43Å; T55-M58 PolarHBondContact O-N 3.29Å; T55-L59 PolarHBondContact O-N 2.96Å; T55-F85 HydrophobicContact CG2-CE2 4.36Å; T55-F89 HydrophobicContact CG2-CB 3.82Å; T55-N90 PolarHBondContact OG1-N 3.35Å; T55-M93 HydrophobicContact CG2-CB 4.1Å; T55-V94 HydrophobicContact CG2-CG2 3.56Å
56L90.3Very high88.8Confident6 Ų635.5 Ų35.53%0.03116%0.162CC..Hα-helixtrans-62.1-49.1-174.3-75.1176.4000113.3F20 L23 V24 L27 M58 L59 G60 M93 L96 M97F20-L56 HydrophobicContact CD1-CD1 4.36Å; L23-L56 HydrophobicContact CD2-CB 4.11Å; L23-L56 HydrophobicContact CD2-CD1 4.08Å; V24-L56 HydrophobicContact CG2-CD1 4.06Å; L27-L56 HydrophobicContact CD1-CB 3.97Å; L27-L56 WeakPolarHBondContact CD1-O 3.43Å; L56-M58 VanDerWaalsContact C-N 3.27Å; L56-M58 PolarHBondContact O-N 3.03Å; L56-L59 WeakPolarHBondContact O-CB 3.32Å; L56-L59 PolarHBondContact O-N 3.38Å; L56-G60 PolarHBondContact O-N 2.85Å; L56-G60 VanDerWaalsContact O-N 3.08Å; L56-M93 VanDerWaalsContact CD2-O 3.22Å; L56-M93 WeakPolarHBondContact CD2-O 3.4Å; L56-M93 HydrophobicContact CG-CB 4.34Å; L56-L96 HydrophobicContact CD1-CD1 4.15Å; L56-M97 HydrophobicContact CD2-CB 4.3Å; L56-M97 HydrophobicContact CD2-CG 3.89Å; L56-M97 HydrophobicContact CD2-SD 3.78Å
57P90.8Very high88.8Confident3 Ų337.8 Ų37.82%0.01918%0.176CC..Hα-helixtrans-62.3-34.8175.8-22.634.4000112.8F7 V11 L23 L49 G60 I61F7-P57 HydrophobicContact CE1-CB 4.27Å; F7-P57 HydrophobicContact CZ-CB 4.02Å; V11-P57 HydrophobicContact CB-CG 4.48Å; V11-P57 HydrophobicContact CG1-CB 4.16Å; V11-P57 HydrophobicContact CG1-CG 3.46Å; V11-P57 VanDerWaalsContact CG1-CG 3.46Å; V11-P57 HydrophobicContact CG2-CB 4.26Å; V11-P57 HydrophobicContact CG2-CG 4.12Å; L23-P57 HydrophobicContact CD2-CG 4.37Å; L49-P57 HydrophobicContact CD1-CB 3.81Å; L49-P57 HydrophobicContact CD2-CB 3.73Å; L49-P57 HydrophobicContact CD2-CG 4.37Å; L49-P57 HydrophobicContact CG-CB 4.44Å; P57-G60 PolarHBondContact O-N 3.02Å; P57-I61 WeakPolarHBondContact O-CB 3.26Å; P57-I61 VanDerWaalsContact O-CG1 3.26Å; P57-I61 WeakPolarHBondContact O-CG1 3.49Å; P57-I61 PolarHBondContact O-N 2.88Å
58M92.1Very high88.6Confident4 Ų436.8 Ų36.82%0.0217%0.169CC..Hα-helixtrans-63.9-44.4175.3-76178.873.100111.4W46 L49 S54 T55 L56 G60 I61 L62 Y84 F85W46-M58 HydrophobicContact CE3-CE 4.46Å; W46-M58 HydrophobicContact CH2-CB 4.5Å; W46-M58 HydrophobicContact CH2-CE 3.61Å; W46-M58 HydrophobicContact CZ2-CE 3.82Å; W46-M58 HydrophobicContact CZ3-CB 3.92Å; W46-M58 HydrophobicContact CZ3-CE 3.93Å; W46-M58 HydrophobicContact CZ3-CG 4.22Å; W46-M58 WeakPolarHBondContact CZ3-O 3.41Å; L49-M58 HydrophobicContact CB-CG 3.71Å; L49-M58 HydrophobicContact CD1-CG 4.14Å; S54-M58 WeakPolarHBondContact O-CB 3.46Å; S54-M58 WeakPolarHBondContact O-CG 3.44Å; S54-M58 PolarHBondContact O-N 3.26Å; T55-M58 WeakPolarHBondContact O-CB 3.43Å; T55-M58 PolarHBondContact O-N 3.29Å; L56-M58 VanDerWaalsContact C-N 3.27Å; L56-M58 PolarHBondContact O-N 3.03Å; M58-G60 VanDerWaalsContact C-N 3.34Å; M58-G60 PolarHBondContact O-N 3.44Å; M58-I61 PolarHBondContact O-N 2.92Å; M58-L62 VanDerWaalsContact O-CB 3.26Å; M58-L62 WeakPolarHBondContact O-CB 3.27Å; M58-L62 PolarHBondContact O-N 3.26Å; M58-Y84 HydrophobicContact CE-CD1 3.51Å; M58-Y84 HydrophobicContact CE-CE1 3.41Å; M58-Y84 VanDerWaalsContact CE-CE1 3.41Å; M58-Y84 HydrophobicContact SD-CE1 4.46Å; M58-F85 HydrophobicContact CB-CD2 4.07Å; M58-F85 HydrophobicContact CB-CE2 4.25Å
59L92.8Very high88.4Confident0 Ų034.7 Ų34.70%016%0.161CC..Hα-helixtrans-56.1-50175.1176.758.7000111T55 L56 I61 L62 F63 F85 V94 M97 T100 Y101 L104T55-L59 PolarHBondContact O-N 2.96Å; L56-L59 WeakPolarHBondContact O-CB 3.32Å; L56-L59 PolarHBondContact O-N 3.38Å; L59-I61 PolarHBondContact O-N 2.89Å; L59-L62 PolarHBondContact O-N 3.34Å; L59-F63 WeakPolarHBondContact O-CB 3.34Å; L59-F63 PolarHBondContact O-N 3.44Å; L59-F85 HydrophobicContact CB-CE2 3.99Å; L59-F85 HydrophobicContact CB-CZ 3.85Å; L59-F85 HydrophobicContact CD1-CE1 4.15Å; L59-F85 HydrophobicContact CD1-CZ 3.87Å; L59-F85 HydrophobicContact CG-CZ 4.36Å; L59-V94 HydrophobicContact CD2-CG1 4.44Å; L59-M97 HydrophobicContact CD2-CB 4.01Å; L59-T100 HydrophobicContact CG-CG2 4.32Å; L59-Y101 HydrophobicContact CD1-CD2 4.15Å; L59-L104 HydrophobicContact CD1-CD2 3.67Å
60G91.1Very high88.2Confident1 Ų135.9 Ų35.91%0.0117%0.172CC..Hα-helixtrans-61.3-44.9179.200000113.3L56 P57 M58 F63 L64L56-G60 PolarHBondContact O-N 2.85Å; L56-G60 VanDerWaalsContact O-N 3.08Å; P57-G60 PolarHBondContact O-N 3.02Å; M58-G60 VanDerWaalsContact C-N 3.34Å; M58-G60 PolarHBondContact O-N 3.44Å; G60-F63 PolarHBondContact O-N 3.27Å; G60-L64 WeakPolarHBondContact O-CB 3.41Å; G60-L64 VanDerWaalsContact O-CG 3.23Å; G60-L64 WeakPolarHBondContact O-CG 3.38Å; G60-L64 PolarHBondContact O-N 3.38Å
61I91.6Very high88.1Confident0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-67.2-41.4179.2-67.9-66.3000111.9F7 L42 L45 W46 L49 P57 M58 L59 L64 R65 W81F7-I61 HydrophobicContact CE1-CD1 4.11Å; F7-I61 HydrophobicContact CE1-CG1 4.15Å; F7-I61 HydrophobicContact CE2-CD1 4.06Å; F7-I61 HydrophobicContact CE2-CG1 4.5Å; F7-I61 HydrophobicContact CZ-CD1 3.75Å; F7-I61 HydrophobicContact CZ-CG1 3.78Å; L42-I61 HydrophobicContact CB-CG2 4.37Å; L42-I61 HydrophobicContact CD2-CD1 3.62Å; L42-I61 HydrophobicContact CD2-CG2 4.23Å; L45-I61 HydrophobicContact CB-CD1 4.23Å; L45-I61 HydrophobicContact CD1-CD1 3.77Å; W46-I61 HydrophobicContact CB-CG2 4.41Å; W46-I61 HydrophobicContact CE3-CG2 4.14Å; L49-I61 HydrophobicContact CD1-CB 4.47Å; L49-I61 HydrophobicContact CD1-CG1 3.9Å; P57-I61 WeakPolarHBondContact O-CB 3.26Å; P57-I61 VanDerWaalsContact O-CG1 3.26Å; P57-I61 WeakPolarHBondContact O-CG1 3.49Å; P57-I61 PolarHBondContact O-N 2.88Å; M58-I61 PolarHBondContact O-N 2.92Å; L59-I61 PolarHBondContact O-N 2.89Å; I61-L64 HydrophobicContact CD1-CD1 4.49Å; I61-R65 WeakPolarHBondContact O-CB 2.97Å; I61-R65 PolarHBondContact O-N 3.32Å; I61-W81 HydrophobicContact CG2-CZ3 4.29Å
62L93.4Very high88.2Confident0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-61.4-47.1176.1179.658.1000110.5W46 M58 L59 R65 I66 W81 F85 L104W46-L62 HydrophobicContact CH2-CB 4.22Å; W46-L62 HydrophobicContact CH2-CD1 4.49Å; W46-L62 HydrophobicContact CH2-CD2 4.32Å; W46-L62 HydrophobicContact CZ3-CB 3.82Å; M58-L62 VanDerWaalsContact O-CB 3.26Å; M58-L62 WeakPolarHBondContact O-CB 3.27Å; M58-L62 PolarHBondContact O-N 3.26Å; L59-L62 PolarHBondContact O-N 3.34Å; L62-R65 PolarHBondContact O-N 2.86Å; L62-I66 HydrophobicContact CD1-CD1 3.61Å; L62-I66 HydrophobicContact CD1-CG1 4.39Å; L62-I66 HydrophobicContact CG-CD1 3.86Å; L62-I66 WeakPolarHBondContact O-CD1 3.38Å; L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.29Å; L62-W81 HydrophobicContact CD1-CB 3.95Å; L62-W81 HydrophobicContact CD1-CE3 3.93Å; L62-F85 HydrophobicContact CD2-CB 3.99Å; L62-F85 HydrophobicContact CD2-CD1 4.09Å; L62-F85 HydrophobicContact CD2-CG 4.05Å; L62-L104 HydrophobicContact CD2-CD1 4.24Å; L62-L104 HydrophobicContact CD2-CD2 3.73Å; L62-L104 HydrophobicContact CG-CD1 3.88Å; L62-L104 HydrophobicContact CG-CD2 4.18Å
63F92.8Very high88.3Confident20 Ų2028.5 Ų28.59%0.08816%0.16CC..Hα-helixtrans-58.5-56.3176.1-172.5-76.5000111.5L31 L59 G60 R65 I66 T67 T100 D103 L104 Q107L31-F63 HydrophobicContact CD2-CB 4.21Å; L31-F63 HydrophobicContact CD2-CD1 3.23Å; L31-F63 HydrophobicContact CD2-CE1 3.75Å; L31-F63 HydrophobicContact CD2-CG 3.93Å; L31-F63 HydrophobicContact CG-CD1 4.45Å; L59-F63 WeakPolarHBondContact O-CB 3.34Å; L59-F63 PolarHBondContact O-N 3.44Å; G60-F63 PolarHBondContact O-N 3.27Å; F63-R65 PolarHBondContact O-N 2.93Å; F63-R65 VanDerWaalsContact O-N 3.15Å; F63-I66 PolarHBondContact O-N 3.49Å; F63-T67 VanDerWaalsContact CD1-OG1 3.23Å; F63-T67 WeakPolarHBondContact CD1-OG1 3.44Å; F63-T67 HydrophobicContact CE1-CG2 4.42Å; F63-T67 WeakPolarHBondContact CE1-OG1 3.49Å; F63-T67 PolarHBondContact O-N 3.43Å; F63-T67 PolarHBondContact O-OG1 3.09Å; F63-T100 HydrophobicContact CB-CG2 4.14Å; F63-T100 HydrophobicContact CD2-CG2 3.59Å; F63-T100 WeakPolarHBondContact CD2-O 3.47Å; F63-T100 HydrophobicContact CE2-CG2 4.08Å; F63-T100 HydrophobicContact CG-CG2 3.89Å; F63-D103 HydrophobicContact CE2-CB 3.52Å; F63-D103 HydrophobicContact CZ-CB 4.09Å; F63-L104 HydrophobicContact CD2-CB 3.91Å; F63-Q107 VanDerWaalsContact CE2-NE2 3.31Å
64L90.5Very high89Confident2 Ų225.4 Ų25.41%0.0115%0.15CC..Hα-helixtrans-52.5-42.4179.9-76.5167000112L31 I36 L42 G60 I61 Y68L31-L64 HydrophobicContact CD2-CD2 3.7Å; L31-L64 HydrophobicContact CD2-CG 3.69Å; I36-L64 HydrophobicContact CD1-CD1 3.84Å; L42-L64 HydrophobicContact CD1-CB 4.43Å; L42-L64 HydrophobicContact CD2-CB 4.46Å; G60-L64 WeakPolarHBondContact O-CB 3.41Å; G60-L64 VanDerWaalsContact O-CG 3.23Å; G60-L64 WeakPolarHBondContact O-CG 3.38Å; G60-L64 PolarHBondContact O-N 3.38Å; I61-L64 HydrophobicContact CD1-CD1 4.49Å; L64-Y68 HydrophobicContact CD2-CD2 3.91Å; L64-Y68 HydrophobicContact CD2-CE2 3.66Å; L64-Y68 WeakPolarHBondContact O-CB 3.46Å; L64-Y68 WeakPolarHBondContact O-CD2 3.22Å; L64-Y68 PolarHBondContact O-N 3.32Å
65R90.5Very high89.3Confident11 Ų1124.9 Ų24.94%0.04215%0.146CC..Hα-helixtrans-70.7-36.9-178.8-158.8179.8164.6-166-3.8111.8L42 I61 L62 F63 H69 A70 F73 E77 W81L42-R65 HydrophobicContact CB-CB 4.43Å; L42-R65 HydrophobicContact CB-CG 4.29Å; L42-R65 HydrophobicContact CD1-CB 3.75Å; L42-R65 HydrophobicContact CD1-CG 3.88Å; I61-R65 WeakPolarHBondContact O-CB 2.97Å; I61-R65 PolarHBondContact O-N 3.32Å; L62-R65 PolarHBondContact O-N 2.86Å; F63-R65 PolarHBondContact O-N 2.93Å; F63-R65 VanDerWaalsContact O-N 3.15Å; R65-H69 HydrophobicContact CG-CB 4.15Å; R65-H69 CarbonylContact O-C 3.47Å; R65-H69 WeakPolarHBondContact O-CA 3.43Å; R65-H69 WeakPolarHBondContact O-CB 3.43Å; R65-H69 PolarHBondContact O-N 3.18Å; R65-A70 PolarHBondContact O-N 2.88Å; R65-F73 HydrophobicContact CB-CE2 3.56Å; R65-F73 HydrophobicContact CB-CZ 4.04Å; R65-F73 HydrophobicContact CG-CD2 3.96Å; R65-F73 HydrophobicContact CG-CE2 3.22Å; R65-F73 HydrophobicContact CG-CZ 3.77Å; R65-E77 IonicContact NH2-OE2 2.72Å; R65-E77 PolarHBondContact NH2-OE2 3.45Å; R65-W81 HydrophobicContact CB-CZ3 4.42Å
66I91.2Very high89.5Confident5 Ų528.4 Ų28.43%0.02616%0.164CC..Hα-helixtrans-71.3-45176.4-72.3159.6000110.6L62 F63 A70 F73 L78 L104 Q107 V108L62-I66 HydrophobicContact CD1-CD1 3.61Å; L62-I66 HydrophobicContact CD1-CG1 4.39Å; L62-I66 HydrophobicContact CG-CD1 3.86Å; L62-I66 WeakPolarHBondContact O-CD1 3.38Å; L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.29Å; F63-I66 PolarHBondContact O-N 3.49Å; I66-A70 VanDerWaalsContact O-CB 3.26Å; I66-A70 WeakPolarHBondContact O-CB 3.41Å; I66-A70 PolarHBondContact O-N 2.95Å; I66-F73 HydrophobicContact CG1-CD2 4.48Å; I66-F73 HydrophobicContact CG1-CE2 3.96Å; I66-L78 HydrophobicContact CD1-CD1 3.6Å; I66-L78 HydrophobicContact CG1-CD1 3.63Å; I66-L104 HydrophobicContact CD1-CD1 3.34Å; I66-Q107 HydrophobicContact CG2-CB 3.82Å; I66-V108 HydrophobicContact CD1-CG2 3.63Å
67T90.5Very high89.6Confident50 Ų5031.5 Ų31.531%0.30718%0.179SC..Hα-helixtrans-65.2-46.9-177.6-51.90000112.6F63 Q107F63-T67 VanDerWaalsContact CD1-OG1 3.23Å; F63-T67 WeakPolarHBondContact CD1-OG1 3.44Å; F63-T67 HydrophobicContact CE1-CG2 4.42Å; F63-T67 WeakPolarHBondContact CE1-OG1 3.49Å; F63-T67 PolarHBondContact O-N 3.43Å; F63-T67 PolarHBondContact O-OG1 3.09Å; T67-Q107 VanDerWaalsContact CB-OE1 3.24Å; T67-Q107 VanDerWaalsContact OG1-CD 3.27Å; T67-Q107 PolarHBondContact OG1-NE2 3.39Å; T67-Q107 VanDerWaalsContact OG1-NE2 3.13Å; T67-Q107 PolarHBondContact OG1-OE1 2.9Å
68Y87.8Confident89.7Confident75 Ų7531.4 Ų31.429%0.29418%0.178SC..Hα-helixtrans-102.1-23-170.8-61.7-59.2000114.1L31 P35 L64L31-Y68 PolarHBondContact O-OH 3.35Å; P35-Y68 HydrophobicContact CB-CD1 3.67Å; P35-Y68 HydrophobicContact CB-CD2 4.46Å; P35-Y68 HydrophobicContact CB-CE1 4.34Å; P35-Y68 HydrophobicContact CB-CG 3.75Å; P35-Y68 HydrophobicContact CG-CD1 4.36Å; L64-Y68 HydrophobicContact CD2-CD2 3.91Å; L64-Y68 HydrophobicContact CD2-CE2 3.66Å; L64-Y68 WeakPolarHBondContact O-CB 3.46Å; L64-Y68 WeakPolarHBondContact O-CD2 3.22Å; L64-Y68 PolarHBondContact O-N 3.32Å
69H86Confident89.9Confident25 Ų2532.1 Ų32.112%0.11618%0.182CC..Hα-helixtrans-128.831.9-173.4-63.7-74.7000112.1I36 P39 R65 T71 A72 F73I36-H69 PolarHBondContact O-CE1 2.88Å; I36-H69 VanDerWaalsContact O-CE1 3.25Å; I36-H69 PolarHBondContact O-NE2 3.3Å; P39-H69 HydrophobicContact CB-CB 4.25Å; R65-H69 HydrophobicContact CG-CB 4.15Å; R65-H69 CarbonylContact O-C 3.47Å; R65-H69 WeakPolarHBondContact O-CA 3.43Å; R65-H69 WeakPolarHBondContact O-CB 3.43Å; R65-H69 PolarHBondContact O-N 3.18Å; H69-T71 PolarHBondContact O-N 3.45Å; H69-A72 HydrophobicContact CB-CB 4.24Å; H69-A72 WeakPolarHBondContact O-CB 3.25Å; H69-A72 PolarHBondContact O-N 2.98Å; H69-F73 PolarHBondContact O-N 3.47Å
70A83.4Confident89.9Confident28 Ų2837 Ų3723%0.23121%0.208CC..G310 helixtrans-50.8-46178.100000111.3R65 I66 A72 F73 R115R65-A70 PolarHBondContact O-N 2.88Å; I66-A70 VanDerWaalsContact O-CB 3.26Å; I66-A70 WeakPolarHBondContact O-CB 3.41Å; I66-A70 PolarHBondContact O-N 2.95Å; A70-A72 PolarHBondContact O-N 2.86Å; A70-F73 WeakPolarHBondContact O-CB 3.28Å; A70-F73 PolarHBondContact O-N 3.29Å; A70-F73 VanDerWaalsContact O-N 3.09Å; A70-R115 PolarHBondContact O-NH2 2.56Å
71T83.5Confident90.1Very high141 Ų14137.8 Ų37.887%0.86521%0.211SC*.G310 helixtrans-65.4-23.5-17853.40000113.6H69 F73H69-T71 PolarHBondContact O-N 3.45Å; T71-F73 VanDerWaalsContact C-N 3.34Å
72A85.4Confident90.3Very high43 Ų4337.8 Ų37.836%0.35521%0.211SC..G310 helixtrans-80-15.8176.500000112.9P39 H69 A70P39-A72 HydrophobicContact CB-CB 4.44Å; H69-A72 HydrophobicContact CB-CB 4.24Å; H69-A72 WeakPolarHBondContact O-CB 3.25Å; H69-A72 PolarHBondContact O-N 2.98Å; A70-A72 PolarHBondContact O-N 2.86Å
73F81.6Confident90.3Very high6 Ų639.8 Ų39.83%0.02622%0.223CC..SBendtrans-81123.7172.8-90.2-77.3000111.2R65 I66 H69 A70 T71 E77 L78 W81 R115R65-F73 HydrophobicContact CB-CE2 3.56Å; R65-F73 HydrophobicContact CB-CZ 4.04Å; R65-F73 HydrophobicContact CG-CD2 3.96Å; R65-F73 HydrophobicContact CG-CE2 3.22Å; R65-F73 HydrophobicContact CG-CZ 3.77Å; I66-F73 HydrophobicContact CG1-CD2 4.48Å; I66-F73 HydrophobicContact CG1-CE2 3.96Å; H69-F73 PolarHBondContact O-N 3.47Å; A70-F73 WeakPolarHBondContact O-CB 3.28Å; A70-F73 PolarHBondContact O-N 3.29Å; A70-F73 VanDerWaalsContact O-N 3.09Å; T71-F73 VanDerWaalsContact C-N 3.34Å; F73-E77 HydrophobicContact CD1-CB 3.81Å; F73-E77 HydrophobicContact CE1-CB 4.36Å; F73-L78 HydrophobicContact CB-CB 4.27Å; F73-L78 HydrophobicContact CD1-CB 4.01Å; F73-L78 HydrophobicContact CG-CB 4.29Å; F73-W81 HydrophobicContact CE1-CB 4.28Å; F73-W81 AromaticContact CE1-CD2 3.75Å; F73-W81 HydrophobicContact CE1-CD2 3.75Å; F73-W81 AromaticContact CE1-CE3 3.97Å; F73-W81 HydrophobicContact CE1-CE3 3.97Å; F73-W81 AromaticContact CE1-CG 3.87Å; F73-W81 HydrophobicContact CE1-CG 3.87Å; F73-W81 AromaticContact CZ-CD2 3.87Å; F73-W81 HydrophobicContact CZ-CD2 3.87Å; F73-W81 AromaticContact CZ-CE3 3.57Å; F73-W81 HydrophobicContact CZ-CE3 3.57Å; F73-W81 HydrophobicContact CZ-CG 4.33Å; F73-W81 HydrophobicContact CZ-CZ3 4.01Å; F73-R115 VanDerWaalsContact O-CZ 3.22Å; F73-R115 PolarHBondContact O-NH1 3.24Å; F73-R115 PolarHBondContact O-NH2 2.71Å
74T90.7Very high90.4Very high70 Ų7041.3 Ų41.343%0.42923%0.229SC..  trans-66.3151.615666.70000109.5N76 E77 L78T74-N76 PolarHBondContact O-N 3.35Å; T74-E77 WeakPolarHBondContact CG2-OE1 3.37Å; T74-E77 PolarHBondContact O-N 3.35Å; T74-E77 VanDerWaalsContact O-N 3.17Å; T74-E77 WeakPolarHBondContact OG1-CB 3.41Å; T74-E77 VanDerWaalsContact OG1-CG 3.24Å; T74-E77 WeakPolarHBondContact OG1-CG 3.48Å; T74-E77 PolarHBondContact OG1-N 3.34Å; T74-E77 PolarHBondContact OG1-OE1 3Å; T74-L78 PolarHBondContact O-N 2.92Å
75T89.7Confident90.6Very high17 Ų1741.3 Ų41.310%0.10423%0.228CC..Hα-helixtrans-61.4-31.8179.5-50.80000111.3I79 L112 R115 E117T75-I79 HydrophobicContact CG2-CG1 4.38Å; T75-I79 VanDerWaalsContact O-CG1 3.24Å; T75-I79 WeakPolarHBondContact O-CG1 3.39Å; T75-I79 PolarHBondContact O-N 2.89Å; T75-I79 VanDerWaalsContact O-N 3.11Å; T75-L112 HydrophobicContact CG2-CD2 3.77Å; T75-R115 VanDerWaalsContact N-NH1 3.14Å; T75-R115 PolarHBondContact OG1-NH1 3.17Å; T75-E117 WeakPolarHBondContact CB-OE2 3.4Å; T75-E117 VanDerWaalsContact CG2-OE2 3.25Å; T75-E117 WeakPolarHBondContact CG2-OE2 3.35Å; T75-E117 PolarHBondContact OG1-OE2 3.4Å
76N93.3Very high90.8Very high89 Ų8940.8 Ų40.848%0.47623%0.226SC..Hα-helixtrans-62.3-52.3173.4-67-24.1000111.3T74 L78 I79 D80 R120T74-N76 PolarHBondContact O-N 3.35Å; N76-L78 VanDerWaalsContact C-N 3.3Å; N76-L78 PolarHBondContact O-N 3.16Å; N76-I79 PolarHBondContact O-N 3.41Å; N76-D80 WeakPolarHBondContact O-CB 3.32Å; N76-D80 PolarHBondContact O-N 3.35Å; N76-R120 PolarHBondContact OD1-NH1 3.14Å; N76-R120 PolarHBondContact OD1-NH2 3.35Å
77E92.9Very high90.8Very high71 Ų7144.8 Ų44.833%0.33225%0.248SC..Hα-helixtrans-59.2-41179-77.4166.5-130.100112.6R65 F73 T74 D80 W81R65-E77 IonicContact NH2-OE2 2.72Å; R65-E77 PolarHBondContact NH2-OE2 3.45Å; F73-E77 HydrophobicContact CD1-CB 3.81Å; F73-E77 HydrophobicContact CE1-CB 4.36Å; T74-E77 WeakPolarHBondContact CG2-OE1 3.37Å; T74-E77 PolarHBondContact O-N 3.35Å; T74-E77 VanDerWaalsContact O-N 3.17Å; T74-E77 WeakPolarHBondContact OG1-CB 3.41Å; T74-E77 VanDerWaalsContact OG1-CG 3.24Å; T74-E77 WeakPolarHBondContact OG1-CG 3.48Å; T74-E77 PolarHBondContact OG1-N 3.34Å; T74-E77 PolarHBondContact OG1-OE1 3Å; E77-D80 PolarHBondContact O-N 3.42Å; E77-W81 WeakPolarHBondContact O-CB 3.3Å; E77-W81 PolarHBondContact O-N 3.22Å
78L93.6Very high90.9Very high2 Ų245.4 Ų45.41%0.0125%0.249CC..Hα-helixtrans-59.3-50.3177.4175.960.7000110.7I66 F73 T74 N76 D80 W81 C82 T111 L112I66-L78 HydrophobicContact CD1-CD1 3.6Å; I66-L78 HydrophobicContact CG1-CD1 3.63Å; F73-L78 HydrophobicContact CB-CB 4.27Å; F73-L78 HydrophobicContact CD1-CB 4.01Å; F73-L78 HydrophobicContact CG-CB 4.29Å; T74-L78 PolarHBondContact O-N 2.92Å; N76-L78 VanDerWaalsContact C-N 3.3Å; N76-L78 PolarHBondContact O-N 3.16Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.26Å; L78-W81 PolarHBondContact O-N 3.03Å; L78-C82 WeakPolarHBondContact O-CB 3.43Å; L78-C82 PolarHBondContact O-N 3.17Å; L78-C82 PolarHBondContact O-SG 3.11Å; L78-T111 HydrophobicContact CD2-CG2 4.16Å; L78-L112 HydrophobicContact CD2-CD2 4.35Å
79I94.9Very high91.1Very high19 Ų1942.1 Ų42.110%0.09724%0.237CC..Hα-helixtrans-65.3-38.6-179.8-64.6-62.7000111.1T75 N76 C82 T83 L112 R120T75-I79 HydrophobicContact CG2-CG1 4.38Å; T75-I79 VanDerWaalsContact O-CG1 3.24Å; T75-I79 WeakPolarHBondContact O-CG1 3.39Å; T75-I79 PolarHBondContact O-N 2.89Å; T75-I79 VanDerWaalsContact O-N 3.11Å; N76-I79 PolarHBondContact O-N 3.41Å; I79-C82 PolarHBondContact O-N 3.4Å; I79-T83 VanDerWaalsContact O-CB 3.24Å; I79-T83 WeakPolarHBondContact O-CB 3.4Å; I79-T83 PolarHBondContact O-N 2.9Å; I79-T83 PolarHBondContact O-OG1 3.47Å; I79-L112 HydrophobicContact CD1-CD1 4.37Å; I79-L112 HydrophobicContact CD1-CD2 4.45Å; I79-R120 HydrophobicContact CD1-CB 4.11Å; I79-R120 HydrophobicContact CG1-CB 4.21Å
80D94.4Very high91.2Very high103 Ų10344.7 Ų44.755%0.55125%0.251SS*.Hα-helixtrans-64.3-42.3177.4-68.4-20.7000111.5N76 E77 L78 Y84N76-D80 WeakPolarHBondContact O-CB 3.32Å; N76-D80 PolarHBondContact O-N 3.35Å; E77-D80 PolarHBondContact O-N 3.42Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.26Å; D80-Y84 VanDerWaalsContact O-CB 3.27Å; D80-Y84 WeakPolarHBondContact O-CB 3.38Å; D80-Y84 PolarHBondContact O-N 3.01Å
81W94.9Very high91.4Very high17 Ų1745.7 Ų45.76%0.06426%0.256CS..Hα-helixtrans-65.8-47.7176.1-81.143.6000111.7W46 I61 L62 R65 F73 E77 L78 T83 Y84 F85W46-W81 HydrophobicContact CB-CE3 4.46Å; W46-W81 HydrophobicContact CB-CH2 3.16Å; W46-W81 HydrophobicContact CB-CZ2 3.47Å; W46-W81 VanDerWaalsContact CB-CZ2 3.47Å; W46-W81 HydrophobicContact CB-CZ3 3.73Å; W46-W81 AromaticContact CD1-CD2 3.81Å; W46-W81 AromaticContact CD1-CE2 3.35Å; W46-W81 AromaticContact CD1-CH2 3.88Å; W46-W81 AromaticContact CD1-CZ2 3.34Å; W46-W81 AromaticContact CD1-NE1 3.79Å; W46-W81 AromaticContact CD2-CD2 3.79Å; W46-W81 HydrophobicContact CD2-CD2 3.79Å; W46-W81 AromaticContact CD2-CE3 3.54Å; W46-W81 HydrophobicContact CD2-CE3 3.54Å; W46-W81 AromaticContact CD2-CH2 3.9Å; W46-W81 HydrophobicContact CD2-CH2 3.9Å; W46-W81 HydrophobicContact CD2-CZ2 4.09Å; W46-W81 AromaticContact CD2-CZ3 3.62Å; W46-W81 HydrophobicContact CD2-CZ3 3.62Å; W46-W81 AromaticContact CE2-CD2 3.58Å; W46-W81 AromaticContact CE2-CE2 3.99Å; W46-W81 AromaticContact CE2-CE3 3.75Å; W46-W81 AromaticContact CE2-CG 3.87Å; W46-W81 HydrophobicContact CE3-CD2 4.44Å; W46-W81 AromaticContact CE3-CE3 3.77Å; W46-W81 HydrophobicContact CE3-CE3 3.77Å; W46-W81 HydrophobicContact CE3-CH2 4.38Å; W46-W81 AromaticContact CE3-CZ3 3.76Å; W46-W81 HydrophobicContact CE3-CZ3 3.76Å; W46-W81 AromaticContact CG-CD2 3.93Å; W46-W81 HydrophobicContact CG-CD2 3.93Å; W46-W81 AromaticContact CG-CE2 3.68Å; W46-W81 AromaticContact CG-CE3 3.88Å; W46-W81 HydrophobicContact CG-CE3 3.88Å; W46-W81 AromaticContact CG-CH2 3.37Å; W46-W81 HydrophobicContact CG-CH2 3.37Å; W46-W81 AromaticContact CG-CZ2 3.35Å; W46-W81 HydrophobicContact CG-CZ2 3.35Å; W46-W81 AromaticContact CG-CZ3 3.64Å; W46-W81 HydrophobicContact CG-CZ3 3.64Å; W46-W81 HydrophobicContact CH2-CE3 4.31Å; W46-W81 HydrophobicContact CZ2-CB 3.94Å; W46-W81 HydrophobicContact CZ2-CD2 4.06Å; W46-W81 HydrophobicContact CZ2-CE3 4.14Å; W46-W81 HydrophobicContact CZ2-CG 4.02Å; W46-W81 WeakPolarHBondContact CZ2-O 3.37Å; W46-W81 HydrophobicContact CZ3-CE3 4.16Å; W46-W81 HydrophobicContact CZ3-CZ3 4.5Å; W46-W81 AromaticContact NE1-CD1 3.88Å; W46-W81 AromaticContact NE1-CD2 3.57Å; W46-W81 AromaticContact NE1-CE2 3.52Å; W46-W81 AromaticContact NE1-CG 3.77Å; W46-W81 AromaticContact NE1-NE1 3.73Å; I61-W81 HydrophobicContact CG2-CZ3 4.29Å; L62-W81 HydrophobicContact CD1-CB 3.95Å; L62-W81 HydrophobicContact CD1-CE3 3.93Å; R65-W81 HydrophobicContact CB-CZ3 4.42Å; F73-W81 HydrophobicContact CE1-CB 4.28Å; F73-W81 AromaticContact CE1-CD2 3.75Å; F73-W81 HydrophobicContact CE1-CD2 3.75Å; F73-W81 AromaticContact CE1-CE3 3.97Å; F73-W81 HydrophobicContact CE1-CE3 3.97Å; F73-W81 AromaticContact CE1-CG 3.87Å; F73-W81 HydrophobicContact CE1-CG 3.87Å; F73-W81 AromaticContact CZ-CD2 3.87Å; F73-W81 HydrophobicContact CZ-CD2 3.87Å; F73-W81 AromaticContact CZ-CE3 3.57Å; F73-W81 HydrophobicContact CZ-CE3 3.57Å; F73-W81 HydrophobicContact CZ-CG 4.33Å; F73-W81 HydrophobicContact CZ-CZ3 4.01Å; E77-W81 WeakPolarHBondContact O-CB 3.3Å; E77-W81 PolarHBondContact O-N 3.22Å; L78-W81 PolarHBondContact O-N 3.03Å; W81-T83 PolarHBondContact O-N 3.33Å; W81-Y84 PolarHBondContact O-N 3.42Å; W81-F85 WeakPolarHBondContact O-CB 3.16Å; W81-F85 PolarHBondContact O-N 3.47Å
82C95.2Very high91.5Very high0 Ų042 Ų420%024%0.24CC..Hα-helixtrans-60.3-45.2176.8-72.40000111.7L78 I79 F85 L86 W105L78-C82 WeakPolarHBondContact O-CB 3.43Å; L78-C82 PolarHBondContact O-N 3.17Å; L78-C82 PolarHBondContact O-SG 3.11Å; I79-C82 PolarHBondContact O-N 3.4Å; C82-F85 PolarHBondContact O-N 2.97Å; C82-L86 WeakPolarHBondContact O-CB 3.45Å; C82-L86 WeakPolarHBondContact O-CG 3.18Å; C82-L86 PolarHBondContact O-N 2.75Å; C82-W105 HydrophobicContact CB-CH2 4.05Å; C82-W105 HydrophobicContact CB-CZ3 4.13Å
83T94.5Very high91.6Very high42 Ų4242.3 Ų42.326%0.25824%0.235SC..Hα-helixtrans-65.1-46179.7-54.80000110.5I79 W81 F85 L86 D87I79-T83 VanDerWaalsContact O-CB 3.24Å; I79-T83 WeakPolarHBondContact O-CB 3.4Å; I79-T83 PolarHBondContact O-N 2.9Å; I79-T83 PolarHBondContact O-OG1 3.47Å; W81-T83 PolarHBondContact O-N 3.33Å; T83-F85 VanDerWaalsContact C-N 3.33Å; T83-F85 PolarHBondContact O-N 2.82Å; T83-L86 PolarHBondContact O-N 2.95Å; T83-L86 VanDerWaalsContact O-N 3.17Å; T83-D87 WeakPolarHBondContact O-CB 3.28Å; T83-D87 VanDerWaalsContact O-CG 3.26Å; T83-D87 PolarHBondContact O-N 3.18Å
84Y94.3Very high91.9Very high52 Ų5242 Ų4220%0.20423%0.234CC..Hα-helixtrans-60.8-42.2176.9-176.2-92.1000112.4W46 K50 M58 D80 W81 D87 N88W46-Y84 HydrophobicContact CZ2-CD1 4.04Å; K50-Y84 HydrophobicContact CB-CE1 3.91Å; K50-Y84 WeakPolarHBondContact CB-OH 3.4Å; K50-Y84 HydrophobicContact CD-CD1 4.23Å; K50-Y84 HydrophobicContact CD-CE1 3.99Å; K50-Y84 VanDerWaalsContact CE-CD2 3.45Å; K50-Y84 VanDerWaalsContact CE-CE1 3.43Å; K50-Y84 HydrophobicContact CG-CD1 4.02Å; K50-Y84 HydrophobicContact CG-CE1 3.44Å; K50-Y84 VanDerWaalsContact CG-CE1 3.44Å; K50-Y84 PolarHBondContact O-OH 3.39Å; K50-Y84 VanDerWaalsContact O-OH 3.11Å; M58-Y84 HydrophobicContact CE-CD1 3.51Å; M58-Y84 HydrophobicContact CE-CE1 3.41Å; M58-Y84 VanDerWaalsContact CE-CE1 3.41Å; M58-Y84 HydrophobicContact SD-CE1 4.46Å; D80-Y84 VanDerWaalsContact O-CB 3.27Å; D80-Y84 WeakPolarHBondContact O-CB 3.38Å; D80-Y84 PolarHBondContact O-N 3.01Å; W81-Y84 PolarHBondContact O-N 3.42Å; Y84-D87 PolarHBondContact O-N 3.21Å; Y84-N88 WeakPolarHBondContact CE2-ND2 3.34Å; Y84-N88 PolarHBondContact O-N 3.38Å; Y84-N88 PolarHBondContact O-ND2 3.41Å
85F95.2Very high91.7Very high1 Ų140.7 Ų40.70%0.00423%0.227CC..Hα-helixtrans-60.2-49.4174.1179.5-114000111.3W46 T55 M58 L59 L62 W81 C82 T83 D87 N88 F89 V94 Y101 L104 W105W46-F85 HydrophobicContact CH2-CB 4.08Å; T55-F85 HydrophobicContact CG2-CE2 4.36Å; M58-F85 HydrophobicContact CB-CD2 4.07Å; M58-F85 HydrophobicContact CB-CE2 4.25Å; L59-F85 HydrophobicContact CB-CE2 3.99Å; L59-F85 HydrophobicContact CB-CZ 3.85Å; L59-F85 HydrophobicContact CD1-CE1 4.15Å; L59-F85 HydrophobicContact CD1-CZ 3.87Å; L59-F85 HydrophobicContact CG-CZ 4.36Å; L62-F85 HydrophobicContact CD2-CB 3.99Å; L62-F85 HydrophobicContact CD2-CD1 4.09Å; L62-F85 HydrophobicContact CD2-CG 4.05Å; W81-F85 WeakPolarHBondContact O-CB 3.16Å; W81-F85 PolarHBondContact O-N 3.47Å; C82-F85 PolarHBondContact O-N 2.97Å; T83-F85 VanDerWaalsContact C-N 3.33Å; T83-F85 PolarHBondContact O-N 2.82Å; F85-D87 PolarHBondContact O-N 3.49Å; F85-N88 PolarHBondContact O-N 3Å; F85-N88 VanDerWaalsContact O-N 3.13Å; F85-F89 HydrophobicContact CD2-CB 4.31Å; F85-F89 HydrophobicContact CE1-CB 4.42Å; F85-F89 HydrophobicContact CE2-CB 3.92Å; F85-F89 HydrophobicContact CZ-CB 3.97Å; F85-F89 HydrophobicContact CZ-CG 4.49Å; F85-F89 WeakPolarHBondContact O-CB 3.44Å; F85-F89 WeakPolarHBondContact O-CD1 3.3Å; F85-F89 PolarHBondContact O-N 3.38Å; F85-V94 HydrophobicContact CZ-CG2 4.14Å; F85-Y101 HydrophobicContact CE1-CD2 4.13Å; F85-Y101 AromaticContact CE1-CE2 3.85Å; F85-Y101 HydrophobicContact CE1-CE2 3.85Å; F85-L104 HydrophobicContact CE1-CD2 4.44Å; F85-W105 HydrophobicContact CD1-CZ2 4.35Å
86L93.8Very high91.5Very high0 Ų042.1 Ų42.10%023%0.234CC..Hα-helixtrans-62-29.2-179.8-75.4169.9000113.3C82 T83 F89 W105 C124 L127 A128 R131C82-L86 WeakPolarHBondContact O-CB 3.45Å; C82-L86 WeakPolarHBondContact O-CG 3.18Å; C82-L86 PolarHBondContact O-N 2.75Å; T83-L86 PolarHBondContact O-N 2.95Å; T83-L86 VanDerWaalsContact O-N 3.17Å; L86-F89 HydrophobicContact CD2-CD1 4.4Å; L86-F89 HydrophobicContact CD2-CE1 3.84Å; L86-F89 WeakPolarHBondContact O-CD1 3.3Å; L86-W105 HydrophobicContact CD1-CH2 3.4Å; L86-W105 VanDerWaalsContact CD1-CH2 3.4Å; L86-W105 HydrophobicContact CD1-CZ2 3.94Å; L86-W105 HydrophobicContact CD1-CZ3 4.19Å; L86-W105 HydrophobicContact CD2-CH2 3.89Å; L86-W105 HydrophobicContact CD2-CZ2 3.49Å; L86-W105 VanDerWaalsContact CD2-CZ2 3.49Å; L86-W105 HydrophobicContact CG-CH2 3.61Å; L86-W105 HydrophobicContact CG-CZ2 3.73Å; L86-C124 HydrophobicContact CD1-CB 3.9Å; L86-C124 WeakPolarHBondContact CD1-O 3.17Å; L86-L127 HydrophobicContact CD1-CB 4.06Å; L86-A128 VanDerWaalsContact CD2-CA 3.48Å; L86-A128 HydrophobicContact CD2-CB 3.85Å; L86-R131 WeakPolarHBondContact O-CD 3.36Å; L86-R131 PolarHBondContact O-NE 2.98Å; L86-R131 PolarHBondContact O-NH1 2.72Å
87D92.4Very high91.3Very high90 Ų9038.2 Ų38.248%0.48121%0.213SC..Hα-helixtrans-77.4-26177.5-71-21000112.7T83 Y84 F85 R131T83-D87 WeakPolarHBondContact O-CB 3.28Å; T83-D87 VanDerWaalsContact O-CG 3.26Å; T83-D87 PolarHBondContact O-N 3.18Å; Y84-D87 PolarHBondContact O-N 3.21Å; F85-D87 PolarHBondContact O-N 3.49Å; D87-R131 PolarHBondContact O-NH1 3.23Å
88N91Very high91.1Very high63 Ų6335 Ų3534%0.33720%0.198SC..Hα-helixtrans-118.7-8-168.6-61.6-77000115Y84 F85Y84-N88 WeakPolarHBondContact CE2-ND2 3.34Å; Y84-N88 PolarHBondContact O-N 3.38Å; Y84-N88 PolarHBondContact O-ND2 3.41Å; F85-N88 PolarHBondContact O-N 3Å; F85-N88 VanDerWaalsContact O-N 3.13Å
89F92.6Very high90.9Very high6 Ų638.9 Ų38.93%0.02622%0.219CC..  trans-71.8148.5-175.583.2-84.4000113.9T55 F85 L86 V94 R131T55-F89 HydrophobicContact CG2-CB 3.82Å; F85-F89 HydrophobicContact CD2-CB 4.31Å; F85-F89 HydrophobicContact CE1-CB 4.42Å; F85-F89 HydrophobicContact CE2-CB 3.92Å; F85-F89 HydrophobicContact CZ-CB 3.97Å; F85-F89 HydrophobicContact CZ-CG 4.49Å; F85-F89 WeakPolarHBondContact O-CB 3.44Å; F85-F89 WeakPolarHBondContact O-CD1 3.3Å; F85-F89 PolarHBondContact O-N 3.38Å; L86-F89 HydrophobicContact CD2-CD1 4.4Å; L86-F89 HydrophobicContact CD2-CE1 3.84Å; L86-F89 WeakPolarHBondContact O-CD1 3.3Å; F89-V94 HydrophobicContact CB-CG2 4.29Å; F89-V94 HydrophobicContact CD2-CB 4.22Å; F89-V94 HydrophobicContact CD2-CG2 3.47Å; F89-V94 VanDerWaalsContact CD2-CG2 3.47Å; F89-V94 HydrophobicContact CE2-CB 4.49Å; F89-V94 HydrophobicContact CE2-CG2 4.15Å; F89-V94 HydrophobicContact CG-CG2 4.24Å; F89-R131 HydrophobicContact CE1-CB 3.53Å; F89-R131 HydrophobicContact CE1-CG 4.34Å; F89-R131 HydrophobicContact CZ-CB 3.38Å; F89-R131 PolarHBondContact O-NH2 2.99Å
90N88.8Confident90.7Very high78 Ų7838.4 Ų38.442%0.41722%0.217SC..  trans-93.5119.8168-176.8-37.3000110.6T55 A92 M93 V94T55-N90 PolarHBondContact OG1-N 3.35Å; N90-A92 PolarHBondContact O-N 3.31Å; N90-A92 WeakPolarHBondContact OD1-CB 3.47Å; N90-A92 PolarHBondContact OD1-N 2.87Å; N90-M93 HydrophobicContact CB-CB 4.14Å; N90-M93 HydrophobicContact CB-CG 3.99Å; N90-M93 PolarHBondContact O-N 3.44Å; N90-M93 PolarHBondContact OD1-N 2.95Å; N90-V94 WeakPolarHBondContact O-CG2 3.39Å; N90-V94 PolarHBondContact O-N 3.49Å
91S87Confident90.7Very high49 Ų4933.5 Ų33.534%0.34319%0.191SC..Hα-helixtrans-63.8-35.3-177570000113.9M93 V94 S95S91-M93 VanDerWaalsContact C-N 3.31Å; S91-M93 PolarHBondContact O-N 3.39Å; S91-V94 PolarHBondContact O-N 2.94Å; S91-S95 PolarHBondContact O-N 3.38Å; S91-S95 PolarHBondContact O-OG 2.87Å
92A85.2Confident90.6Very high63 Ų6333.2 Ų33.252%0.52119%0.19SC..Hα-helixtrans-65.5-37.8176.300000111.2N90 S95N90-A92 PolarHBondContact O-N 3.31Å; N90-A92 WeakPolarHBondContact OD1-CB 3.47Å; N90-A92 PolarHBondContact OD1-N 2.87Å; A92-S95 WeakPolarHBondContact O-CB 3.37Å; A92-S95 PolarHBondContact O-N 2.91Å
93M86.9Confident90.5Very high51 Ų5136.6 Ų36.625%0.25121%0.208SC..Hα-helixtrans-69.2-42.9175.5-67.8-66.4-179.500111.6F20 T55 L56 N90 S91 S95 L96F20-M93 HydrophobicContact CD1-CE 4.23Å; F20-M93 HydrophobicContact CD1-SD 4.02Å; F20-M93 HydrophobicContact CE1-CE 3.66Å; F20-M93 HydrophobicContact CE1-SD 4.01Å; F20-M93 HydrophobicContact CE2-CE 4.06Å; F20-M93 HydrophobicContact CG-SD 4.45Å; F20-M93 HydrophobicContact CZ-CE 3.57Å; F20-M93 HydrophobicContact CZ-SD 4.42Å; T55-M93 HydrophobicContact CG2-CB 4.1Å; L56-M93 VanDerWaalsContact CD2-O 3.22Å; L56-M93 WeakPolarHBondContact CD2-O 3.4Å; L56-M93 HydrophobicContact CG-CB 4.34Å; N90-M93 HydrophobicContact CB-CB 4.14Å; N90-M93 HydrophobicContact CB-CG 3.99Å; N90-M93 PolarHBondContact O-N 3.44Å; N90-M93 PolarHBondContact OD1-N 2.95Å; S91-M93 VanDerWaalsContact C-N 3.31Å; S91-M93 PolarHBondContact O-N 3.39Å; M93-S95 PolarHBondContact O-N 3.24Å; M93-L96 WeakPolarHBondContact O-CB 3.34Å; M93-L96 PolarHBondContact O-N 3.48Å; M93-L96 HydrophobicContact SD-CD1 4.12Å
94V89.1Confident90.5Very high0 Ų034.6 Ų34.60%020%0.196CC..Hα-helixtrans-63.3-31.4177.1173.50000111.8T55 L59 F85 F89 N90 S91 L96 M97 A98 Y101 F132T55-V94 HydrophobicContact CG2-CG2 3.56Å; L59-V94 HydrophobicContact CD2-CG1 4.44Å; F85-V94 HydrophobicContact CZ-CG2 4.14Å; F89-V94 HydrophobicContact CB-CG2 4.29Å; F89-V94 HydrophobicContact CD2-CB 4.22Å; F89-V94 HydrophobicContact CD2-CG2 3.47Å; F89-V94 VanDerWaalsContact CD2-CG2 3.47Å; F89-V94 HydrophobicContact CE2-CB 4.49Å; F89-V94 HydrophobicContact CE2-CG2 4.15Å; F89-V94 HydrophobicContact CG-CG2 4.24Å; N90-V94 WeakPolarHBondContact O-CG2 3.39Å; N90-V94 PolarHBondContact O-N 3.49Å; S91-V94 PolarHBondContact O-N 2.94Å; V94-L96 PolarHBondContact O-N 3.37Å; V94-M97 CarbonylContact O-C 3.56Å; V94-M97 PolarHBondContact O-N 3.38Å; V94-A98 PolarHBondContact O-N 2.91Å; V94-Y101 HydrophobicContact CG1-CD1 4.04Å; V94-Y101 HydrophobicContact CG1-CD2 3.26Å; V94-Y101 HydrophobicContact CG1-CE2 3.81Å; V94-Y101 HydrophobicContact CG1-CG 3.36Å; V94-F132 HydrophobicContact CB-CD2 4.36Å; V94-F132 HydrophobicContact CB-CE2 4.24Å; V94-F132 HydrophobicContact CG1-CD2 3.81Å; V94-F132 HydrophobicContact CG1-CE2 3.64Å
95S87Confident90.6Very high41 Ų4132.1 Ų32.129%0.28719%0.186SC..Hα-helixtrans-59.6-27177.8-59.40000113S91 A92 M93 M97S91-S95 PolarHBondContact O-N 3.38Å; S91-S95 PolarHBondContact O-OG 2.87Å; A92-S95 WeakPolarHBondContact O-CB 3.37Å; A92-S95 PolarHBondContact O-N 2.91Å; M93-S95 PolarHBondContact O-N 3.24Å; S95-M97 PolarHBondContact O-N 3.48Å
96L85Confident90.6Very high47 Ų4732.9 Ų32.925%0.24619%0.189CC..THydrogen-bonded Turntrans-67.8-18.7174-63.6161.4000113.5F20 V24 L56 M93 V94 E193F20-L96 HydrophobicContact CB-CD1 4.06Å; V24-L96 HydrophobicContact CG2-CB 3.97Å; L56-L96 HydrophobicContact CD1-CD1 4.15Å; M93-L96 WeakPolarHBondContact O-CB 3.34Å; M93-L96 PolarHBondContact O-N 3.48Å; M93-L96 HydrophobicContact SD-CD1 4.12Å; V94-L96 PolarHBondContact O-N 3.37Å; L96-E193 WeakPolarHBondContact CD2-OE1 3.22Å; L96-E193 WeakPolarHBondContact CD2-OE2 3.48Å
97M88.9Confident90.7Very high7 Ų735 Ų353%0.03420%0.199CC..THydrogen-bonded Turntrans-133.845.4179.9-66.5-171.761.400110.4V24 L27 N28 L31 L56 L59 V94 S95 D99 T100 Y101V24-M97 HydrophobicContact CB-CG 4.18Å; V24-M97 HydrophobicContact CB-SD 4.31Å; V24-M97 HydrophobicContact CG1-CG 3.66Å; V24-M97 HydrophobicContact CG1-SD 4.17Å; V24-M97 HydrophobicContact CG2-CG 3.7Å; V24-M97 HydrophobicContact CG2-SD 4.01Å; L27-M97 HydrophobicContact CB-CE 3.92Å; L27-M97 HydrophobicContact CB-SD 4.1Å; L27-M97 HydrophobicContact CD1-SD 3.81Å; N28-M97 WeakPolarHBondContact OD1-CE 3.38Å; L31-M97 HydrophobicContact CD1-CE 4.25Å; L56-M97 HydrophobicContact CD2-CB 4.3Å; L56-M97 HydrophobicContact CD2-CG 3.89Å; L56-M97 HydrophobicContact CD2-SD 3.78Å; L59-M97 HydrophobicContact CD2-CB 4.01Å; V94-M97 CarbonylContact O-C 3.56Å; V94-M97 PolarHBondContact O-N 3.38Å; S95-M97 PolarHBondContact O-N 3.48Å; M97-D99 VanDerWaalsContact C-N 3.29Å; M97-D99 PolarHBondContact O-N 3.26Å; M97-T100 HydrophobicContact CE-CG2 4.1Å; M97-T100 WeakPolarHBondContact CE-OG1 3.49Å; M97-T100 PolarHBondContact O-N 3.06Å; M97-Y101 PolarHBondContact O-N 3.34Å
98A88.9Confident90.8Very high3 Ų330.7 Ų30.73%0.02518%0.176CC..Hα-helixtrans-59.3-37.7-175.500000112.7V94 Y101 F102 F132 F171 P197V94-A98 PolarHBondContact O-N 2.91Å; A98-Y101 WeakPolarHBondContact O-CB 3.21Å; A98-Y101 PolarHBondContact O-N 3.01Å; A98-F102 HydrophobicContact CB-CE2 4.06Å; A98-F102 HydrophobicContact CB-CZ 4.49Å; A98-F102 WeakPolarHBondContact O-CD2 3.37Å; A98-F102 VanDerWaalsContact O-CG 3.32Å; A98-F102 WeakPolarHBondContact O-CG 3.32Å; A98-F102 PolarHBondContact O-N 3.26Å; A98-F132 HydrophobicContact CB-CZ 4.26Å; A98-F171 HydrophobicContact CB-CE1 3.94Å; A98-F171 HydrophobicContact CB-CZ 3.88Å; A98-P197 HydrophobicContact CB-CG 4.05Å
99D88.6Confident91.1Very high85 Ų8527.7 Ų27.746%0.45516%0.16SC..Hα-helixtrans-56-56.8174.6-74.5-49.4000112M97 Y101 F102 D103 P197M97-D99 VanDerWaalsContact C-N 3.29Å; M97-D99 PolarHBondContact O-N 3.26Å; D99-Y101 PolarHBondContact O-N 3.3Å; D99-F102 PolarHBondContact O-N 2.93Å; D99-D103 WeakPolarHBondContact O-CB 3.03Å; D99-D103 PolarHBondContact O-N 3.46Å; D99-P197 WeakPolarHBondContact OD1-CB 3.46Å; D99-P197 WeakPolarHBondContact OD1-CG 3.22Å; D99-P197 WeakPolarHBondContact OD2-CB 3.25Å
100T91.1Very high91.2Very high8 Ų831.3 Ų31.35%0.04918%0.18CC..Hα-helixtrans-57.8-35.5178.5-46.10000111.3L31 L59 F63 M97 L104L31-T100 HydrophobicContact CD1-CG2 3.56Å; L59-T100 HydrophobicContact CG-CG2 4.32Å; F63-T100 HydrophobicContact CB-CG2 4.14Å; F63-T100 HydrophobicContact CD2-CG2 3.59Å; F63-T100 WeakPolarHBondContact CD2-O 3.47Å; F63-T100 HydrophobicContact CE2-CG2 4.08Å; F63-T100 HydrophobicContact CG-CG2 3.89Å; M97-T100 HydrophobicContact CE-CG2 4.1Å; M97-T100 WeakPolarHBondContact CE-OG1 3.49Å; M97-T100 PolarHBondContact O-N 3.06Å; T100-L104 VanDerWaalsContact O-CB 3.23Å; T100-L104 WeakPolarHBondContact O-CB 3.4Å; T100-L104 PolarHBondContact O-N 3.23Å
101Y93.6Very high91.5Very high0 Ų028.5 Ų28.50%017%0.166CC..Hα-helixtrans-66.9-44.9175.8-176.8-101.7000112.4L59 F85 V94 M97 A98 D99 L104 W105 A128 F132 I142L59-Y101 HydrophobicContact CD1-CD2 4.15Å; F85-Y101 HydrophobicContact CE1-CD2 4.13Å; F85-Y101 AromaticContact CE1-CE2 3.85Å; F85-Y101 HydrophobicContact CE1-CE2 3.85Å; V94-Y101 HydrophobicContact CG1-CD1 4.04Å; V94-Y101 HydrophobicContact CG1-CD2 3.26Å; V94-Y101 HydrophobicContact CG1-CE2 3.81Å; V94-Y101 HydrophobicContact CG1-CG 3.36Å; M97-Y101 PolarHBondContact O-N 3.34Å; A98-Y101 WeakPolarHBondContact O-CB 3.21Å; A98-Y101 PolarHBondContact O-N 3.01Å; D99-Y101 PolarHBondContact O-N 3.3Å; Y101-L104 WeakPolarHBondContact O-CB 3.45Å; Y101-L104 PolarHBondContact O-N 3.23Å; Y101-W105 AromaticContact CD1-CD1 3.95Å; Y101-W105 AromaticContact CD1-NE1 3.94Å; Y101-W105 AromaticContact CD2-NE1 3.61Å; Y101-W105 AromaticContact CE1-CD1 3.73Å; Y101-W105 AromaticContact CE1-NE1 3.49Å; Y101-W105 HydrophobicContact CE2-CZ2 4.35Å; Y101-W105 AromaticContact CE2-NE1 3.14Å; Y101-W105 AromaticContact CZ-CD1 3.81Å; Y101-W105 AromaticContact CZ-NE1 3.06Å; Y101-W105 PolarHBondContact O-N 2.71Å; Y101-W105 PolarHBondContact OH-NE1 3.47Å; Y101-A128 WeakPolarHBondContact OH-CA 3.47Å; Y101-A128 WeakPolarHBondContact OH-CB 3.35Å; Y101-A128 PolarHBondContact OH-O 3.22Å; Y101-F132 HydrophobicContact CD1-CD1 4.46Å; Y101-F132 HydrophobicContact CD1-CD2 4.09Å; Y101-F132 HydrophobicContact CD1-CE2 4.28Å; Y101-F132 HydrophobicContact CD1-CG 4.19Å; Y101-F132 HydrophobicContact CE1-CB 3.81Å; Y101-F132 HydrophobicContact CE1-CD1 4.11Å; Y101-F132 AromaticContact CE1-CD2 3.84Å; Y101-F132 HydrophobicContact CE1-CD2 3.84Å; Y101-F132 HydrophobicContact CE1-CE2 4.47Å; Y101-F132 AromaticContact CE1-CG 3.64Å; Y101-F132 HydrophobicContact CE1-CG 3.64Å; Y101-I142 HydrophobicContact CD1-CD1 3.99Å; Y101-I142 HydrophobicContact CE1-CD1 3.48Å; Y101-I142 VanDerWaalsContact CE1-CD1 3.48Å
102F93.9Very high91.9Very high11 Ų1126.1 Ų26.15%0.04815%0.149CC..Hα-helixtrans-67-47.2177.1-60.8-40.2000111.5A98 D99 L104 W105 H106 F132 T140 P141 I142 F171 P197A98-F102 HydrophobicContact CB-CE2 4.06Å; A98-F102 HydrophobicContact CB-CZ 4.49Å; A98-F102 WeakPolarHBondContact O-CD2 3.37Å; A98-F102 VanDerWaalsContact O-CG 3.32Å; A98-F102 WeakPolarHBondContact O-CG 3.32Å; A98-F102 PolarHBondContact O-N 3.26Å; D99-F102 PolarHBondContact O-N 2.93Å; F102-L104 VanDerWaalsContact C-N 3.25Å; F102-L104 PolarHBondContact O-N 3.1Å; F102-W105 PolarHBondContact O-N 3.23Å; F102-H106 VanDerWaalsContact C-CD2 3.43Å; F102-H106 PolarHBondContact O-CD2 2.84Å; F102-H106 PolarHBondContact O-N 3.03Å; F102-F132 HydrophobicContact CE1-CD1 4.1Å; F102-F132 AromaticContact CE1-CE1 3.65Å; F102-F132 HydrophobicContact CE1-CE1 3.65Å; F102-F132 HydrophobicContact CE1-CZ 4.35Å; F102-F132 HydrophobicContact CZ-CD1 4.43Å; F102-F132 AromaticContact CZ-CE1 3.57Å; F102-F132 HydrophobicContact CZ-CE1 3.57Å; F102-F132 HydrophobicContact CZ-CZ 4.13Å; F102-T140 HydrophobicContact CE1-CG2 4.41Å; F102-P141 HydrophobicContact CB-CB 4.46Å; F102-P141 HydrophobicContact CD1-CG 4.45Å; F102-P141 HydrophobicContact CD2-CG 4.04Å; F102-P141 HydrophobicContact CE2-CG 4.34Å; F102-P141 HydrophobicContact CG-CB 4.42Å; F102-P141 HydrophobicContact CG-CG 4.09Å; F102-I142 HydrophobicContact CD1-CD1 3.74Å; F102-I142 HydrophobicContact CD1-CG1 3.72Å; F102-I142 HydrophobicContact CE1-CD1 4.05Å; F102-I142 HydrophobicContact CE1-CG1 4.29Å; F102-F171 AromaticContact CE2-CD1 3.55Å; F102-F171 HydrophobicContact CE2-CD1 3.55Å; F102-F171 AromaticContact CE2-CE1 3.51Å; F102-F171 HydrophobicContact CE2-CE1 3.51Å; F102-F171 HydrophobicContact CE2-CG 4.35Å; F102-F171 HydrophobicContact CE2-CZ 4.28Å; F102-F171 AromaticContact CZ-CD1 3.5Å; F102-F171 HydrophobicContact CZ-CD1 3.5Å; F102-F171 HydrophobicContact CZ-CD2 4.21Å; F102-F171 AromaticContact CZ-CE1 3.58Å; F102-F171 HydrophobicContact CZ-CE1 3.58Å; F102-F171 HydrophobicContact CZ-CE2 4.28Å; F102-F171 AromaticContact CZ-CG 3.87Å; F102-F171 HydrophobicContact CZ-CG 3.87Å; F102-F171 AromaticContact CZ-CZ 4Å; F102-F171 HydrophobicContact CZ-CZ 4Å; F102-P197 HydrophobicContact CE2-CG 4.42Å
103D92.6Very high92.4Very high71 Ų7124.5 Ų24.538%0.3813%0.132SC..Hα-helixtrans-60.3-34.8177.5-73.4-19.4000112.3F63 D99 H106 Q107F63-D103 HydrophobicContact CE2-CB 3.52Å; F63-D103 HydrophobicContact CZ-CB 4.09Å; D99-D103 WeakPolarHBondContact O-CB 3.03Å; D99-D103 PolarHBondContact O-N 3.46Å; D103-H106 IonicContact OD1-CD2 3.42Å; D103-Q107 WeakPolarHBondContact O-CB 3.21Å; D103-Q107 VanDerWaalsContact O-CG 3.32Å; D103-Q107 WeakPolarHBondContact O-CG 3.25Å; D103-Q107 PolarHBondContact O-N 2.78Å
104L95.2Very high92.7Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-55.8-52.5170.9169.564.5000110.5L59 L62 F63 I66 F85 T100 Y101 F102 Q107 V108L59-L104 HydrophobicContact CD1-CD2 3.67Å; L62-L104 HydrophobicContact CD2-CD1 4.24Å; L62-L104 HydrophobicContact CD2-CD2 3.73Å; L62-L104 HydrophobicContact CG-CD1 3.88Å; L62-L104 HydrophobicContact CG-CD2 4.18Å; F63-L104 HydrophobicContact CD2-CB 3.91Å; I66-L104 HydrophobicContact CD1-CD1 3.34Å; F85-L104 HydrophobicContact CE1-CD2 4.44Å; T100-L104 VanDerWaalsContact O-CB 3.23Å; T100-L104 WeakPolarHBondContact O-CB 3.4Å; T100-L104 PolarHBondContact O-N 3.23Å; Y101-L104 WeakPolarHBondContact O-CB 3.45Å; Y101-L104 PolarHBondContact O-N 3.23Å; F102-L104 VanDerWaalsContact C-N 3.25Å; F102-L104 PolarHBondContact O-N 3.1Å; L104-Q107 PolarHBondContact O-N 2.97Å; L104-V108 HydrophobicContact CD1-CG2 4.1Å; L104-V108 HydrophobicContact CG-CG2 4.45Å; L104-V108 VanDerWaalsContact O-CG2 3.28Å; L104-V108 WeakPolarHBondContact O-CG2 3.41Å; L104-V108 PolarHBondContact O-N 3.12Å
105W96Very high92.9Very high0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-71.6-33.3-175.4-65.3113.2000112.8C82 F85 L86 Y101 F102 V108 A109 C124 L125 A128 I142C82-W105 HydrophobicContact CB-CH2 4.05Å; C82-W105 HydrophobicContact CB-CZ3 4.13Å; F85-W105 HydrophobicContact CD1-CZ2 4.35Å; L86-W105 HydrophobicContact CD1-CH2 3.4Å; L86-W105 VanDerWaalsContact CD1-CH2 3.4Å; L86-W105 HydrophobicContact CD1-CZ2 3.94Å; L86-W105 HydrophobicContact CD1-CZ3 4.19Å; L86-W105 HydrophobicContact CD2-CH2 3.89Å; L86-W105 HydrophobicContact CD2-CZ2 3.49Å; L86-W105 VanDerWaalsContact CD2-CZ2 3.49Å; L86-W105 HydrophobicContact CG-CH2 3.61Å; L86-W105 HydrophobicContact CG-CZ2 3.73Å; Y101-W105 AromaticContact CD1-CD1 3.95Å; Y101-W105 AromaticContact CD1-NE1 3.94Å; Y101-W105 AromaticContact CD2-NE1 3.61Å; Y101-W105 AromaticContact CE1-CD1 3.73Å; Y101-W105 AromaticContact CE1-NE1 3.49Å; Y101-W105 HydrophobicContact CE2-CZ2 4.35Å; Y101-W105 AromaticContact CE2-NE1 3.14Å; Y101-W105 AromaticContact CZ-CD1 3.81Å; Y101-W105 AromaticContact CZ-NE1 3.06Å; Y101-W105 PolarHBondContact O-N 2.71Å; Y101-W105 PolarHBondContact OH-NE1 3.47Å; F102-W105 PolarHBondContact O-N 3.23Å; W105-V108 HydrophobicContact CE3-CB 4.23Å; W105-V108 HydrophobicContact CE3-CG1 4.27Å; W105-V108 HydrophobicContact CE3-CG2 4.28Å; W105-V108 HydrophobicContact CZ3-CG1 4.38Å; W105-V108 HydrophobicContact CZ3-CG2 4.46Å; W105-V108 PolarHBondContact O-N 3.04Å; W105-A109 WeakPolarHBondContact O-CB 3.47Å; W105-A109 PolarHBondContact O-N 3.25Å; W105-C124 HydrophobicContact CH2-CB 4.45Å; W105-C124 HydrophobicContact CZ3-CB 3.9Å; W105-L125 HydrophobicContact CE3-CD1 3.95Å; W105-L125 HydrophobicContact CE3-CG 4.4Å; W105-A128 HydrophobicContact CD2-CB 3.87Å; W105-A128 VanDerWaalsContact CE2-CB 3.49Å; W105-A128 HydrophobicContact CE3-CB 4.46Å; W105-A128 HydrophobicContact CG-CB 4.26Å; W105-A128 HydrophobicContact CH2-CB 4.46Å; W105-A128 HydrophobicContact CZ2-CB 3.84Å; W105-I142 HydrophobicContact CB-CD1 4.4Å; W105-I142 HydrophobicContact CB-CG1 4.13Å; W105-I142 HydrophobicContact CB-CG2 4.19Å; W105-I142 VanDerWaalsContact CD1-CD1 3.45Å; W105-I142 HydrophobicContact CG-CD1 4.1Å; W105-I142 HydrophobicContact CG-CG1 4.37Å; W105-I142 HydrophobicContact CG-CG2 4.45Å
106H95.8Very high93.2Very high17 Ų1738.5 Ų38.58%0.07919%0.19CC..Hα-helixtrans-56.2-51.4168.7-66.9-47000110.4F102 D103 V108 A109 D110 P141 D145 Y203F102-H106 VanDerWaalsContact C-CD2 3.43Å; F102-H106 PolarHBondContact O-CD2 2.84Å; F102-H106 PolarHBondContact O-N 3.03Å; D103-H106 IonicContact OD1-CD2 3.42Å; H106-V108 PolarHBondContact O-N 2.97Å; H106-A109 PolarHBondContact O-N 3.4Å; H106-D110 PolarHBondContact O-N 3Å; H106-P141 WeakPolarHBondContact NE2-CB 3.34Å; H106-D145 IonicContact CE1-OD1 3.57Å; H106-D145 IonicContact CE1-OD2 3.74Å; H106-D145 PolarHBondContact CE1-OD2 3.4Å; H106-D145 IonicContact CG-OD1 3.28Å; H106-D145 IonicContact ND1-OD1 3.61Å; H106-D145 PolarHBondContact ND1-OD1 3.49Å; H106-D145 IonicContact ND1-OD2 2.7Å; H106-D145 PolarHBondContact ND1-OD2 2.79Å; H106-Y203 PolarHBondContact CD2-OH 3.25Å; H106-Y203 AromaticContact CE1-CD1 3.77Å; H106-Y203 AromaticContact CE1-CE1 3.1Å; H106-Y203 WeakPolarHBondContact CE1-CE1 3.35Å; H106-Y203 AromaticContact CE1-CZ 3.58Å; H106-Y203 AromaticContact ND1-CE1 3.79Å; H106-Y203 AromaticContact NE2-CE1 3.4Å; H106-Y203 WeakPolarHBondContact NE2-CE1 3.46Å; H106-Y203 AromaticContact NE2-CZ 3.32Å; H106-Y203 VanDerWaalsContact NE2-CZ 3.32Å; H106-Y203 PolarHBondContact NE2-OH 3.05Å
107Q94.5Very high93.7Very high44 Ų4439.6 Ų39.621%0.20619%0.194CC..Hα-helixtrans-65.9-37178.9-71-179.752.400113.5F63 I66 T67 D103 L104 A109 T111F63-Q107 VanDerWaalsContact CE2-NE2 3.31Å; I66-Q107 HydrophobicContact CG2-CB 3.82Å; T67-Q107 VanDerWaalsContact CB-OE1 3.24Å; T67-Q107 VanDerWaalsContact OG1-CD 3.27Å; T67-Q107 PolarHBondContact OG1-NE2 3.39Å; T67-Q107 VanDerWaalsContact OG1-NE2 3.13Å; T67-Q107 PolarHBondContact OG1-OE1 2.9Å; D103-Q107 WeakPolarHBondContact O-CB 3.21Å; D103-Q107 VanDerWaalsContact O-CG 3.32Å; D103-Q107 WeakPolarHBondContact O-CG 3.25Å; D103-Q107 PolarHBondContact O-N 2.78Å; L104-Q107 PolarHBondContact O-N 2.97Å; Q107-A109 VanDerWaalsContact C-N 3.33Å; Q107-T111 WeakPolarHBondContact O-CB 3.38Å; Q107-T111 PolarHBondContact O-N 2.87Å; Q107-T111 PolarHBondContact O-OG1 3.49Å
108V95.8Very high94Very high0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-61.5-44.1173.6169.70000110.4I66 L104 W105 H106 L112 L125I66-V108 HydrophobicContact CD1-CG2 3.63Å; L104-V108 HydrophobicContact CD1-CG2 4.1Å; L104-V108 HydrophobicContact CG-CG2 4.45Å; L104-V108 VanDerWaalsContact O-CG2 3.28Å; L104-V108 WeakPolarHBondContact O-CG2 3.41Å; L104-V108 PolarHBondContact O-N 3.12Å; W105-V108 HydrophobicContact CE3-CB 4.23Å; W105-V108 HydrophobicContact CE3-CG1 4.27Å; W105-V108 HydrophobicContact CE3-CG2 4.28Å; W105-V108 HydrophobicContact CZ3-CG1 4.38Å; W105-V108 HydrophobicContact CZ3-CG2 4.46Å; W105-V108 PolarHBondContact O-N 3.04Å; H106-V108 PolarHBondContact O-N 2.97Å; V108-L112 HydrophobicContact CG1-CD1 3.91Å; V108-L112 WeakPolarHBondContact O-CB 3.4Å; V108-L112 VanDerWaalsContact O-CG 3.24Å; V108-L112 WeakPolarHBondContact O-CG 3.43Å; V108-L112 PolarHBondContact O-N 3.43Å; V108-L112 VanDerWaalsContact O-N 3.08Å; V108-L125 HydrophobicContact CG1-CD1 4.39Å
109A96.6Very high94.2Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-63.5-49.2178.900000111.5W105 H106 Q107 T111 L112 I113 L125 D145 M148 L149W105-A109 WeakPolarHBondContact O-CB 3.47Å; W105-A109 PolarHBondContact O-N 3.25Å; H106-A109 PolarHBondContact O-N 3.4Å; Q107-A109 VanDerWaalsContact C-N 3.33Å; A109-T111 PolarHBondContact O-N 3.03Å; A109-L112 PolarHBondContact O-N 3.48Å; A109-I113 WeakPolarHBondContact O-CG1 3.44Å; A109-I113 PolarHBondContact O-N 3.03Å; A109-L125 HydrophobicContact CB-CD2 4.33Å; A109-D145 HydrophobicContact CB-CB 3.91Å; A109-M148 HydrophobicContact CB-CE 4.03Å; A109-L149 HydrophobicContact CB-CD1 4.41Å; A109-L149 HydrophobicContact CB-CD2 4.24Å; A109-L149 HydrophobicContact CB-CG 4.3Å
110D95.3Very high94.5Very high83 Ų8342.7 Ų42.744%0.44421%0.211SC..Hα-helixtrans-60-46.6178.1-72-19000111.4H106 L112 I113 D114H106-D110 PolarHBondContact O-N 3Å; D110-L112 VanDerWaalsContact C-N 3.29Å; D110-L112 PolarHBondContact O-N 3.39Å; D110-I113 PolarHBondContact O-N 3.29Å; D110-I113 VanDerWaalsContact O-N 3.12Å; D110-D114 PolarHBondContact O-N 3.19Å
111T94.9Very high94.6Very high18 Ų1842.3 Ų42.311%0.1121%0.208CC..Hα-helixtrans-58.1-40.4177.6-61.80000112.1L78 Q107 A109 R115L78-T111 HydrophobicContact CD2-CG2 4.16Å; Q107-T111 WeakPolarHBondContact O-CB 3.38Å; Q107-T111 PolarHBondContact O-N 2.87Å; Q107-T111 PolarHBondContact O-OG1 3.49Å; A109-T111 PolarHBondContact O-N 3.03Å; T111-R115 WeakPolarHBondContact O-CB 3.35Å; T111-R115 WeakPolarHBondContact O-CD 3.35Å; T111-R115 WeakPolarHBondContact O-CG 3.47Å; T111-R115 PolarHBondContact O-N 2.84Å; T111-R115 VanDerWaalsContact O-N 3.13Å
112L95.6Very high94.8Very high0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-73.4-31.6179.5-72.1170.8000112.7T75 L78 I79 V108 A109 D110 K116 E117T75-L112 HydrophobicContact CG2-CD2 3.77Å; L78-L112 HydrophobicContact CD2-CD2 4.35Å; I79-L112 HydrophobicContact CD1-CD1 4.37Å; I79-L112 HydrophobicContact CD1-CD2 4.45Å; V108-L112 HydrophobicContact CG1-CD1 3.91Å; V108-L112 WeakPolarHBondContact O-CB 3.4Å; V108-L112 VanDerWaalsContact O-CG 3.24Å; V108-L112 WeakPolarHBondContact O-CG 3.43Å; V108-L112 PolarHBondContact O-N 3.43Å; V108-L112 VanDerWaalsContact O-N 3.08Å; A109-L112 PolarHBondContact O-N 3.48Å; D110-L112 VanDerWaalsContact C-N 3.29Å; D110-L112 PolarHBondContact O-N 3.39Å; L112-K116 PolarHBondContact O-N 3.5Å; L112-E117 CarbonylContact O-C 3.59Å; L112-E117 PolarHBondContact O-N 3.08Å
113I95Very high94.8Very high29 Ų2945.9 Ų45.915%0.14923%0.228CC..Hα-helixtrans-67.5-46.3173.4-70.2168.6000110A109 D110 R115 K116 P118 M148 L149 Y152A109-I113 WeakPolarHBondContact O-CG1 3.44Å; A109-I113 PolarHBondContact O-N 3.03Å; D110-I113 PolarHBondContact O-N 3.29Å; D110-I113 VanDerWaalsContact O-N 3.12Å; I113-R115 VanDerWaalsContact C-N 3.25Å; I113-R115 PolarHBondContact O-N 3.42Å; I113-K116 WeakPolarHBondContact O-CA 3.5Å; I113-K116 PolarHBondContact O-N 3.39Å; I113-P118 HydrophobicContact CG1-CB 4.46Å; I113-M148 HydrophobicContact CD1-CE 3.46Å; I113-M148 VanDerWaalsContact CD1-CE 3.46Å; I113-M148 HydrophobicContact CD1-CG 3.81Å; I113-M148 HydrophobicContact CD1-SD 3.62Å; I113-L149 HydrophobicContact CD1-CD2 4.1Å; I113-L149 HydrophobicContact CG1-CD2 3.84Å; I113-Y152 HydrophobicContact CD1-CD2 3.97Å; I113-Y152 HydrophobicContact CD1-CE2 4.05Å; I113-Y152 HydrophobicContact CG1-CD2 4.33Å; I113-Y152 HydrophobicContact CG1-CG 4.43Å; I113-Y152 HydrophobicContact CG2-CD1 4.33Å; I113-Y152 HydrophobicContact CG2-CE1 4.07Å
114D94Very high95Very high134 Ų13442.6 Ų42.672%0.71721%0.211SC*.Hα-helixtrans-60.1-37.7178.1-75.6-15.6000112.1D110 K116D110-D114 PolarHBondContact O-N 3.19Å; D114-K116 PolarHBondContact O-N 2.92Å
115R93Very high95.1Very high66 Ų6642.6 Ų42.625%0.24921%0.211CC..THydrogen-bonded Turntrans-76.5-5.5175-68.3171.3-174.8-141.30.2114.4A70 F73 T75 T111 I113 E117A70-R115 PolarHBondContact O-NH2 2.56Å; F73-R115 VanDerWaalsContact O-CZ 3.22Å; F73-R115 PolarHBondContact O-NH1 3.24Å; F73-R115 PolarHBondContact O-NH2 2.71Å; T75-R115 VanDerWaalsContact N-NH1 3.14Å; T75-R115 PolarHBondContact OG1-NH1 3.17Å; T111-R115 WeakPolarHBondContact O-CB 3.35Å; T111-R115 WeakPolarHBondContact O-CD 3.35Å; T111-R115 WeakPolarHBondContact O-CG 3.47Å; T111-R115 PolarHBondContact O-N 2.84Å; T111-R115 VanDerWaalsContact O-N 3.13Å; I113-R115 VanDerWaalsContact C-N 3.25Å; I113-R115 PolarHBondContact O-N 3.42Å; R115-E117 PolarHBondContact O-N 3.06Å
116K94Very high95.1Very high185 Ų18545.9 Ų45.980%0.80422%0.223SC*.THydrogen-bonded Turntrans60.227.6-175.5-52.9177.2-179.7176.80113.9L112 I113 D114 P118L112-K116 PolarHBondContact O-N 3.5Å; I113-K116 WeakPolarHBondContact O-CA 3.5Å; I113-K116 PolarHBondContact O-N 3.39Å; D114-K116 PolarHBondContact O-N 2.92Å; K116-P118 WeakPolarHBondContact O-CD 3.41Å
117E94.7Very high95Very high71 Ų7147.3 Ų47.333%0.33223%0.231SC..  trans-121.547.4176.4-63.5-172.9106.600113.2T75 L112 R115 S119 R120T75-E117 WeakPolarHBondContact CB-OE2 3.4Å; T75-E117 VanDerWaalsContact CG2-OE2 3.25Å; T75-E117 WeakPolarHBondContact CG2-OE2 3.35Å; T75-E117 PolarHBondContact OG1-OE2 3.4Å; L112-E117 CarbonylContact O-C 3.59Å; L112-E117 PolarHBondContact O-N 3.08Å; R115-E117 PolarHBondContact O-N 3.06Å; E117-S119 PolarHBondContact O-N 3.41Å; E117-S119 VanDerWaalsContact O-N 3.15Å; E117-R120 HydrophobicContact CB-CG 4.4Å; E117-R120 PolarHBondContact O-N 3.38Å
118P94.3Very high95.1Very high13 Ų1345.2 Ų45.28%0.08422%0.221CC..Hα-helixtrans-63.5-25.8-173.727.2-36.9000113.7I113 K116 R120 G121 L149I113-P118 HydrophobicContact CG1-CB 4.46Å; K116-P118 WeakPolarHBondContact O-CD 3.41Å; P118-R120 PolarHBondContact O-N 3.39Å; P118-G121 PolarHBondContact O-N 3.21Å; P118-L149 HydrophobicContact CB-CB 4.5Å; P118-L149 HydrophobicContact CB-CD2 3.71Å
119S94.9Very high95Very high69 Ų6945.2 Ų45.248%0.48322%0.221SC..Hα-helixtrans-61.4-28.5-178.856.50000113.2E117E117-S119 PolarHBondContact O-N 3.41Å; E117-S119 VanDerWaalsContact O-N 3.15Å
120R94Very high94.8Very high78 Ų7849.2 Ų49.229%0.29424%0.241SC..Hα-helixtrans-73.2-32.4-176.7-59.5-167.165.3176.20.3112.8N76 I79 E117 P118N76-R120 PolarHBondContact OD1-NH1 3.14Å; N76-R120 PolarHBondContact OD1-NH2 3.35Å; I79-R120 HydrophobicContact CD1-CB 4.11Å; I79-R120 HydrophobicContact CG1-CB 4.21Å; E117-R120 HydrophobicContact CB-CG 4.4Å; E117-R120 PolarHBondContact O-N 3.38Å; P118-R120 PolarHBondContact O-N 3.39Å
121G94.1Very high94.7Very high0 Ų049.7 Ų49.70%024%0.237CC..Hα-helixtrans-79.7-17.5-179.300000114.6P118 N123 C124 L125P118-G121 PolarHBondContact O-N 3.21Å; G121-N123 VanDerWaalsContact C-N 3.29Å; G121-N123 PolarHBondContact O-N 3.35Å; G121-C124 WeakPolarHBondContact O-CB 3.36Å; G121-C124 PolarHBondContact O-N 3.08Å; G121-L125 WeakPolarHBondContact O-CD1 3.48Å; G121-L125 PolarHBondContact O-N 3.28Å
122I96.4Very high94.5Very high5 Ų549.2 Ų49.23%0.02623%0.234CC..Hα-helixtrans-55.4-46.1-174.3-64.3173.8000111C124 L125 R126 L146 L149 S153 N155 P158I122-C124 VanDerWaalsContact C-N 3.35Å; I122-C124 PolarHBondContact O-N 2.99Å; I122-L125 PolarHBondContact O-N 2.86Å; I122-R126 HydrophobicContact CG2-CG 4.42Å; I122-R126 WeakPolarHBondContact O-CB 3.36Å; I122-R126 WeakPolarHBondContact O-CG 3.47Å; I122-R126 PolarHBondContact O-N 3.25Å; I122-L146 HydrophobicContact CG2-CD1 3.91Å; I122-L149 HydrophobicContact CG1-CB 3.98Å; I122-S153 VanDerWaalsContact CD1-OG 3.32Å; I122-S153 WeakPolarHBondContact CD1-OG 3.42Å; I122-N155 HydrophobicContact CD1-CB 4.07Å; I122-P158 HydrophobicContact CG2-CB 3.59Å; I122-P158 HydrophobicContact CG2-CG 3.91Å
123N95.3Very high94.1Very high81 Ų8149.7 Ų49.743%0.43324%0.236SC..Hα-helixtrans-68.1-36.9-179.5-16461.6000112.1G121 R126 L127G121-N123 VanDerWaalsContact C-N 3.29Å; G121-N123 PolarHBondContact O-N 3.35Å; N123-R126 PolarHBondContact O-N 2.87Å; N123-L127 WeakPolarHBondContact O-CB 3.36Å; N123-L127 WeakPolarHBondContact O-CG 3.46Å; N123-L127 PolarHBondContact O-N 3.37Å
124C95.7Very high93.6Very high2 Ų252.1 Ų52.11%0.01425%0.254CS..Hα-helixtrans-60.9-50.5175.5-59.60000110.9L86 W105 G121 I122 R126 L127 A128L86-C124 HydrophobicContact CD1-CB 3.9Å; L86-C124 WeakPolarHBondContact CD1-O 3.17Å; W105-C124 HydrophobicContact CH2-CB 4.45Å; W105-C124 HydrophobicContact CZ3-CB 3.9Å; G121-C124 WeakPolarHBondContact O-CB 3.36Å; G121-C124 PolarHBondContact O-N 3.08Å; I122-C124 VanDerWaalsContact C-N 3.35Å; I122-C124 PolarHBondContact O-N 2.99Å; C124-R126 VanDerWaalsContact C-N 3.33Å; C124-R126 PolarHBondContact O-N 3.38Å; C124-L127 PolarHBondContact O-N 3.48Å; C124-A128 WeakPolarHBondContact O-CB 3.36Å; C124-A128 PolarHBondContact O-N 3.44Å
125L96.7Very high93.2Very high0 Ų048 Ų480%024%0.236CC..Hα-helixtrans-66.2-34.6-179.7-85.473.5000112.5W105 V108 A109 G121 I122 A128 I129 I142 D145 L146 L149W105-L125 HydrophobicContact CE3-CD1 3.95Å; W105-L125 HydrophobicContact CE3-CG 4.4Å; V108-L125 HydrophobicContact CG1-CD1 4.39Å; A109-L125 HydrophobicContact CB-CD2 4.33Å; G121-L125 WeakPolarHBondContact O-CD1 3.48Å; G121-L125 PolarHBondContact O-N 3.28Å; I122-L125 PolarHBondContact O-N 2.86Å; L125-A128 WeakPolarHBondContact O-CB 3.33Å; L125-A128 PolarHBondContact O-N 3.45Å; L125-I129 WeakPolarHBondContact O-CG1 3.03Å; L125-I129 PolarHBondContact O-N 3.3Å; L125-I142 HydrophobicContact CB-CG2 4.19Å; L125-I142 HydrophobicContact CD2-CG2 4.16Å; L125-I142 HydrophobicContact CG-CG2 4Å; L125-D145 HydrophobicContact CD2-CB 3.44Å; L125-D145 VanDerWaalsContact CD2-CB 3.44Å; L125-L146 HydrophobicContact CB-CB 4.24Å; L125-L146 HydrophobicContact CB-CD1 4.23Å; L125-L146 HydrophobicContact CD2-CB 4.37Å; L125-L149 HydrophobicContact CD1-CD1 3.84Å; L125-L149 HydrophobicContact CD2-CD1 3.85Å; L125-L149 HydrophobicContact CD2-CG 4.49Å; L125-L149 HydrophobicContact CG-CD1 4.39Å
126R96.1Very high93Very high69 Ų6947.5 Ų47.526%0.2624%0.238SC..Hα-helixtrans-60.8-48.8172.7-72.8173.174.1-131.8-1.9111.7I122 N123 C124 A128 I129 I130 L146 P158 F162I122-R126 HydrophobicContact CG2-CG 4.42Å; I122-R126 WeakPolarHBondContact O-CB 3.36Å; I122-R126 WeakPolarHBondContact O-CG 3.47Å; I122-R126 PolarHBondContact O-N 3.25Å; N123-R126 PolarHBondContact O-N 2.87Å; C124-R126 VanDerWaalsContact C-N 3.33Å; C124-R126 PolarHBondContact O-N 3.38Å; R126-A128 VanDerWaalsContact C-N 3.31Å; R126-I129 PolarHBondContact O-N 3.3Å; R126-I130 WeakPolarHBondContact O-CB 3.41Å; R126-I130 WeakPolarHBondContact O-CD1 3.16Å; R126-I130 VanDerWaalsContact O-CG1 3.25Å; R126-I130 WeakPolarHBondContact O-CG1 3.4Å; R126-I130 PolarHBondContact O-N 2.71Å; R126-L146 HydrophobicContact CG-CD1 3.65Å; R126-L146 HydrophobicContact CG-CD2 3.83Å; R126-L146 HydrophobicContact CG-CG 4.42Å; R126-P158 PolarHBondContact NE-O 3.23Å; R126-F162 HydrophobicContact CB-CE2 4.37Å; R126-F162 HydrophobicContact CB-CZ 4.12Å; R126-F162 HydrophobicContact CG-CE2 3.79Å; R126-F162 HydrophobicContact CG-CZ 4.03Å
127L95Very high92.7Very high47 Ų4742.4 Ų42.425%0.24622%0.217CC..Hα-helixtrans-66.2-36.6178.4-71.6175.9000111.4L86 N123 C124 I129 I130 R131L86-L127 HydrophobicContact CD1-CB 4.06Å; N123-L127 WeakPolarHBondContact O-CB 3.36Å; N123-L127 WeakPolarHBondContact O-CG 3.46Å; N123-L127 PolarHBondContact O-N 3.37Å; C124-L127 PolarHBondContact O-N 3.48Å; L127-I129 PolarHBondContact O-N 3.34Å; L127-I130 PolarHBondContact O-N 2.86Å; L127-R131 VanDerWaalsContact O-CB 3.23Å; L127-R131 WeakPolarHBondContact O-CB 3.4Å; L127-R131 WeakPolarHBondContact O-CG 3.48Å; L127-R131 PolarHBondContact O-N 3.01Å
128A95.3Very high92.4Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-56.1-50.3174.700000111.2L86 Y101 W105 C124 L125 R126 F132 I142L86-A128 VanDerWaalsContact CD2-CA 3.48Å; L86-A128 HydrophobicContact CD2-CB 3.85Å; Y101-A128 WeakPolarHBondContact OH-CA 3.47Å; Y101-A128 WeakPolarHBondContact OH-CB 3.35Å; Y101-A128 PolarHBondContact OH-O 3.22Å; W105-A128 HydrophobicContact CD2-CB 3.87Å; W105-A128 VanDerWaalsContact CE2-CB 3.49Å; W105-A128 HydrophobicContact CE3-CB 4.46Å; W105-A128 HydrophobicContact CG-CB 4.26Å; W105-A128 HydrophobicContact CH2-CB 4.46Å; W105-A128 HydrophobicContact CZ2-CB 3.84Å; C124-A128 WeakPolarHBondContact O-CB 3.36Å; C124-A128 PolarHBondContact O-N 3.44Å; L125-A128 WeakPolarHBondContact O-CB 3.33Å; L125-A128 PolarHBondContact O-N 3.45Å; R126-A128 VanDerWaalsContact C-N 3.31Å; A128-F132 WeakPolarHBondContact O-CB 3.48Å; A128-F132 PolarHBondContact O-N 3.41Å; A128-F132 VanDerWaalsContact O-N 3.11Å; A128-I142 HydrophobicContact CB-CD1 4.32Å
129I94.4Very high92.3Very high0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-62.6-58.5176.9-63.3163.3000110.4L125 R126 L127 R131 F132 V133 L136 I142 H143 L146 F162L125-I129 WeakPolarHBondContact O-CG1 3.03Å; L125-I129 PolarHBondContact O-N 3.3Å; R126-I129 PolarHBondContact O-N 3.3Å; L127-I129 PolarHBondContact O-N 3.34Å; I129-R131 PolarHBondContact O-N 3.27Å; I129-R131 VanDerWaalsContact O-N 3.14Å; I129-F132 PolarHBondContact O-N 2.78Å; I129-F132 VanDerWaalsContact O-N 3.1Å; I129-V133 HydrophobicContact CG2-CG2 4.02Å; I129-V133 VanDerWaalsContact O-CG2 3.22Å; I129-V133 WeakPolarHBondContact O-CG2 3.46Å; I129-V133 PolarHBondContact O-N 2.88Å; I129-L136 HydrophobicContact CG2-CD2 4.29Å; I129-I142 HydrophobicContact CD1-CB 4.31Å; I129-I142 HydrophobicContact CD1-CG2 4.06Å; I129-I142 HydrophobicContact CG1-CB 3.86Å; I129-I142 HydrophobicContact CG1-CG2 3.75Å; I129-H143 VanDerWaalsContact CG2-CE1 3.42Å; I129-H143 WeakPolarHBondContact CG2-CE1 3.49Å; I129-L146 HydrophobicContact CD1-CB 4.27Å; I129-L146 HydrophobicContact CD1-CD2 3.86Å; I129-F162 HydrophobicContact CB-CE1 3.99Å; I129-F162 HydrophobicContact CD1-CD1 4.35Å; I129-F162 HydrophobicContact CD1-CE1 4.14Å; I129-F162 HydrophobicContact CG2-CD1 4.09Å; I129-F162 HydrophobicContact CG2-CE1 3.69Å
130I93.1Very high92.2Very high83 Ų8336.3 Ų36.343%0.42618%0.18SC..Hα-helixtrans-57.2-36.2-172-69.1164.3000112.2R126 L127 L136 F162R126-I130 WeakPolarHBondContact O-CB 3.41Å; R126-I130 WeakPolarHBondContact O-CD1 3.16Å; R126-I130 VanDerWaalsContact O-CG1 3.25Å; R126-I130 WeakPolarHBondContact O-CG1 3.4Å; R126-I130 PolarHBondContact O-N 2.71Å; L127-I130 PolarHBondContact O-N 2.86Å; I130-L136 HydrophobicContact CG1-CD2 4.1Å; I130-F162 HydrophobicContact CD1-CZ 4.01Å; I130-F162 HydrophobicContact CG1-CE1 4.09Å; I130-F162 HydrophobicContact CG1-CZ 4.03Å
131R92.6Very high92.2Very high94 Ų9433 Ų3336%0.35517%0.168SC..Hα-helixtrans-87.4-22.2-178-74.7-156.355.3168.1-3.1114.4L86 D87 F89 L127 I129L86-R131 WeakPolarHBondContact O-CD 3.36Å; L86-R131 PolarHBondContact O-NE 2.98Å; L86-R131 PolarHBondContact O-NH1 2.72Å; D87-R131 PolarHBondContact O-NH1 3.23Å; F89-R131 HydrophobicContact CE1-CB 3.53Å; F89-R131 HydrophobicContact CE1-CG 4.34Å; F89-R131 HydrophobicContact CZ-CB 3.38Å; F89-R131 PolarHBondContact O-NH2 2.99Å; L127-R131 VanDerWaalsContact O-CB 3.23Å; L127-R131 WeakPolarHBondContact O-CB 3.4Å; L127-R131 WeakPolarHBondContact O-CG 3.48Å; L127-R131 PolarHBondContact O-N 3.01Å; I129-R131 PolarHBondContact O-N 3.27Å; I129-R131 VanDerWaalsContact O-N 3.14Å
132F91Very high92.3Very high8 Ų833 Ų334%0.03517%0.168CC..Hα-helixtrans-85.7-49.4-178.7-179.6-108.9000111.5V94 A98 Y101 F102 A128 I129 T140 F171V94-F132 HydrophobicContact CB-CD2 4.36Å; V94-F132 HydrophobicContact CB-CE2 4.24Å; V94-F132 HydrophobicContact CG1-CD2 3.81Å; V94-F132 HydrophobicContact CG1-CE2 3.64Å; A98-F132 HydrophobicContact CB-CZ 4.26Å; Y101-F132 HydrophobicContact CD1-CD1 4.46Å; Y101-F132 HydrophobicContact CD1-CD2 4.09Å; Y101-F132 HydrophobicContact CD1-CE2 4.28Å; Y101-F132 HydrophobicContact CD1-CG 4.19Å; Y101-F132 HydrophobicContact CE1-CB 3.81Å; Y101-F132 HydrophobicContact CE1-CD1 4.11Å; Y101-F132 AromaticContact CE1-CD2 3.84Å; Y101-F132 HydrophobicContact CE1-CD2 3.84Å; Y101-F132 HydrophobicContact CE1-CE2 4.47Å; Y101-F132 AromaticContact CE1-CG 3.64Å; Y101-F132 HydrophobicContact CE1-CG 3.64Å; F102-F132 HydrophobicContact CE1-CD1 4.1Å; F102-F132 AromaticContact CE1-CE1 3.65Å; F102-F132 HydrophobicContact CE1-CE1 3.65Å; F102-F132 HydrophobicContact CE1-CZ 4.35Å; F102-F132 HydrophobicContact CZ-CD1 4.43Å; F102-F132 AromaticContact CZ-CE1 3.57Å; F102-F132 HydrophobicContact CZ-CE1 3.57Å; F102-F132 HydrophobicContact CZ-CZ 4.13Å; A128-F132 WeakPolarHBondContact O-CB 3.48Å; A128-F132 PolarHBondContact O-N 3.41Å; A128-F132 VanDerWaalsContact O-N 3.11Å; I129-F132 PolarHBondContact O-N 2.78Å; I129-F132 VanDerWaalsContact O-N 3.1Å; F132-T140 HydrophobicContact CD1-CG2 4.48Å; F132-F171 HydrophobicContact CD1-CE2 4.43Å; F132-F171 AromaticContact CE1-CD2 3.77Å; F132-F171 HydrophobicContact CE1-CD2 3.77Å; F132-F171 AromaticContact CE1-CE2 3.29Å; F132-F171 HydrophobicContact CE1-CE2 3.29Å; F132-F171 AromaticContact CE1-CZ 3.79Å; F132-F171 HydrophobicContact CE1-CZ 3.79Å; F132-F171 HydrophobicContact CZ-CD2 4.45Å; F132-F171 AromaticContact CZ-CE2 3.55Å; F132-F171 HydrophobicContact CZ-CE2 3.55Å; F132-F171 AromaticContact CZ-CZ 3.68Å; F132-F171 HydrophobicContact CZ-CZ 3.68Å
133V87.3Confident92.3Very high9 Ų932.8 Ų32.86%0.05517%0.167CC..  trans-85.1143.4-179.4-68.50000112.4I129 S135 I138 T140I129-V133 HydrophobicContact CG2-CG2 4.02Å; I129-V133 VanDerWaalsContact O-CG2 3.22Å; I129-V133 WeakPolarHBondContact O-CG2 3.46Å; I129-V133 PolarHBondContact O-N 2.88Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 VanDerWaalsContact CG2-O 3.25Å; V133-S135 WeakPolarHBondContact CG2-O 2.87Å; V133-I138 HydrophobicContact CB-CB 4.4Å; V133-I138 HydrophobicContact CG1-CB 4.2Å; V133-I138 HydrophobicContact CG1-CG2 4.06Å; V133-T140 HydrophobicContact CG1-CG2 3.31Å
134P83.6Confident92.3Very high80 Ų8029 Ų2952%0.51915%0.147SC..SBendtrans-73.8-22.1176.828.2-33.6000113.3I138 L190P134-I138 HydrophobicContact CG-CD1 3.72Å; P134-L190 HydrophobicContact CB-CD1 3.6Å; P134-L190 HydrophobicContact CB-CD2 3.76Å; P134-L190 HydrophobicContact CB-CG 4.3Å; P134-L190 HydrophobicContact CG-CD1 3.36Å; P134-L190 HydrophobicContact CG-CD2 3.89Å; P134-L190 HydrophobicContact CG-CG 4.12Å
135S85.9Confident92.3Very high48 Ų4829.3 Ų29.334%0.33615%0.149SC..  trans-141.7143.8176.8179.60000110V133 E137 I138V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 VanDerWaalsContact CG2-O 3.25Å; V133-S135 WeakPolarHBondContact CG2-O 2.87Å; S135-E137 PolarHBondContact O-N 2.99Å; S135-E137 PolarHBondContact OG-N 3.31Å; S135-I138 PolarHBondContact O-N 2.96Å
136L87.7Confident92.4Very high56 Ų5629.3 Ų29.329%0.29315%0.149SC..THydrogen-bonded Turntrans-71.9-7.6174.2-64.9-179000113.2I129 I130 I138 F162 V165I129-L136 HydrophobicContact CG2-CD2 4.29Å; I130-L136 HydrophobicContact CG1-CD2 4.1Å; L136-I138 PolarHBondContact O-N 3.1Å; L136-F162 HydrophobicContact CD2-CD1 4.19Å; L136-F162 HydrophobicContact CD2-CE1 3.92Å; L136-V165 HydrophobicContact CB-CG1 4.37Å; L136-V165 HydrophobicContact CB-CG2 4.33Å
137E87.8Confident92.5Very high78 Ų7826 Ų2636%0.36414%0.137SC..THydrogen-bonded Turntrans-76.6-8.8172.6-56.7178.5-172.800112.6S135 V165 I167 S168 A169S135-E137 PolarHBondContact O-N 2.99Å; S135-E137 PolarHBondContact OG-N 3.31Å; E137-V165 HydrophobicContact CB-CG1 4.37Å; E137-V165 HydrophobicContact CG-CG1 3.76Å; E137-I167 CarbonylContact O-C 3.58Å; E137-I167 WeakPolarHBondContact O-CA 3.32Å; E137-I167 WeakPolarHBondContact O-CG2 3.23Å; E137-S168 WeakPolarHBondContact CB-OG 3.46Å; E137-S168 PolarHBondContact O-N 2.84Å; E137-S168 PolarHBondContact OE2-OG 2.98Å; E137-A169 PolarHBondContact O-N 2.91Å
138I89.7Confident92.6Very high22 Ų2224.9 Ų24.911%0.11313%0.13CC..EExtended strand (participates in β ladder)trans-92.1115.7176.6-60.4168.5000109.3V133 P134 S135 L136 H143 A169 F171V133-I138 HydrophobicContact CB-CB 4.4Å; V133-I138 HydrophobicContact CG1-CB 4.2Å; V133-I138 HydrophobicContact CG1-CG2 4.06Å; P134-I138 HydrophobicContact CG-CD1 3.72Å; S135-I138 PolarHBondContact O-N 2.96Å; L136-I138 PolarHBondContact O-N 3.1Å; I138-H143 PolarHBondContact O-CE1 2.77Å; I138-A169 WeakPolarHBondContact CA-O 3.43Å; I138-A169 HydrophobicContact CG1-CB 4.45Å; I138-F171 HydrophobicContact CG2-CB 4.02Å
139L91.9Very high92.7Very high1 Ų124.9 Ų24.91%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-76.9127.7176.5-179.166.8000111H143 I167 A169 F171 F199 Y204 Y207L139-H143 HydrophobicContact CD1-CB 3.78Å; L139-I167 HydrophobicContact CB-CD1 4.34Å; L139-I167 HydrophobicContact CB-CG1 4.49Å; L139-I167 HydrophobicContact CB-CG2 3.68Å; L139-A169 PolarHBondContact N-O 3.09Å; L139-F171 VanDerWaalsContact O-CB 3.3Å; L139-F171 WeakPolarHBondContact O-CB 3.48Å; L139-F171 PolarHBondContact O-N 3.25Å; L139-F199 HydrophobicContact CD2-CZ 3.93Å; L139-F199 HydrophobicContact CG-CE2 4.31Å; L139-F199 HydrophobicContact CG-CZ 4.14Å; L139-Y204 HydrophobicContact CD2-CD2 3.49Å; L139-Y204 VanDerWaalsContact CD2-CD2 3.49Å; L139-Y204 HydrophobicContact CD2-CE2 4.21Å; L139-Y204 HydrophobicContact CD2-CG 4.27Å; L139-Y207 HydrophobicContact CD1-CD1 4.14Å; L139-Y207 HydrophobicContact CD1-CD2 3.45Å; L139-Y207 VanDerWaalsContact CD1-CD2 3.45Å; L139-Y207 HydrophobicContact CD1-CE1 4.43Å; L139-Y207 HydrophobicContact CD1-CE2 3.77Å; L139-Y207 HydrophobicContact CD1-CG 3.65Å; L139-Y207 HydrophobicContact CD2-CD1 4.26Å; L139-Y207 HydrophobicContact CD2-CG 4.34Å
140T93.2Very high92.8Very high1 Ų124.9 Ų24.91%0.00613%0.13CC..  trans-116.5158.2173.2680000111.1F102 F132 V133 I142 H143 F171F102-T140 HydrophobicContact CE1-CG2 4.41Å; F132-T140 HydrophobicContact CD1-CG2 4.48Å; V133-T140 HydrophobicContact CG1-CG2 3.31Å; T140-I142 PolarHBondContact O-N 3.32Å; T140-I142 VanDerWaalsContact O-N 3.16Å; T140-H143 PolarHBondContact N-CE1 3.16Å; T140-H143 PolarHBondContact N-ND1 3.06Å; T140-H143 WeakPolarHBondContact O-CB 3.29Å; T140-H143 PolarHBondContact O-N 2.91Å; T140-H143 VanDerWaalsContact O-N 3.1Å; T140-H143 PolarHBondContact O-ND1 2.83Å; T140-H143 VanDerWaalsContact O-ND1 3.17Å; T140-H143 PolarHBondContact OG1-CE1 3.34Å; T140-H143 PolarHBondContact OG1-ND1 3.02Å; T140-F171 HydrophobicContact CG2-CB 4.11Å; T140-F171 HydrophobicContact CG2-CD2 4.42Å; T140-F171 HydrophobicContact CG2-CG 4.47Å
141P93.6Very high93Very high8 Ų823.2 Ų23.25%0.05212%0.122CC..THydrogen-bonded Turntrans-52-37.2174.4-29.737.7000113.9F102 H106 H143 S144 F199 Y203F102-P141 HydrophobicContact CB-CB 4.46Å; F102-P141 HydrophobicContact CD1-CG 4.45Å; F102-P141 HydrophobicContact CD2-CG 4.04Å; F102-P141 HydrophobicContact CE2-CG 4.34Å; F102-P141 HydrophobicContact CG-CB 4.42Å; F102-P141 HydrophobicContact CG-CG 4.09Å; H106-P141 WeakPolarHBondContact NE2-CB 3.34Å; P141-H143 PolarHBondContact O-N 3.3Å; P141-H143 VanDerWaalsContact O-N 3.08Å; P141-S144 PolarHBondContact O-N 2.7Å; P141-S144 PolarHBondContact O-OG 3.28Å; P141-F199 HydrophobicContact CG-CD2 4.26Å; P141-F199 HydrophobicContact CG-CE2 4.09Å; P141-Y203 HydrophobicContact CB-CD1 3.98Å; P141-Y203 HydrophobicContact CB-CD2 3.82Å; P141-Y203 HydrophobicContact CB-CE1 4.27Å; P141-Y203 HydrophobicContact CB-CE2 4.14Å; P141-Y203 HydrophobicContact CB-CG 3.73Å; P141-Y203 HydrophobicContact CG-CD2 4.05Å; P141-Y203 HydrophobicContact CG-CE2 4.47Å; P141-Y203 HydrophobicContact CG-CG 4.34Å
142I95.7Very high93.1Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-58.5-25.7-178.4-50.2170.1000112.7Y101 F102 W105 L125 A128 I129 T140 S144 D145 L146Y101-I142 HydrophobicContact CD1-CD1 3.99Å; Y101-I142 HydrophobicContact CE1-CD1 3.48Å; Y101-I142 VanDerWaalsContact CE1-CD1 3.48Å; F102-I142 HydrophobicContact CD1-CD1 3.74Å; F102-I142 HydrophobicContact CD1-CG1 3.72Å; F102-I142 HydrophobicContact CE1-CD1 4.05Å; F102-I142 HydrophobicContact CE1-CG1 4.29Å; W105-I142 HydrophobicContact CB-CD1 4.4Å; W105-I142 HydrophobicContact CB-CG1 4.13Å; W105-I142 HydrophobicContact CB-CG2 4.19Å; W105-I142 VanDerWaalsContact CD1-CD1 3.45Å; W105-I142 HydrophobicContact CG-CD1 4.1Å; W105-I142 HydrophobicContact CG-CG1 4.37Å; W105-I142 HydrophobicContact CG-CG2 4.45Å; L125-I142 HydrophobicContact CB-CG2 4.19Å; L125-I142 HydrophobicContact CD2-CG2 4.16Å; L125-I142 HydrophobicContact CG-CG2 4Å; A128-I142 HydrophobicContact CB-CD1 4.32Å; I129-I142 HydrophobicContact CD1-CB 4.31Å; I129-I142 HydrophobicContact CD1-CG2 4.06Å; I129-I142 HydrophobicContact CG1-CB 3.86Å; I129-I142 HydrophobicContact CG1-CG2 3.75Å; T140-I142 PolarHBondContact O-N 3.32Å; T140-I142 VanDerWaalsContact O-N 3.16Å; I142-S144 PolarHBondContact O-N 3.49Å; I142-D145 VanDerWaalsContact CA-OD2 3.31Å; I142-D145 WeakPolarHBondContact CA-OD2 3.49Å; I142-D145 PolarHBondContact O-N 2.72Å; I142-L146 PolarHBondContact O-N 2.81Å
143H95.6Very high93.3Very high1 Ų126.9 Ų26.91%0.00514%0.141CC..Hα-helixtrans-59.8-38.9177.4-73.879.2000111.6I129 I138 L139 T140 P141 L146 F147 F162 Y207I129-H143 VanDerWaalsContact CG2-CE1 3.42Å; I129-H143 WeakPolarHBondContact CG2-CE1 3.49Å; I138-H143 PolarHBondContact O-CE1 2.77Å; L139-H143 HydrophobicContact CD1-CB 3.78Å; T140-H143 PolarHBondContact N-CE1 3.16Å; T140-H143 PolarHBondContact N-ND1 3.06Å; T140-H143 WeakPolarHBondContact O-CB 3.29Å; T140-H143 PolarHBondContact O-N 2.91Å; T140-H143 VanDerWaalsContact O-N 3.1Å; T140-H143 PolarHBondContact O-ND1 2.83Å; T140-H143 VanDerWaalsContact O-ND1 3.17Å; T140-H143 PolarHBondContact OG1-CE1 3.34Å; T140-H143 PolarHBondContact OG1-ND1 3.02Å; P141-H143 PolarHBondContact O-N 3.3Å; P141-H143 VanDerWaalsContact O-N 3.08Å; H143-L146 PolarHBondContact O-N 2.71Å; H143-F147 WeakPolarHBondContact O-CD1 3.38Å; H143-F147 VanDerWaalsContact O-CG 3.27Å; H143-F147 WeakPolarHBondContact O-CG 3.38Å; H143-F147 PolarHBondContact O-N 3.42Å; H143-F147 VanDerWaalsContact O-N 3.11Å; H143-F162 AromaticContact NE2-CD1 3.83Å; H143-Y207 HydrophobicContact CB-CD2 3.87Å; H143-Y207 HydrophobicContact CB-CE2 4.41Å
144S95.8Very high93.7Very high1 Ų131.4 Ų31.41%0.00717%0.173CC..Hα-helixtrans-66.8-39.6178.870.60000111.8P141 I142 F147 M148 Y203 Y210P141-S144 PolarHBondContact O-N 2.7Å; P141-S144 PolarHBondContact O-OG 3.28Å; I142-S144 PolarHBondContact O-N 3.49Å; S144-F147 PolarHBondContact O-N 3.27Å; S144-M148 WeakPolarHBondContact O-CB 3.36Å; S144-M148 PolarHBondContact O-N 2.92Å; S144-Y203 WeakPolarHBondContact OG-CD1 3.48Å; S144-Y210 WeakPolarHBondContact O-CD2 3.48Å
145D97Very high94.3Very high10 Ų1031 Ų315%0.05317%0.167CC..Hα-helixtrans-68.2-39.5177.1-50.7-78.6000111.9H106 A109 L125 I142 F147 M148 L149H106-D145 IonicContact CE1-OD1 3.57Å; H106-D145 IonicContact CE1-OD2 3.74Å; H106-D145 PolarHBondContact CE1-OD2 3.4Å; H106-D145 IonicContact CG-OD1 3.28Å; H106-D145 IonicContact ND1-OD1 3.61Å; H106-D145 PolarHBondContact ND1-OD1 3.49Å; H106-D145 IonicContact ND1-OD2 2.7Å; H106-D145 PolarHBondContact ND1-OD2 2.79Å; A109-D145 HydrophobicContact CB-CB 3.91Å; L125-D145 HydrophobicContact CD2-CB 3.44Å; L125-D145 VanDerWaalsContact CD2-CB 3.44Å; I142-D145 VanDerWaalsContact CA-OD2 3.31Å; I142-D145 WeakPolarHBondContact CA-OD2 3.49Å; I142-D145 PolarHBondContact O-N 2.72Å; D145-F147 VanDerWaalsContact C-N 3.3Å; D145-F147 PolarHBondContact O-N 2.93Å; D145-M148 WeakPolarHBondContact O-CB 3.47Å; D145-M148 PolarHBondContact O-N 3.34Å; D145-L149 WeakPolarHBondContact O-CG 3.43Å; D145-L149 PolarHBondContact O-N 3.11Å
146L97.6Very high94.7Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-57.9-47.1174.3172.360000110.4I122 L125 R126 I129 I142 H143 M148 L149 C150 F162I122-L146 HydrophobicContact CG2-CD1 3.91Å; L125-L146 HydrophobicContact CB-CB 4.24Å; L125-L146 HydrophobicContact CB-CD1 4.23Å; L125-L146 HydrophobicContact CD2-CB 4.37Å; R126-L146 HydrophobicContact CG-CD1 3.65Å; R126-L146 HydrophobicContact CG-CD2 3.83Å; R126-L146 HydrophobicContact CG-CG 4.42Å; I129-L146 HydrophobicContact CD1-CB 4.27Å; I129-L146 HydrophobicContact CD1-CD2 3.86Å; I142-L146 PolarHBondContact O-N 2.81Å; H143-L146 PolarHBondContact O-N 2.71Å; L146-M148 VanDerWaalsContact C-N 3.34Å; L146-L149 PolarHBondContact O-N 2.88Å; L146-C150 PolarHBondContact O-N 3.29Å; L146-F162 HydrophobicContact CD2-CD2 3.6Å; L146-F162 HydrophobicContact CD2-CE1 4.5Å; L146-F162 HydrophobicContact CD2-CE2 3.58Å; L146-F162 HydrophobicContact CD2-CG 4.11Å; L146-F162 HydrophobicContact CD2-CZ 4.04Å
147F97.8Very high95Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-67.5-38.2-179.8-65.4-5.7000111.7H143 S144 D145 C150 L151 A159 F162 L163 Y207 Y210 I214H143-F147 WeakPolarHBondContact O-CD1 3.38Å; H143-F147 VanDerWaalsContact O-CG 3.27Å; H143-F147 WeakPolarHBondContact O-CG 3.38Å; H143-F147 PolarHBondContact O-N 3.42Å; H143-F147 VanDerWaalsContact O-N 3.11Å; S144-F147 PolarHBondContact O-N 3.27Å; D145-F147 VanDerWaalsContact C-N 3.3Å; D145-F147 PolarHBondContact O-N 2.93Å; F147-C150 PolarHBondContact O-N 3.39Å; F147-L151 VanDerWaalsContact O-CG 3.32Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 3.18Å; F147-A159 HydrophobicContact CD1-CB 3.69Å; F147-A159 HydrophobicContact CE1-CB 3.77Å; F147-F162 HydrophobicContact CE1-CB 3.99Å; F147-F162 HydrophobicContact CZ-CB 4.08Å; F147-L163 HydrophobicContact CD2-CD2 4.22Å; F147-L163 HydrophobicContact CE1-CD2 4.38Å; F147-L163 HydrophobicContact CE1-CG 4.08Å; F147-L163 HydrophobicContact CE2-CD2 3.3Å; F147-L163 HydrophobicContact CE2-CG 3.91Å; F147-L163 HydrophobicContact CZ-CD1 4.41Å; F147-L163 HydrophobicContact CZ-CD2 3.42Å; F147-L163 VanDerWaalsContact CZ-CD2 3.42Å; F147-L163 HydrophobicContact CZ-CG 3.51Å; F147-Y207 HydrophobicContact CD2-CD2 4.07Å; F147-Y207 AromaticContact CE2-CD2 3.28Å; F147-Y207 HydrophobicContact CE2-CD2 3.28Å; F147-Y207 AromaticContact CE2-CE2 3.38Å; F147-Y207 HydrophobicContact CE2-CE2 3.38Å; F147-Y207 HydrophobicContact CE2-CG 4.23Å; F147-Y207 AromaticContact CZ-CD2 3.93Å; F147-Y207 HydrophobicContact CZ-CD2 3.93Å; F147-Y207 AromaticContact CZ-CE2 3.66Å; F147-Y207 HydrophobicContact CZ-CE2 3.66Å; F147-Y210 HydrophobicContact CB-CD2 4.38Å; F147-Y210 HydrophobicContact CB-CG 4.46Å; F147-I214 HydrophobicContact CB-CD1 3.69Å; F147-I214 HydrophobicContact CD1-CD1 4.01Å; F147-I214 HydrophobicContact CD2-CD1 4.43Å; F147-I214 HydrophobicContact CG-CD1 3.8Å
148M97.1Very high95.4Very high22 Ų2232.2 Ų32.211%0.10817%0.166CC..Hα-helixtrans-56.9-52172.2-175.6175.35800110.9A109 I113 S144 D145 L146 C150 L151 Y152 Y210A109-M148 HydrophobicContact CB-CE 4.03Å; I113-M148 HydrophobicContact CD1-CE 3.46Å; I113-M148 VanDerWaalsContact CD1-CE 3.46Å; I113-M148 HydrophobicContact CD1-CG 3.81Å; I113-M148 HydrophobicContact CD1-SD 3.62Å; S144-M148 WeakPolarHBondContact O-CB 3.36Å; S144-M148 PolarHBondContact O-N 2.92Å; D145-M148 WeakPolarHBondContact O-CB 3.47Å; D145-M148 PolarHBondContact O-N 3.34Å; L146-M148 VanDerWaalsContact C-N 3.34Å; M148-C150 VanDerWaalsContact C-N 3.33Å; M148-C150 PolarHBondContact O-N 2.81Å; M148-L151 PolarHBondContact O-N 3.44Å; M148-L151 VanDerWaalsContact O-N 3.12Å; M148-Y152 HydrophobicContact CG-CD2 3.75Å; M148-Y152 HydrophobicContact CG-CE2 3.74Å; M148-Y152 WeakPolarHBondContact O-CD2 3.45Å; M148-Y152 PolarHBondContact O-N 3.18Å; M148-Y152 HydrophobicContact SD-CE2 4.36Å; M148-Y210 HydrophobicContact CB-CD2 4.21Å; M148-Y210 HydrophobicContact CB-CE2 3.86Å; M148-Y210 HydrophobicContact CG-CE2 4.38Å
149L97.4Very high95.6Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-60.5-40.5177.9-67.3-173.9000112.6A109 I113 P118 I122 L125 D145 L146 L151 Y152 S153A109-L149 HydrophobicContact CB-CD1 4.41Å; A109-L149 HydrophobicContact CB-CD2 4.24Å; A109-L149 HydrophobicContact CB-CG 4.3Å; I113-L149 HydrophobicContact CD1-CD2 4.1Å; I113-L149 HydrophobicContact CG1-CD2 3.84Å; P118-L149 HydrophobicContact CB-CB 4.5Å; P118-L149 HydrophobicContact CB-CD2 3.71Å; I122-L149 HydrophobicContact CG1-CB 3.98Å; L125-L149 HydrophobicContact CD1-CD1 3.84Å; L125-L149 HydrophobicContact CD2-CD1 3.85Å; L125-L149 HydrophobicContact CD2-CG 4.49Å; L125-L149 HydrophobicContact CG-CD1 4.39Å; D145-L149 WeakPolarHBondContact O-CG 3.43Å; D145-L149 PolarHBondContact O-N 3.11Å; L146-L149 PolarHBondContact O-N 2.88Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 2.96Å; L149-Y152 PolarHBondContact O-N 2.9Å; L149-S153 VanDerWaalsContact O-CB 3.28Å; L149-S153 WeakPolarHBondContact O-CB 3.39Å; L149-S153 PolarHBondContact O-N 3.07Å; L149-S153 PolarHBondContact O-OG 3.35Å
150C97.7Very high95.7Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-59.7-42.4174.2-810000112.2L146 F147 M148 S153 S154 N155 A159 I214L146-C150 PolarHBondContact O-N 3.29Å; F147-C150 PolarHBondContact O-N 3.39Å; M148-C150 VanDerWaalsContact C-N 3.33Å; M148-C150 PolarHBondContact O-N 2.81Å; C150-S153 PolarHBondContact O-OG 3.13Å; C150-S154 PolarHBondContact O-N 2.75Å; C150-S154 VanDerWaalsContact O-N 3.12Å; C150-N155 WeakPolarHBondContact CA-O 2.96Å; C150-N155 WeakPolarHBondContact CB-O 3.32Å; C150-N155 PolarHBondContact O-N 2.98Å; C150-N155 VanDerWaalsContact O-N 3.16Å; C150-N155 PolarHBondContact SG-O 3.37Å; C150-A159 HydrophobicContact CB-CB 4.38Å; C150-I214 HydrophobicContact CB-CD1 4.35Å
151L96.5Very high95.6Very high49 Ų4936.7 Ų36.726%0.25719%0.193SC..Hα-helixtrans-67.2-46.9177.7-73.1168.7000112F147 M148 L149 S153 S154 L156 Y210 C213 I214F147-L151 VanDerWaalsContact O-CG 3.32Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 3.18Å; M148-L151 PolarHBondContact O-N 3.44Å; M148-L151 VanDerWaalsContact O-N 3.12Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 2.96Å; L151-S153 PolarHBondContact O-N 2.9Å; L151-S154 PolarHBondContact O-N 3.4Å; L151-L156 HydrophobicContact CD2-CD2 4.23Å; L151-Y210 HydrophobicContact CD1-CD1 3.68Å; L151-Y210 HydrophobicContact CD1-CG 3.88Å; L151-C213 HydrophobicContact CD1-CB 4.1Å; L151-C213 HydrophobicContact CD2-CB 3.98Å; L151-I214 HydrophobicContact CD1-CG1 4.41Å; L151-I214 HydrophobicContact CD2-CG1 3.68Å; L151-I214 HydrophobicContact CG-CD1 4.42Å; L151-I214 HydrophobicContact CG-CG1 3.85Å
152Y95.9Very high95.7Very high148 Ų14836.4 Ų36.458%0.5819%0.191SC*.Hα-helixtrans-65.7-36179.5-87.3-86.8000113I113 M148 L149 S154I113-Y152 HydrophobicContact CD1-CD2 3.97Å; I113-Y152 HydrophobicContact CD1-CE2 4.05Å; I113-Y152 HydrophobicContact CG1-CD2 4.33Å; I113-Y152 HydrophobicContact CG1-CG 4.43Å; I113-Y152 HydrophobicContact CG2-CD1 4.33Å; I113-Y152 HydrophobicContact CG2-CE1 4.07Å; M148-Y152 HydrophobicContact CG-CD2 3.75Å; M148-Y152 HydrophobicContact CG-CE2 3.74Å; M148-Y152 WeakPolarHBondContact O-CD2 3.45Å; M148-Y152 PolarHBondContact O-N 3.18Å; M148-Y152 HydrophobicContact SD-CE2 4.36Å; L149-Y152 PolarHBondContact O-N 2.9Å; Y152-S154 VanDerWaalsContact C-N 3.33Å
153S95.4Very high95.5Very high31 Ų3137 Ų3722%0.21719%0.194CC..THydrogen-bonded Turntrans-82.3-7.5177.7630000114.2I122 L149 C150 L151 N155I122-S153 VanDerWaalsContact CD1-OG 3.32Å; I122-S153 WeakPolarHBondContact CD1-OG 3.42Å; L149-S153 VanDerWaalsContact O-CB 3.28Å; L149-S153 WeakPolarHBondContact O-CB 3.39Å; L149-S153 PolarHBondContact O-N 3.07Å; L149-S153 PolarHBondContact O-OG 3.35Å; C150-S153 PolarHBondContact O-OG 3.13Å; L151-S153 PolarHBondContact O-N 2.9Å; S153-N155 PolarHBondContact O-N 3.43Å; S153-N155 PolarHBondContact OG-N 3.41Å
154S94.1Very high95.1Very high103 Ų10339.9 Ų39.972%0.7222%0.224SC*.THydrogen-bonded Turntrans54.716.3-167.5-58.10000114.4C150 L151 Y152C150-S154 PolarHBondContact O-N 2.75Å; C150-S154 VanDerWaalsContact O-N 3.12Å; L151-S154 PolarHBondContact O-N 3.4Å; Y152-S154 VanDerWaalsContact C-N 3.33Å
155N96Very high94.7Very high71 Ų7141.8 Ų41.838%0.3824%0.235SC..  trans-9989.1175.3-174.89.4000109.9I122 C150 S153 P158I122-N155 HydrophobicContact CD1-CB 4.07Å; C150-N155 WeakPolarHBondContact CA-O 2.96Å; C150-N155 WeakPolarHBondContact CB-O 3.32Å; C150-N155 PolarHBondContact O-N 2.98Å; C150-N155 VanDerWaalsContact O-N 3.16Å; C150-N155 PolarHBondContact SG-O 3.37Å; S153-N155 PolarHBondContact O-N 3.43Å; S153-N155 PolarHBondContact OG-N 3.41Å; N155-P158 WeakPolarHBondContact O-CD 3.48Å; N155-P158 VanDerWaalsContact OD1-CD 3.25Å; N155-P158 WeakPolarHBondContact OD1-CD 3.39Å
156L95.7Very high94Very high29 Ų2947.3 Ų47.315%0.15226%0.261CS..  trans-88.2-26.5-169.2-53.4-176.6000114.3L151 P158 A159 I214 A217 M218L151-L156 HydrophobicContact CD2-CD2 4.23Å; L156-P158 VanDerWaalsContact C-N 3.34Å; L156-A159 PolarHBondContact O-N 3.36Å; L156-A159 VanDerWaalsContact O-N 3.17Å; L156-I214 HydrophobicContact CB-CG2 4.18Å; L156-I214 HydrophobicContact CD2-CG1 4.26Å; L156-A217 HydrophobicContact CD1-CB 3.55Å; L156-M218 HydrophobicContact CB-CG 4.18Å; L156-M218 HydrophobicContact CB-SD 3.92Å; L156-M218 HydrophobicContact CD1-CG 3.69Å
157K94.7Very high93.5Very high161 Ų16149.7 Ų49.770%0.727%0.273SS*.G310 helixtrans-54.3-39.7-176.3-64.6-176.4179.5179.50114.1A159 L160K157-A159 PolarHBondContact O-N 2.92Å; K157-L160 WeakPolarHBondContact O-CB 3.45Å; K157-L160 PolarHBondContact O-N 3.39Å
158P94.3Very high92.8Very high19 Ų1953.6 Ų53.612%0.12330%0.301CS..G310 helixtrans-66.6-17.7-177-2134.3000114.6I122 R126 N155 L156 P161I122-P158 HydrophobicContact CG2-CB 3.59Å; I122-P158 HydrophobicContact CG2-CG 3.91Å; R126-P158 PolarHBondContact NE-O 3.23Å; N155-P158 WeakPolarHBondContact O-CD 3.48Å; N155-P158 VanDerWaalsContact OD1-CD 3.25Å; N155-P158 WeakPolarHBondContact OD1-CD 3.39Å; L156-P158 VanDerWaalsContact C-N 3.34Å; P158-P161 WeakPolarHBondContact O-CD 3.34Å
159A94.5Very high92.2Very high0 Ų054.1 Ų54.10%031%0.308CS..G310 helixtrans-82.3-22.9177.100000113.5F147 C150 L156 K157 P161 F162 L163 I214F147-A159 HydrophobicContact CD1-CB 3.69Å; F147-A159 HydrophobicContact CE1-CB 3.77Å; C150-A159 HydrophobicContact CB-CB 4.38Å; L156-A159 PolarHBondContact O-N 3.36Å; L156-A159 VanDerWaalsContact O-N 3.17Å; K157-A159 PolarHBondContact O-N 2.92Å; A159-P161 VanDerWaalsContact C-CD 3.44Å; A159-F162 PolarHBondContact O-N 3Å; A159-L163 HydrophobicContact CB-CD1 4.34Å; A159-L163 PolarHBondContact O-N 2.99Å; A159-L163 VanDerWaalsContact O-N 3.13Å; A159-I214 HydrophobicContact CB-CD1 3.74Å
160L93.7Very high91.6Very high55 Ų5555.6 Ų55.629%0.28832%0.317SS..Hα-helixtrans-56-40.5-174.8-66.5175.3000114.8K157 F162 L163 G164 Y215 M218K157-L160 WeakPolarHBondContact O-CB 3.45Å; K157-L160 PolarHBondContact O-N 3.39Å; L160-F162 PolarHBondContact O-N 3.3Å; L160-L163 PolarHBondContact O-N 3.47Å; L160-G164 PolarHBondContact O-N 3.33Å; L160-Y215 HydrophobicContact CD2-CE1 4.35Å; L160-M218 HydrophobicContact CD1-CE 3.9Å; L160-M218 HydrophobicContact CD1-SD 4.23Å; L160-M218 HydrophobicContact CD2-CE 4.21Å; L160-M218 HydrophobicContact CD2-SD 3.75Å; L160-M218 HydrophobicContact CG-SD 4.21Å
161P92.6Very high91Very high63 Ų6356.3 Ų56.341%0.40932%0.32SS..Hα-helixtrans-62.3-25.3178.1-23.735.9000113.7P158 A159 V165P158-P161 WeakPolarHBondContact O-CD 3.34Å; A159-P161 VanDerWaalsContact C-CD 3.44Å; P161-V165 VanDerWaalsContact O-CG2 3.23Å; P161-V165 WeakPolarHBondContact O-CG2 3.45Å
162F94Very high89.9Confident2 Ų254.1 Ų54.11%0.00931%0.31CS..Hα-helixtrans-91.8-25.3-179.8-55.3-90000112.4R126 I129 I130 L136 H143 L146 F147 A159 L160R126-F162 HydrophobicContact CB-CE2 4.37Å; R126-F162 HydrophobicContact CB-CZ 4.12Å; R126-F162 HydrophobicContact CG-CE2 3.79Å; R126-F162 HydrophobicContact CG-CZ 4.03Å; I129-F162 HydrophobicContact CB-CE1 3.99Å; I129-F162 HydrophobicContact CD1-CD1 4.35Å; I129-F162 HydrophobicContact CD1-CE1 4.14Å; I129-F162 HydrophobicContact CG2-CD1 4.09Å; I129-F162 HydrophobicContact CG2-CE1 3.69Å; I130-F162 HydrophobicContact CD1-CZ 4.01Å; I130-F162 HydrophobicContact CG1-CE1 4.09Å; I130-F162 HydrophobicContact CG1-CZ 4.03Å; L136-F162 HydrophobicContact CD2-CD1 4.19Å; L136-F162 HydrophobicContact CD2-CE1 3.92Å; H143-F162 AromaticContact NE2-CD1 3.83Å; L146-F162 HydrophobicContact CD2-CD2 3.6Å; L146-F162 HydrophobicContact CD2-CE1 4.5Å; L146-F162 HydrophobicContact CD2-CE2 3.58Å; L146-F162 HydrophobicContact CD2-CG 4.11Å; L146-F162 HydrophobicContact CD2-CZ 4.04Å; F147-F162 HydrophobicContact CE1-CB 3.99Å; F147-F162 HydrophobicContact CZ-CB 4.08Å; A159-F162 PolarHBondContact O-N 3Å; L160-F162 PolarHBondContact O-N 3.3Å
163L92.9Very high88.5Confident11 Ų1152.5 Ų52.56%0.05831%0.308CS..Hα-helixtrans-82.7-31.6175-72.1171.4000112.8F147 A159 L160 V165 G211 I214 Y215 M227F147-L163 HydrophobicContact CD2-CD2 4.22Å; F147-L163 HydrophobicContact CE1-CD2 4.38Å; F147-L163 HydrophobicContact CE1-CG 4.08Å; F147-L163 HydrophobicContact CE2-CD2 3.3Å; F147-L163 HydrophobicContact CE2-CG 3.91Å; F147-L163 HydrophobicContact CZ-CD1 4.41Å; F147-L163 HydrophobicContact CZ-CD2 3.42Å; F147-L163 VanDerWaalsContact CZ-CD2 3.42Å; F147-L163 HydrophobicContact CZ-CG 3.51Å; A159-L163 HydrophobicContact CB-CD1 4.34Å; A159-L163 PolarHBondContact O-N 2.99Å; A159-L163 VanDerWaalsContact O-N 3.13Å; L160-L163 PolarHBondContact O-N 3.47Å; L163-V165 PolarHBondContact O-N 2.95Å; L163-G211 VanDerWaalsContact CD2-CA 3.48Å; L163-I214 HydrophobicContact CD1-CB 4.04Å; L163-I214 HydrophobicContact CD1-CD1 4.26Å; L163-I214 HydrophobicContact CD1-CG2 3.74Å; L163-Y215 HydrophobicContact CB-CE2 3.81Å; L163-Y215 VanDerWaalsContact CB-OH 3.29Å; L163-Y215 WeakPolarHBondContact CB-OH 2.77Å; L163-Y215 HydrophobicContact CD1-CD2 4.34Å; L163-Y215 HydrophobicContact CD1-CE2 4.04Å; L163-Y215 HydrophobicContact CD2-CE2 4.13Å; L163-Y215 HydrophobicContact CG-CE2 4.23Å; L163-Y215 PolarHBondContact O-OH 3.32Å; L163-M227 HydrophobicContact CD2-CE 3.8Å
164G86Confident86.3Confident62 Ų6254.9 Ų54.964%0.63932%0.318SS*.SBendtrans-77.6-6.1-179.400000114.7L160L160-G164 PolarHBondContact O-N 3.33Å
165V87.6Confident84.1Confident41 Ų4152.6 Ų52.625%0.24830%0.3CS..SBendtrans-92.9138.1178.1175.40000109L136 E137 P161 L163 I167L136-V165 HydrophobicContact CB-CG1 4.37Å; L136-V165 HydrophobicContact CB-CG2 4.33Å; E137-V165 HydrophobicContact CB-CG1 4.37Å; E137-V165 HydrophobicContact CG-CG1 3.76Å; P161-V165 VanDerWaalsContact O-CG2 3.23Å; P161-V165 WeakPolarHBondContact O-CG2 3.45Å; L163-V165 PolarHBondContact O-N 2.95Å; V165-I167 PolarHBondContact O-N 2.73Å
166Q83.7Confident81.6Confident127 Ų12757.9 Ų57.959%0.59332%0.322SS*.  trans-78.1115.1172.1-67.1-175.3-5.400109S168Q166-S168 PolarHBondContact O-N 3.33Å
167I86.3Confident79.2Confident50 Ų5059.7 Ų59.726%0.25633%0.33SS..  trans-67.8123.1175.7-59.3-56.3000109E137 L139 V165 A169 Y207E137-I167 CarbonylContact O-C 3.58Å; E137-I167 WeakPolarHBondContact O-CA 3.32Å; E137-I167 WeakPolarHBondContact O-CG2 3.23Å; L139-I167 HydrophobicContact CB-CD1 4.34Å; L139-I167 HydrophobicContact CB-CG1 4.49Å; L139-I167 HydrophobicContact CB-CG2 3.68Å; V165-I167 PolarHBondContact O-N 2.73Å; I167-A169 WeakPolarHBondContact CG2-O 3.15Å; I167-Y207 HydrophobicContact CG1-CE1 4.32Å; I167-Y207 WeakPolarHBondContact CG1-OH 3.4Å
168S82.7Confident76.7Confident82 Ų8254.8 Ų54.857%0.57331%0.311SS*.  trans-104.7-24.318060.30000112.9E137 Q166E137-S168 WeakPolarHBondContact CB-OG 3.46Å; E137-S168 PolarHBondContact O-N 2.84Å; E137-S168 PolarHBondContact OE2-OG 2.98Å; Q166-S168 PolarHBondContact O-N 3.33Å
169A84.3Confident73.9Confident33 Ų3361.9 Ų61.927%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-147.6157.7-179.900000111.7E137 I138 L139 I167E137-A169 PolarHBondContact O-N 2.91Å; I138-A169 WeakPolarHBondContact CA-O 3.43Å; I138-A169 HydrophobicContact CG1-CB 4.45Å; L139-A169 PolarHBondContact N-O 3.09Å; I167-A169 WeakPolarHBondContact CG2-O 3.15Å
170V86Confident70.9Confident31 Ų3164.3 Ų64.319%0.18837%0.365CS..EExtended strand (participates in β ladder)trans-107.7135.2173.9-177.60000109.1G172 E173 F199V170-G172 PolarHBondContact O-N 3.07Å; V170-E173 VanDerWaalsContact O-CB 3.32Å; V170-E173 WeakPolarHBondContact O-CB 3.46Å; V170-E173 PolarHBondContact O-N 3.27Å; V170-E173 VanDerWaalsContact O-N 3.17Å; V170-F199 HydrophobicContact CG1-CB 3.68Å; V170-F199 HydrophobicContact CG1-CD1 3.48Å; V170-F199 VanDerWaalsContact CG1-CD1 3.48Å; V170-F199 HydrophobicContact CG1-CD2 3.13Å; V170-F199 HydrophobicContact CG1-CE1 3.83Å; V170-F199 HydrophobicContact CG1-CE2 3.46Å; V170-F199 VanDerWaalsContact CG1-CE2 3.46Å; V170-F199 HydrophobicContact CG1-CG 3.12Å; V170-F199 HydrophobicContact CG1-CZ 3.8Å
171F85Confident68.1Low14 Ų1470.2 Ų70.26%0.06139%0.391CS..THydrogen-bonded Turntrans-61.5131.5179.6-177-78.8000110.4A98 F102 F132 I138 L139 T140 E173 M192 A196 P197 F199A98-F171 HydrophobicContact CB-CE1 3.94Å; A98-F171 HydrophobicContact CB-CZ 3.88Å; F102-F171 AromaticContact CE2-CD1 3.55Å; F102-F171 HydrophobicContact CE2-CD1 3.55Å; F102-F171 AromaticContact CE2-CE1 3.51Å; F102-F171 HydrophobicContact CE2-CE1 3.51Å; F102-F171 HydrophobicContact CE2-CG 4.35Å; F102-F171 HydrophobicContact CE2-CZ 4.28Å; F102-F171 AromaticContact CZ-CD1 3.5Å; F102-F171 HydrophobicContact CZ-CD1 3.5Å; F102-F171 HydrophobicContact CZ-CD2 4.21Å; F102-F171 AromaticContact CZ-CE1 3.58Å; F102-F171 HydrophobicContact CZ-CE1 3.58Å; F102-F171 HydrophobicContact CZ-CE2 4.28Å; F102-F171 AromaticContact CZ-CG 3.87Å; F102-F171 HydrophobicContact CZ-CG 3.87Å; F102-F171 AromaticContact CZ-CZ 4Å; F102-F171 HydrophobicContact CZ-CZ 4Å; F132-F171 HydrophobicContact CD1-CE2 4.43Å; F132-F171 AromaticContact CE1-CD2 3.77Å; F132-F171 HydrophobicContact CE1-CD2 3.77Å; F132-F171 AromaticContact CE1-CE2 3.29Å; F132-F171 HydrophobicContact CE1-CE2 3.29Å; F132-F171 AromaticContact CE1-CZ 3.79Å; F132-F171 HydrophobicContact CE1-CZ 3.79Å; F132-F171 HydrophobicContact CZ-CD2 4.45Å; F132-F171 AromaticContact CZ-CE2 3.55Å; F132-F171 HydrophobicContact CZ-CE2 3.55Å; F132-F171 AromaticContact CZ-CZ 3.68Å; F132-F171 HydrophobicContact CZ-CZ 3.68Å; I138-F171 HydrophobicContact CG2-CB 4.02Å; L139-F171 VanDerWaalsContact O-CB 3.3Å; L139-F171 WeakPolarHBondContact O-CB 3.48Å; L139-F171 PolarHBondContact O-N 3.25Å; T140-F171 HydrophobicContact CG2-CB 4.11Å; T140-F171 HydrophobicContact CG2-CD2 4.42Å; T140-F171 HydrophobicContact CG2-CG 4.47Å; F171-E173 VanDerWaalsContact C-N 3.31Å; F171-M192 HydrophobicContact CB-CE 4.18Å; F171-M192 HydrophobicContact CD1-CE 4.16Å; F171-M192 HydrophobicContact CD2-CE 2.99Å; F171-M192 HydrophobicContact CE1-CE 4.25Å; F171-M192 HydrophobicContact CE2-CE 3.11Å; F171-M192 HydrophobicContact CG-CE 3.54Å; F171-M192 HydrophobicContact CZ-CE 3.77Å; F171-A196 HydrophobicContact CE1-CB 4.44Å; F171-P197 HydrophobicContact CE1-CG 4.49Å; F171-F199 WeakPolarHBondContact O-CB 3.42Å; F171-F199 WeakPolarHBondContact O-CD2 3.31Å
172G72.7Confident65.2Low4 Ų472.3 Ų72.34%0.04140%0.403CS..THydrogen-bonded Turntrans77.518.1-179.600000113.4V170 N174V170-G172 PolarHBondContact O-N 3.07Å; G172-N174 VanDerWaalsContact C-N 3.29Å; G172-N174 PolarHBondContact O-N 3.28Å
173E65.6Low62.2Low114 Ų11481.5 Ų81.553%0.53344%0.443SS..  trans-61.795.1166.9-169.5171.6-171.400109.2V170 F171 T175V170-E173 VanDerWaalsContact O-CB 3.32Å; V170-E173 WeakPolarHBondContact O-CB 3.46Å; V170-E173 PolarHBondContact O-N 3.27Å; V170-E173 VanDerWaalsContact O-N 3.17Å; F171-E173 VanDerWaalsContact C-N 3.31Å; E173-T175 VanDerWaalsContact C-N 3.25Å; E173-T175 PolarHBondContact O-N 3.4Å
174N50Low59.5Low81 Ų8185.2 Ų85.243%0.43348%0.483SS..  trans-79.874.3177.9-71-28.1000109G172 E176 A196G172-N174 VanDerWaalsContact C-N 3.29Å; G172-N174 PolarHBondContact O-N 3.28Å; N174-E176 PolarHBondContact O-N 3.24Å; N174-A196 PolarHBondContact ND2-O 2.92Å
175T48.1Very low56.7Low55 Ų5589 Ų8934%0.33749%0.489SS..  trans-60.4134.9158.132.70000108.3E173 E177 N178E173-T175 VanDerWaalsContact C-N 3.25Å; E173-T175 PolarHBondContact O-N 3.4Å; T175-E177 PolarHBondContact O-N 2.92Å; T175-N178 PolarHBondContact O-N 3.43Å
176E42.7Very low54Low181 Ų18190.7 Ų90.785%0.84652%0.515SS*.G310 helixtrans-49.8-25-175.7-63.8-161.6148.500113.4N174 N178 K179N174-E176 PolarHBondContact O-N 3.24Å; E176-N178 PolarHBondContact O-N 2.9Å; E176-K179 WeakPolarHBondContact O-CB 3.43Å; E176-K179 PolarHBondContact O-N 3.42Å
177E46.1Very low51.4Low68 Ų6889.4 Ų89.432%0.31852%0.516SS..G310 helixtrans-71-17.3177.1-62.1-171.2132.700116T175 K179 G180T175-E177 PolarHBondContact O-N 2.92Å; E177-K179 PolarHBondContact O-N 3.13Å; E177-K179 VanDerWaalsContact O-N 3.11Å; E177-G180 PolarHBondContact O-N 3.27Å
178N41.3Very low48.8Very low58 Ų5896.6 Ų96.631%0.3155%0.545SS..G310 helixtrans-66-11.8171.5-83.8-21.5000111.8T175 E176 Q194T175-N178 PolarHBondContact O-N 3.43Å; E176-N178 PolarHBondContact O-N 2.9Å; N178-Q194 VanDerWaalsContact O-CD 3.22Å; N178-Q194 WeakPolarHBondContact O-CG 3.42Å; N178-Q194 PolarHBondContact O-NE2 3.32Å
179K36.7Very low46.4Very low168 Ų16898.3 Ų98.373%0.7355%0.552SS**G310 helixtrans-86.3-10.4170.8-62.8178.9178.5174.20113.4E176 E177E176-K179 WeakPolarHBondContact O-CB 3.43Å; E176-K179 PolarHBondContact O-N 3.42Å; E177-K179 PolarHBondContact O-N 3.13Å; E177-K179 VanDerWaalsContact O-N 3.11Å
180G31.1Very low44.1Very low50 Ų50102 Ų10252%0.51557%0.566SS.*SBendtrans-87.4127.2-175.900000114.2E177E177-G180 PolarHBondContact O-N 3.27Å
181Q34.2Very low41.7Very low180 Ų180110.1 Ų110.184%0.84159%0.593SS**  trans-28.9128.7177.6-77.7161.3-24.100117.4K183Q181-K183 PolarHBondContact O-N 3.4Å; Q181-K183 VanDerWaalsContact O-N 3.16Å
182T32.6Very low39.7Very low106 Ų106112.2 Ų112.265%0.6560%0.604SS**  trans-65.3106.3164.945.10000111.4
183K31.9Very low38.3Very low196 Ų196116 Ų11685%0.85262%0.621SS**  trans-101.3102.2154.9-79.1-170.4176.8-179.80109.9Q181 D185Q181-K183 PolarHBondContact O-N 3.4Å; Q181-K183 VanDerWaalsContact O-N 3.16Å; K183-D185 PolarHBondContact O-N 2.91Å
184G34.3Very low37.3Very low88 Ų88115.5 Ų115.591%0.90762%0.619SS**SBend65.7-2.7123.400000123.2
185D29Very low37.3Very low143 Ų143118.7 Ų118.777%0.76564%0.636SS**  trans-116.8129.9-179.6-154.23000113.7K183 T187K183-D185 PolarHBondContact O-N 2.91Å; D185-T187 PolarHBondContact O-N 3.25Å
186G30.7Very low37.8Very low76 Ų76116.6 Ų116.678%0.78462%0.624SS**  trans-7329.3-161.200000115.9K188G186-K188 PolarHBondContact O-N 3.05Å
187T29.4Very low38.7Very low100 Ų100109 Ų10961%0.61359%0.59SS**  trans-80.8114.7170.5-47.90000107.7D185 V189D185-T187 PolarHBondContact O-N 3.25Å; T187-V189 HydrophobicContact CG2-CG2 4.31Å; T187-V189 PolarHBondContact O-N 3.26Å
188K30.7Very low39.9Very low200 Ų200110.4 Ų110.487%0.8761%0.607SS**  trans-63.865.9171.7-73.5178.6174.5177.60110.6G186 L190G186-K188 PolarHBondContact O-N 3.05Å; K188-L190 PolarHBondContact O-N 3.45Å
189V32.7Very low41.8Very low118 Ų118109.5 Ų109.572%0.71560%0.601SS**  trans-71.1110.2155.1-175.90000103.9T187 R191T187-V189 HydrophobicContact CG2-CG2 4.31Å; T187-V189 PolarHBondContact O-N 3.26Å; V189-R191 PolarHBondContact O-N 2.99Å
190L36.4Very low44.3Very low111 Ų111105.5 Ų105.558%0.58159%0.588SS**  trans-49.9110.5178.8-71.5139.9000107.4P134 K188 M192P134-L190 HydrophobicContact CB-CD1 3.6Å; P134-L190 HydrophobicContact CB-CD2 3.76Å; P134-L190 HydrophobicContact CB-CG 4.3Å; P134-L190 HydrophobicContact CG-CD1 3.36Å; P134-L190 HydrophobicContact CG-CD2 3.89Å; P134-L190 HydrophobicContact CG-CG 4.12Å; K188-L190 PolarHBondContact O-N 3.45Å; L190-M192 PolarHBondContact O-N 3.14Å
191R34.5Very low47.1Very low201 Ų201106.8 Ų106.876%0.75859%0.585SS**  trans-57.592.9171.6-80.2178.1164.9177.9-4.9107.1V189 E193V189-R191 PolarHBondContact O-N 2.99Å; R191-E193 PolarHBondContact O-N 3.38Å
192M42.5Very low49.8Very low58 Ų58103 Ų10329%0.28657%0.566SS.*  trans-75.4113.2153-59.7-166.993.700103.9F171 L190F171-M192 HydrophobicContact CB-CE 4.18Å; F171-M192 HydrophobicContact CD1-CE 4.16Å; F171-M192 HydrophobicContact CD2-CE 2.99Å; F171-M192 HydrophobicContact CE1-CE 4.25Å; F171-M192 HydrophobicContact CE2-CE 3.11Å; F171-M192 HydrophobicContact CG-CE 3.54Å; F171-M192 HydrophobicContact CZ-CE 3.77Å; L190-M192 PolarHBondContact O-N 3.14Å
193E44.8Very low52.7Low84 Ų8499.8 Ų99.839%0.39354%0.542SS..  trans-56.2149.1-171.8-64-171.8151.400110.9L96 R191 N195 A196L96-E193 WeakPolarHBondContact CD2-OE1 3.22Å; L96-E193 WeakPolarHBondContact CD2-OE2 3.48Å; R191-E193 PolarHBondContact O-N 3.38Å; E193-N195 PolarHBondContact O-N 3.21Å; E193-A196 WeakPolarHBondContact O-CB 3.48Å; E193-A196 PolarHBondContact O-N 3.29Å
194Q43.9Very low55.6Low104 Ų10493.5 Ų93.549%0.48651%0.514SS..THydrogen-bonded Turntrans-60.5-4-175.5-42.4-167.8-58.700113.9N178N178-Q194 VanDerWaalsContact O-CD 3.22Å; N178-Q194 WeakPolarHBondContact O-CG 3.42Å; N178-Q194 PolarHBondContact O-NE2 3.32Å
195N49.8Very low58.5Low148 Ų14889.6 Ų89.679%0.79147%0.472SS*.THydrogen-bonded Turntrans-120.719.6179-70.2-15.8000112.7E193E193-N195 PolarHBondContact O-N 3.21Å
196A58Low61.7Low10 Ų1083.8 Ų83.88%0.08344%0.441CS..PPolyproline II helixtrans-58.7134.7173.800000109.6F171 N174 E193F171-A196 HydrophobicContact CE1-CB 4.44Å; N174-A196 PolarHBondContact ND2-O 2.92Å; E193-A196 WeakPolarHBondContact O-CB 3.48Å; E193-A196 PolarHBondContact O-N 3.29Å
197P62.5Low64.8Low21 Ų2180.7 Ų80.714%0.13641%0.405CS..PPolyproline II helixtrans-62.3143.3-176.922.4-32.7000112.4A98 D99 F102 F171 F199A98-P197 HydrophobicContact CB-CG 4.05Å; D99-P197 WeakPolarHBondContact OD1-CB 3.46Å; D99-P197 WeakPolarHBondContact OD1-CG 3.22Å; D99-P197 WeakPolarHBondContact OD2-CB 3.25Å; F102-P197 HydrophobicContact CE2-CG 4.42Å; F171-P197 HydrophobicContact CE1-CG 4.49Å; P197-F199 PolarHBondContact O-N 3.38Å
198S70.8Confident68Low98 Ų9876 Ų7669%0.68538%0.376SS*.PPolyproline II helixtrans-61.5129.1177.357.10000109.8D200S198-D200 PolarHBondContact O-N 3.11Å
199F81.9Confident71.1Confident39 Ų3968.1 Ų68.117%0.17134%0.341CS..PPolyproline II helixtrans-67.2118.3174.9-169.2-85.6000111.1L139 P141 V170 F171 P197 V201L139-F199 HydrophobicContact CD2-CZ 3.93Å; L139-F199 HydrophobicContact CG-CE2 4.31Å; L139-F199 HydrophobicContact CG-CZ 4.14Å; P141-F199 HydrophobicContact CG-CD2 4.26Å; P141-F199 HydrophobicContact CG-CE2 4.09Å; V170-F199 HydrophobicContact CG1-CB 3.68Å; V170-F199 HydrophobicContact CG1-CD1 3.48Å; V170-F199 VanDerWaalsContact CG1-CD1 3.48Å; V170-F199 HydrophobicContact CG1-CD2 3.13Å; V170-F199 HydrophobicContact CG1-CE1 3.83Å; V170-F199 HydrophobicContact CG1-CE2 3.46Å; V170-F199 VanDerWaalsContact CG1-CE2 3.46Å; V170-F199 HydrophobicContact CG1-CG 3.12Å; V170-F199 HydrophobicContact CG1-CZ 3.8Å; F171-F199 WeakPolarHBondContact O-CB 3.42Å; F171-F199 WeakPolarHBondContact O-CD2 3.31Å; P197-F199 PolarHBondContact O-N 3.38Å; F199-V201 PolarHBondContact O-N 3.48Å
200D88.3Confident74.2Confident85 Ų8564.8 Ų64.846%0.45532%0.316SS..PPolyproline II helixtrans-72.8122.9172.9-176.4-11.8000110.4S198 K202 Y203S198-D200 PolarHBondContact O-N 3.11Å; D200-K202 PolarHBondContact O-N 3.19Å; D200-K202 VanDerWaalsContact OD1-CB 3.27Å; D200-K202 WeakPolarHBondContact OD1-CB 3.44Å; D200-K202 PolarHBondContact OD1-N 2.98Å; D200-Y203 HydrophobicContact CB-CD2 3.75Å; D200-Y203 HydrophobicContact CB-CE2 3.82Å; D200-Y203 PolarHBondContact O-N 3.18Å
201V89.4Confident77.1Confident77 Ų7759.5 Ų59.547%0.46729%0.289SS..Hα-helixtrans-52.1-28.9177.3179.10000112.3F199 Y203 Y204 L205 I234F199-V201 PolarHBondContact O-N 3.48Å; V201-Y203 PolarHBondContact O-N 3.46Å; V201-Y204 PolarHBondContact O-N 3.27Å; V201-Y204 VanDerWaalsContact O-N 3.15Å; V201-L205 HydrophobicContact CG1-CD1 4.25Å; V201-L205 HydrophobicContact CG1-CG 4.38Å; V201-L205 PolarHBondContact O-N 2.93Å; V201-I234 HydrophobicContact CG1-CG2 4.22Å
202K91.9Very high80.1Confident99 Ų9949.9 Ų49.943%0.4325%0.252SS..Hα-helixtrans-49.3-44.6172.5178-171.4169.1-1660111.7D200 L205 L206 I242D200-K202 PolarHBondContact O-N 3.19Å; D200-K202 VanDerWaalsContact OD1-CB 3.27Å; D200-K202 WeakPolarHBondContact OD1-CB 3.44Å; D200-K202 PolarHBondContact OD1-N 2.98Å; K202-L205 WeakPolarHBondContact O-CB 3.24Å; K202-L205 PolarHBondContact O-N 3.11Å; K202-L206 HydrophobicContact CG-CD1 4.07Å; K202-L206 HydrophobicContact CG-CG 4.43Å; K202-L206 VanDerWaalsContact O-CG 3.31Å; K202-L206 WeakPolarHBondContact O-CG 3.33Å; K202-L206 PolarHBondContact O-N 2.86Å; K202-I242 HydrophobicContact CG-CD1 4.39Å
203Y93.4Very high82.7Confident40 Ų4048 Ų4816%0.15725%0.245CC..Hα-helixtrans-71.9-32.6-176.2-62-66.6000112.7H106 P141 S144 D200 V201 L206 Y207H106-Y203 PolarHBondContact CD2-OH 3.25Å; H106-Y203 AromaticContact CE1-CD1 3.77Å; H106-Y203 AromaticContact CE1-CE1 3.1Å; H106-Y203 WeakPolarHBondContact CE1-CE1 3.35Å; H106-Y203 AromaticContact CE1-CZ 3.58Å; H106-Y203 AromaticContact ND1-CE1 3.79Å; H106-Y203 AromaticContact NE2-CE1 3.4Å; H106-Y203 WeakPolarHBondContact NE2-CE1 3.46Å; H106-Y203 AromaticContact NE2-CZ 3.32Å; H106-Y203 VanDerWaalsContact NE2-CZ 3.32Å; H106-Y203 PolarHBondContact NE2-OH 3.05Å; P141-Y203 HydrophobicContact CB-CD1 3.98Å; P141-Y203 HydrophobicContact CB-CD2 3.82Å; P141-Y203 HydrophobicContact CB-CE1 4.27Å; P141-Y203 HydrophobicContact CB-CE2 4.14Å; P141-Y203 HydrophobicContact CB-CG 3.73Å; P141-Y203 HydrophobicContact CG-CD2 4.05Å; P141-Y203 HydrophobicContact CG-CE2 4.47Å; P141-Y203 HydrophobicContact CG-CG 4.34Å; S144-Y203 WeakPolarHBondContact OG-CD1 3.48Å; D200-Y203 HydrophobicContact CB-CD2 3.75Å; D200-Y203 HydrophobicContact CB-CE2 3.82Å; D200-Y203 PolarHBondContact O-N 3.18Å; V201-Y203 PolarHBondContact O-N 3.46Å; Y203-L206 PolarHBondContact O-N 3.49Å; Y203-Y207 VanDerWaalsContact O-CB 3.28Å; Y203-Y207 WeakPolarHBondContact O-CB 3.06Å; Y203-Y207 PolarHBondContact O-N 2.72Å
204Y93.2Very high85.2Confident64 Ų6444 Ų4425%0.25123%0.226SC..Hα-helixtrans-66.3-43.7171.6-177.4-78.7000110.7L139 V201 L206 Y207 C208 I234L139-Y204 HydrophobicContact CD2-CD2 3.49Å; L139-Y204 VanDerWaalsContact CD2-CD2 3.49Å; L139-Y204 HydrophobicContact CD2-CE2 4.21Å; L139-Y204 HydrophobicContact CD2-CG 4.27Å; V201-Y204 PolarHBondContact O-N 3.27Å; V201-Y204 VanDerWaalsContact O-N 3.15Å; Y204-L206 PolarHBondContact O-N 3.44Å; Y204-Y207 WeakPolarHBondContact O-CB 3.25Å; Y204-Y207 PolarHBondContact O-N 3.39Å; Y204-C208 WeakPolarHBondContact CE1-SG 3.49Å; Y204-C208 PolarHBondContact O-N 3.16Å; Y204-C208 PolarHBondContact O-SG 3.01Å; Y204-I234 HydrophobicContact CD1-CD1 3.17Å; Y204-I234 HydrophobicContact CD1-CG1 4.2Å; Y204-I234 HydrophobicContact CE1-CD1 3.34Å; Y204-I234 HydrophobicContact CE1-CG1 3.89Å; Y204-I234 HydrophobicContact CG-CD1 4.37Å
205L94.1Very high87.8Confident5 Ų540.2 Ų40.23%0.02621%0.207CC..Hα-helixtrans-59.6-45.4175.6-79.5170.4000111.8V201 K202 C208 Y209 I234 N240 I242 V243V201-L205 HydrophobicContact CG1-CD1 4.25Å; V201-L205 HydrophobicContact CG1-CG 4.38Å; V201-L205 PolarHBondContact O-N 2.93Å; K202-L205 WeakPolarHBondContact O-CB 3.24Å; K202-L205 PolarHBondContact O-N 3.11Å; L205-C208 PolarHBondContact O-N 2.91Å; L205-Y209 VanDerWaalsContact O-CB 3.27Å; L205-Y209 WeakPolarHBondContact O-CB 3.45Å; L205-Y209 PolarHBondContact O-N 3.43Å; L205-I234 HydrophobicContact CD2-CD1 3.44Å; L205-I234 VanDerWaalsContact CD2-CD1 3.44Å; L205-I234 HydrophobicContact CD2-CG1 4.4Å; L205-I234 HydrophobicContact CG-CD1 3.81Å; L205-N240 WeakPolarHBondContact CD1-ND2 3.25Å; L205-I242 HydrophobicContact CB-CB 4.46Å; L205-I242 HydrophobicContact CB-CD1 4.21Å; L205-I242 HydrophobicContact CB-CG2 4.02Å; L205-V243 HydrophobicContact CD1-CG2 4.2Å; L205-V243 HydrophobicContact CD2-CG2 3.48Å; L205-V243 VanDerWaalsContact CD2-CG2 3.48Å
206L96Very high90Very high22 Ų2233.6 Ų33.612%0.11517%0.174CC..Hα-helixtrans-66.7-40.4177.3-69.2177.7000112K202 Y203 Y204 C208 Y209 Y210 I242K202-L206 HydrophobicContact CG-CD1 4.07Å; K202-L206 HydrophobicContact CG-CG 4.43Å; K202-L206 VanDerWaalsContact O-CG 3.31Å; K202-L206 WeakPolarHBondContact O-CG 3.33Å; K202-L206 PolarHBondContact O-N 2.86Å; Y203-L206 PolarHBondContact O-N 3.49Å; Y204-L206 PolarHBondContact O-N 3.44Å; L206-C208 PolarHBondContact O-N 3.34Å; L206-Y209 PolarHBondContact O-N 3.27Å; L206-Y210 HydrophobicContact CB-CD2 4.09Å; L206-Y210 HydrophobicContact CB-CE2 3.89Å; L206-Y210 HydrophobicContact CD1-CE2 4.41Å; L206-Y210 HydrophobicContact CD2-CE1 4.35Å; L206-Y210 HydrophobicContact CD2-CE2 3.87Å; L206-Y210 HydrophobicContact CG-CE2 4.27Å; L206-Y210 VanDerWaalsContact O-CB 3.22Å; L206-Y210 WeakPolarHBondContact O-CB 3.36Å; L206-Y210 VanDerWaalsContact O-CD2 3.3Å; L206-Y210 WeakPolarHBondContact O-CD2 3.48Å; L206-Y210 VanDerWaalsContact O-CG 3.25Å; L206-Y210 PolarHBondContact O-N 2.97Å; L206-I242 HydrophobicContact CD2-CD1 3.67Å; L206-I242 HydrophobicContact CD2-CG1 4.15Å; L206-I242 HydrophobicContact CD2-CG2 4.33Å; L206-I242 HydrophobicContact CG-CD1 3.99Å
207Y96.3Very high91.7Very high11 Ų1136 Ų364%0.04319%0.193CC..Hα-helixtrans-54.8-51.6172.3167.3-96.3000111.2L139 H143 F147 I167 Y203 Y204 G211 M227L139-Y207 HydrophobicContact CD1-CD1 4.14Å; L139-Y207 HydrophobicContact CD1-CD2 3.45Å; L139-Y207 VanDerWaalsContact CD1-CD2 3.45Å; L139-Y207 HydrophobicContact CD1-CE1 4.43Å; L139-Y207 HydrophobicContact CD1-CE2 3.77Å; L139-Y207 HydrophobicContact CD1-CG 3.65Å; L139-Y207 HydrophobicContact CD2-CD1 4.26Å; L139-Y207 HydrophobicContact CD2-CG 4.34Å; H143-Y207 HydrophobicContact CB-CD2 3.87Å; H143-Y207 HydrophobicContact CB-CE2 4.41Å; F147-Y207 HydrophobicContact CD2-CD2 4.07Å; F147-Y207 AromaticContact CE2-CD2 3.28Å; F147-Y207 HydrophobicContact CE2-CD2 3.28Å; F147-Y207 AromaticContact CE2-CE2 3.38Å; F147-Y207 HydrophobicContact CE2-CE2 3.38Å; F147-Y207 HydrophobicContact CE2-CG 4.23Å; F147-Y207 AromaticContact CZ-CD2 3.93Å; F147-Y207 HydrophobicContact CZ-CD2 3.93Å; F147-Y207 AromaticContact CZ-CE2 3.66Å; F147-Y207 HydrophobicContact CZ-CE2 3.66Å; I167-Y207 HydrophobicContact CG1-CE1 4.32Å; I167-Y207 WeakPolarHBondContact CG1-OH 3.4Å; Y203-Y207 VanDerWaalsContact O-CB 3.28Å; Y203-Y207 WeakPolarHBondContact O-CB 3.06Å; Y203-Y207 PolarHBondContact O-N 2.72Å; Y204-Y207 WeakPolarHBondContact O-CB 3.25Å; Y204-Y207 PolarHBondContact O-N 3.39Å; Y207-G211 WeakPolarHBondContact O-CA 3.33Å; Y207-G211 PolarHBondContact O-N 3.14Å; Y207-M227 HydrophobicContact CD1-CE 4.16Å; Y207-M227 HydrophobicContact CE1-CE 3.73Å
208C96Very high93.2Very high0 Ų038.1 Ų38.10%020%0.202CC..Hα-helixtrans-63.8-48.9179.9-65.80000111.7Y204 L205 L206 G212 L230 A231Y204-C208 WeakPolarHBondContact CE1-SG 3.49Å; Y204-C208 PolarHBondContact O-N 3.16Å; Y204-C208 PolarHBondContact O-SG 3.01Å; L205-C208 PolarHBondContact O-N 2.91Å; L206-C208 PolarHBondContact O-N 3.34Å; C208-G212 PolarHBondContact O-N 3.25Å; C208-L230 HydrophobicContact CB-CB 4.47Å; C208-A231 HydrophobicContact CB-CB 3.75Å
209Y97.3Very high94.3Very high36 Ų3639.2 Ų39.214%0.14119%0.194CC..Hα-helixtrans-65.4-48.2-177.5176.4-110.7000112.6L205 L206 G212 C213 F228 I242 H245 A246 K249L205-Y209 VanDerWaalsContact O-CB 3.27Å; L205-Y209 WeakPolarHBondContact O-CB 3.45Å; L205-Y209 PolarHBondContact O-N 3.43Å; L206-Y209 PolarHBondContact O-N 3.27Å; Y209-G212 PolarHBondContact O-N 3.16Å; Y209-C213 PolarHBondContact O-N 3.29Å; Y209-C213 PolarHBondContact O-SG 2.83Å; Y209-F228 HydrophobicContact CD2-CD1 4.34Å; Y209-F228 AromaticContact CD2-CE1 3.99Å; Y209-F228 HydrophobicContact CD2-CE1 3.99Å; Y209-F228 HydrophobicContact CE2-CE1 4.32Å; Y209-I242 HydrophobicContact CD1-CG2 4.42Å; Y209-I242 HydrophobicContact CG-CG2 4.13Å; Y209-H245 HydrophobicContact CE2-CB 3.77Å; Y209-A246 HydrophobicContact CD2-CB 3.94Å; Y209-K249 HydrophobicContact CE2-CD 3.97Å; Y209-K249 PolarHBondContact OH-NZ 2.94Å
210Y97.8Very high94.9Very high47 Ų4740.7 Ų40.718%0.18420%0.204CC..Hα-helixtrans-68.7-39178.2-63.1-30.3000111.7S144 F147 M148 L151 L206 G212 C213 I214S144-Y210 WeakPolarHBondContact O-CD2 3.48Å; F147-Y210 HydrophobicContact CB-CD2 4.38Å; F147-Y210 HydrophobicContact CB-CG 4.46Å; M148-Y210 HydrophobicContact CB-CD2 4.21Å; M148-Y210 HydrophobicContact CB-CE2 3.86Å; M148-Y210 HydrophobicContact CG-CE2 4.38Å; L151-Y210 HydrophobicContact CD1-CD1 3.68Å; L151-Y210 HydrophobicContact CD1-CG 3.88Å; L206-Y210 HydrophobicContact CB-CD2 4.09Å; L206-Y210 HydrophobicContact CB-CE2 3.89Å; L206-Y210 HydrophobicContact CD1-CE2 4.41Å; L206-Y210 HydrophobicContact CD2-CE1 4.35Å; L206-Y210 HydrophobicContact CD2-CE2 3.87Å; L206-Y210 HydrophobicContact CG-CE2 4.27Å; L206-Y210 VanDerWaalsContact O-CB 3.22Å; L206-Y210 WeakPolarHBondContact O-CB 3.36Å; L206-Y210 VanDerWaalsContact O-CD2 3.3Å; L206-Y210 WeakPolarHBondContact O-CD2 3.48Å; L206-Y210 VanDerWaalsContact O-CG 3.25Å; L206-Y210 PolarHBondContact O-N 2.97Å; Y210-G212 VanDerWaalsContact C-N 3.33Å; Y210-G212 PolarHBondContact O-N 3.35Å; Y210-C213 WeakPolarHBondContact O-CB 3.37Å; Y210-C213 PolarHBondContact O-N 3.32Å; Y210-C213 VanDerWaalsContact O-N 3.11Å; Y210-I214 VanDerWaalsContact O-CG1 3.31Å; Y210-I214 WeakPolarHBondContact O-CG1 3.44Å; Y210-I214 PolarHBondContact O-N 2.92Å
211G97.3Very high95.2Very high0 Ų037.9 Ų37.90%019%0.188CC..Hα-helixtrans-57.8-45.3172.400000112.4L163 Y207 C213 I214 Y215L163-G211 VanDerWaalsContact CD2-CA 3.48Å; Y207-G211 WeakPolarHBondContact O-CA 3.33Å; Y207-G211 PolarHBondContact O-N 3.14Å; G211-C213 VanDerWaalsContact C-N 3.33Å; G211-C213 PolarHBondContact O-N 2.76Å; G211-I214 PolarHBondContact O-N 3.17Å; G211-Y215 WeakPolarHBondContact O-CD2 3.25Å; G211-Y215 PolarHBondContact O-N 3.28Å
212G97.4Very high95.5Very high0 Ų043.6 Ų43.60%020%0.201CC..Hα-helixtrans-60.7-40.1173.100000112.9C208 Y209 Y210 A216 A224 F228C208-G212 PolarHBondContact O-N 3.25Å; Y209-G212 PolarHBondContact O-N 3.16Å; Y210-G212 VanDerWaalsContact C-N 3.33Å; Y210-G212 PolarHBondContact O-N 3.35Å; G212-A216 VanDerWaalsContact O-CB 3.24Å; G212-A216 WeakPolarHBondContact O-CB 3.45Å; G212-A216 PolarHBondContact O-N 2.96Å; G212-A224 WeakPolarHBondContact O-CB 3.44Å; G212-F228 WeakPolarHBondContact O-CZ 3.44Å
213C97.2Very high95.7Very high19 Ų1942.3 Ų42.313%0.12820%0.199CC..Hα-helixtrans-65.2-40.8176-68.10000112.5L151 Y209 Y210 G211 A216 A217L151-C213 HydrophobicContact CD1-CB 4.1Å; L151-C213 HydrophobicContact CD2-CB 3.98Å; Y209-C213 PolarHBondContact O-N 3.29Å; Y209-C213 PolarHBondContact O-SG 2.83Å; Y210-C213 WeakPolarHBondContact O-CB 3.37Å; Y210-C213 PolarHBondContact O-N 3.32Å; Y210-C213 VanDerWaalsContact O-N 3.11Å; G211-C213 VanDerWaalsContact C-N 3.33Å; G211-C213 PolarHBondContact O-N 2.76Å; C213-A216 PolarHBondContact O-N 3.41Å; C213-A217 WeakPolarHBondContact O-CB 3.23Å; C213-A217 PolarHBondContact O-N 2.9Å
214I97.5Very high95.8Very high0 Ų040.4 Ų40.40%019%0.192CC..Hα-helixtrans-62.1-50.9176.7-70.1171.3000109.9F147 C150 L151 L156 A159 L163 Y210 G211 A216 A217 M218F147-I214 HydrophobicContact CB-CD1 3.69Å; F147-I214 HydrophobicContact CD1-CD1 4.01Å; F147-I214 HydrophobicContact CD2-CD1 4.43Å; F147-I214 HydrophobicContact CG-CD1 3.8Å; C150-I214 HydrophobicContact CB-CD1 4.35Å; L151-I214 HydrophobicContact CD1-CG1 4.41Å; L151-I214 HydrophobicContact CD2-CG1 3.68Å; L151-I214 HydrophobicContact CG-CD1 4.42Å; L151-I214 HydrophobicContact CG-CG1 3.85Å; L156-I214 HydrophobicContact CB-CG2 4.18Å; L156-I214 HydrophobicContact CD2-CG1 4.26Å; A159-I214 HydrophobicContact CB-CD1 3.74Å; L163-I214 HydrophobicContact CD1-CB 4.04Å; L163-I214 HydrophobicContact CD1-CD1 4.26Å; L163-I214 HydrophobicContact CD1-CG2 3.74Å; Y210-I214 VanDerWaalsContact O-CG1 3.31Å; Y210-I214 WeakPolarHBondContact O-CG1 3.44Å; Y210-I214 PolarHBondContact O-N 2.92Å; G211-I214 PolarHBondContact O-N 3.17Å; I214-A216 VanDerWaalsContact C-N 3.34Å; I214-A216 PolarHBondContact O-N 3.11Å; I214-A217 PolarHBondContact O-N 3.41Å; I214-M218 HydrophobicContact CG2-SD 4.4Å; I214-M218 WeakPolarHBondContact O-CG 3.38Å; I214-M218 PolarHBondContact O-N 3.29Å
215Y97.3Very high96Very high23 Ų2338 Ų389%0.0918%0.183CC..Hα-helixtrans-61-42.1177.4-78.4-53.5000112.5L160 L163 G211 A217 M218 K219 L220 D223 M227L160-Y215 HydrophobicContact CD2-CE1 4.35Å; L163-Y215 HydrophobicContact CB-CE2 3.81Å; L163-Y215 VanDerWaalsContact CB-OH 3.29Å; L163-Y215 WeakPolarHBondContact CB-OH 2.77Å; L163-Y215 HydrophobicContact CD1-CD2 4.34Å; L163-Y215 HydrophobicContact CD1-CE2 4.04Å; L163-Y215 HydrophobicContact CD2-CE2 4.13Å; L163-Y215 HydrophobicContact CG-CE2 4.23Å; L163-Y215 PolarHBondContact O-OH 3.32Å; G211-Y215 WeakPolarHBondContact O-CD2 3.25Å; G211-Y215 PolarHBondContact O-N 3.28Å; Y215-A217 PolarHBondContact O-N 3.47Å; Y215-M218 CarbonylContact O-C 3.04Å; Y215-M218 PolarHBondContact O-N 3.25Å; Y215-K219 PolarHBondContact O-N 3.11Å; Y215-K219 VanDerWaalsContact O-N 3.11Å; Y215-L220 HydrophobicContact CD1-CB 3.8Å; Y215-L220 HydrophobicContact CD1-CD1 3.67Å; Y215-L220 HydrophobicContact CD1-CG 4.38Å; Y215-L220 HydrophobicContact CE1-CD1 3.94Å; Y215-L220 HydrophobicContact CG-CB 4.45Å; Y215-L220 PolarHBondContact O-N 3.44Å; Y215-D223 HydrophobicContact CD1-CB 3.8Å; Y215-D223 HydrophobicContact CD2-CB 3.79Å; Y215-D223 HydrophobicContact CE1-CB 3.9Å; Y215-D223 HydrophobicContact CE2-CB 3.9Å; Y215-D223 HydrophobicContact CG-CB 3.73Å; Y215-M227 HydrophobicContact CD2-CG 3.81Å; Y215-M227 HydrophobicContact CE2-CG 3.95Å
216A96.1Very high96Very high10 Ų1044.4 Ų44.48%0.08321%0.208CC..Hα-helixtrans-63-40.8177.100000112.1G212 C213 I214 M218 K219 A224G212-A216 VanDerWaalsContact O-CB 3.24Å; G212-A216 WeakPolarHBondContact O-CB 3.45Å; G212-A216 PolarHBondContact O-N 2.96Å; C213-A216 PolarHBondContact O-N 3.41Å; I214-A216 VanDerWaalsContact C-N 3.34Å; I214-A216 PolarHBondContact O-N 3.11Å; A216-M218 VanDerWaalsContact C-N 3.3Å; A216-M218 PolarHBondContact O-N 3.4Å; A216-K219 PolarHBondContact O-N 2.95Å; A216-A224 HydrophobicContact CB-CB 3.98Å
217A94.8Very high96Very high59 Ų5943.7 Ų43.749%0.48820%0.204SC..Hα-helixtrans-64.5-36.3175.500000111.7L156 C213 I214 Y215 K219L156-A217 HydrophobicContact CD1-CB 3.55Å; C213-A217 WeakPolarHBondContact O-CB 3.23Å; C213-A217 PolarHBondContact O-N 2.9Å; I214-A217 PolarHBondContact O-N 3.41Å; Y215-A217 PolarHBondContact O-N 3.47Å; A217-K219 VanDerWaalsContact C-N 3.26Å; A217-K219 PolarHBondContact O-N 3.43Å
218M94.3Very high96Very high66 Ų6643.2 Ų43.233%0.32520%0.202SC..THydrogen-bonded Turntrans-80.32.8175.6-66.5-166.660.100114.8L156 L160 I214 Y215 A216 L220L156-M218 HydrophobicContact CB-CG 4.18Å; L156-M218 HydrophobicContact CB-SD 3.92Å; L156-M218 HydrophobicContact CD1-CG 3.69Å; L160-M218 HydrophobicContact CD1-CE 3.9Å; L160-M218 HydrophobicContact CD1-SD 4.23Å; L160-M218 HydrophobicContact CD2-CE 4.21Å; L160-M218 HydrophobicContact CD2-SD 3.75Å; L160-M218 HydrophobicContact CG-SD 4.21Å; I214-M218 HydrophobicContact CG2-SD 4.4Å; I214-M218 WeakPolarHBondContact O-CG 3.38Å; I214-M218 PolarHBondContact O-N 3.29Å; Y215-M218 CarbonylContact O-C 3.04Å; Y215-M218 PolarHBondContact O-N 3.25Å; A216-M218 VanDerWaalsContact C-N 3.3Å; A216-M218 PolarHBondContact O-N 3.4Å; M218-L220 HydrophobicContact CB-CD1 4.32Å; M218-L220 HydrophobicContact CB-CG 4.31Å; M218-L220 PolarHBondContact O-N 3.46Å
219K93.1Very high95.9Very high121 Ų12145.6 Ų45.653%0.52621%0.214SC..THydrogen-bonded Turntrans63.718-176.5-51.1-56.4-176.2-168.70114.8Y215 A216 A217 M221 Q319Y215-K219 PolarHBondContact O-N 3.11Å; Y215-K219 VanDerWaalsContact O-N 3.11Å; A216-K219 PolarHBondContact O-N 2.95Å; A217-K219 VanDerWaalsContact C-N 3.26Å; A217-K219 PolarHBondContact O-N 3.43Å; K219-M221 HydrophobicContact CD-CE 3.9Å; K219-M221 PolarHBondContact O-N 3.45Å; K219-M221 VanDerWaalsContact O-N 3.08Å; K219-Q319 VanDerWaalsContact NZ-CD 3.28Å; K219-Q319 VanDerWaalsContact NZ-NE2 3.19Å
220L95Very high95.6Very high70 Ų7045.6 Ų45.637%0.36622%0.216SC..  trans-85.569.2171.7-64.4175.6000109Y215 M218 R222 D223 A224Y215-L220 HydrophobicContact CD1-CB 3.8Å; Y215-L220 HydrophobicContact CD1-CD1 3.67Å; Y215-L220 HydrophobicContact CD1-CG 4.38Å; Y215-L220 HydrophobicContact CE1-CD1 3.94Å; Y215-L220 HydrophobicContact CG-CB 4.45Å; Y215-L220 PolarHBondContact O-N 3.44Å; M218-L220 HydrophobicContact CB-CD1 4.32Å; M218-L220 HydrophobicContact CB-CG 4.31Å; M218-L220 PolarHBondContact O-N 3.46Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 3.44Å; L220-D223 PolarHBondContact O-N 3.25Å; L220-A224 WeakPolarHBondContact O-CB 3.31Å; L220-A224 PolarHBondContact O-N 2.88Å
221M94.4Very high95.4Very high27 Ų2743.3 Ų43.313%0.13321%0.207CC..Hα-helixtrans-68.4-29.1-166.2-65.8-64.3-17800113.9K219 L225 T253 L256 V257 L316K219-M221 HydrophobicContact CD-CE 3.9Å; K219-M221 PolarHBondContact O-N 3.45Å; K219-M221 VanDerWaalsContact O-N 3.08Å; M221-L225 WeakPolarHBondContact O-CB 3.41Å; M221-L225 PolarHBondContact O-N 3.48Å; M221-T253 HydrophobicContact SD-CG2 4.32Å; M221-L256 HydrophobicContact CE-CD1 3.99Å; M221-L256 HydrophobicContact SD-CD1 4.15Å; M221-V257 VanDerWaalsContact C-CG2 3.46Å; M221-V257 HydrophobicContact CB-CG2 3.54Å; M221-V257 WeakPolarHBondContact O-CG2 3.35Å; M221-L316 HydrophobicContact CE-CD2 4.37Å
222R95.1Very high95Very high196 Ų19643.3 Ų43.374%0.7421%0.207SC*.Hα-helixtrans-66.9-46.8176.1-73.2-177.1178.8-177.2-0.6111.4L220 A224 L225 Y226 V257L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 3.44Å; R222-A224 VanDerWaalsContact C-N 3.32Å; R222-L225 WeakPolarHBondContact O-CB 3.32Å; R222-L225 PolarHBondContact O-N 3.47Å; R222-Y226 PolarHBondContact O-N 2.88Å; R222-Y226 VanDerWaalsContact O-N 3.08Å; R222-V257 HydrophobicContact CG-CG1 3.72Å; R222-V257 HydrophobicContact CG-CG2 4.31Å
223D95.4Very high94.7Very high72 Ų7244 Ų4439%0.38521%0.211SC..Hα-helixtrans-68.5-36.5178.7-50.1-49.1000110.6Y215 L220 Y226 M227Y215-D223 HydrophobicContact CD1-CB 3.8Å; Y215-D223 HydrophobicContact CD2-CB 3.79Å; Y215-D223 HydrophobicContact CE1-CB 3.9Å; Y215-D223 HydrophobicContact CE2-CB 3.9Å; Y215-D223 HydrophobicContact CG-CB 3.73Å; L220-D223 PolarHBondContact O-N 3.25Å; D223-Y226 PolarHBondContact O-N 3.4Å; D223-M227 WeakPolarHBondContact O-CG 3.4Å; D223-M227 PolarHBondContact O-N 3.45Å
224A97Very high94.2Very high0 Ų044.3 Ų44.30%021%0.211CC..Hα-helixtrans-60.8-45.4172.700000112.4G212 A216 L220 R222 Y226 M227 F228 T253G212-A224 WeakPolarHBondContact O-CB 3.44Å; A216-A224 HydrophobicContact CB-CB 3.98Å; L220-A224 WeakPolarHBondContact O-CB 3.31Å; L220-A224 PolarHBondContact O-N 2.88Å; R222-A224 VanDerWaalsContact C-N 3.32Å; A224-Y226 VanDerWaalsContact C-N 3.34Å; A224-Y226 PolarHBondContact O-N 3.19Å; A224-M227 PolarHBondContact O-N 2.91Å; A224-F228 HydrophobicContact CB-CE2 4.21Å; A224-F228 WeakPolarHBondContact O-CD2 3.47Å; A224-F228 WeakPolarHBondContact O-CG 3.27Å; A224-F228 PolarHBondContact O-N 3.25Å; A224-T253 HydrophobicContact CB-CG2 4.39Å
225L96.2Very high93.6Very high15 Ų1549.6 Ų49.68%0.07925%0.245CC..Hα-helixtrans-58.7-48177.5178.664000110.7M221 R222 M227 F228 E229 W250 V257 E262M221-L225 WeakPolarHBondContact O-CB 3.41Å; M221-L225 PolarHBondContact O-N 3.48Å; R222-L225 WeakPolarHBondContact O-CB 3.32Å; R222-L225 PolarHBondContact O-N 3.47Å; L225-M227 PolarHBondContact O-N 2.88Å; L225-F228 PolarHBondContact O-N 3.02Å; L225-E229 WeakPolarHBondContact O-CB 3.3Å; L225-E229 PolarHBondContact O-N 2.99Å; L225-W250 VanDerWaalsContact CD1-CD1 3.45Å; L225-W250 HydrophobicContact CD1-CG 4.13Å; L225-V257 HydrophobicContact CB-CG2 4.46Å; L225-V257 HydrophobicContact CD2-CB 4.2Å; L225-V257 HydrophobicContact CD2-CG1 4.28Å; L225-V257 HydrophobicContact CD2-CG2 4.38Å; L225-E262 HydrophobicContact CD2-CG 4.44Å
226Y94.8Very high92.7Very high138 Ų13849.8 Ų49.854%0.54125%0.25SS..Hα-helixtrans-58.7-46.4177.4178.1-110.7000112.1R222 D223 A224 F228 E229 L230R222-Y226 PolarHBondContact O-N 2.88Å; R222-Y226 VanDerWaalsContact O-N 3.08Å; D223-Y226 PolarHBondContact O-N 3.4Å; A224-Y226 VanDerWaalsContact C-N 3.34Å; A224-Y226 PolarHBondContact O-N 3.19Å; Y226-F228 PolarHBondContact O-N 2.98Å; Y226-E229 WeakPolarHBondContact O-CA 3.4Å; Y226-E229 WeakPolarHBondContact O-CB 3.41Å; Y226-E229 PolarHBondContact O-N 3.44Å; Y226-E229 VanDerWaalsContact O-N 3.11Å; Y226-L230 HydrophobicContact CD1-CD1 4.2Å; Y226-L230 HydrophobicContact CE1-CD1 3.65Å; Y226-L230 HydrophobicContact CE1-CG 4.17Å; Y226-L230 HydrophobicContact CE2-CD2 4.21Å; Y226-L230 HydrophobicContact CE2-CG 4.36Å; Y226-L230 WeakPolarHBondContact O-CG 3.28Å; Y226-L230 PolarHBondContact O-N 3.42Å
227M95.7Very high91.7Very high8 Ų858.7 Ų58.74%0.03929%0.29CS..Hα-helixtrans-63.9-38.7178.6-72.1-61-76.300113.1L163 Y207 Y215 D223 A224 L225 E229 L230 A231L163-M227 HydrophobicContact CD2-CE 3.8Å; Y207-M227 HydrophobicContact CD1-CE 4.16Å; Y207-M227 HydrophobicContact CE1-CE 3.73Å; Y215-M227 HydrophobicContact CD2-CG 3.81Å; Y215-M227 HydrophobicContact CE2-CG 3.95Å; D223-M227 WeakPolarHBondContact O-CG 3.4Å; D223-M227 PolarHBondContact O-N 3.45Å; A224-M227 PolarHBondContact O-N 2.91Å; L225-M227 PolarHBondContact O-N 2.88Å; M227-E229 VanDerWaalsContact C-N 3.33Å; M227-L230 PolarHBondContact O-N 2.87Å; M227-L230 HydrophobicContact SD-CD1 4.09Å; M227-A231 PolarHBondContact O-N 3.16Å
228F95.3Very high90.5Very high0 Ų058 Ų580%029%0.289CS..Hα-helixtrans-69.8-32.8173.5-62.9-49.6000112.2Y209 G212 A224 L225 Y226 A231 I232 A246 K249 W250 T253Y209-F228 HydrophobicContact CD2-CD1 4.34Å; Y209-F228 AromaticContact CD2-CE1 3.99Å; Y209-F228 HydrophobicContact CD2-CE1 3.99Å; Y209-F228 HydrophobicContact CE2-CE1 4.32Å; G212-F228 WeakPolarHBondContact O-CZ 3.44Å; A224-F228 HydrophobicContact CB-CE2 4.21Å; A224-F228 WeakPolarHBondContact O-CD2 3.47Å; A224-F228 WeakPolarHBondContact O-CG 3.27Å; A224-F228 PolarHBondContact O-N 3.25Å; L225-F228 PolarHBondContact O-N 3.02Å; Y226-F228 PolarHBondContact O-N 2.98Å; F228-A231 PolarHBondContact O-N 3.45Å; F228-I232 PolarHBondContact O-N 3.11Å; F228-I232 VanDerWaalsContact O-N 3.16Å; F228-A246 HydrophobicContact CD1-CB 4.32Å; F228-K249 HydrophobicContact CD1-CB 4.29Å; F228-K249 HydrophobicContact CD2-CB 4Å; F228-K249 HydrophobicContact CE1-CB 3.99Å; F228-K249 HydrophobicContact CE1-CD 3.93Å; F228-K249 HydrophobicContact CE2-CB 3.69Å; F228-K249 HydrophobicContact CE2-CD 4.39Å; F228-K249 HydrophobicContact CG-CB 4.31Å; F228-K249 HydrophobicContact CZ-CB 3.68Å; F228-K249 HydrophobicContact CZ-CD 3.63Å; F228-K249 HydrophobicContact CZ-CG 4.29Å; F228-W250 HydrophobicContact CB-CB 3.81Å; F228-W250 HydrophobicContact CB-CG 4.38Å; F228-T253 HydrophobicContact CD2-CG2 4.1Å; F228-T253 HydrophobicContact CE2-CG2 3.84Å
229E94.1Very high89.7Confident51 Ų5159.9 Ų59.924%0.23832%0.315CS..Hα-helixtrans-63.6-42.7174.2-168.3174.2157.600111.5L225 Y226 M227 A231 I232 T233 P265L225-E229 WeakPolarHBondContact O-CB 3.3Å; L225-E229 PolarHBondContact O-N 2.99Å; Y226-E229 WeakPolarHBondContact O-CA 3.4Å; Y226-E229 WeakPolarHBondContact O-CB 3.41Å; Y226-E229 PolarHBondContact O-N 3.44Å; Y226-E229 VanDerWaalsContact O-N 3.11Å; M227-E229 VanDerWaalsContact C-N 3.33Å; E229-A231 VanDerWaalsContact C-N 3.28Å; E229-A231 PolarHBondContact O-N 3.26Å; E229-I232 VanDerWaalsContact O-CG1 3.25Å; E229-I232 WeakPolarHBondContact O-CG1 3.3Å; E229-I232 PolarHBondContact O-N 2.91Å; E229-T233 HydrophobicContact CG-CG2 4.17Å; E229-T233 WeakPolarHBondContact O-CB 3.22Å; E229-T233 WeakPolarHBondContact O-CG2 3.23Å; E229-T233 PolarHBondContact O-N 2.98Å; E229-T233 PolarHBondContact O-OG1 3.25Å; E229-P265 WeakPolarHBondContact OE1-CD 3.46Å; E229-P265 WeakPolarHBondContact OE1-CG 3.4Å
230L92.4Very high89.4Confident35 Ų3556.5 Ų56.518%0.18330%0.303CS..Hα-helixtrans-57.5-41172.9-68.6179.8000112C208 Y226 M227 T233 I234C208-L230 HydrophobicContact CB-CB 4.47Å; Y226-L230 HydrophobicContact CD1-CD1 4.2Å; Y226-L230 HydrophobicContact CE1-CD1 3.65Å; Y226-L230 HydrophobicContact CE1-CG 4.17Å; Y226-L230 HydrophobicContact CE2-CD2 4.21Å; Y226-L230 HydrophobicContact CE2-CG 4.36Å; Y226-L230 WeakPolarHBondContact O-CG 3.28Å; Y226-L230 PolarHBondContact O-N 3.42Å; M227-L230 PolarHBondContact O-N 2.87Å; M227-L230 HydrophobicContact SD-CD1 4.09Å; L230-T233 WeakPolarHBondContact CA-OG1 3.39Å; L230-T233 PolarHBondContact O-OG1 2.94Å; L230-T233 VanDerWaalsContact O-OG1 3.1Å; L230-I234 VanDerWaalsContact O-CG1 3.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.22Å
231A92.6Very high89Confident0 Ų059.2 Ų59.20%032%0.317CS..Hα-helixtrans-67.3-38.4179.100000113.4C208 M227 F228 E229 A246C208-A231 HydrophobicContact CB-CB 3.75Å; M227-A231 PolarHBondContact O-N 3.16Å; F228-A231 PolarHBondContact O-N 3.45Å; E229-A231 VanDerWaalsContact C-N 3.28Å; E229-A231 PolarHBondContact O-N 3.26Å; A231-A246 HydrophobicContact CB-CB 3.73Å
232I90.3Very high88.9Confident0 Ų059.5 Ų59.50%032%0.319CS..Hα-helixtrans-82.1-20.1-176.964.7178.7000113.5F228 E229 V243 A246 Y247 W250 V264 T268 F274F228-I232 PolarHBondContact O-N 3.11Å; F228-I232 VanDerWaalsContact O-N 3.16Å; E229-I232 VanDerWaalsContact O-CG1 3.25Å; E229-I232 WeakPolarHBondContact O-CG1 3.3Å; E229-I232 PolarHBondContact O-N 2.91Å; I232-V243 HydrophobicContact CG2-CG1 4.44Å; I232-A246 HydrophobicContact CG2-CB 4.22Å; I232-Y247 HydrophobicContact CD1-CD2 4.41Å; I232-Y247 HydrophobicContact CG2-CD2 4.31Å; I232-W250 HydrophobicContact CD1-CB 4.37Å; I232-W250 HydrophobicContact CD1-CD2 3.61Å; I232-W250 HydrophobicContact CD1-CE3 4.07Å; I232-W250 HydrophobicContact CD1-CG 3.72Å; I232-W250 HydrophobicContact CD1-CZ2 4.35Å; I232-V264 HydrophobicContact CD1-CG1 3.52Å; I232-V264 HydrophobicContact CG1-CG1 4.37Å; I232-T268 WeakPolarHBondContact O-CG2 3.49Å; I232-F274 HydrophobicContact CB-CZ 4.43Å
233T90.3Very high88.7Confident15 Ų1550.6 Ų50.69%0.09229%0.286CS..Hα-helixtrans-84.8-9.3-178.349.30000113.5E229 L230 P265 Y267E229-T233 HydrophobicContact CG-CG2 4.17Å; E229-T233 WeakPolarHBondContact O-CB 3.22Å; E229-T233 WeakPolarHBondContact O-CG2 3.23Å; E229-T233 PolarHBondContact O-N 2.98Å; E229-T233 PolarHBondContact O-OG1 3.25Å; L230-T233 WeakPolarHBondContact CA-OG1 3.39Å; L230-T233 PolarHBondContact O-OG1 2.94Å; L230-T233 VanDerWaalsContact O-OG1 3.1Å; T233-P265 HydrophobicContact CG2-CG 4.08Å; T233-Y267 HydrophobicContact CG2-CE2 4.05Å
234I87.2Confident88.4Confident24 Ų2448.5 Ų48.512%0.12328%0.276CS..SBendtrans-61.4131.5176.7-55.6-175.1000110.1V201 Y204 L205 L230 S236V201-I234 HydrophobicContact CG1-CG2 4.22Å; Y204-I234 HydrophobicContact CD1-CD1 3.17Å; Y204-I234 HydrophobicContact CD1-CG1 4.2Å; Y204-I234 HydrophobicContact CE1-CD1 3.34Å; Y204-I234 HydrophobicContact CE1-CG1 3.89Å; Y204-I234 HydrophobicContact CG-CD1 4.37Å; L205-I234 HydrophobicContact CD2-CD1 3.44Å; L205-I234 VanDerWaalsContact CD2-CD1 3.44Å; L205-I234 HydrophobicContact CD2-CG1 4.4Å; L205-I234 HydrophobicContact CG-CD1 3.81Å; L230-I234 VanDerWaalsContact O-CG1 3.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.22Å; I234-S236 PolarHBondContact O-N 3.33Å; I234-S236 VanDerWaalsContact O-N 3.14Å
235P84.7Confident88.1Confident111 Ų11151.4 Ų51.472%0.72129%0.29SS*.  trans-58.8117.1169.1-20.532.2000109.9
236S78Confident88Confident28 Ų2850.7 Ų50.720%0.19629%0.286CS..  trans-136.8141.7176.789.70000111.8I234 R273I234-S236 PolarHBondContact O-N 3.33Å; I234-S236 VanDerWaalsContact O-N 3.14Å; S236-R273 PolarHBondContact O-NH1 2.95Å; S236-R273 PolarHBondContact O-NH2 2.91Å; S236-R273 PolarHBondContact OG-NH2 3.21Å
237E74.3Confident87.8Confident196 Ų19644.1 Ų44.192%0.91626%0.26SS*.  trans-96.7135.9167.1-63.7-172.117600109.3
238G71.2Confident87.7Confident46 Ų4644.7 Ų44.747%0.47426%0.263SS..SBendtrans78.4-175.8178.700000115.9
239A76.6Confident87.6Confident104 Ų10445.4 Ų45.486%0.8627%0.266SS*.  trans-82.6134.1178.500000110.5
240N85.9Confident87.7Confident51 Ų5143 Ų4327%0.27325%0.254SS..  trans-130.6124175.1-176-52.2000109.3L205 I242 V243 T244L205-N240 WeakPolarHBondContact CD1-ND2 3.25Å; N240-I242 PolarHBondContact O-N 3.2Å; N240-I242 WeakPolarHBondContact OD1-CA 3.06Å; N240-I242 WeakPolarHBondContact OD1-CB 3.39Å; N240-I242 PolarHBondContact OD1-N 3.02Å; N240-V243 HydrophobicContact CB-CB 4.07Å; N240-V243 HydrophobicContact CB-CG2 3.87Å; N240-V243 PolarHBondContact O-N 2.94Å; N240-V243 PolarHBondContact OD1-N 3.23Å; N240-T244 WeakPolarHBondContact O-CB 3.39Å; N240-T244 PolarHBondContact O-N 3.25Å; N240-T244 PolarHBondContact O-OG1 2.9Å
241D87.9Confident87.7Confident126 Ų12641.3 Ų41.367%0.67425%0.246SC*.Hα-helixtrans-66.6-37.1-176-67.5-29.4000112.1T244 H245D241-T244 WeakPolarHBondContact O-CB 3.27Å; D241-T244 PolarHBondContact O-N 2.99Å; D241-H245 PolarHBondContact O-CD2 3.21Å; D241-H245 PolarHBondContact O-N 3.28Å
242I92Very high87.8Confident34 Ų3441.3 Ų41.317%0.17425%0.246CC..Hα-helixtrans-62.8-48.5178.4-53.5167.4000109.4K202 L205 L206 Y209 N240 T244 H245 A246K202-I242 HydrophobicContact CG-CD1 4.39Å; L205-I242 HydrophobicContact CB-CB 4.46Å; L205-I242 HydrophobicContact CB-CD1 4.21Å; L205-I242 HydrophobicContact CB-CG2 4.02Å; L206-I242 HydrophobicContact CD2-CD1 3.67Å; L206-I242 HydrophobicContact CD2-CG1 4.15Å; L206-I242 HydrophobicContact CD2-CG2 4.33Å; L206-I242 HydrophobicContact CG-CD1 3.99Å; Y209-I242 HydrophobicContact CD1-CG2 4.42Å; Y209-I242 HydrophobicContact CG-CG2 4.13Å; N240-I242 PolarHBondContact O-N 3.2Å; N240-I242 WeakPolarHBondContact OD1-CA 3.06Å; N240-I242 WeakPolarHBondContact OD1-CB 3.39Å; N240-I242 PolarHBondContact OD1-N 3.02Å; I242-T244 VanDerWaalsContact C-N 3.29Å; I242-T244 PolarHBondContact O-N 3.29Å; I242-H245 PolarHBondContact O-N 2.95Å; I242-A246 WeakPolarHBondContact O-CB 3.42Å; I242-A246 PolarHBondContact O-N 2.74Å
243V90.4Very high88.1Confident8 Ų841.3 Ų41.35%0.04825%0.246CC..Hα-helixtrans-61-40.8176.8178.30000110.7L205 I232 N240 A246 Y247 F274L205-V243 HydrophobicContact CD1-CG2 4.2Å; L205-V243 HydrophobicContact CD2-CG2 3.48Å; L205-V243 VanDerWaalsContact CD2-CG2 3.48Å; I232-V243 HydrophobicContact CG2-CG1 4.44Å; N240-V243 HydrophobicContact CB-CB 4.07Å; N240-V243 HydrophobicContact CB-CG2 3.87Å; N240-V243 PolarHBondContact O-N 2.94Å; N240-V243 PolarHBondContact OD1-N 3.23Å; V243-A246 PolarHBondContact O-N 3.17Å; V243-Y247 WeakPolarHBondContact O-CB 3.44Å; V243-Y247 PolarHBondContact O-N 3.42Å; V243-F274 HydrophobicContact CG1-CE1 3.92Å; V243-F274 HydrophobicContact CG1-CZ 3.58Å
244T88.8Confident88.3Confident28 Ų2840.6 Ų40.617%0.17224%0.241CC..Hα-helixtrans-63.6-44.9178-59.20000111.5N240 D241 I242 Y247 K248 F279N240-T244 WeakPolarHBondContact O-CB 3.39Å; N240-T244 PolarHBondContact O-N 3.25Å; N240-T244 PolarHBondContact O-OG1 2.9Å; D241-T244 WeakPolarHBondContact O-CB 3.27Å; D241-T244 PolarHBondContact O-N 2.99Å; I242-T244 VanDerWaalsContact C-N 3.29Å; I242-T244 PolarHBondContact O-N 3.29Å; T244-Y247 PolarHBondContact O-N 2.77Å; T244-K248 VanDerWaalsContact O-CG 3.32Å; T244-K248 WeakPolarHBondContact O-CG 3.48Å; T244-K248 PolarHBondContact O-N 2.84Å; T244-K248 VanDerWaalsContact O-N 3.11Å; T244-F279 HydrophobicContact CG2-CD1 4.06Å; T244-F279 HydrophobicContact CG2-CE1 3.95Å
245H91.7Very high88.6Confident61 Ų6139.5 Ų39.528%0.28224%0.236SC..Hα-helixtrans-66-37.2175.2-78.5-67000112.5Y209 D241 I242 K249 D311Y209-H245 HydrophobicContact CE2-CB 3.77Å; D241-H245 PolarHBondContact O-CD2 3.21Å; D241-H245 PolarHBondContact O-N 3.28Å; I242-H245 PolarHBondContact O-N 2.95Å; H245-K249 PolarHBondContact O-N 3.23Å; H245-D311 IonicContact CE1-OD1 2.71Å
246A93.9Very high89Confident0 Ų035 Ų350%021%0.206CC..Hα-helixtrans-63.2-47.1173.900000111Y209 F228 A231 I232 I242 V243 K248 K249 W250Y209-A246 HydrophobicContact CD2-CB 3.94Å; F228-A246 HydrophobicContact CD1-CB 4.32Å; A231-A246 HydrophobicContact CB-CB 3.73Å; I232-A246 HydrophobicContact CG2-CB 4.22Å; I242-A246 WeakPolarHBondContact O-CB 3.42Å; I242-A246 PolarHBondContact O-N 2.74Å; V243-A246 PolarHBondContact O-N 3.17Å; A246-K248 PolarHBondContact O-N 2.78Å; A246-K249 CarbonylContact O-C 3.34Å; A246-K249 PolarHBondContact O-N 3.41Å; A246-K249 VanDerWaalsContact O-N 3.11Å; A246-W250 WeakPolarHBondContact O-CB 3.45Å; A246-W250 PolarHBondContact O-N 3.41Å
247Y91Very high89.7Confident1 Ų135.5 Ų35.50%0.00421%0.207CC..Hα-helixtrans-58.6-46.6178.3-178.2-98.6000112.4I232 V243 T244 K249 W250 V251 F271 F274 F279I232-Y247 HydrophobicContact CD1-CD2 4.41Å; I232-Y247 HydrophobicContact CG2-CD2 4.31Å; V243-Y247 WeakPolarHBondContact O-CB 3.44Å; V243-Y247 PolarHBondContact O-N 3.42Å; T244-Y247 PolarHBondContact O-N 2.77Å; Y247-K249 VanDerWaalsContact C-N 3.27Å; Y247-K249 PolarHBondContact O-N 2.94Å; Y247-W250 HydrophobicContact CD2-CE3 4.18Å; Y247-W250 AromaticContact CE2-CE3 3.95Å; Y247-W250 HydrophobicContact CE2-CE3 3.95Å; Y247-W250 HydrophobicContact CE2-CZ3 4.01Å; Y247-W250 WeakPolarHBondContact O-CB 3.35Å; Y247-W250 PolarHBondContact O-N 3.24Å; Y247-W250 VanDerWaalsContact O-N 3.13Å; Y247-V251 HydrophobicContact CD1-CG2 4.21Å; Y247-V251 HydrophobicContact CE1-CG2 3.73Å; Y247-V251 HydrophobicContact CE2-CG2 4.35Å; Y247-V251 WeakPolarHBondContact O-CG2 3.48Å; Y247-V251 PolarHBondContact O-N 2.82Å; Y247-F271 HydrophobicContact CE2-CE2 4.24Å; Y247-F274 HydrophobicContact CD1-CB 3.99Å; Y247-F274 AromaticContact CD1-CD1 3.77Å; Y247-F274 HydrophobicContact CD1-CD1 3.77Å; Y247-F274 AromaticContact CD1-CG 3.98Å; Y247-F274 HydrophobicContact CD1-CG 3.98Å; Y247-F274 HydrophobicContact CD2-CB 4.09Å; Y247-F274 AromaticContact CD2-CD1 3.8Å; Y247-F274 HydrophobicContact CD2-CD1 3.8Å; Y247-F274 AromaticContact CD2-CD2 3.68Å; Y247-F274 HydrophobicContact CD2-CD2 3.68Å; Y247-F274 HydrophobicContact CD2-CE1 4.13Å; Y247-F274 HydrophobicContact CD2-CE2 4.03Å; Y247-F274 AromaticContact CD2-CG 3.59Å; Y247-F274 HydrophobicContact CD2-CG 3.59Å; Y247-F274 HydrophobicContact CD2-CZ 4.25Å; Y247-F274 HydrophobicContact CE1-CB 3.61Å; Y247-F274 HydrophobicContact CE1-CD1 4.3Å; Y247-F274 HydrophobicContact CE1-CG 4.08Å; Y247-F274 HydrophobicContact CE2-CB 3.71Å; Y247-F274 HydrophobicContact CE2-CD1 4.32Å; Y247-F274 AromaticContact CE2-CD2 3.77Å; Y247-F274 HydrophobicContact CE2-CD2 3.77Å; Y247-F274 HydrophobicContact CE2-CE2 4.49Å; Y247-F274 AromaticContact CE2-CG 3.69Å; Y247-F274 HydrophobicContact CE2-CG 3.69Å; Y247-F274 HydrophobicContact CG-CB 4.22Å; Y247-F274 AromaticContact CG-CD1 3.49Å; Y247-F274 HydrophobicContact CG-CD1 3.49Å; Y247-F274 VanDerWaalsContact CG-CD1 3.49Å; Y247-F274 HydrophobicContact CG-CD2 4.26Å; Y247-F274 AromaticContact CG-CE1 3.87Å; Y247-F274 HydrophobicContact CG-CE1 3.87Å; Y247-F274 AromaticContact CG-CG 3.74Å; Y247-F274 HydrophobicContact CG-CG 3.74Å; Y247-F274 HydrophobicContact CG-CZ 4.41Å; Y247-F274 VanDerWaalsContact CZ-CB 3.45Å; Y247-F274 AromaticContact CZ-CG 3.93Å; Y247-F279 AromaticContact CD1-CD2 3.95Å; Y247-F279 HydrophobicContact CD1-CD2 3.95Å; Y247-F279 AromaticContact CD1-CE2 3.61Å; Y247-F279 HydrophobicContact CD1-CE2 3.61Å; Y247-F279 HydrophobicContact CE1-CD2 4.05Å; Y247-F279 AromaticContact CE1-CE2 3.76Å; Y247-F279 HydrophobicContact CE1-CE2 3.76Å
248K92.2Very high90.4Very high19 Ų1928.4 Ų28.48%0.08318%0.179CC..Hα-helixtrans-55.9-42.1175.8-68.7170.2178.9-177.30111.9T244 A246 L252 F279 Y282 D311T244-K248 VanDerWaalsContact O-CG 3.32Å; T244-K248 WeakPolarHBondContact O-CG 3.48Å; T244-K248 PolarHBondContact O-N 2.84Å; T244-K248 VanDerWaalsContact O-N 3.11Å; A246-K248 PolarHBondContact O-N 2.78Å; K248-L252 WeakPolarHBondContact O-CG 3.32Å; K248-L252 PolarHBondContact O-N 3.39Å; K248-F279 HydrophobicContact CG-CB 4.47Å; K248-Y282 HydrophobicContact CB-CD1 4.26Å; K248-Y282 HydrophobicContact CB-CD2 4.37Å; K248-Y282 HydrophobicContact CB-CE1 3.96Å; K248-Y282 HydrophobicContact CB-CE2 4.05Å; K248-Y282 HydrophobicContact CB-CG 4.47Å; K248-Y282 HydrophobicContact CD-CD2 4.42Å; K248-Y282 HydrophobicContact CD-CE2 3.74Å; K248-Y282 HydrophobicContact CG-CD2 3.86Å; K248-Y282 HydrophobicContact CG-CE1 4.43Å; K248-Y282 HydrophobicContact CG-CE2 3.62Å; K248-Y282 HydrophobicContact CG-CG 4.36Å; K248-D311 WeakPolarHBondContact CD-OD2 3.23Å; K248-D311 WeakPolarHBondContact CE-OD2 3.24Å; K248-D311 IonicContact NZ-OD1 3.56Å; K248-D311 PolarHBondContact NZ-OD1 2.91Å; K248-D311 IonicContact NZ-OD2 3.89Å; K248-D311 PolarHBondContact NZ-OD2 3.27Å
249K95.1Very high91.1Very high16 Ų1626.4 Ų26.47%0.0716%0.159CC..Hα-helixtrans-75.7-32.9177.4-71.8-174.5174.763.20112.6Y209 F228 H245 A246 Y247 L252 T253 N313 L316Y209-K249 HydrophobicContact CE2-CD 3.97Å; Y209-K249 PolarHBondContact OH-NZ 2.94Å; F228-K249 HydrophobicContact CD1-CB 4.29Å; F228-K249 HydrophobicContact CD2-CB 4Å; F228-K249 HydrophobicContact CE1-CB 3.99Å; F228-K249 HydrophobicContact CE1-CD 3.93Å; F228-K249 HydrophobicContact CE2-CB 3.69Å; F228-K249 HydrophobicContact CE2-CD 4.39Å; F228-K249 HydrophobicContact CG-CB 4.31Å; F228-K249 HydrophobicContact CZ-CB 3.68Å; F228-K249 HydrophobicContact CZ-CD 3.63Å; F228-K249 HydrophobicContact CZ-CG 4.29Å; H245-K249 PolarHBondContact O-N 3.23Å; A246-K249 CarbonylContact O-C 3.34Å; A246-K249 PolarHBondContact O-N 3.41Å; A246-K249 VanDerWaalsContact O-N 3.11Å; Y247-K249 VanDerWaalsContact C-N 3.27Å; Y247-K249 PolarHBondContact O-N 2.94Å; K249-L252 PolarHBondContact O-N 3.29Å; K249-T253 WeakPolarHBondContact O-CB 3.34Å; K249-T253 WeakPolarHBondContact O-CG2 3.17Å; K249-T253 PolarHBondContact O-N 2.97Å; K249-T253 PolarHBondContact O-OG1 2.88Å; K249-N313 VanDerWaalsContact CE-OD1 3.23Å; K249-N313 WeakPolarHBondContact CE-OD1 3.24Å; K249-N313 WeakPolarHBondContact CG-OD1 3.48Å; K249-N313 PolarHBondContact NZ-OD1 3.47Å; K249-L316 HydrophobicContact CG-CD1 4.2Å
250W94.7Very high91.6Very high0 Ų026.3 Ų26.30%014%0.139CC..Hα-helixtrans-60.1-47.1173.2-178.784.1000110.9L225 F228 I232 A246 Y247 L252 T253 S254 L261 E262 V264L225-W250 VanDerWaalsContact CD1-CD1 3.45Å; L225-W250 HydrophobicContact CD1-CG 4.13Å; F228-W250 HydrophobicContact CB-CB 3.81Å; F228-W250 HydrophobicContact CB-CG 4.38Å; I232-W250 HydrophobicContact CD1-CB 4.37Å; I232-W250 HydrophobicContact CD1-CD2 3.61Å; I232-W250 HydrophobicContact CD1-CE3 4.07Å; I232-W250 HydrophobicContact CD1-CG 3.72Å; I232-W250 HydrophobicContact CD1-CZ2 4.35Å; A246-W250 WeakPolarHBondContact O-CB 3.45Å; A246-W250 PolarHBondContact O-N 3.41Å; Y247-W250 HydrophobicContact CD2-CE3 4.18Å; Y247-W250 AromaticContact CE2-CE3 3.95Å; Y247-W250 HydrophobicContact CE2-CE3 3.95Å; Y247-W250 HydrophobicContact CE2-CZ3 4.01Å; Y247-W250 WeakPolarHBondContact O-CB 3.35Å; Y247-W250 PolarHBondContact O-N 3.24Å; Y247-W250 VanDerWaalsContact O-N 3.13Å; W250-L252 PolarHBondContact O-N 3.48Å; W250-T253 WeakPolarHBondContact CA-OG1 3.43Å; W250-T253 PolarHBondContact O-N 3.41Å; W250-T253 PolarHBondContact O-OG1 2.81Å; W250-T253 VanDerWaalsContact O-OG1 3.07Å; W250-S254 WeakPolarHBondContact O-CB 3.48Å; W250-S254 PolarHBondContact O-N 3.46Å; W250-L261 HydrophobicContact CE3-CD1 4.06Å; W250-L261 HydrophobicContact CH2-CD1 4.04Å; W250-L261 HydrophobicContact CH2-CG 4.43Å; W250-L261 HydrophobicContact CZ3-CD1 3.49Å; W250-L261 VanDerWaalsContact CZ3-CD1 3.49Å; W250-L261 HydrophobicContact CZ3-CG 4.17Å; W250-E262 WeakPolarHBondContact CH2-O 3.48Å; W250-E262 HydrophobicContact CZ2-CB 4.03Å; W250-V264 HydrophobicContact CH2-CG1 3.72Å; W250-V264 HydrophobicContact CZ2-CG1 3.77Å; W250-V264 HydrophobicContact CZ3-CG1 4.32Å
251V92.8Very high91.7Very high0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-55.9-51174.7173.60000110.9Y247 S254 L255 L261 A286Y247-V251 HydrophobicContact CD1-CG2 4.21Å; Y247-V251 HydrophobicContact CE1-CG2 3.73Å; Y247-V251 HydrophobicContact CE2-CG2 4.35Å; Y247-V251 WeakPolarHBondContact O-CG2 3.48Å; Y247-V251 PolarHBondContact O-N 2.82Å; V251-S254 PolarHBondContact O-N 2.9Å; V251-L255 WeakPolarHBondContact O-CG 3.16Å; V251-L255 PolarHBondContact O-N 3.49Å; V251-L261 HydrophobicContact CB-CD1 4.22Å; V251-L261 HydrophobicContact CG1-CD1 4.12Å; V251-L261 HydrophobicContact CG2-CD1 4Å; V251-A286 HydrophobicContact CG1-CB 4Å
252L95.1Very high91.7Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-65.4-42.5-178.3-65.6179000112.7K248 K249 W250 L255 L256 Y282 L285 N313 L316 V317 V320K248-L252 WeakPolarHBondContact O-CG 3.32Å; K248-L252 PolarHBondContact O-N 3.39Å; K249-L252 PolarHBondContact O-N 3.29Å; W250-L252 PolarHBondContact O-N 3.48Å; L252-L255 PolarHBondContact O-N 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.16Å; L252-L256 PolarHBondContact O-N 2.86Å; L252-Y282 HydrophobicContact CD1-CD1 4.4Å; L252-Y282 HydrophobicContact CD1-CE1 3.85Å; L252-Y282 HydrophobicContact CD2-CD1 4.15Å; L252-Y282 HydrophobicContact CD2-CE1 4.3Å; L252-Y282 HydrophobicContact CG-CD1 4.07Å; L252-Y282 HydrophobicContact CG-CE1 4.02Å; L252-L285 HydrophobicContact CD2-CD2 4.31Å; L252-N313 HydrophobicContact CD1-CB 4Å; L252-L316 HydrophobicContact CB-CB 4.37Å; L252-L316 HydrophobicContact CD1-CB 3.66Å; L252-L316 HydrophobicContact CD1-CD1 4.33Å; L252-V317 HydrophobicContact CD1-CG2 3.88Å; L252-V317 HydrophobicContact CD2-CG2 3.96Å; L252-V320 HydrophobicContact CB-CG2 4.37Å; L252-V320 HydrophobicContact CD2-CG2 4.02Å
253T95.9Very high91.4Very high0 Ų027.4 Ų27.40%015%0.147CC..Hα-helixtrans-68.7-37.1178.547.60000111.9M221 A224 F228 K249 W250 L255 L256 V257M221-T253 HydrophobicContact SD-CG2 4.32Å; A224-T253 HydrophobicContact CB-CG2 4.39Å; F228-T253 HydrophobicContact CD2-CG2 4.1Å; F228-T253 HydrophobicContact CE2-CG2 3.84Å; K249-T253 WeakPolarHBondContact O-CB 3.34Å; K249-T253 WeakPolarHBondContact O-CG2 3.17Å; K249-T253 PolarHBondContact O-N 2.97Å; K249-T253 PolarHBondContact O-OG1 2.88Å; W250-T253 WeakPolarHBondContact CA-OG1 3.43Å; W250-T253 PolarHBondContact O-N 3.41Å; W250-T253 PolarHBondContact O-OG1 2.81Å; W250-T253 VanDerWaalsContact O-OG1 3.07Å; T253-L255 VanDerWaalsContact C-N 3.31Å; T253-L255 PolarHBondContact O-N 3.15Å; T253-L256 PolarHBondContact O-N 3.24Å; T253-V257 WeakPolarHBondContact O-CG2 3.49Å; T253-V257 PolarHBondContact O-N 3.11Å
254S94.7Very high91.1Very high0 Ų027.8 Ų27.80%015%0.149CC..Hα-helixtrans-57.9-44.1174-177.40000111.5W250 V251 L256 V257 S258 K260 L261 E262W250-S254 WeakPolarHBondContact O-CB 3.48Å; W250-S254 PolarHBondContact O-N 3.46Å; V251-S254 PolarHBondContact O-N 2.9Å; S254-L256 VanDerWaalsContact C-N 3.3Å; S254-L256 PolarHBondContact O-N 3.41Å; S254-V257 PolarHBondContact O-N 3.13Å; S254-S258 PolarHBondContact O-N 2.87Å; S254-K260 CarbonylContact C-O 3.53Å; S254-K260 VanDerWaalsContact O-O 3.11Å; S254-K260 PolarHBondContact OG-O 2.87Å; S254-L261 WeakPolarHBondContact OG-CA 3.27Å; S254-E262 WeakPolarHBondContact OG-CG 3.15Å; S254-E262 PolarHBondContact OG-N 3.09Å
255L93.6Very high90.9Very high0 Ų027.8 Ų27.80%015%0.15CC..Hα-helixtrans-63.7-35.5175.6-64.8174.6000112.6V251 L252 T253 G259 L285 A286 Y289 V320V251-L255 WeakPolarHBondContact O-CG 3.16Å; V251-L255 PolarHBondContact O-N 3.49Å; L252-L255 PolarHBondContact O-N 3.29Å; T253-L255 VanDerWaalsContact C-N 3.31Å; T253-L255 PolarHBondContact O-N 3.15Å; L255-G259 WeakPolarHBondContact O-CA 3.09Å; L255-G259 PolarHBondContact O-N 2.96Å; L255-G259 VanDerWaalsContact O-N 3.16Å; L255-L285 HydrophobicContact CD1-CD2 3.51Å; L255-A286 HydrophobicContact CD1-CB 3.99Å; L255-A286 HydrophobicContact CD2-CB 3.91Å; L255-A286 HydrophobicContact CG-CB 4.29Å; L255-Y289 HydrophobicContact CD1-CG 4.43Å; L255-Y289 HydrophobicContact CD2-CD1 3.78Å; L255-Y289 HydrophobicContact CD2-CG 3.91Å; L255-V320 HydrophobicContact CB-CG1 4.26Å; L255-V320 HydrophobicContact CB-CG2 4.29Å; L255-V320 HydrophobicContact CD1-CG1 3.9Å
256L93Very high90.5Very high18 Ų1830.3 Ų30.39%0.09418%0.181CC..Hα-helixtrans-75.1-31.7178.9-68.3172.6000113.3M221 L252 T253 S254 L316 Q319 V320 Y323M221-L256 HydrophobicContact CE-CD1 3.99Å; M221-L256 HydrophobicContact SD-CD1 4.15Å; L252-L256 WeakPolarHBondContact O-CG 3.16Å; L252-L256 PolarHBondContact O-N 2.86Å; T253-L256 PolarHBondContact O-N 3.24Å; S254-L256 VanDerWaalsContact C-N 3.3Å; S254-L256 PolarHBondContact O-N 3.41Å; L256-L316 HydrophobicContact CD1-CD2 4.16Å; L256-Q319 HydrophobicContact CD1-CB 4.25Å; L256-Q319 HydrophobicContact CD2-CB 4.04Å; L256-V320 HydrophobicContact CD1-CG2 4.35Å; L256-V320 HydrophobicContact CD2-CB 4.5Å; L256-V320 HydrophobicContact CD2-CG2 3.91Å; L256-V320 HydrophobicContact CG-CG2 3.85Å; L256-Y323 HydrophobicContact CD2-CG 4.21Å; L256-Y323 WeakPolarHBondContact O-CE1 3.34Å
257V92.5Very high89.9Confident38 Ų3838 Ų3823%0.2321%0.212CC..Hα-helixtrans-86.1-53.1-178.2173.80000111.4M221 R222 L225 T253 S254M221-V257 VanDerWaalsContact C-CG2 3.46Å; M221-V257 HydrophobicContact CB-CG2 3.54Å; M221-V257 WeakPolarHBondContact O-CG2 3.35Å; R222-V257 HydrophobicContact CG-CG1 3.72Å; R222-V257 HydrophobicContact CG-CG2 4.31Å; L225-V257 HydrophobicContact CB-CG2 4.46Å; L225-V257 HydrophobicContact CD2-CB 4.2Å; L225-V257 HydrophobicContact CD2-CG1 4.28Å; L225-V257 HydrophobicContact CD2-CG2 4.38Å; T253-V257 WeakPolarHBondContact O-CG2 3.49Å; T253-V257 PolarHBondContact O-N 3.11Å; S254-V257 PolarHBondContact O-N 3.13Å
258S88.7Confident89.5Confident47 Ų4738.5 Ų38.533%0.32922%0.215SC..Hα-helixtrans-105.2-10.4-168.3-59.20000113.1S254 K260 E262S254-S258 PolarHBondContact O-N 2.87Å; S258-K260 PolarHBondContact O-N 3.39Å; S258-E262 WeakPolarHBondContact CB-OE1 3.32Å; S258-E262 PolarHBondContact OG-OE1 3.16Å
259G86.9Confident88.3Confident4 Ų441.3 Ų41.34%0.04124%0.242CC..SBendtrans66.713.7-173.100000113.5L255 Y289 K327L255-G259 WeakPolarHBondContact O-CA 3.09Å; L255-G259 PolarHBondContact O-N 2.96Å; L255-G259 VanDerWaalsContact O-N 3.16Å; G259-Y289 WeakPolarHBondContact O-CD1 3.37Å; G259-Y289 VanDerWaalsContact O-CE1 3.27Å; G259-Y289 WeakPolarHBondContact O-CE1 2.75Å; G259-K327 PolarHBondContact O-NZ 2.78Å
260K87.4Confident86.8Confident102 Ų10240.6 Ų40.644%0.44324%0.239SC..SBendtrans-150.4162.4177.161174.1-177.5168.50108.6S254 S258 E262S254-K260 CarbonylContact C-O 3.53Å; S254-K260 VanDerWaalsContact O-O 3.11Å; S254-K260 PolarHBondContact OG-O 2.87Å; S258-K260 PolarHBondContact O-N 3.39Å; K260-E262 IonicContact NZ-OE2 3.28Å; K260-E262 PolarHBondContact O-N 3.49Å
261L88Confident85.1Confident49 Ų4943.5 Ų43.526%0.25725%0.251SS..PPolyproline II helixtrans-71.2121.1165.8-168.758.3000108.2W250 V251 S254 A286W250-L261 HydrophobicContact CE3-CD1 4.06Å; W250-L261 HydrophobicContact CH2-CD1 4.04Å; W250-L261 HydrophobicContact CH2-CG 4.43Å; W250-L261 HydrophobicContact CZ3-CD1 3.49Å; W250-L261 VanDerWaalsContact CZ3-CD1 3.49Å; W250-L261 HydrophobicContact CZ3-CG 4.17Å; V251-L261 HydrophobicContact CB-CD1 4.22Å; V251-L261 HydrophobicContact CG1-CD1 4.12Å; V251-L261 HydrophobicContact CG2-CD1 4Å; S254-L261 WeakPolarHBondContact OG-CA 3.27Å; L261-A286 HydrophobicContact CB-CB 4.27Å; L261-A286 HydrophobicContact CD2-CB 4.41Å
262E86.5Confident83.6Confident59 Ų5950.1 Ų50.128%0.27629%0.287SS..PPolyproline II helixtrans-68.3159.4174-73.7-60.3165.800110.2L225 W250 S254 S258 K260L225-E262 HydrophobicContact CD2-CG 4.44Å; W250-E262 WeakPolarHBondContact CH2-O 3.48Å; W250-E262 HydrophobicContact CZ2-CB 4.03Å; S254-E262 WeakPolarHBondContact OG-CG 3.15Å; S254-E262 PolarHBondContact OG-N 3.09Å; S258-E262 WeakPolarHBondContact CB-OE1 3.32Å; S258-E262 PolarHBondContact OG-OE1 3.16Å; K260-E262 IonicContact NZ-OE2 3.28Å; K260-E262 PolarHBondContact O-N 3.49Å
263V86.1Confident82Confident126 Ų12654.7 Ų54.776%0.76430%0.304SS*.PPolyproline II helixtrans-90.6121.2175.9-174.10000106.6
264V84.6Confident80.4Confident15 Ų1555 Ų559%0.09131%0.305CS..PPolyproline II helixtrans-61.9149.4170.7-88.20000110.8I232 W250 F271I232-V264 HydrophobicContact CD1-CG1 3.52Å; I232-V264 HydrophobicContact CG1-CG1 4.37Å; W250-V264 HydrophobicContact CH2-CG1 3.72Å; W250-V264 HydrophobicContact CZ2-CG1 3.77Å; W250-V264 HydrophobicContact CZ3-CG1 4.32Å; V264-F271 HydrophobicContact CB-CD2 4.27Å; V264-F271 HydrophobicContact CB-CE2 4.36Å; V264-F271 HydrophobicContact CG1-CD2 4.28Å; V264-F271 HydrophobicContact CG1-CE2 4.27Å; V264-F271 HydrophobicContact CG2-CB 4.46Å; V264-F271 HydrophobicContact CG2-CD1 4.19Å; V264-F271 HydrophobicContact CG2-CD2 3.18Å; V264-F271 HydrophobicContact CG2-CE1 4.21Å; V264-F271 HydrophobicContact CG2-CE2 3.21Å; V264-F271 HydrophobicContact CG2-CG 3.69Å; V264-F271 HydrophobicContact CG2-CZ 3.74Å
265P85.2Confident78.4Confident29 Ų2959.9 Ų59.919%0.18833%0.331CS..PPolyproline II helixtrans-56.3144.1173.5-24.333.7000112.8E229 T233 Y267 T268E229-P265 WeakPolarHBondContact OE1-CD 3.46Å; E229-P265 WeakPolarHBondContact OE1-CG 3.4Å; T233-P265 HydrophobicContact CG2-CG 4.08Å; P265-Y267 HydrophobicContact CB-CD1 3.65Å; P265-Y267 HydrophobicContact CB-CD2 4.5Å; P265-Y267 HydrophobicContact CB-CE1 3.17Å; P265-Y267 HydrophobicContact CB-CE2 4.12Å; P265-Y267 HydrophobicContact CB-CG 4.29Å; P265-Y267 VanDerWaalsContact CB-CZ 3.43Å; P265-Y267 HydrophobicContact CG-CE1 3.99Å; P265-Y267 PolarHBondContact O-N 2.83Å; P265-Y267 VanDerWaalsContact O-N 3.12Å; P265-T268 VanDerWaalsContact O-CB 3.28Å; P265-T268 WeakPolarHBondContact O-CB 3.1Å; P265-T268 PolarHBondContact O-N 3.17Å; P265-T268 PolarHBondContact O-OG1 3.1Å
266A82.5Confident76.6Confident114 Ų11463.2 Ų63.294%0.94236%0.355SS*.THydrogen-bonded Turntrans-62-23.6-174.500000114.3T268A266-T268 PolarHBondContact O-N 2.86Å
267Y82.3Confident74.7Confident162 Ų16268.5 Ų68.564%0.63539%0.392SS*.THydrogen-bonded Turntrans-76.8-0.3177.660-101.2000113.6T233 P265 A269T233-Y267 HydrophobicContact CG2-CE2 4.05Å; P265-Y267 HydrophobicContact CB-CD1 3.65Å; P265-Y267 HydrophobicContact CB-CD2 4.5Å; P265-Y267 HydrophobicContact CB-CE1 3.17Å; P265-Y267 HydrophobicContact CB-CE2 4.12Å; P265-Y267 HydrophobicContact CB-CG 4.29Å; P265-Y267 VanDerWaalsContact CB-CZ 3.43Å; P265-Y267 HydrophobicContact CG-CE1 3.99Å; P265-Y267 PolarHBondContact O-N 2.83Å; P265-Y267 VanDerWaalsContact O-N 3.12Å; Y267-A269 PolarHBondContact O-N 3.33Å
268T81.6Confident73.5Confident11 Ų1170.9 Ų70.97%0.06741%0.41CS..  trans-69.990.7179.7-52.70000110.3I232 P265 A266 S270 F271I232-T268 WeakPolarHBondContact O-CG2 3.49Å; P265-T268 VanDerWaalsContact O-CB 3.28Å; P265-T268 WeakPolarHBondContact O-CB 3.1Å; P265-T268 PolarHBondContact O-N 3.17Å; P265-T268 PolarHBondContact O-OG1 3.1Å; A266-T268 PolarHBondContact O-N 2.86Å; T268-S270 PolarHBondContact O-N 2.91Å; T268-F271 HydrophobicContact CG2-CB 4.3Å; T268-F271 PolarHBondContact O-N 3.19Å
269A67.8Low72.9Confident78 Ų7869.4 Ų69.465%0.64540%0.398SS*.THydrogen-bonded Turntrans-57.6-20.2-177.500000113.9Y267Y267-A269 PolarHBondContact O-N 3.33Å
270S63.1Low72.7Confident1 Ų169.9 Ų69.91%0.00740%0.403CS..THydrogen-bonded Turntrans-91.6-4.9-172.4-57.90000115.2T268 D272 R273T268-S270 PolarHBondContact O-N 2.91Å; S270-D272 PolarHBondContact O-N 3.27Å; S270-R273 VanDerWaalsContact CB-NH2 3.26Å; S270-R273 WeakPolarHBondContact O-CB 3.38Å; S270-R273 PolarHBondContact O-N 3.2Å; S270-R273 PolarHBondContact OG-NH2 2.92Å
271F59.3Low72.6Confident60 Ų6067 Ų6726%0.26339%0.389SS..G310 helixtrans-66.6-42.4-157.2-170-111.3000115Y247 V264 T268 R273 F274Y247-F271 HydrophobicContact CE2-CE2 4.24Å; V264-F271 HydrophobicContact CB-CD2 4.27Å; V264-F271 HydrophobicContact CB-CE2 4.36Å; V264-F271 HydrophobicContact CG1-CD2 4.28Å; V264-F271 HydrophobicContact CG1-CE2 4.27Å; V264-F271 HydrophobicContact CG2-CB 4.46Å; V264-F271 HydrophobicContact CG2-CD1 4.19Å; V264-F271 HydrophobicContact CG2-CD2 3.18Å; V264-F271 HydrophobicContact CG2-CE1 4.21Å; V264-F271 HydrophobicContact CG2-CE2 3.21Å; V264-F271 HydrophobicContact CG2-CG 3.69Å; V264-F271 HydrophobicContact CG2-CZ 3.74Å; T268-F271 HydrophobicContact CG2-CB 4.3Å; T268-F271 PolarHBondContact O-N 3.19Å; F271-R273 PolarHBondContact O-N 2.97Å; F271-F274 HydrophobicContact CD2-CD2 4.04Å; F271-F274 PolarHBondContact O-N 2.84Å
272D60.5Low72.8Confident140 Ų14064.7 Ų64.775%0.74938%0.377SS*.G310 helixtrans-60.1-25.5-177.8-73.4-22.9000112.8S270 F274 N275S270-D272 PolarHBondContact O-N 3.27Å; D272-F274 VanDerWaalsContact C-N 3.28Å; D272-F274 PolarHBondContact O-N 3.21Å; D272-N275 PolarHBondContact O-N 2.95Å
273R60.9Low72.8Confident95 Ų9562.5 Ų62.536%0.35837%0.368SS..G310 helixtrans-68.2-28.7178.9-51.9-169.2-72.5-143.78.1112.1S236 S270 F271 N275 S276S236-R273 PolarHBondContact O-NH1 2.95Å; S236-R273 PolarHBondContact O-NH2 2.91Å; S236-R273 PolarHBondContact OG-NH2 3.21Å; S270-R273 VanDerWaalsContact CB-NH2 3.26Å; S270-R273 WeakPolarHBondContact O-CB 3.38Å; S270-R273 PolarHBondContact O-N 3.2Å; S270-R273 PolarHBondContact OG-NH2 2.92Å; F271-R273 PolarHBondContact O-N 2.97Å; R273-N275 VanDerWaalsContact C-N 3.26Å; R273-N275 PolarHBondContact O-N 3.35Å; R273-S276 WeakPolarHBondContact O-CB 3.44Å; R273-S276 PolarHBondContact O-N 3.42Å; R273-S276 PolarHBondContact O-OG 3.12Å
274F62.4Low72.9Confident8 Ų860.6 Ų60.64%0.03535%0.353CS..G310 helixtrans-74-14.8-177.5-61.8-59.2000114.5I232 V243 Y247 F271 D272 S276 F279I232-F274 HydrophobicContact CB-CZ 4.43Å; V243-F274 HydrophobicContact CG1-CE1 3.92Å; V243-F274 HydrophobicContact CG1-CZ 3.58Å; Y247-F274 HydrophobicContact CD1-CB 3.99Å; Y247-F274 AromaticContact CD1-CD1 3.77Å; Y247-F274 HydrophobicContact CD1-CD1 3.77Å; Y247-F274 AromaticContact CD1-CG 3.98Å; Y247-F274 HydrophobicContact CD1-CG 3.98Å; Y247-F274 HydrophobicContact CD2-CB 4.09Å; Y247-F274 AromaticContact CD2-CD1 3.8Å; Y247-F274 HydrophobicContact CD2-CD1 3.8Å; Y247-F274 AromaticContact CD2-CD2 3.68Å; Y247-F274 HydrophobicContact CD2-CD2 3.68Å; Y247-F274 HydrophobicContact CD2-CE1 4.13Å; Y247-F274 HydrophobicContact CD2-CE2 4.03Å; Y247-F274 AromaticContact CD2-CG 3.59Å; Y247-F274 HydrophobicContact CD2-CG 3.59Å; Y247-F274 HydrophobicContact CD2-CZ 4.25Å; Y247-F274 HydrophobicContact CE1-CB 3.61Å; Y247-F274 HydrophobicContact CE1-CD1 4.3Å; Y247-F274 HydrophobicContact CE1-CG 4.08Å; Y247-F274 HydrophobicContact CE2-CB 3.71Å; Y247-F274 HydrophobicContact CE2-CD1 4.32Å; Y247-F274 AromaticContact CE2-CD2 3.77Å; Y247-F274 HydrophobicContact CE2-CD2 3.77Å; Y247-F274 HydrophobicContact CE2-CE2 4.49Å; Y247-F274 AromaticContact CE2-CG 3.69Å; Y247-F274 HydrophobicContact CE2-CG 3.69Å; Y247-F274 HydrophobicContact CG-CB 4.22Å; Y247-F274 AromaticContact CG-CD1 3.49Å; Y247-F274 HydrophobicContact CG-CD1 3.49Å; Y247-F274 VanDerWaalsContact CG-CD1 3.49Å; Y247-F274 HydrophobicContact CG-CD2 4.26Å; Y247-F274 AromaticContact CG-CE1 3.87Å; Y247-F274 HydrophobicContact CG-CE1 3.87Å; Y247-F274 AromaticContact CG-CG 3.74Å; Y247-F274 HydrophobicContact CG-CG 3.74Å; Y247-F274 HydrophobicContact CG-CZ 4.41Å; Y247-F274 VanDerWaalsContact CZ-CB 3.45Å; Y247-F274 AromaticContact CZ-CG 3.93Å; F271-F274 HydrophobicContact CD2-CD2 4.04Å; F271-F274 PolarHBondContact O-N 2.84Å; D272-F274 VanDerWaalsContact C-N 3.28Å; D272-F274 PolarHBondContact O-N 3.21Å; F274-S276 VanDerWaalsContact C-N 3.31Å; F274-F279 HydrophobicContact CB-CE2 3.85Å; F274-F279 HydrophobicContact CB-CZ 4.24Å; F274-F279 AromaticContact CD1-CE2 3.87Å; F274-F279 HydrophobicContact CD1-CE2 3.87Å; F274-F279 AromaticContact CD1-CZ 3.77Å; F274-F279 HydrophobicContact CD1-CZ 3.77Å; F274-F279 HydrophobicContact CG-CE2 4.35Å; F274-F279 HydrophobicContact CG-CZ 4.48Å; F274-F279 WeakPolarHBondContact O-CE2 3.4Å
275N53.5Low73.3Confident101 Ų10159.9 Ų59.954%0.5435%0.349SS..G310 helixtrans-87.61.9174.2-81-29.4000113.6D272 R273D272-N275 PolarHBondContact O-N 2.95Å; R273-N275 VanDerWaalsContact C-N 3.26Å; R273-N275 PolarHBondContact O-N 3.35Å
276S55.2Low73.6Confident71 Ų7158.6 Ų58.650%0.49734%0.341SS..SBendtrans-76.8144.7179-590000112.3R273 F274 S278R273-S276 WeakPolarHBondContact O-CB 3.44Å; R273-S276 PolarHBondContact O-N 3.42Å; R273-S276 PolarHBondContact O-OG 3.12Å; F274-S276 VanDerWaalsContact C-N 3.31Å; S276-S278 PolarHBondContact O-N 3.32Å
277C53.5Low73.9Confident128 Ų12856.5 Ų56.587%0.86531%0.314SS*.THydrogen-bonded Turntrans-47.8-15.9-162.4-67.10000119.4F279C277-F279 VanDerWaalsContact C-N 3.35Å; C277-F279 PolarHBondContact O-N 3.17Å
278S67.8Low74.3Confident88 Ų8848.8 Ų48.862%0.61528%0.284SS*.THydrogen-bonded Turntrans-75.1-17.5-171.9-168.80000114.5S276 W281S276-S278 PolarHBondContact O-N 3.32Å; S278-W281 WeakPolarHBondContact O-CH2 3.49Å; S278-W281 VanDerWaalsContact O-CZ2 3.25Å; S278-W281 WeakPolarHBondContact O-CZ2 3.31Å; S278-W281 VanDerWaalsContact O-CZ3 3.23Å; S278-W281 WeakPolarHBondContact O-CZ3 3.42Å
279F76.9Confident74.7Confident17 Ų1748.3 Ų48.38%0.07528%0.28CS..SBendtrans-145.618.8175.948.4-89.9000113T244 Y247 K248 F274 C277 W281 Y282T244-F279 HydrophobicContact CG2-CD1 4.06Å; T244-F279 HydrophobicContact CG2-CE1 3.95Å; Y247-F279 AromaticContact CD1-CD2 3.95Å; Y247-F279 HydrophobicContact CD1-CD2 3.95Å; Y247-F279 AromaticContact CD1-CE2 3.61Å; Y247-F279 HydrophobicContact CD1-CE2 3.61Å; Y247-F279 HydrophobicContact CE1-CD2 4.05Å; Y247-F279 AromaticContact CE1-CE2 3.76Å; Y247-F279 HydrophobicContact CE1-CE2 3.76Å; K248-F279 HydrophobicContact CG-CB 4.47Å; F274-F279 HydrophobicContact CB-CE2 3.85Å; F274-F279 HydrophobicContact CB-CZ 4.24Å; F274-F279 AromaticContact CD1-CE2 3.87Å; F274-F279 HydrophobicContact CD1-CE2 3.87Å; F274-F279 AromaticContact CD1-CZ 3.77Å; F274-F279 HydrophobicContact CD1-CZ 3.77Å; F274-F279 HydrophobicContact CG-CE2 4.35Å; F274-F279 HydrophobicContact CG-CZ 4.48Å; F274-F279 WeakPolarHBondContact O-CE2 3.4Å; C277-F279 VanDerWaalsContact C-N 3.35Å; C277-F279 PolarHBondContact O-N 3.17Å; F279-W281 PolarHBondContact O-N 3.01Å; F279-Y282 HydrophobicContact CB-CD2 4.03Å; F279-Y282 WeakPolarHBondContact O-CB 3.42Å; F279-Y282 PolarHBondContact O-N 3.24Å
280G81.5Confident75.6Confident14 Ų1451.7 Ų51.714%0.14428%0.28CS..Hα-helixtrans-57.2-18.2178.300000114Y282 C283 N284G280-Y282 PolarHBondContact O-N 3.05Å; G280-C283 PolarHBondContact O-N 3.11Å; G280-C283 VanDerWaalsContact O-N 3.16Å; G280-N284 PolarHBondContact O-N 3.33Å; G280-N284 PolarHBondContact O-OD1 3.07Å
281W86Confident76.8Confident42 Ų4258.9 Ų58.916%0.15931%0.308CS..Hα-helixtrans-64.8-24.3172.75580000113.9S278 F279 L285 I300 R304 F308S278-W281 WeakPolarHBondContact O-CH2 3.49Å; S278-W281 VanDerWaalsContact O-CZ2 3.25Å; S278-W281 WeakPolarHBondContact O-CZ2 3.31Å; S278-W281 VanDerWaalsContact O-CZ3 3.23Å; S278-W281 WeakPolarHBondContact O-CZ3 3.42Å; F279-W281 PolarHBondContact O-N 3.01Å; W281-L285 WeakPolarHBondContact O-CB 3.38Å; W281-L285 PolarHBondContact O-N 3.03Å; W281-I300 HydrophobicContact CB-CG2 4.39Å; W281-R304 HydrophobicContact CB-CG 4.21Å; W281-R304 HydrophobicContact CG-CG 4.29Å; W281-F308 AromaticContact CD1-CE1 3.59Å; W281-F308 AromaticContact CD1-CZ 3.7Å; W281-F308 AromaticContact NE1-CE1 3.96Å
282Y91.1Very high77.8Confident0 Ų058.4 Ų58.40%032%0.315CS..Hα-helixtrans-68.1-44.3170.7-76.2-89.2000111K248 L252 F279 G280 L285 A286 F308 D311 N313K248-Y282 HydrophobicContact CB-CD1 4.26Å; K248-Y282 HydrophobicContact CB-CD2 4.37Å; K248-Y282 HydrophobicContact CB-CE1 3.96Å; K248-Y282 HydrophobicContact CB-CE2 4.05Å; K248-Y282 HydrophobicContact CB-CG 4.47Å; K248-Y282 HydrophobicContact CD-CD2 4.42Å; K248-Y282 HydrophobicContact CD-CE2 3.74Å; K248-Y282 HydrophobicContact CG-CD2 3.86Å; K248-Y282 HydrophobicContact CG-CE1 4.43Å; K248-Y282 HydrophobicContact CG-CE2 3.62Å; K248-Y282 HydrophobicContact CG-CG 4.36Å; L252-Y282 HydrophobicContact CD1-CD1 4.4Å; L252-Y282 HydrophobicContact CD1-CE1 3.85Å; L252-Y282 HydrophobicContact CD2-CD1 4.15Å; L252-Y282 HydrophobicContact CD2-CE1 4.3Å; L252-Y282 HydrophobicContact CG-CD1 4.07Å; L252-Y282 HydrophobicContact CG-CE1 4.02Å; F279-Y282 HydrophobicContact CB-CD2 4.03Å; F279-Y282 WeakPolarHBondContact O-CB 3.42Å; F279-Y282 PolarHBondContact O-N 3.24Å; G280-Y282 PolarHBondContact O-N 3.05Å; Y282-L285 PolarHBondContact O-N 2.89Å; Y282-A286 PolarHBondContact O-N 3.1Å; Y282-F308 HydrophobicContact CD1-CE1 4.13Å; Y282-F308 HydrophobicContact CD2-CE1 4.38Å; Y282-F308 AromaticContact CE1-CD1 3.94Å; Y282-F308 HydrophobicContact CE1-CD1 3.94Å; Y282-F308 AromaticContact CE1-CE1 3.7Å; Y282-F308 HydrophobicContact CE1-CE1 3.7Å; Y282-F308 HydrophobicContact CE2-CD1 4.28Å; Y282-F308 HydrophobicContact CE2-CE1 4.01Å; Y282-F308 HydrophobicContact CG-CE1 4.45Å; Y282-F308 AromaticContact CZ-CD1 3.64Å; Y282-F308 AromaticContact CZ-CE1 3.64Å; Y282-F308 WeakPolarHBondContact OH-CD1 3.43Å; Y282-D311 WeakPolarHBondContact OH-CB 3.37Å; Y282-D311 PolarHBondContact OH-OD2 2.91Å; Y282-D311 VanDerWaalsContact OH-OD2 3.13Å; Y282-N313 PolarHBondContact OH-ND2 3.14Å
283C87.4Confident79Confident12 Ų1254.6 Ų54.68%0.08129%0.294CS..Hα-helixtrans-65.1-44.8174.3-59.60000111.3G280 L285 A286 D287G280-C283 PolarHBondContact O-N 3.11Å; G280-C283 VanDerWaalsContact O-N 3.16Å; C283-L285 VanDerWaalsContact C-N 3.25Å; C283-L285 PolarHBondContact O-N 3.41Å; C283-A286 CarbonylContact O-C 3.56Å; C283-A286 WeakPolarHBondContact O-CA 3.22Å; C283-A286 WeakPolarHBondContact O-CB 3.46Å; C283-A286 PolarHBondContact O-N 3.33Å; C283-D287 PolarHBondContact O-N 3.11Å
284N88.7Confident80Confident87 Ų8751.4 Ų51.447%0.46528%0.283SS..Hα-helixtrans-60.3-37.5176.5-64.5-11.9000111.9G280 D287 A288 I300G280-N284 PolarHBondContact O-N 3.33Å; G280-N284 PolarHBondContact O-OD1 3.07Å; N284-D287 PolarHBondContact O-N 2.94Å; N284-A288 WeakPolarHBondContact O-CB 3.39Å; N284-A288 PolarHBondContact O-N 3.46Å; N284-I300 HydrophobicContact CB-CD1 3.98Å
285L91.6Very high81.1Confident0 Ų053.5 Ų53.50%030%0.302CS..Hα-helixtrans-65.7-42174.1-179155.2000111L252 L255 W281 Y282 C283 D287 A288 Y289 I300 C301 F308 V317 V320L252-L285 HydrophobicContact CD2-CD2 4.31Å; L255-L285 HydrophobicContact CD1-CD2 3.51Å; W281-L285 WeakPolarHBondContact O-CB 3.38Å; W281-L285 PolarHBondContact O-N 3.03Å; Y282-L285 PolarHBondContact O-N 2.89Å; C283-L285 VanDerWaalsContact C-N 3.25Å; C283-L285 PolarHBondContact O-N 3.41Å; L285-D287 VanDerWaalsContact C-N 3.33Å; L285-D287 PolarHBondContact O-N 3.45Å; L285-A288 PolarHBondContact O-N 3.07Å; L285-Y289 VanDerWaalsContact O-CB 3.3Å; L285-Y289 WeakPolarHBondContact O-CB 3.21Å; L285-Y289 PolarHBondContact O-N 3Å; L285-I300 HydrophobicContact CB-CG2 4.26Å; L285-C301 VanDerWaalsContact CD1-SG 3.59Å; L285-F308 HydrophobicContact CD1-CZ 4.03Å; L285-V317 HydrophobicContact CD1-CG1 4.19Å; L285-V320 HydrophobicContact CD2-CG1 3.92Å
286A91.2Very high82.8Confident1 Ų150.9 Ų50.91%0.00829%0.286CS..Hα-helixtrans-62.7-38.7173.900000112.6V251 L255 L261 Y282 C283 Y289 K290V251-A286 HydrophobicContact CG1-CB 4Å; L255-A286 HydrophobicContact CD1-CB 3.99Å; L255-A286 HydrophobicContact CD2-CB 3.91Å; L255-A286 HydrophobicContact CG-CB 4.29Å; L261-A286 HydrophobicContact CB-CB 4.27Å; L261-A286 HydrophobicContact CD2-CB 4.41Å; Y282-A286 PolarHBondContact O-N 3.1Å; C283-A286 CarbonylContact O-C 3.56Å; C283-A286 WeakPolarHBondContact O-CA 3.22Å; C283-A286 WeakPolarHBondContact O-CB 3.46Å; C283-A286 PolarHBondContact O-N 3.33Å; A286-Y289 WeakPolarHBondContact O-CB 3.33Å; A286-Y289 PolarHBondContact O-N 3.43Å; A286-K290 WeakPolarHBondContact O-CB 3.28Å; A286-K290 PolarHBondContact O-N 3.37Å
287D89.3Confident84.5Confident71 Ų7147.5 Ų47.538%0.3826%0.262SS..Hα-helixtrans-67.8-44176.2-77.5-24.2000112.3C283 N284 L285 Y289 K290 R291C283-D287 PolarHBondContact O-N 3.11Å; N284-D287 PolarHBondContact O-N 2.94Å; L285-D287 VanDerWaalsContact C-N 3.33Å; L285-D287 PolarHBondContact O-N 3.45Å; D287-Y289 VanDerWaalsContact C-N 3.3Å; D287-Y289 PolarHBondContact O-N 3.01Å; D287-K290 PolarHBondContact O-N 3.47Å; D287-R291 WeakPolarHBondContact O-CG 3.33Å; D287-R291 PolarHBondContact O-N 3.42Å
288A90.4Very high86.2Confident0 Ų043.6 Ų43.60%023%0.233CC..Hα-helixtrans-60.6-42173.200000111.1N284 L285 K290 R291 A292 D293 E296 L297 I300N284-A288 WeakPolarHBondContact O-CB 3.39Å; N284-A288 PolarHBondContact O-N 3.46Å; L285-A288 PolarHBondContact O-N 3.07Å; A288-K290 PolarHBondContact O-N 3.19Å; A288-R291 PolarHBondContact O-N 2.98Å; A288-A292 PolarHBondContact O-N 3.47Å; A288-A292 VanDerWaalsContact O-N 3.14Å; A288-D293 PolarHBondContact O-N 3.17Å; A288-E296 HydrophobicContact CB-CB 4.27Å; A288-E296 HydrophobicContact CB-CG 3.99Å; A288-L297 HydrophobicContact CB-CB 4.1Å; A288-I300 HydrophobicContact CB-CD1 4.28Å
289Y90.6Very high87.3Confident1 Ų146.3 Ų46.30%0.00423%0.23CC..Hα-helixtrans-61.1-43.7174.9-170-76.6000111.8L255 G259 L285 A286 D287 A292 L297 V320 Y323 C324 K327L255-Y289 HydrophobicContact CD1-CG 4.43Å; L255-Y289 HydrophobicContact CD2-CD1 3.78Å; L255-Y289 HydrophobicContact CD2-CG 3.91Å; G259-Y289 WeakPolarHBondContact O-CD1 3.37Å; G259-Y289 VanDerWaalsContact O-CE1 3.27Å; G259-Y289 WeakPolarHBondContact O-CE1 2.75Å; L285-Y289 VanDerWaalsContact O-CB 3.3Å; L285-Y289 WeakPolarHBondContact O-CB 3.21Å; L285-Y289 PolarHBondContact O-N 3Å; A286-Y289 WeakPolarHBondContact O-CB 3.33Å; A286-Y289 PolarHBondContact O-N 3.43Å; D287-Y289 VanDerWaalsContact C-N 3.3Å; D287-Y289 PolarHBondContact O-N 3.01Å; Y289-A292 PolarHBondContact O-N 3.01Å; Y289-A292 VanDerWaalsContact O-N 3.17Å; Y289-L297 HydrophobicContact CD2-CD1 3.82Å; Y289-L297 HydrophobicContact CG-CD1 4.35Å; Y289-V320 HydrophobicContact CD2-CG1 3.55Å; Y289-V320 HydrophobicContact CE2-CG1 3.79Å; Y289-Y323 WeakPolarHBondContact OH-CD1 3.35Å; Y289-Y323 PolarHBondContact OH-O 3.39Å; Y289-C324 HydrophobicContact CD2-CB 3.72Å; Y289-C324 VanDerWaalsContact CE2-CA 3.42Å; Y289-C324 HydrophobicContact CE2-CB 3.34Å; Y289-K327 HydrophobicContact CE1-CD 3.72Å
290K87.8Confident88.1Confident148 Ų14846 Ų4664%0.64323%0.229SC*.Hα-helixtrans-63.9-40.9178-178.5-179.9175.8-177.10111.9A286 D287 A288 A292A286-K290 WeakPolarHBondContact O-CB 3.28Å; A286-K290 PolarHBondContact O-N 3.37Å; D287-K290 PolarHBondContact O-N 3.47Å; A288-K290 PolarHBondContact O-N 3.19Å; K290-A292 PolarHBondContact O-N 3.34Å
291R86.4Confident88.6Confident153 Ų15345.6 Ų45.658%0.57722%0.224SC*.THydrogen-bonded Turntrans-73.2-6.6176-68.3-169.6-60.2-92.4-1.3113.9D287 A288 D293D287-R291 WeakPolarHBondContact O-CG 3.33Å; D287-R291 PolarHBondContact O-N 3.42Å; A288-R291 PolarHBondContact O-N 2.98Å; R291-D293 HydrophobicContact CB-CB 4.43Å; R291-D293 PolarHBondContact O-N 2.92Å
292A81.3Confident88.9Confident50 Ų5048.7 Ų48.741%0.41325%0.247SC..THydrogen-bonded Turntrans56.133-171.600000113.2A288 Y289 K290 F294A288-A292 PolarHBondContact O-N 3.47Å; A288-A292 VanDerWaalsContact O-N 3.14Å; Y289-A292 PolarHBondContact O-N 3.01Å; Y289-A292 VanDerWaalsContact O-N 3.17Å; K290-A292 PolarHBondContact O-N 3.34Å; A292-F294 PolarHBondContact O-N 3.12Å
293D85.7Confident89Confident60 Ų6052.6 Ų52.632%0.32127%0.274SS..  trans-92.292.5177-173.7-14.1000110.1A288 R291 A295 E296 L297A288-D293 PolarHBondContact O-N 3.17Å; R291-D293 HydrophobicContact CB-CB 4.43Å; R291-D293 PolarHBondContact O-N 2.92Å; D293-A295 VanDerWaalsContact C-N 3.3Å; D293-A295 PolarHBondContact O-N 3.16Å; D293-A295 PolarHBondContact OD1-N 3.33Å; D293-E296 HydrophobicContact CB-CB 4.2Å; D293-E296 VanDerWaalsContact CG-CB 3.47Å; D293-E296 PolarHBondContact OD1-N 3.37Å; D293-E296 WeakPolarHBondContact OD2-CB 3.21Å; D293-L297 VanDerWaalsContact O-CB 3.3Å; D293-L297 WeakPolarHBondContact O-CB 3.47Å; D293-L297 PolarHBondContact O-N 3.12Å
294F81.7Confident89.2Confident28 Ų2857.4 Ų57.412%0.12329%0.291CS..Hα-helixtrans-71.9-25.4-177.3-167.3-101.3000112.8A292 N298 Q349A292-F294 PolarHBondContact O-N 3.12Å; F294-N298 WeakPolarHBondContact CD1-ND2 3.41Å; F294-N298 WeakPolarHBondContact CE1-ND2 3.23Å; F294-N298 VanDerWaalsContact O-CB 3.32Å; F294-N298 WeakPolarHBondContact O-CB 3.4Å; F294-N298 PolarHBondContact O-N 2.89Å; F294-N298 PolarHBondContact O-ND2 2.94Å; F294-Q349 VanDerWaalsContact C-OE1 3.27Å; F294-Q349 HydrophobicContact CB-CB 4.29Å; F294-Q349 HydrophobicContact CB-CG 4.37Å; F294-Q349 HydrophobicContact CD1-CB 3.49Å; F294-Q349 VanDerWaalsContact CD1-CB 3.49Å; F294-Q349 HydrophobicContact CD1-CG 4.39Å; F294-Q349 HydrophobicContact CE1-CB 4.14Å; F294-Q349 HydrophobicContact CG-CB 4.25Å
295A84.8Confident89.4Confident51 Ų5157.6 Ų57.642%0.42129%0.289SS..Hα-helixtrans-70.9-47.5179.600000109.2D293 N298 R299D293-A295 VanDerWaalsContact C-N 3.3Å; D293-A295 PolarHBondContact O-N 3.16Å; D293-A295 PolarHBondContact OD1-N 3.33Å; A295-N298 PolarHBondContact O-N 3.34Å; A295-R299 WeakPolarHBondContact O-CB 3.32Å; A295-R299 PolarHBondContact O-N 2.99Å
296E90Very high89.5Confident46 Ų4665.6 Ų65.622%0.21533%0.326CS..Hα-helixtrans-65.7-42.4175.4-178.358.6-170.200111.7A288 D293 N298 R299 I300A288-E296 HydrophobicContact CB-CB 4.27Å; A288-E296 HydrophobicContact CB-CG 3.99Å; D293-E296 HydrophobicContact CB-CB 4.2Å; D293-E296 VanDerWaalsContact CG-CB 3.47Å; D293-E296 PolarHBondContact OD1-N 3.37Å; D293-E296 WeakPolarHBondContact OD2-CB 3.21Å; E296-N298 VanDerWaalsContact C-N 3.33Å; E296-N298 PolarHBondContact O-N 3.25Å; E296-R299 WeakPolarHBondContact O-CB 3.44Å; E296-R299 PolarHBondContact O-N 3.07Å; E296-R299 IonicContact OE1-CZ 3.03Å; E296-R299 IonicContact OE1-NE 2.9Å; E296-R299 IonicContact OE1-NH2 3.82Å; E296-R299 PolarHBondContact OE1-NH2 2.81Å; E296-R299 IonicContact OE2-CZ 3.65Å; E296-R299 IonicContact OE2-NE 2.83Å; E296-R299 PolarHBondContact OE2-NE 3.32Å; E296-R299 IonicContact OE2-NH2 2.82Å; E296-R299 PolarHBondContact OE2-NH2 3.33Å; E296-I300 HydrophobicContact CG-CD1 3.98Å; E296-I300 HydrophobicContact CG-CG1 4.47Å; E296-I300 WeakPolarHBondContact O-CG1 3.34Å; E296-I300 PolarHBondContact O-N 3.44Å
297L90.2Very high89.5Confident0 Ų066.7 Ų66.70%033%0.334CS..Hα-helixtrans-60.4-43.2177.6-175.5148.2000111.7A288 Y289 D293 C301 K321 C324A288-L297 HydrophobicContact CB-CB 4.1Å; Y289-L297 HydrophobicContact CD2-CD1 3.82Å; Y289-L297 HydrophobicContact CG-CD1 4.35Å; D293-L297 VanDerWaalsContact O-CB 3.3Å; D293-L297 WeakPolarHBondContact O-CB 3.47Å; D293-L297 PolarHBondContact O-N 3.12Å; L297-C301 WeakPolarHBondContact O-CB 3.4Å; L297-C301 PolarHBondContact O-N 3.25Å; L297-C301 PolarHBondContact O-SG 2.86Å; L297-K321 HydrophobicContact CD2-CB 4.42Å; L297-K321 HydrophobicContact CD2-CG 3.59Å; L297-C324 HydrophobicContact CD1-CB 4.45Å
298N89Confident89.7Confident46 Ų4663.4 Ų63.425%0.24632%0.316CS..Hα-helixtrans-66.4-41.6174.4-81.9-34000112.5F294 A295 E296 I300 C301 T302F294-N298 WeakPolarHBondContact CD1-ND2 3.41Å; F294-N298 WeakPolarHBondContact CE1-ND2 3.23Å; F294-N298 VanDerWaalsContact O-CB 3.32Å; F294-N298 WeakPolarHBondContact O-CB 3.4Å; F294-N298 PolarHBondContact O-N 2.89Å; F294-N298 PolarHBondContact O-ND2 2.94Å; A295-N298 PolarHBondContact O-N 3.34Å; E296-N298 VanDerWaalsContact C-N 3.33Å; E296-N298 PolarHBondContact O-N 3.25Å; N298-I300 VanDerWaalsContact C-N 3.35Å; N298-I300 PolarHBondContact O-N 3.18Å; N298-C301 PolarHBondContact O-N 3.34Å; N298-T302 WeakPolarHBondContact O-CB 3.4Å; N298-T302 PolarHBondContact O-N 3.08Å; N298-T302 PolarHBondContact O-OG1 3.03Å
299R92.5Very high89.9Confident146 Ų14666.9 Ų66.955%0.55134%0.338SS*.Hα-helixtrans-58.1-47.5177.1-168.6-172.372.690.91.3111.2A295 E296 T302 S303A295-R299 WeakPolarHBondContact O-CB 3.32Å; A295-R299 PolarHBondContact O-N 2.99Å; E296-R299 WeakPolarHBondContact O-CB 3.44Å; E296-R299 PolarHBondContact O-N 3.07Å; E296-R299 IonicContact OE1-CZ 3.03Å; E296-R299 IonicContact OE1-NE 2.9Å; E296-R299 IonicContact OE1-NH2 3.82Å; E296-R299 PolarHBondContact OE1-NH2 2.81Å; E296-R299 IonicContact OE2-CZ 3.65Å; E296-R299 IonicContact OE2-NE 2.83Å; E296-R299 PolarHBondContact OE2-NE 3.32Å; E296-R299 IonicContact OE2-NH2 2.82Å; E296-R299 PolarHBondContact OE2-NH2 3.33Å; R299-T302 PolarHBondContact O-N 3.05Å; R299-S303 WeakPolarHBondContact O-CB 3.41Å; R299-S303 PolarHBondContact O-N 3.44Å
300I92.6Very high90Very high11 Ų1174.6 Ų74.66%0.05637%0.373CS..Hα-helixtrans-60.6-47.7177.1-66.2166.4000110.2W281 N284 L285 A288 E296 N298 T302 S303 R304W281-I300 HydrophobicContact CB-CG2 4.39Å; N284-I300 HydrophobicContact CB-CD1 3.98Å; L285-I300 HydrophobicContact CB-CG2 4.26Å; A288-I300 HydrophobicContact CB-CD1 4.28Å; E296-I300 HydrophobicContact CG-CD1 3.98Å; E296-I300 HydrophobicContact CG-CG1 4.47Å; E296-I300 WeakPolarHBondContact O-CG1 3.34Å; E296-I300 PolarHBondContact O-N 3.44Å; N298-I300 VanDerWaalsContact C-N 3.35Å; N298-I300 PolarHBondContact O-N 3.18Å; I300-T302 PolarHBondContact O-N 3.21Å; I300-S303 PolarHBondContact O-N 2.78Å; I300-R304 WeakPolarHBondContact O-CB 3.22Å; I300-R304 PolarHBondContact O-N 3.33Å
301C91.9Very high90.2Very high5 Ų568.4 Ų68.43%0.03435%0.348CS..Hα-helixtrans-63.8-39.8-178.1-67.60000113.4L285 L297 N298 H305 V317 K321L285-C301 VanDerWaalsContact CD1-SG 3.59Å; L297-C301 WeakPolarHBondContact O-CB 3.4Å; L297-C301 PolarHBondContact O-N 3.25Å; L297-C301 PolarHBondContact O-SG 2.86Å; N298-C301 PolarHBondContact O-N 3.34Å; C301-H305 WeakPolarHBondContact O-CA 3.42Å; C301-H305 WeakPolarHBondContact O-CB 3.39Å; C301-H305 PolarHBondContact O-N 2.96Å; C301-H305 VanDerWaalsContact O-N 3.16Å; C301-V317 HydrophobicContact CB-CG1 4.35Å; C301-V317 VanDerWaalsContact SG-CG1 3.53Å; C301-K321 HydrophobicContact CB-CD 4.45Å; C301-K321 WeakPolarHBondContact SG-CE 3.28Å
302T92.4Very high90.5Very high106 Ų10670 Ų7065%0.6536%0.358SS*.Hα-helixtrans-73.1-43.9177.9-56.30000110.9N298 R299 I300 R304N298-T302 WeakPolarHBondContact O-CB 3.4Å; N298-T302 PolarHBondContact O-N 3.08Å; N298-T302 PolarHBondContact O-OG1 3.03Å; R299-T302 PolarHBondContact O-N 3.05Å; I300-T302 PolarHBondContact O-N 3.21Å; T302-R304 VanDerWaalsContact C-N 3.32Å; T302-R304 PolarHBondContact O-N 2.74Å
303S93.3Very high91.2Very high82 Ų8267.6 Ų67.657%0.57334%0.339SS*.Hα-helixtrans-65-33.5-179.8175.80000113.1R299 I300R299-S303 WeakPolarHBondContact O-CB 3.41Å; R299-S303 PolarHBondContact O-N 3.44Å; I300-S303 PolarHBondContact O-N 2.78Å
304R91.8Very high91.5Very high114 Ų11466.6 Ų66.643%0.4333%0.334SS..THydrogen-bonded Turntrans-111.218.5-176.2-59.8-63.5-176.1170.2-0.1113.8W281 I300 T302 Q306 S307 F308W281-R304 HydrophobicContact CB-CG 4.21Å; W281-R304 HydrophobicContact CG-CG 4.29Å; I300-R304 WeakPolarHBondContact O-CB 3.22Å; I300-R304 PolarHBondContact O-N 3.33Å; T302-R304 VanDerWaalsContact C-N 3.32Å; T302-R304 PolarHBondContact O-N 2.74Å; R304-Q306 VanDerWaalsContact C-N 3.3Å; R304-Q306 PolarHBondContact O-N 2.9Å; R304-S307 WeakPolarHBondContact O-CB 3.36Å; R304-S307 PolarHBondContact O-N 3.41Å; R304-F308 HydrophobicContact CB-CD2 4.3Å; R304-F308 HydrophobicContact CB-CE2 3.8Å; R304-F308 HydrophobicContact CB-CZ 4.33Å; R304-F308 VanDerWaalsContact O-CD2 3.22Å; R304-F308 WeakPolarHBondContact O-CD2 3.24Å; R304-F308 PolarHBondContact O-N 3.2Å; R304-F308 VanDerWaalsContact O-N 3.17Å
305H92.3Very high92Very high91 Ų9167.3 Ų67.342%0.42135%0.349SS..Hα-helixtrans-53.1-44.9-177.1179.160.2000112.8C301 S307 F308 V309 D314C301-H305 WeakPolarHBondContact O-CA 3.42Å; C301-H305 WeakPolarHBondContact O-CB 3.39Å; C301-H305 PolarHBondContact O-N 2.96Å; C301-H305 VanDerWaalsContact O-N 3.16Å; H305-S307 VanDerWaalsContact C-N 3.3Å; H305-S307 PolarHBondContact O-N 2.89Å; H305-F308 PolarHBondContact O-N 2.96Å; H305-F308 VanDerWaalsContact O-N 3.12Å; H305-V309 WeakPolarHBondContact O-CG2 3.48Å; H305-V309 PolarHBondContact O-N 3.02Å; H305-D314 IonicContact CE1-OD1 3.9Å; H305-D314 PolarHBondContact CE1-OD1 2.95Å; H305-D314 IonicContact ND1-OD1 3.28Å; H305-D314 PolarHBondContact ND1-OD1 3.47Å
306Q93.5Very high92.5Very high167 Ų16765.9 Ų65.978%0.7833%0.334SS*.Hα-helixtrans-59.5-38.8177.9-73.2-175.7-11.400113R304 V309 Q310R304-Q306 VanDerWaalsContact C-N 3.3Å; R304-Q306 PolarHBondContact O-N 2.9Å; Q306-V309 PolarHBondContact O-N 3.41Å; Q306-Q310 WeakPolarHBondContact O-CB 3.49Å; Q306-Q310 PolarHBondContact O-N 2.94Å
307S92.4Very high92.7Very high25 Ų2563.8 Ų63.818%0.17532%0.324CS..Hα-helixtrans-64.9-41.3176.3-52.50000111.4R304 H305 Q310 D311R304-S307 WeakPolarHBondContact O-CB 3.36Å; R304-S307 PolarHBondContact O-N 3.41Å; H305-S307 VanDerWaalsContact C-N 3.3Å; H305-S307 PolarHBondContact O-N 2.89Å; S307-Q310 PolarHBondContact O-N 3.4Å; S307-D311 WeakPolarHBondContact O-CB 3.39Å; S307-D311 PolarHBondContact O-N 3.47Å
308F93.8Very high92.8Very high1 Ų166.6 Ų66.60%0.00434%0.339CS..Hα-helixtrans-67.6-34.8176.6-62.8-53.8000113.2W281 Y282 L285 R304 H305 K312 N313 D314 V317W281-F308 AromaticContact CD1-CE1 3.59Å; W281-F308 AromaticContact CD1-CZ 3.7Å; W281-F308 AromaticContact NE1-CE1 3.96Å; Y282-F308 HydrophobicContact CD1-CE1 4.13Å; Y282-F308 HydrophobicContact CD2-CE1 4.38Å; Y282-F308 AromaticContact CE1-CD1 3.94Å; Y282-F308 HydrophobicContact CE1-CD1 3.94Å; Y282-F308 AromaticContact CE1-CE1 3.7Å; Y282-F308 HydrophobicContact CE1-CE1 3.7Å; Y282-F308 HydrophobicContact CE2-CD1 4.28Å; Y282-F308 HydrophobicContact CE2-CE1 4.01Å; Y282-F308 HydrophobicContact CG-CE1 4.45Å; Y282-F308 AromaticContact CZ-CD1 3.64Å; Y282-F308 AromaticContact CZ-CE1 3.64Å; Y282-F308 WeakPolarHBondContact OH-CD1 3.43Å; L285-F308 HydrophobicContact CD1-CZ 4.03Å; R304-F308 HydrophobicContact CB-CD2 4.3Å; R304-F308 HydrophobicContact CB-CE2 3.8Å; R304-F308 HydrophobicContact CB-CZ 4.33Å; R304-F308 VanDerWaalsContact O-CD2 3.22Å; R304-F308 WeakPolarHBondContact O-CD2 3.24Å; R304-F308 PolarHBondContact O-N 3.2Å; R304-F308 VanDerWaalsContact O-N 3.17Å; H305-F308 PolarHBondContact O-N 2.96Å; H305-F308 VanDerWaalsContact O-N 3.12Å; F308-K312 PolarHBondContact O-N 3.04Å; F308-N313 PolarHBondContact O-N 3.23Å; F308-D314 PolarHBondContact O-N 3.35Å; F308-V317 HydrophobicContact CB-CG2 4.26Å; F308-V317 HydrophobicContact CD1-CG2 3.61Å; F308-V317 HydrophobicContact CD2-CG1 4.32Å; F308-V317 HydrophobicContact CD2-CG2 4.31Å; F308-V317 HydrophobicContact CE1-CG2 3.94Å; F308-V317 HydrophobicContact CE2-CG1 4.41Å; F308-V317 HydrophobicContact CG-CG2 3.81Å; F308-V317 HydrophobicContact CZ-CG2 4.44Å
309V94.5Very high93Very high74 Ų7467 Ų6745%0.44834%0.34SS..Hα-helixtrans-68.8-45.4174.6172.50000110.6H305 Q306 D311 K312 D314H305-V309 WeakPolarHBondContact O-CG2 3.48Å; H305-V309 PolarHBondContact O-N 3.02Å; Q306-V309 PolarHBondContact O-N 3.41Å; V309-D311 VanDerWaalsContact C-N 3.3Å; V309-D311 PolarHBondContact O-N 3.23Å; V309-K312 WeakPolarHBondContact O-CA 3.46Å; V309-K312 PolarHBondContact O-N 2.78Å; V309-D314 HydrophobicContact CG2-CB 4.04Å
310Q92.9Very high93Very high162 Ų16260.1 Ų60.176%0.75731%0.314SS*.Hα-helixtrans-59.3-42176.3-174.1178.56.200111.6Q306 S307 K312Q306-Q310 WeakPolarHBondContact O-CB 3.49Å; Q306-Q310 PolarHBondContact O-N 2.94Å; S307-Q310 PolarHBondContact O-N 3.4Å; Q310-K312 PolarHBondContact O-N 2.81Å
311D91.5Very high92.9Very high19 Ų1961.6 Ų61.610%0.10232%0.32CS..THydrogen-bonded Turntrans-74.1-0.5175.8-75.2-29.3000113.8H245 K248 Y282 S307 V309 N313H245-D311 IonicContact CE1-OD1 2.71Å; K248-D311 WeakPolarHBondContact CD-OD2 3.23Å; K248-D311 WeakPolarHBondContact CE-OD2 3.24Å; K248-D311 IonicContact NZ-OD1 3.56Å; K248-D311 PolarHBondContact NZ-OD1 2.91Å; K248-D311 IonicContact NZ-OD2 3.89Å; K248-D311 PolarHBondContact NZ-OD2 3.27Å; Y282-D311 WeakPolarHBondContact OH-CB 3.37Å; Y282-D311 PolarHBondContact OH-OD2 2.91Å; Y282-D311 VanDerWaalsContact OH-OD2 3.13Å; S307-D311 WeakPolarHBondContact O-CB 3.39Å; S307-D311 PolarHBondContact O-N 3.47Å; V309-D311 VanDerWaalsContact C-N 3.3Å; V309-D311 PolarHBondContact O-N 3.23Å; D311-N313 HydrophobicContact CB-CB 4.28Å; D311-N313 VanDerWaalsContact O-CG 3.32Å; D311-N313 PolarHBondContact O-N 2.9Å; D311-N313 PolarHBondContact O-OD1 2.95Å
312K93.3Very high92.6Very high185 Ų18568.5 Ų68.580%0.80435%0.349SS*.THydrogen-bonded Turntrans52.732.4-173.7-57.4-175.5-179.6177.20113.3F308 V309 Q310F308-K312 PolarHBondContact O-N 3.04Å; V309-K312 WeakPolarHBondContact O-CA 3.46Å; V309-K312 PolarHBondContact O-N 2.78Å; Q310-K312 PolarHBondContact O-N 2.81Å
313N94.5Very high92.5Very high1 Ų167.3 Ų67.31%0.00533%0.333CS..  trans-108.8-2.7-175.8-73.2-24.6000112.9K249 L252 Y282 F308 D311 G315 L316 V317K249-N313 VanDerWaalsContact CE-OD1 3.23Å; K249-N313 WeakPolarHBondContact CE-OD1 3.24Å; K249-N313 WeakPolarHBondContact CG-OD1 3.48Å; K249-N313 PolarHBondContact NZ-OD1 3.47Å; L252-N313 HydrophobicContact CD1-CB 4Å; Y282-N313 PolarHBondContact OH-ND2 3.14Å; F308-N313 PolarHBondContact O-N 3.23Å; D311-N313 HydrophobicContact CB-CB 4.28Å; D311-N313 VanDerWaalsContact O-CG 3.32Å; D311-N313 PolarHBondContact O-N 2.9Å; D311-N313 PolarHBondContact O-OD1 2.95Å; N313-G315 VanDerWaalsContact C-N 3.28Å; N313-G315 PolarHBondContact O-N 2.73Å; N313-L316 WeakPolarHBondContact O-CB 3.42Å; N313-L316 PolarHBondContact O-N 3.26Å; N313-V317 WeakPolarHBondContact O-CG2 3.27Å; N313-V317 PolarHBondContact O-N 3.13Å
314D92.9Very high92.2Very high39 Ų3963.7 Ų63.721%0.20931%0.308CS..Hα-helixtrans-52.6-42.5-177.1-175.672.2000113.3H305 F308 V309 L316 V317 N318H305-D314 IonicContact CE1-OD1 3.9Å; H305-D314 PolarHBondContact CE1-OD1 2.95Å; H305-D314 IonicContact ND1-OD1 3.28Å; H305-D314 PolarHBondContact ND1-OD1 3.47Å; F308-D314 PolarHBondContact O-N 3.35Å; V309-D314 HydrophobicContact CG2-CB 4.04Å; D314-L316 VanDerWaalsContact C-N 3.3Å; D314-L316 PolarHBondContact O-N 3.46Å; D314-V317 PolarHBondContact O-N 3.31Å; D314-N318 WeakPolarHBondContact O-CB 3.47Å; D314-N318 PolarHBondContact O-N 3.28Å; D314-N318 PolarHBondContact O-ND2 3.4Å; D314-N318 PolarHBondContact OD2-ND2 2.87Å
315G92.7Very high91.9Very high43 Ų4358.5 Ų58.544%0.44329%0.29SS..Hα-helixtrans-62.6-33176.700000114.1N313 Q319N313-G315 VanDerWaalsContact C-N 3.28Å; N313-G315 PolarHBondContact O-N 2.73Å; G315-Q319 WeakPolarHBondContact O-CG 3.45Å; G315-Q319 PolarHBondContact O-N 3.5Å; G315-Q319 PolarHBondContact O-NE2 2.96Å
316L94.3Very high91.7Very high21 Ų2155.2 Ų55.211%0.1127%0.274CS..Hα-helixtrans-76.9-40.9175-75.1169.8000111M221 K249 L252 L256 N313 D314 N318 Q319 V320M221-L316 HydrophobicContact CE-CD2 4.37Å; K249-L316 HydrophobicContact CG-CD1 4.2Å; L252-L316 HydrophobicContact CB-CB 4.37Å; L252-L316 HydrophobicContact CD1-CB 3.66Å; L252-L316 HydrophobicContact CD1-CD1 4.33Å; L256-L316 HydrophobicContact CD1-CD2 4.16Å; N313-L316 WeakPolarHBondContact O-CB 3.42Å; N313-L316 PolarHBondContact O-N 3.26Å; D314-L316 VanDerWaalsContact C-N 3.3Å; D314-L316 PolarHBondContact O-N 3.46Å; L316-N318 VanDerWaalsContact C-N 3.3Å; L316-N318 PolarHBondContact O-N 2.75Å; L316-Q319 WeakPolarHBondContact O-CA 3.41Å; L316-Q319 WeakPolarHBondContact O-CB 3.34Å; L316-Q319 PolarHBondContact O-N 2.69Å; L316-V320 WeakPolarHBondContact O-CG2 3.28Å; L316-V320 PolarHBondContact O-N 2.93Å
317V94.8Very high91.3Very high2 Ų251.2 Ų51.21%0.01225%0.254CS..Hα-helixtrans-59.4-42.9175.6174.50000110.9L252 L285 C301 F308 N313 D314 Q319 V320 K321L252-V317 HydrophobicContact CD1-CG2 3.88Å; L252-V317 HydrophobicContact CD2-CG2 3.96Å; L285-V317 HydrophobicContact CD1-CG1 4.19Å; C301-V317 HydrophobicContact CB-CG1 4.35Å; C301-V317 VanDerWaalsContact SG-CG1 3.53Å; F308-V317 HydrophobicContact CB-CG2 4.26Å; F308-V317 HydrophobicContact CD1-CG2 3.61Å; F308-V317 HydrophobicContact CD2-CG1 4.32Å; F308-V317 HydrophobicContact CD2-CG2 4.31Å; F308-V317 HydrophobicContact CE1-CG2 3.94Å; F308-V317 HydrophobicContact CE2-CG1 4.41Å; F308-V317 HydrophobicContact CG-CG2 3.81Å; F308-V317 HydrophobicContact CZ-CG2 4.44Å; N313-V317 WeakPolarHBondContact O-CG2 3.27Å; N313-V317 PolarHBondContact O-N 3.13Å; D314-V317 PolarHBondContact O-N 3.31Å; V317-Q319 VanDerWaalsContact C-N 3.28Å; V317-Q319 PolarHBondContact O-N 3.03Å; V317-V320 WeakPolarHBondContact O-CB 3.19Å; V317-V320 PolarHBondContact O-N 3.24Å; V317-V320 VanDerWaalsContact O-N 3.14Å; V317-K321 PolarHBondContact O-N 3.22Å
318N92.2Very high91Very high59 Ų5952.2 Ų52.232%0.31626%0.256SS..Hα-helixtrans-64.8-31.9175.3-73.9-35.7000112.8D314 L316 K322D314-N318 WeakPolarHBondContact O-CB 3.47Å; D314-N318 PolarHBondContact O-N 3.28Å; D314-N318 PolarHBondContact O-ND2 3.4Å; D314-N318 PolarHBondContact OD2-ND2 2.87Å; L316-N318 VanDerWaalsContact C-N 3.3Å; L316-N318 PolarHBondContact O-N 2.75Å; N318-K322 WeakPolarHBondContact O-CG 3.35Å; N318-K322 PolarHBondContact O-N 3.47Å
319Q92.9Very high90.7Very high54 Ų5452.2 Ų52.225%0.25226%0.256SS..Hα-helixtrans-68.4-41.8171.2-74.3167.172.500111.5K219 L256 G315 L316 V317 K321 K322 Y323K219-Q319 VanDerWaalsContact NZ-CD 3.28Å; K219-Q319 VanDerWaalsContact NZ-NE2 3.19Å; L256-Q319 HydrophobicContact CD1-CB 4.25Å; L256-Q319 HydrophobicContact CD2-CB 4.04Å; G315-Q319 WeakPolarHBondContact O-CG 3.45Å; G315-Q319 PolarHBondContact O-N 3.5Å; G315-Q319 PolarHBondContact O-NE2 2.96Å; L316-Q319 WeakPolarHBondContact O-CA 3.41Å; L316-Q319 WeakPolarHBondContact O-CB 3.34Å; L316-Q319 PolarHBondContact O-N 2.69Å; V317-Q319 VanDerWaalsContact C-N 3.28Å; V317-Q319 PolarHBondContact O-N 3.03Å; Q319-K321 VanDerWaalsContact C-N 3.34Å; Q319-K321 PolarHBondContact O-N 3.15Å; Q319-K322 PolarHBondContact O-N 3.09Å; Q319-Y323 WeakPolarHBondContact O-CB 3.46Å; Q319-Y323 PolarHBondContact O-N 3.24Å
320V93.2Very high90.4Very high1 Ų151.4 Ų51.41%0.00625%0.249CC..Hα-helixtrans-59.8-44.6176.7172.50000110.8L252 L255 L256 L285 Y289 L316 V317 K322 Y323 C324L252-V320 HydrophobicContact CB-CG2 4.37Å; L252-V320 HydrophobicContact CD2-CG2 4.02Å; L255-V320 HydrophobicContact CB-CG1 4.26Å; L255-V320 HydrophobicContact CB-CG2 4.29Å; L255-V320 HydrophobicContact CD1-CG1 3.9Å; L256-V320 HydrophobicContact CD1-CG2 4.35Å; L256-V320 HydrophobicContact CD2-CB 4.5Å; L256-V320 HydrophobicContact CD2-CG2 3.91Å; L256-V320 HydrophobicContact CG-CG2 3.85Å; L285-V320 HydrophobicContact CD2-CG1 3.92Å; Y289-V320 HydrophobicContact CD2-CG1 3.55Å; Y289-V320 HydrophobicContact CE2-CG1 3.79Å; L316-V320 WeakPolarHBondContact O-CG2 3.28Å; L316-V320 PolarHBondContact O-N 2.93Å; V317-V320 WeakPolarHBondContact O-CB 3.19Å; V317-V320 PolarHBondContact O-N 3.24Å; V317-V320 VanDerWaalsContact O-N 3.14Å; V320-K322 PolarHBondContact O-N 3.33Å; V320-Y323 PolarHBondContact O-N 3.2Å; V320-C324 WeakPolarHBondContact O-CB 3.32Å; V320-C324 PolarHBondContact O-N 3.18Å
321K89.1Confident90.1Very high43 Ų4346.1 Ų46.119%0.18723%0.233CC..Hα-helixtrans-53.5-52.5173.6-74.6-177.3177-173.50112.5L297 C301 V317 Q319 Y323 C324 A325L297-K321 HydrophobicContact CD2-CB 4.42Å; L297-K321 HydrophobicContact CD2-CG 3.59Å; C301-K321 HydrophobicContact CB-CD 4.45Å; C301-K321 WeakPolarHBondContact SG-CE 3.28Å; V317-K321 PolarHBondContact O-N 3.22Å; Q319-K321 VanDerWaalsContact C-N 3.34Å; Q319-K321 PolarHBondContact O-N 3.15Å; K321-Y323 VanDerWaalsContact C-N 3.33Å; K321-Y323 PolarHBondContact O-N 3.03Å; K321-C324 WeakPolarHBondContact O-CB 3.48Å; K321-C324 PolarHBondContact O-N 3.3Å; K321-A325 PolarHBondContact O-N 3.21Å
322K87.6Confident90Very high150 Ų15045.8 Ų45.865%0.65223%0.231SC*.Hα-helixtrans-61.1-43.3179.6-71.5178.3179.4-174.50111.4N318 Q319 V320 C324 A325 K326N318-K322 WeakPolarHBondContact O-CG 3.35Å; N318-K322 PolarHBondContact O-N 3.47Å; Q319-K322 PolarHBondContact O-N 3.09Å; V320-K322 PolarHBondContact O-N 3.33Å; K322-C324 VanDerWaalsContact C-N 3.33Å; K322-C324 PolarHBondContact O-N 3.33Å; K322-A325 PolarHBondContact O-N 2.92Å; K322-K326 WeakPolarHBondContact O-CG 3.46Å; K322-K326 PolarHBondContact O-N 2.84Å
323Y88.9Confident89.7Confident80 Ų8037.7 Ų37.731%0.31420%0.198SC..Hα-helixtrans-69.3-30.7-179.5-158.3-106.4000112.5L256 Y289 Q319 V320 K321 K326 K327L256-Y323 HydrophobicContact CD2-CG 4.21Å; L256-Y323 WeakPolarHBondContact O-CE1 3.34Å; Y289-Y323 WeakPolarHBondContact OH-CD1 3.35Å; Y289-Y323 PolarHBondContact OH-O 3.39Å; Q319-Y323 WeakPolarHBondContact O-CB 3.46Å; Q319-Y323 PolarHBondContact O-N 3.24Å; V320-Y323 PolarHBondContact O-N 3.2Å; K321-Y323 VanDerWaalsContact C-N 3.33Å; K321-Y323 PolarHBondContact O-N 3.03Å; Y323-K326 HydrophobicContact CD2-CD 4.28Å; Y323-K326 PolarHBondContact O-N 3.04Å; Y323-K327 WeakPolarHBondContact O-CB 3.17Å; Y323-K327 PolarHBondContact O-N 2.83Å
324C87.5Confident89.4Confident7 Ų745.2 Ų45.25%0.04723%0.231CC..Hα-helixtrans-59.5-48.3173.3-1660000111.5Y289 L297 V320 K321 K322 K326 K327 H328Y289-C324 HydrophobicContact CD2-CB 3.72Å; Y289-C324 VanDerWaalsContact CE2-CA 3.42Å; Y289-C324 HydrophobicContact CE2-CB 3.34Å; L297-C324 HydrophobicContact CD1-CB 4.45Å; V320-C324 WeakPolarHBondContact O-CB 3.32Å; V320-C324 PolarHBondContact O-N 3.18Å; K321-C324 WeakPolarHBondContact O-CB 3.48Å; K321-C324 PolarHBondContact O-N 3.3Å; K322-C324 VanDerWaalsContact C-N 3.33Å; K322-C324 PolarHBondContact O-N 3.33Å; C324-K326 VanDerWaalsContact C-N 3.35Å; C324-K326 PolarHBondContact O-N 2.92Å; C324-K327 PolarHBondContact O-N 3.07Å; C324-H328 PolarHBondContact O-N 2.9Å
325A85.2Confident89.3Confident5 Ų548.7 Ų48.74%0.04125%0.253CS..Hα-helixtrans-60.7-45.2177.300000111.1K321 K322 K327 H328 I329 L359K321-A325 PolarHBondContact O-N 3.21Å; K322-A325 PolarHBondContact O-N 2.92Å; A325-K327 PolarHBondContact O-N 2.94Å; A325-H328 PolarHBondContact O-N 3Å; A325-I329 WeakPolarHBondContact O-CG1 3.21Å; A325-I329 PolarHBondContact O-N 3.29Å; A325-L359 HydrophobicContact CB-CD2 3.77Å
326K88.1Confident89.1Confident21 Ų2151.2 Ų51.29%0.09125%0.25CC..Hα-helixtrans-57.3-45.7174.8-67.9-175.2162.1-1490112.7K322 Y323 C324 H328 I329 L330 L359 M363 E368K322-K326 WeakPolarHBondContact O-CG 3.46Å; K322-K326 PolarHBondContact O-N 2.84Å; Y323-K326 HydrophobicContact CD2-CD 4.28Å; Y323-K326 PolarHBondContact O-N 3.04Å; C324-K326 VanDerWaalsContact C-N 3.35Å; C324-K326 PolarHBondContact O-N 2.92Å; K326-H328 VanDerWaalsContact C-N 3.29Å; K326-H328 PolarHBondContact O-N 2.82Å; K326-I329 PolarHBondContact O-N 3.42Å; K326-L330 WeakPolarHBondContact O-CG 3.48Å; K326-L330 PolarHBondContact O-N 3.37Å; K326-L359 HydrophobicContact CG-CD1 4.03Å; K326-M363 HydrophobicContact CB-CE 3.94Å; K326-M363 HydrophobicContact CB-SD 3.95Å; K326-M363 HydrophobicContact CD-CG 4.13Å; K326-M363 HydrophobicContact CG-CE 4.28Å; K326-M363 HydrophobicContact CG-CG 3.93Å; K326-M363 HydrophobicContact CG-SD 3.73Å; K326-E368 WeakPolarHBondContact CD-OE2 3.46Å; K326-E368 VanDerWaalsContact NZ-CD 3.26Å; K326-E368 IonicContact NZ-OE1 3.07Å; K326-E368 PolarHBondContact NZ-OE1 2.89Å; K326-E368 IonicContact NZ-OE2 2.78Å; K326-E368 PolarHBondContact NZ-OE2 3.28Å
327K85.4Confident88.9Confident83 Ų8353.7 Ų53.736%0.36127%0.273SS..Hα-helixtrans-61.2-38.6178.1-175.3-175.6174-164.40111.6G259 Y289 Y323 C324 A325 L330 A331G259-K327 PolarHBondContact O-NZ 2.78Å; Y289-K327 HydrophobicContact CE1-CD 3.72Å; Y323-K327 WeakPolarHBondContact O-CB 3.17Å; Y323-K327 PolarHBondContact O-N 2.83Å; C324-K327 PolarHBondContact O-N 3.07Å; A325-K327 PolarHBondContact O-N 2.94Å; K327-L330 PolarHBondContact O-N 3.5Å; K327-A331 PolarHBondContact O-N 2.92Å
328H85.2Confident88.7Confident47 Ų4757.5 Ų57.522%0.21830%0.296CS..Hα-helixtrans-67-44.5176.6-162.388.2000111.5C324 A325 K326 L330 A331 L332C324-H328 PolarHBondContact O-N 2.9Å; A325-H328 PolarHBondContact O-N 3Å; K326-H328 VanDerWaalsContact C-N 3.29Å; K326-H328 PolarHBondContact O-N 2.82Å; H328-L330 VanDerWaalsContact C-N 3.27Å; H328-L330 PolarHBondContact O-N 3.39Å; H328-A331 WeakPolarHBondContact O-CA 3.42Å; H328-A331 WeakPolarHBondContact O-CB 3.26Å; H328-A331 PolarHBondContact O-N 2.88Å; H328-L332 WeakPolarHBondContact O-CG 3.43Å; H328-L332 PolarHBondContact O-N 3.19Å
329I88.6Confident88.7Confident0 Ų055.4 Ų55.40%028%0.284CS..Hα-helixtrans-56.4-43.6173.3-65.9173.8000110.9A325 K326 A331 L332 S333 L344 C348 L359 L360 M363 F382A325-I329 WeakPolarHBondContact O-CG1 3.21Å; A325-I329 PolarHBondContact O-N 3.29Å; K326-I329 PolarHBondContact O-N 3.42Å; I329-A331 VanDerWaalsContact C-N 3.28Å; I329-A331 PolarHBondContact O-N 3.3Å; I329-L332 PolarHBondContact O-N 3.43Å; I329-S333 PolarHBondContact O-N 3.25Å; I329-L344 HydrophobicContact CG1-CD1 4.2Å; I329-C348 VanDerWaalsContact CG1-SG 3.57Å; I329-L359 HydrophobicContact CD1-CD2 3.58Å; I329-L359 HydrophobicContact CD1-CG 3.92Å; I329-L360 HydrophobicContact CG2-CD2 3.77Å; I329-M363 HydrophobicContact CB-CE 4.25Å; I329-M363 HydrophobicContact CB-SD 4.15Å; I329-M363 HydrophobicContact CD1-SD 3.85Å; I329-M363 HydrophobicContact CG2-CE 4.12Å; I329-M363 HydrophobicContact CG2-SD 4.07Å; I329-F382 HydrophobicContact CG2-CE1 4.21Å
330L87.9Confident88.7Confident57 Ų5754.8 Ų54.830%0.29829%0.286SS..Hα-helixtrans-65.1-27.9175.2-74.1175.2000113.8K326 K327 H328 S333 K334 M363 E368 V369K326-L330 WeakPolarHBondContact O-CG 3.48Å; K326-L330 PolarHBondContact O-N 3.37Å; K327-L330 PolarHBondContact O-N 3.5Å; H328-L330 VanDerWaalsContact C-N 3.27Å; H328-L330 PolarHBondContact O-N 3.39Å; L330-S333 PolarHBondContact O-OG 3.28Å; L330-K334 WeakPolarHBondContact O-CG 3.42Å; L330-M363 HydrophobicContact CD1-CE 4.43Å; L330-M363 HydrophobicContact CD2-CE 4.14Å; L330-M363 HydrophobicContact CG-CE 3.84Å; L330-E368 WeakPolarHBondContact CD2-O 3.23Å; L330-V369 HydrophobicContact CD2-CB 4.21Å; L330-V369 HydrophobicContact CD2-CG2 4.25Å
331A86.9Confident88.7Confident51 Ų5155.1 Ų55.142%0.42129%0.288SS..Hα-helixtrans-74.9-41.5172.900000110.8K327 H328 I329 K334K327-A331 PolarHBondContact O-N 2.92Å; H328-A331 WeakPolarHBondContact O-CA 3.42Å; H328-A331 WeakPolarHBondContact O-CB 3.26Å; H328-A331 PolarHBondContact O-N 2.88Å; I329-A331 VanDerWaalsContact C-N 3.28Å; I329-A331 PolarHBondContact O-N 3.3Å; A331-K334 WeakPolarHBondContact O-CB 3.45Å; A331-K334 PolarHBondContact O-N 2.96Å
332L88.3Confident88.9Confident13 Ų1357.1 Ų57.17%0.06830%0.304CS..Hα-helixtrans-65.4-37.9176.9-64.4175.3000112H328 I329 K334 V335 Y336 M339 L344 H347H328-L332 WeakPolarHBondContact O-CG 3.43Å; H328-L332 PolarHBondContact O-N 3.19Å; I329-L332 PolarHBondContact O-N 3.43Å; L332-K334 PolarHBondContact O-N 3.23Å; L332-K334 VanDerWaalsContact O-N 3.13Å; L332-V335 PolarHBondContact O-N 3.47Å; L332-Y336 HydrophobicContact CB-CD2 4.27Å; L332-Y336 HydrophobicContact CD2-CD2 4.11Å; L332-Y336 HydrophobicContact CD2-CE2 3.78Å; L332-Y336 WeakPolarHBondContact O-CD2 3.48Å; L332-Y336 PolarHBondContact O-N 3.02Å; L332-M339 HydrophobicContact CB-CE 4.42Å; L332-M339 HydrophobicContact CD1-CE 4.33Å; L332-M339 HydrophobicContact CD1-SD 4.13Å; L332-M339 HydrophobicContact CD2-CE 4.23Å; L332-L344 HydrophobicContact CD1-CD1 3.63Å; L332-H347 HydrophobicContact CD1-CB 3.82Å
333S88.6Confident89Confident15 Ų1551 Ų5111%0.10528%0.281CS..Hα-helixtrans-64.6-15.7176.273.40000113.9I329 L330 Q384I329-S333 PolarHBondContact O-N 3.25Å; L330-S333 PolarHBondContact O-OG 3.28Å; S333-Q384 PolarHBondContact O-NE2 3.47Å; S333-Q384 VanDerWaalsContact O-NE2 3.11Å
334K87.6Confident89.1Confident159 Ų15947.2 Ų47.269%0.69127%0.266SS*.Hα-helixtrans-82.9-25.3172.7-68175.7-177.3-176.30113.5L330 A331 L332L330-K334 WeakPolarHBondContact O-CG 3.42Å; A331-K334 WeakPolarHBondContact O-CB 3.45Å; A331-K334 PolarHBondContact O-N 2.96Å; L332-K334 PolarHBondContact O-N 3.23Å; L332-K334 VanDerWaalsContact O-N 3.13Å
335V90.1Very high89.2Confident111 Ų11147.1 Ų47.167%0.67327%0.266SS*.Hα-helixtrans-102.1-35.9-174.3-177.30000111.2L332L332-V335 PolarHBondContact O-N 3.47Å
336Y88.4Confident89.4Confident97 Ų9753.8 Ų53.838%0.3830%0.297SS..  trans-113128.8-173.3-60.8-82.4000111.2L332 M339 F382L332-Y336 HydrophobicContact CB-CD2 4.27Å; L332-Y336 HydrophobicContact CD2-CD2 4.11Å; L332-Y336 HydrophobicContact CD2-CE2 3.78Å; L332-Y336 WeakPolarHBondContact O-CD2 3.48Å; L332-Y336 PolarHBondContact O-N 3.02Å; Y336-M339 HydrophobicContact CD1-CE 3.99Å; Y336-M339 HydrophobicContact CD2-CE 3.21Å; Y336-M339 HydrophobicContact CE1-CE 4.19Å; Y336-M339 HydrophobicContact CE2-CE 3.46Å; Y336-M339 VanDerWaalsContact CE2-CE 3.46Å; Y336-M339 HydrophobicContact CG-CE 3.5Å; Y336-F382 VanDerWaalsContact O-CD2 3.29Å; Y336-F382 WeakPolarHBondContact O-CD2 3.2Å
337A89.6Confident89.2Confident72 Ų7256.9 Ų56.960%0.59531%0.311SS*.SBendtrans-78.3-38.1169.200000111.7S381 F382A337-S381 CarbonylContact O-C 3.56Å; A337-S381 VanDerWaalsContact O-CA 3.32Å; A337-S381 WeakPolarHBondContact O-CA 3.47Å; A337-F382 PolarHBondContact O-N 3.34Å
338V92.3Very high89.1Confident83 Ų8353 Ų5350%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-137136.8179.2-177.80000109.3T379 V380V338-T379 HydrophobicContact CG1-CG2 3.54Å; V338-V380 CarbonylContact C-O 3.54Å; V338-V380 VanDerWaalsContact CA-O 3.29Å; V338-V380 WeakPolarHBondContact CA-O 3.47Å
339M91.9Very high88.9Confident14 Ų1455 Ų557%0.06930%0.304CS..EExtended strand (participates in β ladder)trans-147.9144.1-179.4177.2177.3-77.800111.3L332 Y336 A343 L344 T379 V380 F382L332-M339 HydrophobicContact CB-CE 4.42Å; L332-M339 HydrophobicContact CD1-CE 4.33Å; L332-M339 HydrophobicContact CD1-SD 4.13Å; L332-M339 HydrophobicContact CD2-CE 4.23Å; Y336-M339 HydrophobicContact CD1-CE 3.99Å; Y336-M339 HydrophobicContact CD2-CE 3.21Å; Y336-M339 HydrophobicContact CE1-CE 4.19Å; Y336-M339 HydrophobicContact CE2-CE 3.46Å; Y336-M339 VanDerWaalsContact CE2-CE 3.46Å; Y336-M339 HydrophobicContact CG-CE 3.5Å; M339-A343 HydrophobicContact CG-CB 4.25Å; M339-L344 HydrophobicContact CG-CB 4.47Å; M339-L344 HydrophobicContact SD-CB 3.96Å; M339-L344 HydrophobicContact SD-CD1 3.78Å; M339-T379 VanDerWaalsContact O-CG2 3.29Å; M339-T379 WeakPolarHBondContact O-CG2 3.45Å; M339-V380 HydrophobicContact CB-CG1 4.38Å; M339-V380 PolarHBondContact N-O 3.08Å; M339-V380 PolarHBondContact O-N 3.12Å; M339-F382 HydrophobicContact CB-CE2 4.15Å
340S93.3Very high88.6Confident42 Ų4256.4 Ų56.429%0.29431%0.311SS..EExtended strand (participates in β ladder)trans-71.1147.2173.667.60000112.2T342 A343 L344 G378S340-T342 PolarHBondContact O-N 2.93Å; S340-T342 PolarHBondContact OG-OG1 3.17Å; S340-A343 PolarHBondContact O-N 3.39Å; S340-A343 WeakPolarHBondContact OG-CB 3.47Å; S340-A343 PolarHBondContact OG-N 2.79Å; S340-L344 WeakPolarHBondContact O-CB 3.48Å; S340-L344 PolarHBondContact O-N 2.82Å; S340-G378 WeakPolarHBondContact CA-O 3.41Å
341L92Very high88.5Confident8 Ų858.2 Ų58.24%0.04233%0.327CS..Hα-helixtrans-63.9-29.6177.6-70.4170.7000112.4A345 A353 E357 L360 I373 G378 V380L341-A345 WeakPolarHBondContact O-CB 3.25Å; L341-A345 PolarHBondContact O-N 3.38Å; L341-A353 HydrophobicContact CB-CB 3.98Å; L341-E357 HydrophobicContact CD1-CB 4.42Å; L341-E357 HydrophobicContact CD2-CB 4.44Å; L341-L360 HydrophobicContact CD2-CD1 3.77Å; L341-I373 HydrophobicContact CD1-CG2 4.36Å; L341-G378 PolarHBondContact N-O 2.91Å; L341-V380 HydrophobicContact CD2-CB 4.4Å
342T92.7Very high88.6Confident84 Ų8459 Ų5952%0.51532%0.324SS..Hα-helixtrans-68.2-48.2174.448.10000111.7S340 L344 A345 E346 A353S340-T342 PolarHBondContact O-N 2.93Å; S340-T342 PolarHBondContact OG-OG1 3.17Å; T342-L344 VanDerWaalsContact C-N 3.28Å; T342-L344 PolarHBondContact O-N 3.48Å; T342-A345 WeakPolarHBondContact O-CB 3.16Å; T342-A345 PolarHBondContact O-N 2.69Å; T342-E346 WeakPolarHBondContact O-CG 3.48Å; T342-E346 PolarHBondContact O-N 3.34Å; T342-A353 HydrophobicContact CG2-CB 4.19Å
343A90.7Very high88.7Confident22 Ų2259.9 Ų59.918%0.18233%0.333CS..Hα-helixtrans-62.9-38.4176.100000111M339 S340 E346 H347M339-A343 HydrophobicContact CG-CB 4.25Å; S340-A343 PolarHBondContact O-N 3.39Å; S340-A343 WeakPolarHBondContact OG-CB 3.47Å; S340-A343 PolarHBondContact OG-N 2.79Å; A343-E346 PolarHBondContact O-N 3.41Å; A343-H347 PolarHBondContact O-N 2.93Å; A343-H347 PolarHBondContact O-ND1 2.72Å
344L90.5Very high88.8Confident0 Ų064 Ų640%035%0.351CS..Hα-helixtrans-61.2-44.3175-174.169.1000111.9I329 L332 M339 S340 T342 H347 C348 A356 L360 F382I329-L344 HydrophobicContact CG1-CD1 4.2Å; L332-L344 HydrophobicContact CD1-CD1 3.63Å; M339-L344 HydrophobicContact CG-CB 4.47Å; M339-L344 HydrophobicContact SD-CB 3.96Å; M339-L344 HydrophobicContact SD-CD1 3.78Å; S340-L344 WeakPolarHBondContact O-CB 3.48Å; S340-L344 PolarHBondContact O-N 2.82Å; T342-L344 VanDerWaalsContact C-N 3.28Å; T342-L344 PolarHBondContact O-N 3.48Å; L344-H347 PolarHBondContact O-N 3.46Å; L344-C348 WeakPolarHBondContact O-CB 3.36Å; L344-C348 PolarHBondContact O-N 2.81Å; L344-C348 PolarHBondContact O-SG 3.45Å; L344-C348 VanDerWaalsContact O-SG 3.33Å; L344-A356 HydrophobicContact CD2-CB 4.17Å; L344-A356 HydrophobicContact CG-CB 4.44Å; L344-L360 HydrophobicContact CD2-CD1 3.35Å; L344-L360 HydrophobicContact CD2-CD2 4.29Å; L344-L360 HydrophobicContact CD2-CG 3.86Å; L344-F382 HydrophobicContact CD1-CZ 4.45Å
345A90.5Very high88.9Confident5 Ų560.6 Ų60.64%0.04134%0.337CS..Hα-helixtrans-61.7-44176.500000111.3L341 T342 C348 Q349 L350 A356L341-A345 WeakPolarHBondContact O-CB 3.25Å; L341-A345 PolarHBondContact O-N 3.38Å; T342-A345 WeakPolarHBondContact O-CB 3.16Å; T342-A345 PolarHBondContact O-N 2.69Å; A345-C348 CarbonylContact O-C 3.19Å; A345-C348 PolarHBondContact O-N 3.35Å; A345-Q349 CarbonylContact O-C 3.53Å; A345-Q349 WeakPolarHBondContact O-CA 3.37Å; A345-Q349 PolarHBondContact O-N 2.98Å; A345-L350 HydrophobicContact CB-CB 4.24Å; A345-L350 PolarHBondContact O-N 3.28Å; A345-A356 HydrophobicContact CB-CB 4.08Å
346E89.1Confident88.9Confident146 Ų14655.3 Ų55.368%0.68231%0.305SS*.Hα-helixtrans-61.6-47.3177.1-73172.8-178.100112.3T342 A343 C348 Q349T342-E346 WeakPolarHBondContact O-CG 3.48Å; T342-E346 PolarHBondContact O-N 3.34Å; A343-E346 PolarHBondContact O-N 3.41Å; E346-C348 VanDerWaalsContact C-N 3.33Å; E346-C348 PolarHBondContact O-N 3.21Å; E346-Q349 PolarHBondContact O-N 3.42Å; E346-Q349 VanDerWaalsContact O-N 3.11Å
347H83.6Confident89Confident85 Ų8552.8 Ų52.839%0.39430%0.297SS..Hα-helixtrans-64.4-37.9179.4-76.475.5000112.4L332 A343 L344 Q349L332-H347 HydrophobicContact CD1-CB 3.82Å; A343-H347 PolarHBondContact O-N 2.93Å; A343-H347 PolarHBondContact O-ND1 2.72Å; L344-H347 PolarHBondContact O-N 3.46Å; H347-Q349 VanDerWaalsContact C-N 3.28Å
348C82.5Confident89.1Confident3 Ų356.8 Ų56.82%0.0230%0.296CS..THydrogen-bonded Turntrans-86.51.8177.2-58.60000113.2I329 L344 A345 E346 L350I329-C348 VanDerWaalsContact CG1-SG 3.57Å; L344-C348 WeakPolarHBondContact O-CB 3.36Å; L344-C348 PolarHBondContact O-N 2.81Å; L344-C348 PolarHBondContact O-SG 3.45Å; L344-C348 VanDerWaalsContact O-SG 3.33Å; A345-C348 CarbonylContact O-C 3.19Å; A345-C348 PolarHBondContact O-N 3.35Å; E346-C348 VanDerWaalsContact C-N 3.33Å; E346-C348 PolarHBondContact O-N 3.21Å; C348-L350 HydrophobicContact CB-CD1 3.98Å; C348-L350 HydrophobicContact CB-CG 3.9Å; C348-L350 PolarHBondContact O-N 3.29Å
349Q81.1Confident89Confident89 Ų8954 Ų5442%0.41628%0.279SS..THydrogen-bonded Turntrans4940.2-174.1-62.6179.611.700113.2F294 A345 E346 H347F294-Q349 VanDerWaalsContact C-OE1 3.27Å; F294-Q349 HydrophobicContact CB-CB 4.29Å; F294-Q349 HydrophobicContact CB-CG 4.37Å; F294-Q349 HydrophobicContact CD1-CB 3.49Å; F294-Q349 VanDerWaalsContact CD1-CB 3.49Å; F294-Q349 HydrophobicContact CD1-CG 4.39Å; F294-Q349 HydrophobicContact CE1-CB 4.14Å; F294-Q349 HydrophobicContact CG-CB 4.25Å; A345-Q349 CarbonylContact O-C 3.53Å; A345-Q349 WeakPolarHBondContact O-CA 3.37Å; A345-Q349 PolarHBondContact O-N 2.98Å; E346-Q349 PolarHBondContact O-N 3.42Å; E346-Q349 VanDerWaalsContact O-N 3.11Å; H347-Q349 VanDerWaalsContact C-N 3.28Å
350L83.2Confident89Confident28 Ų2853.4 Ų53.415%0.14728%0.276CS..  trans-84.6145.3171.2-63.4172.6000109.1A345 C348 N352 A356 L359A345-L350 HydrophobicContact CB-CB 4.24Å; A345-L350 PolarHBondContact O-N 3.28Å; C348-L350 HydrophobicContact CB-CD1 3.98Å; C348-L350 HydrophobicContact CB-CG 3.9Å; C348-L350 PolarHBondContact O-N 3.29Å; L350-N352 VanDerWaalsContact C-N 3.28Å; L350-N352 PolarHBondContact O-N 3.24Å; L350-A356 HydrophobicContact CD1-CB 3.92Å; L350-L359 HydrophobicContact CD1-CD2 4.13Å
351P85.1Confident88.9Confident96 Ų9657.8 Ų57.862%0.62329%0.29SS*.SBendtrans-67.1-25.6-17325.2-34.6000113.9Q355P351-Q355 HydrophobicContact CG-CG 4.3Å; P351-Q355 VanDerWaalsContact CG-NE2 3.29Å
352N89.9Confident88.8Confident67 Ų6761.6 Ų61.636%0.35831%0.31SS..SBendtrans-155.2163.5179.55927.6000112.5L350 E354 Q355 A356L350-N352 VanDerWaalsContact C-N 3.28Å; L350-N352 PolarHBondContact O-N 3.24Å; N352-E354 PolarHBondContact O-N 3.13Å; N352-E354 PolarHBondContact OD1-N 3.45Å; N352-Q355 PolarHBondContact O-N 3.1Å; N352-Q355 VanDerWaalsContact OD1-CB 3.32Å; N352-Q355 WeakPolarHBondContact OD1-CB 3.44Å; N352-Q355 WeakPolarHBondContact OD1-CG 3.31Å; N352-Q355 PolarHBondContact OD1-N 2.9Å; N352-A356 PolarHBondContact O-N 2.91Å
353A90Very high88.7Confident32 Ų3257.6 Ų57.626%0.26429%0.286SS..Hα-helixtrans-58.9-31.9175.300000112.4L341 T342 A356 E357L341-A353 HydrophobicContact CB-CB 3.98Å; T342-A353 HydrophobicContact CG2-CB 4.19Å; A353-A356 WeakPolarHBondContact O-CB 3.13Å; A353-A356 PolarHBondContact O-N 3.14Å; A353-E357 PolarHBondContact O-N 2.85Å
354E90.9Very high88.7Confident101 Ų10158.4 Ų58.447%0.47229%0.292SS..Hα-helixtrans-66-39.7179.8-160.4-171.1165.700112.3N352 A356 E357 R358N352-E354 PolarHBondContact O-N 3.13Å; N352-E354 PolarHBondContact OD1-N 3.45Å; E354-A356 VanDerWaalsContact C-N 3.34Å; E354-E357 PolarHBondContact O-N 3.18Å; E354-R358 WeakPolarHBondContact O-CG 3.48Å; E354-R358 PolarHBondContact O-N 3.13Å; E354-R358 IonicContact OE1-CZ 3.94Å; E354-R358 IonicContact OE1-NE 2.95Å; E354-R358 IonicContact OE1-NH2 2.75Å; E354-R358 PolarHBondContact OE1-NH2 3.44Å
355Q88.7Confident88.6Confident87 Ų8762 Ų6241%0.40732%0.322SS..Hα-helixtrans-68.9-34.9173.6-81-170.623.500111.9P351 N352 E357 R358 L359P351-Q355 HydrophobicContact CG-CG 4.3Å; P351-Q355 VanDerWaalsContact CG-NE2 3.29Å; N352-Q355 PolarHBondContact O-N 3.1Å; N352-Q355 VanDerWaalsContact OD1-CB 3.32Å; N352-Q355 WeakPolarHBondContact OD1-CB 3.44Å; N352-Q355 WeakPolarHBondContact OD1-CG 3.31Å; N352-Q355 PolarHBondContact OD1-N 2.9Å; Q355-E357 VanDerWaalsContact C-N 3.34Å; Q355-R358 PolarHBondContact O-N 3.16Å; Q355-L359 WeakPolarHBondContact O-CB 3.28Å; Q355-L359 PolarHBondContact O-N 3.44Å
356A90.5Very high88.4Confident0 Ų070.1 Ų70.10%035%0.352CS..Hα-helixtrans-63.3-43.5173.600000110.8L344 A345 L350 N352 A353 E354 L359 L360L344-A356 HydrophobicContact CD2-CB 4.17Å; L344-A356 HydrophobicContact CG-CB 4.44Å; A345-A356 HydrophobicContact CB-CB 4.08Å; L350-A356 HydrophobicContact CD1-CB 3.92Å; N352-A356 PolarHBondContact O-N 2.91Å; A353-A356 WeakPolarHBondContact O-CB 3.13Å; A353-A356 PolarHBondContact O-N 3.14Å; E354-A356 VanDerWaalsContact C-N 3.34Å; A356-L359 PolarHBondContact O-N 2.99Å; A356-L360 WeakPolarHBondContact O-CB 3.38Å; A356-L360 WeakPolarHBondContact O-CG 3.12Å; A356-L360 PolarHBondContact O-N 2.94Å
357E91.6Very high88.2Confident45 Ų4568.6 Ų68.621%0.2135%0.348CS..Hα-helixtrans-62.5-46.9175.9-169.9179.5-178.900111.9L341 A353 E354 Q355 L359 L360 F361 I373 Q375L341-E357 HydrophobicContact CD1-CB 4.42Å; L341-E357 HydrophobicContact CD2-CB 4.44Å; A353-E357 PolarHBondContact O-N 2.85Å; E354-E357 PolarHBondContact O-N 3.18Å; Q355-E357 VanDerWaalsContact C-N 3.34Å; E357-L359 VanDerWaalsContact C-N 3.35Å; E357-L359 PolarHBondContact O-N 3.03Å; E357-L360 PolarHBondContact O-N 3.49Å; E357-F361 WeakPolarHBondContact O-CB 3.48Å; E357-F361 PolarHBondContact O-N 3.21Å; E357-I373 HydrophobicContact CG-CD1 4.19Å; E357-I373 HydrophobicContact CG-CG2 4.3Å; E357-Q375 PolarHBondContact OE1-NE2 3.13Å
358R91.6Very high88.3Confident155 Ų15567.7 Ų67.759%0.58534%0.344SS*.Hα-helixtrans-60.4-42.8175.8-71.9178.6-168.2-176.54.7112.1E354 Q355 F361 D362E354-R358 WeakPolarHBondContact O-CG 3.48Å; E354-R358 PolarHBondContact O-N 3.13Å; E354-R358 IonicContact OE1-CZ 3.94Å; E354-R358 IonicContact OE1-NE 2.95Å; E354-R358 IonicContact OE1-NH2 2.75Å; E354-R358 PolarHBondContact OE1-NH2 3.44Å; Q355-R358 PolarHBondContact O-N 3.16Å; R358-F361 PolarHBondContact O-N 3.08Å; R358-D362 PolarHBondContact O-N 3.45Å
359L89.8Confident88.5Confident26 Ų2668.1 Ų68.114%0.13635%0.347CS..Hα-helixtrans-66.4-41.5178.4-176.860000111.7A325 K326 I329 L350 Q355 A356 E357 F361 D362 M363A325-L359 HydrophobicContact CB-CD2 3.77Å; K326-L359 HydrophobicContact CG-CD1 4.03Å; I329-L359 HydrophobicContact CD1-CD2 3.58Å; I329-L359 HydrophobicContact CD1-CG 3.92Å; L350-L359 HydrophobicContact CD1-CD2 4.13Å; Q355-L359 WeakPolarHBondContact O-CB 3.28Å; Q355-L359 PolarHBondContact O-N 3.44Å; A356-L359 PolarHBondContact O-N 2.99Å; E357-L359 VanDerWaalsContact C-N 3.35Å; E357-L359 PolarHBondContact O-N 3.03Å; L359-F361 VanDerWaalsContact C-N 3.33Å; L359-D362 PolarHBondContact O-N 3.42Å; L359-M363 HydrophobicContact CG-SD 4.39Å; L359-M363 VanDerWaalsContact O-CG 3.28Å; L359-M363 WeakPolarHBondContact O-CG 3.28Å; L359-M363 PolarHBondContact O-N 3.49Å
360L91.4Very high88.8Confident0 Ų067.4 Ų67.40%034%0.34CS..Hα-helixtrans-61.1-43173.7-83.7170.6000111.8I329 L341 L344 A356 E357 M363 A364 V369 V371 I373 V380 F382I329-L360 HydrophobicContact CG2-CD2 3.77Å; L341-L360 HydrophobicContact CD2-CD1 3.77Å; L344-L360 HydrophobicContact CD2-CD1 3.35Å; L344-L360 HydrophobicContact CD2-CD2 4.29Å; L344-L360 HydrophobicContact CD2-CG 3.86Å; A356-L360 WeakPolarHBondContact O-CB 3.38Å; A356-L360 WeakPolarHBondContact O-CG 3.12Å; A356-L360 PolarHBondContact O-N 2.94Å; E357-L360 PolarHBondContact O-N 3.49Å; L360-M363 PolarHBondContact O-N 3.35Å; L360-A364 WeakPolarHBondContact O-CB 3.27Å; L360-A364 PolarHBondContact O-N 3.43Å; L360-V369 HydrophobicContact CD2-CG1 4.46Å; L360-V371 HydrophobicContact CD2-CG1 4.11Å; L360-V371 HydrophobicContact CD2-CG2 4.37Å; L360-I373 HydrophobicContact CB-CD1 4.4Å; L360-V380 HydrophobicContact CD1-CB 4.2Å; L360-V380 HydrophobicContact CD1-CG1 4.38Å; L360-V380 HydrophobicContact CD1-CG2 3.8Å; L360-F382 HydrophobicContact CD2-CE1 4.19Å
361F90.8Very high89.2Confident134 Ų13467.5 Ų67.559%0.58834%0.342SS*.Hα-helixtrans-60.5-46.7176.8-173.3-91.1000111.3E357 R358 L359 M363 A364 A365E357-F361 WeakPolarHBondContact O-CB 3.48Å; E357-F361 PolarHBondContact O-N 3.21Å; R358-F361 PolarHBondContact O-N 3.08Å; L359-F361 VanDerWaalsContact C-N 3.33Å; F361-M363 VanDerWaalsContact C-N 3.31Å; F361-M363 PolarHBondContact O-N 3.42Å; F361-A364 PolarHBondContact O-N 2.6Å; F361-A365 WeakPolarHBondContact O-CB 3.39Å; F361-A365 PolarHBondContact O-N 2.99Å
362D90.3Very high89.4Confident88 Ų8869.6 Ų69.647%0.47134%0.341SS..Hα-helixtrans-61.5-36.7176.1-81.5-7.3000112.9R358 L359 R366R358-D362 PolarHBondContact O-N 3.45Å; L359-D362 PolarHBondContact O-N 3.42Å; D362-R366 WeakPolarHBondContact O-CG 3.23Å; D362-R366 PolarHBondContact O-N 2.72Å
363M90.6Very high89.4Confident0 Ų068.9 Ų68.90%034%0.337CS..Hα-helixtrans-71.5-40.8176-69.9176.970.900111.8K326 I329 L330 L359 L360 F361 R366 D367 E368 V369K326-M363 HydrophobicContact CB-CE 3.94Å; K326-M363 HydrophobicContact CB-SD 3.95Å; K326-M363 HydrophobicContact CD-CG 4.13Å; K326-M363 HydrophobicContact CG-CE 4.28Å; K326-M363 HydrophobicContact CG-CG 3.93Å; K326-M363 HydrophobicContact CG-SD 3.73Å; I329-M363 HydrophobicContact CB-CE 4.25Å; I329-M363 HydrophobicContact CB-SD 4.15Å; I329-M363 HydrophobicContact CD1-SD 3.85Å; I329-M363 HydrophobicContact CG2-CE 4.12Å; I329-M363 HydrophobicContact CG2-SD 4.07Å; L330-M363 HydrophobicContact CD1-CE 4.43Å; L330-M363 HydrophobicContact CD2-CE 4.14Å; L330-M363 HydrophobicContact CG-CE 3.84Å; L359-M363 HydrophobicContact CG-SD 4.39Å; L359-M363 VanDerWaalsContact O-CG 3.28Å; L359-M363 WeakPolarHBondContact O-CG 3.28Å; L359-M363 PolarHBondContact O-N 3.49Å; L360-M363 PolarHBondContact O-N 3.35Å; F361-M363 VanDerWaalsContact C-N 3.31Å; F361-M363 PolarHBondContact O-N 3.42Å; M363-R366 PolarHBondContact O-N 2.94Å; M363-D367 PolarHBondContact O-N 3.19Å; M363-E368 HydrophobicContact CB-CB 4.3Å; M363-E368 WeakPolarHBondContact O-CB 3.39Å; M363-E368 PolarHBondContact O-N 3.27Å; M363-V369 HydrophobicContact CB-CB 4.5Å; M363-V369 HydrophobicContact CB-CG1 3.57Å; M363-V369 HydrophobicContact CE-CB 4.26Å; M363-V369 HydrophobicContact CE-CG1 4.22Å
364A90.1Very high89.4Confident39 Ų3970.2 Ų70.232%0.32234%0.34SS..Hα-helixtrans-66.1-40.8177.400000111.8L360 F361 R366 D367 V369 V371L360-A364 WeakPolarHBondContact O-CB 3.27Å; L360-A364 PolarHBondContact O-N 3.43Å; F361-A364 PolarHBondContact O-N 2.6Å; A364-R366 PolarHBondContact O-N 2.89Å; A364-D367 PolarHBondContact O-N 3.25Å; A364-V369 WeakPolarHBondContact CA-O 3.26Å; A364-V371 HydrophobicContact CB-CG2 4.07Å
365A90.2Very high89.2Confident76 Ų7672.2 Ų72.263%0.62835%0.349SS*.Hα-helixtrans-62.2-24.6176.600000113.4F361F361-A365 WeakPolarHBondContact O-CB 3.39Å; F361-A365 PolarHBondContact O-N 2.99Å
366R86Confident89.1Confident175 Ų17577.2 Ų77.266%0.6637%0.369SS*.THydrogen-bonded Turntrans-966.3177.2-66.3173.7-176.5-123.9-4.6113.4D362 M363 A364 E368D362-R366 WeakPolarHBondContact O-CG 3.23Å; D362-R366 PolarHBondContact O-N 2.72Å; M363-R366 PolarHBondContact O-N 2.94Å; A364-R366 PolarHBondContact O-N 2.89Å; R366-E368 HydrophobicContact CB-CG 3.85Å; R366-E368 VanDerWaalsContact CD-OE1 3.25Å; R366-E368 WeakPolarHBondContact CD-OE1 3.42Å; R366-E368 PolarHBondContact O-N 2.98Å; R366-E368 VanDerWaalsContact O-N 3.16Å
367D85.1Confident88.9Confident114 Ų11482.4 Ų82.461%0.6140%0.397SS*.THydrogen-bonded Turntrans54.128-173.4-157.332000113.2M363 A364M363-D367 PolarHBondContact O-N 3.19Å; A364-D367 PolarHBondContact O-N 3.25Å
368E85.4Confident88.8Confident67 Ų6781.6 Ų81.631%0.31340%0.401SS..SBendtrans-78.3-31.7176.4-67.3173.8-164.900111K326 L330 M363 R366K326-E368 WeakPolarHBondContact CD-OE2 3.46Å; K326-E368 VanDerWaalsContact NZ-CD 3.26Å; K326-E368 IonicContact NZ-OE1 3.07Å; K326-E368 PolarHBondContact NZ-OE1 2.89Å; K326-E368 IonicContact NZ-OE2 2.78Å; K326-E368 PolarHBondContact NZ-OE2 3.28Å; L330-E368 WeakPolarHBondContact CD2-O 3.23Å; M363-E368 HydrophobicContact CB-CB 4.3Å; M363-E368 WeakPolarHBondContact O-CB 3.39Å; M363-E368 PolarHBondContact O-N 3.27Å; R366-E368 HydrophobicContact CB-CG 3.85Å; R366-E368 VanDerWaalsContact CD-OE1 3.25Å; R366-E368 WeakPolarHBondContact CD-OE1 3.42Å; R366-E368 PolarHBondContact O-N 2.98Å; R366-E368 VanDerWaalsContact O-N 3.16Å
369V86.6Confident88.8Confident12 Ų1275.9 Ų75.97%0.07338%0.383CS..  trans-144.1137.7178.774.10000110.1L330 L360 M363 A364 V371 F382L330-V369 HydrophobicContact CD2-CB 4.21Å; L330-V369 HydrophobicContact CD2-CG2 4.25Å; L360-V369 HydrophobicContact CD2-CG1 4.46Å; M363-V369 HydrophobicContact CB-CB 4.5Å; M363-V369 HydrophobicContact CB-CG1 3.57Å; M363-V369 HydrophobicContact CE-CB 4.26Å; M363-V369 HydrophobicContact CE-CG1 4.22Å; A364-V369 WeakPolarHBondContact CA-O 3.26Å; V369-V371 HydrophobicContact CG1-CG1 4.06Å; V369-V371 HydrophobicContact CG1-CG2 4.34Å; V369-V371 HydrophobicContact CG2-CG1 3.87Å; V369-F382 HydrophobicContact CG2-CD1 4.17Å; V369-F382 HydrophobicContact CG2-CE1 4.48Å
370R87.7Confident89Confident74 Ų7474.6 Ų74.628%0.27938%0.376SS..EExtended strand (participates in β ladder)trans-97.3114.2172.6-62-166.2-142.7156.820.1109.8F383 E385 V387R370-F383 HydrophobicContact CB-CB 4.2Å; R370-F383 PolarHBondContact O-N 2.91Å; R370-E385 VanDerWaalsContact CZ-O 3.32Å; R370-E385 PolarHBondContact NH1-O 3.36Å; R370-E385 IonicContact NH1-OE2 2.87Å; R370-E385 PolarHBondContact NH1-OE2 3.11Å; R370-E385 PolarHBondContact NH2-O 3.2Å; R370-V387 VanDerWaalsContact NH2-CG2 3.27Å
371V90.2Very high89Confident29 Ų2976.1 Ų76.118%0.17639%0.387CS..EExtended strand (participates in β ladder)trans-135.7151.8-177.5-67.60000112L360 A364 V369 V380 S381 F382L360-V371 HydrophobicContact CD2-CG1 4.11Å; L360-V371 HydrophobicContact CD2-CG2 4.37Å; A364-V371 HydrophobicContact CB-CG2 4.07Å; V369-V371 HydrophobicContact CG1-CG1 4.06Å; V369-V371 HydrophobicContact CG1-CG2 4.34Å; V369-V371 HydrophobicContact CG2-CG1 3.87Å; V371-V380 HydrophobicContact CB-CG2 3.78Å; V371-V380 HydrophobicContact CG1-CG2 4.06Å; V371-V380 HydrophobicContact CG2-CG2 4.44Å; V371-S381 CarbonylContact C-O 3.52Å; V371-S381 VanDerWaalsContact CA-O 3.23Å; V371-S381 WeakPolarHBondContact CA-O 3.36Å; V371-F382 HydrophobicContact CG1-CD1 3.32Å; V371-F382 HydrophobicContact CG1-CE1 3.62Å; V371-F382 HydrophobicContact CG1-CG 4.27Å
372K90.4Very high89Confident141 Ų14170.5 Ų70.561%0.61336%0.362SS*.EExtended strand (participates in β ladder)trans-118.5121.7165.5-178.7177.9-178-177.70108.3V380 S381 F383K372-V380 WeakPolarHBondContact O-CA 3.23Å; K372-S381 PolarHBondContact N-O 2.91Å; K372-S381 PolarHBondContact O-N 2.92Å; K372-F383 HydrophobicContact CB-CE2 3.54Å; K372-F383 HydrophobicContact CB-CZ 4.02Å
373I90Very high88.8Confident51 Ų5171.4 Ų71.426%0.26236%0.362SS..EExtended strand (participates in β ladder)trans-96.4120.6-179.1-55.7170.4000107.6L341 E357 L360 V380L341-I373 HydrophobicContact CD1-CG2 4.36Å; E357-I373 HydrophobicContact CG-CD1 4.19Å; E357-I373 HydrophobicContact CG-CG2 4.3Å; L360-I373 HydrophobicContact CB-CD1 4.4Å; I373-V380 HydrophobicContact CG1-CG2 4.05Å
374D90.4Very high88Confident61 Ų6178.1 Ų78.133%0.32639%0.393SS..EExtended strand (participates in β ladder)trans-100.798.6170-175.8-13000109K376 N377 G378 T379D374-K376 VanDerWaalsContact C-N 3.27Å; D374-K376 PolarHBondContact O-N 2.92Å; D374-K376 WeakPolarHBondContact OD1-CB 3.22Å; D374-K376 PolarHBondContact OD1-N 3.32Å; D374-N377 PolarHBondContact O-N 3.37Å; D374-N377 PolarHBondContact OD1-N 2.92Å; D374-N377 PolarHBondContact OD2-ND2 3.24Å; D374-G378 WeakPolarHBondContact O-CA 3.26Å; D374-G378 PolarHBondContact O-N 2.96Å; D374-T379 PolarHBondContact N-O 3.39Å; D374-T379 PolarHBondContact O-N 3.06Å; D374-T379 VanDerWaalsContact O-N 3.09Å
375Q86.5Confident86.9Confident142 Ų14282.6 Ų82.666%0.66441%0.408SS*.THydrogen-bonded Turntrans-71-23.1-177-145.916831.400112.6E357E357-Q375 PolarHBondContact OE1-NE2 3.13Å
376K86.8Confident85.5Confident193 Ų19384.5 Ų84.584%0.83941%0.414SS*.THydrogen-bonded Turntrans-72.2-39.5178.6-172.4-178.5178.3-176.70111.2D374D374-K376 VanDerWaalsContact C-N 3.27Å; D374-K376 PolarHBondContact O-N 2.92Å; D374-K376 WeakPolarHBondContact OD1-CB 3.22Å; D374-K376 PolarHBondContact OD1-N 3.32Å
377N85.6Confident84.3Confident109 Ų10980.8 Ų80.858%0.58341%0.41SS*.THydrogen-bonded Turntrans-98.9-2.3-179.5-63.7-40.8000113.3D374 T379D374-N377 PolarHBondContact O-N 3.37Å; D374-N377 PolarHBondContact OD1-N 2.92Å; D374-N377 PolarHBondContact OD2-ND2 3.24Å; N377-T379 VanDerWaalsContact C-N 3.27Å; N377-T379 VanDerWaalsContact CB-OG1 3.29Å; N377-T379 WeakPolarHBondContact CB-OG1 3.46Å; N377-T379 PolarHBondContact O-N 2.99Å; N377-T379 PolarHBondContact O-OG1 3.22Å
378G89.3Confident83.1Confident28 Ų2885.2 Ų85.229%0.28942%0.424SS..THydrogen-bonded Turntrans60.735-178.400000113.1S340 L341 D374S340-G378 WeakPolarHBondContact CA-O 3.41Å; L341-G378 PolarHBondContact N-O 2.91Å; D374-G378 WeakPolarHBondContact O-CA 3.26Å; D374-G378 PolarHBondContact O-N 2.96Å
379T91.8Very high82Confident34 Ų3486 Ų8621%0.20943%0.434CS..EExtended strand (participates in β ladder)trans-125.1146.1-171.3-11.20000111.5V338 M339 D374 N377V338-T379 HydrophobicContact CG1-CG2 3.54Å; M339-T379 VanDerWaalsContact O-CG2 3.29Å; M339-T379 WeakPolarHBondContact O-CG2 3.45Å; D374-T379 PolarHBondContact N-O 3.39Å; D374-T379 PolarHBondContact O-N 3.06Å; D374-T379 VanDerWaalsContact O-N 3.09Å; N377-T379 VanDerWaalsContact C-N 3.27Å; N377-T379 VanDerWaalsContact CB-OG1 3.29Å; N377-T379 WeakPolarHBondContact CB-OG1 3.46Å; N377-T379 PolarHBondContact O-N 2.99Å; N377-T379 PolarHBondContact O-OG1 3.22Å
380V92.8Very high81.5Confident0 Ų087.9 Ų87.90%045%0.447CS..EExtended strand (participates in β ladder)trans-113.3136.4173.683.70000109.9V338 M339 L341 L360 V371 K372 I373 F382V338-V380 CarbonylContact C-O 3.54Å; V338-V380 VanDerWaalsContact CA-O 3.29Å; V338-V380 WeakPolarHBondContact CA-O 3.47Å; M339-V380 HydrophobicContact CB-CG1 4.38Å; M339-V380 PolarHBondContact N-O 3.08Å; M339-V380 PolarHBondContact O-N 3.12Å; L341-V380 HydrophobicContact CD2-CB 4.4Å; L360-V380 HydrophobicContact CD1-CB 4.2Å; L360-V380 HydrophobicContact CD1-CG1 4.38Å; L360-V380 HydrophobicContact CD1-CG2 3.8Å; V371-V380 HydrophobicContact CB-CG2 3.78Å; V371-V380 HydrophobicContact CG1-CG2 4.06Å; V371-V380 HydrophobicContact CG2-CG2 4.44Å; K372-V380 WeakPolarHBondContact O-CA 3.23Å; I373-V380 HydrophobicContact CG1-CG2 4.05Å; V380-F382 HydrophobicContact CG1-CD2 4.18Å; V380-F382 HydrophobicContact CG1-CE1 4.17Å; V380-F382 HydrophobicContact CG1-CE2 3.47Å; V380-F382 VanDerWaalsContact CG1-CE2 3.47Å; V380-F382 HydrophobicContact CG1-CZ 3.46Å; V380-F382 VanDerWaalsContact CG1-CZ 3.46Å
381S91.7Very high81.2Confident32 Ų3290.7 Ų90.722%0.22447%0.467CS..EExtended strand (participates in β ladder)trans-108.7127172-53.90000109.6A337 V371 K372A337-S381 CarbonylContact O-C 3.56Å; A337-S381 VanDerWaalsContact O-CA 3.32Å; A337-S381 WeakPolarHBondContact O-CA 3.47Å; V371-S381 CarbonylContact C-O 3.52Å; V371-S381 VanDerWaalsContact CA-O 3.23Å; V371-S381 WeakPolarHBondContact CA-O 3.36Å; K372-S381 PolarHBondContact N-O 2.91Å; K372-S381 PolarHBondContact O-N 2.92Å
382F90.7Very high81Confident16 Ų1693.5 Ų93.57%0.0748%0.484CS..EExtended strand (participates in β ladder)trans-96.7137179.3-62.1-79.6000110.9I329 Y336 A337 M339 L344 L360 V369 V371 V380I329-F382 HydrophobicContact CG2-CE1 4.21Å; Y336-F382 VanDerWaalsContact O-CD2 3.29Å; Y336-F382 WeakPolarHBondContact O-CD2 3.2Å; A337-F382 PolarHBondContact O-N 3.34Å; M339-F382 HydrophobicContact CB-CE2 4.15Å; L344-F382 HydrophobicContact CD1-CZ 4.45Å; L360-F382 HydrophobicContact CD2-CE1 4.19Å; V369-F382 HydrophobicContact CG2-CD1 4.17Å; V369-F382 HydrophobicContact CG2-CE1 4.48Å; V371-F382 HydrophobicContact CG1-CD1 3.32Å; V371-F382 HydrophobicContact CG1-CE1 3.62Å; V371-F382 HydrophobicContact CG1-CG 4.27Å; V380-F382 HydrophobicContact CG1-CD2 4.18Å; V380-F382 HydrophobicContact CG1-CE1 4.17Å; V380-F382 HydrophobicContact CG1-CE2 3.47Å; V380-F382 VanDerWaalsContact CG1-CE2 3.47Å; V380-F382 HydrophobicContact CG1-CZ 3.46Å; V380-F382 VanDerWaalsContact CG1-CZ 3.46Å
383F86.1Confident80.6Confident106 Ų10692.6 Ų92.647%0.46548%0.482SS..EExtended strand (participates in β ladder)trans-117.7136.2177.3-56-83.8000111.3R370 K372R370-F383 HydrophobicContact CB-CB 4.2Å; R370-F383 PolarHBondContact O-N 2.91Å; K372-F383 HydrophobicContact CB-CE2 3.54Å; K372-F383 HydrophobicContact CB-CZ 4.02Å
384Q74.2Confident80.3Confident141 Ų14192.6 Ų92.666%0.65949%0.487SS*.  trans-117.568.9171.3-65.5-176.322.600109.2S333S333-Q384 PolarHBondContact O-NE2 3.47Å; S333-Q384 VanDerWaalsContact O-NE2 3.11Å
385E67Low80.3Confident134 Ų13493.9 Ų93.963%0.62649%0.493SS*.  trans-81.8125.5166.7-90.6-178.5178.300108.5R370 V387R370-E385 VanDerWaalsContact CZ-O 3.32Å; R370-E385 PolarHBondContact NH1-O 3.36Å; R370-E385 IonicContact NH1-OE2 2.87Å; R370-E385 PolarHBondContact NH1-OE2 3.11Å; R370-E385 PolarHBondContact NH2-O 3.2Å; E385-V387 PolarHBondContact O-N 3Å
386P61.5Low80.4Confident115 Ų11592.9 Ų92.975%0.74749%0.486SS*.  trans-58.6127.4172.723.3-30.4000108.5K388P386-K388 PolarHBondContact O-N 3.2Å
387V60.3Low80.3Confident98 Ų9892.9 Ų92.959%0.59448%0.481SS*.  trans-55.9115.1173.4179.20000106.4R370 E385 T389R370-V387 VanDerWaalsContact NH2-CG2 3.27Å; E385-V387 PolarHBondContact O-N 3Å; V387-T389 PolarHBondContact O-N 3.33Å; V387-T389 PolarHBondContact O-OG1 2.7Å
388K60.3Low80.6Confident207 Ų20793.3 Ų93.390%0.948%0.483SS*.  trans-71.379.3169.1-71.7-176-179.3177.90107.1P386 S390P386-K388 PolarHBondContact O-N 3.2Å; K388-S390 PolarHBondContact O-N 3.11Å
389T62Low80.6Confident83 Ų8398.3 Ų98.351%0.50950%0.498SS..  trans-59.7125.5174.4-42.50000107.3V387 L391 S394V387-T389 PolarHBondContact O-N 3.33Å; V387-T389 PolarHBondContact O-OG1 2.7Å; T389-L391 PolarHBondContact O-N 2.87Å; T389-S394 WeakPolarHBondContact CG2-OG 3.21Å
390S77.1Confident80.5Confident51 Ų51102.7 Ų102.736%0.35752%0.518SS..  trans-54.3130.2176.6164.20000109.2K388 V392 E393 S394K388-S390 PolarHBondContact O-N 3.11Å; S390-V392 PolarHBondContact O-N 3.21Å; S390-V392 PolarHBondContact OG-N 2.74Å; S390-E393 PolarHBondContact O-N 2.91Å; S390-E393 VanDerWaalsContact O-N 3.11Å; S390-E393 PolarHBondContact OG-N 2.93Å; S390-S394 PolarHBondContact O-N 3.38Å; S390-S394 PolarHBondContact O-OG 2.97Å; S390-S394 VanDerWaalsContact O-OG 3.1Å
391L80.3Confident80.3Confident134 Ų134106.4 Ų106.470%0.70254%0.541SS*.Hα-helixtrans-54.1-36.7175.3-176.770000110.5T389 S394 L395T389-L391 PolarHBondContact O-N 2.87Å; L391-S394 PolarHBondContact O-N 3.42Å; L391-L395 HydrophobicContact CG-CD1 4.18Å; L391-L395 WeakPolarHBondContact O-CB 3.49Å; L391-L395 WeakPolarHBondContact O-CG 3.46Å; L391-L395 PolarHBondContact O-N 3.27Å
392V85.5Confident80.3Confident87 Ų87109.5 Ų109.553%0.52756%0.555SS.*Hα-helixtrans-67.2-41179.9-178.10000111.7S390 L395 K396S390-V392 PolarHBondContact O-N 3.21Å; S390-V392 PolarHBondContact OG-N 2.74Å; V392-L395 PolarHBondContact O-N 3.02Å; V392-K396 WeakPolarHBondContact O-CG 3.34Å; V392-K396 PolarHBondContact O-N 2.99Å
393E83.5Confident80.3Confident123 Ų123111.6 Ų111.658%0.57557%0.571SS**Hα-helixtrans-67.9-39.3176.1-70.7174.9170.400111.4S390 K396 R397S390-E393 PolarHBondContact O-N 2.91Å; S390-E393 VanDerWaalsContact O-N 3.11Å; S390-E393 PolarHBondContact OG-N 2.93Å; E393-K396 PolarHBondContact O-N 3.05Å; E393-R397 WeakPolarHBondContact O-CB 3.33Å; E393-R397 PolarHBondContact O-N 2.96Å
394S83.4Confident80.3Confident51 Ų51111.3 Ų111.336%0.35757%0.573SS.*Hα-helixtrans-63.3-43176.4-55.70000111.3T389 S390 L391 R397 L398T389-S394 WeakPolarHBondContact CG2-OG 3.21Å; S390-S394 PolarHBondContact O-N 3.38Å; S390-S394 PolarHBondContact O-OG 2.97Å; S390-S394 VanDerWaalsContact O-OG 3.1Å; L391-S394 PolarHBondContact O-N 3.42Å; S394-R397 PolarHBondContact O-N 3.34Å; S394-L398 WeakPolarHBondContact O-CB 3.49Å; S394-L398 PolarHBondContact O-N 3.28Å
395L88.9Confident81.1Confident88 Ų88108.5 Ų108.546%0.46157%0.566SS.*Hα-helixtrans-63-46.8175-77.2169.1000112L391 V392 R397 L398 E399L391-L395 HydrophobicContact CG-CD1 4.18Å; L391-L395 WeakPolarHBondContact O-CB 3.49Å; L391-L395 WeakPolarHBondContact O-CG 3.46Å; L391-L395 PolarHBondContact O-N 3.27Å; V392-L395 PolarHBondContact O-N 3.02Å; L395-R397 VanDerWaalsContact C-N 3.28Å; L395-R397 PolarHBondContact O-N 3.32Å; L395-L398 WeakPolarHBondContact O-CB 3.39Å; L395-L398 PolarHBondContact O-N 2.88Å; L395-L398 VanDerWaalsContact O-N 3.14Å; L395-E399 WeakPolarHBondContact O-CG 3.35Å; L395-E399 PolarHBondContact O-N 2.97Å
396K88.7Confident82.1Confident120 Ų120106.9 Ų106.952%0.52256%0.558SS.*Hα-helixtrans-59.5-39.5175.8-77.2-179.9177.5-177.90112.5V392 E393 E399 M400V392-K396 WeakPolarHBondContact O-CG 3.34Å; V392-K396 PolarHBondContact O-N 2.99Å; E393-K396 PolarHBondContact O-N 3.05Å; K396-E399 PolarHBondContact O-N 2.99Å; K396-M400 PolarHBondContact O-N 3.19Å
397R86.1Confident83.2Confident194 Ų194105.4 Ų105.473%0.73254%0.544SS*.Hα-helixtrans-65.5-42176.7-161.3179.2-144.5-177.97.8111E393 S394 L395 M400 T401E393-R397 WeakPolarHBondContact O-CB 3.33Å; E393-R397 PolarHBondContact O-N 2.96Å; S394-R397 PolarHBondContact O-N 3.34Å; L395-R397 VanDerWaalsContact C-N 3.28Å; L395-R397 PolarHBondContact O-N 3.32Å; R397-M400 PolarHBondContact O-N 2.98Å; R397-T401 PolarHBondContact O-N 3.34Å; R397-T401 PolarHBondContact O-OG1 2.91Å
398L90.3Very high84.4Confident118 Ų118104.3 Ų104.362%0.61853%0.534SS*.Hα-helixtrans-60.4-47.4175.9-166.693.4000111.4S394 L395 M400 T401 L402S394-L398 WeakPolarHBondContact O-CB 3.49Å; S394-L398 PolarHBondContact O-N 3.28Å; L395-L398 WeakPolarHBondContact O-CB 3.39Å; L395-L398 PolarHBondContact O-N 2.88Å; L395-L398 VanDerWaalsContact O-N 3.14Å; L398-M400 PolarHBondContact O-N 2.64Å; L398-T401 PolarHBondContact O-N 3.49Å; L398-L402 WeakPolarHBondContact O-CB 3.24Å; L398-L402 PolarHBondContact O-N 3.37Å
399E91.2Very high85.7Confident132 Ų13299.2 Ų99.262%0.61752%0.517SS*.Hα-helixtrans-59.8-45.2177.3-74.5175.7170.400112L395 K396 L402 S403L395-E399 WeakPolarHBondContact O-CG 3.35Å; L395-E399 PolarHBondContact O-N 2.97Å; K396-E399 PolarHBondContact O-N 2.99Å; E399-L402 PolarHBondContact O-N 2.95Å; E399-S403 PolarHBondContact O-N 3.01Å
400M88.6Confident86.8Confident126 Ų126101.3 Ų101.362%0.62152%0.519SS*.Hα-helixtrans-61.1-45.6174.7-84.4-177.8-121.900112K396 R397 L398 L402 S403 I404K396-M400 PolarHBondContact O-N 3.19Å; R397-M400 PolarHBondContact O-N 2.98Å; L398-M400 PolarHBondContact O-N 2.64Å; M400-L402 VanDerWaalsContact C-N 3.32Å; M400-L402 PolarHBondContact O-N 2.9Å; M400-S403 PolarHBondContact O-N 3.15Å; M400-I404 WeakPolarHBondContact O-CG1 3.49Å; M400-I404 PolarHBondContact O-N 3.37Å; M400-I404 VanDerWaalsContact O-N 3.09Å
401T89Confident87.1Confident78 Ų78103 Ų10348%0.47952%0.524SS..Hα-helixtrans-61.7-42177.5-58.90000111.4R397 L398 S403 I404 V405R397-T401 PolarHBondContact O-N 3.34Å; R397-T401 PolarHBondContact O-OG1 2.91Å; L398-T401 PolarHBondContact O-N 3.49Å; T401-S403 VanDerWaalsContact C-N 3.34Å; T401-S403 PolarHBondContact O-N 2.84Å; T401-I404 PolarHBondContact O-N 3.27Å; T401-V405 WeakPolarHBondContact O-CG2 3.42Å; T401-V405 PolarHBondContact O-N 2.95Å
402L91.8Very high87.3Confident98 Ų98101.5 Ų101.551%0.51352%0.516SS..Hα-helixtrans-61.2-43.1177.4-175.665.2000111.4L398 E399 M400 I404 V405 Q406L398-L402 WeakPolarHBondContact O-CB 3.24Å; L398-L402 PolarHBondContact O-N 3.37Å; E399-L402 PolarHBondContact O-N 2.95Å; M400-L402 VanDerWaalsContact C-N 3.32Å; M400-L402 PolarHBondContact O-N 2.9Å; L402-I404 VanDerWaalsContact C-N 3.33Å; L402-I404 PolarHBondContact O-N 3.01Å; L402-V405 PolarHBondContact O-N 3.04Å; L402-Q406 WeakPolarHBondContact O-CG 3.39Å; L402-Q406 PolarHBondContact O-N 3.03Å
403S90.6Very high87.3Confident59 Ų59100.4 Ų100.441%0.41351%0.51SS..Hα-helixtrans-62.8-38.7177.1-175.60000112.6E399 M400 T401 N407E399-S403 PolarHBondContact O-N 3.01Å; M400-S403 PolarHBondContact O-N 3.15Å; T401-S403 VanDerWaalsContact C-N 3.34Å; T401-S403 PolarHBondContact O-N 2.84Å; S403-N407 PolarHBondContact O-N 2.98Å; S403-N407 VanDerWaalsContact O-N 3.14Å
404I86.5Confident87.3Confident100 Ų10097.6 Ų97.651%0.51350%0.504SS..Hα-helixtrans-64.2-47.5175.9-67.8166.5000110.1M400 T401 L402 Q406 N407 L408M400-I404 WeakPolarHBondContact O-CG1 3.49Å; M400-I404 PolarHBondContact O-N 3.37Å; M400-I404 VanDerWaalsContact O-N 3.09Å; T401-I404 PolarHBondContact O-N 3.27Å; L402-I404 VanDerWaalsContact C-N 3.33Å; L402-I404 PolarHBondContact O-N 3.01Å; I404-Q406 VanDerWaalsContact C-N 3.33Å; I404-Q406 PolarHBondContact O-N 3.34Å; I404-N407 PolarHBondContact O-N 3.4Å; I404-L408 HydrophobicContact CG2-CD1 4Å; I404-L408 WeakPolarHBondContact O-CG 3.42Å; I404-L408 PolarHBondContact O-N 3.09Å
405V90.1Very high87.2Confident82 Ų8298 Ų9850%0.49751%0.507SS..Hα-helixtrans-60.8-42.8179.2172.50000111.2T401 L402 N407 L408 D409T401-V405 WeakPolarHBondContact O-CG2 3.42Å; T401-V405 PolarHBondContact O-N 2.95Å; L402-V405 PolarHBondContact O-N 3.04Å; V405-N407 VanDerWaalsContact C-N 3.34Å; V405-N407 PolarHBondContact O-N 3.02Å; V405-L408 PolarHBondContact O-N 3.24Å; V405-D409 WeakPolarHBondContact O-CB 3.39Å; V405-D409 PolarHBondContact O-N 3.38Å
406Q89.4Confident86.9Confident101 Ų10197.4 Ų97.447%0.47250%0.503SS..Hα-helixtrans-62.8-37.4177.1-74.9175.5-15.400113.1L402 I404 K410L402-Q406 WeakPolarHBondContact O-CG 3.39Å; L402-Q406 PolarHBondContact O-N 3.03Å; I404-Q406 VanDerWaalsContact C-N 3.33Å; I404-Q406 PolarHBondContact O-N 3.34Å; Q406-K410 WeakPolarHBondContact O-CG 3.26Å; Q406-K410 PolarHBondContact O-N 3.04Å; Q406-K410 VanDerWaalsContact O-N 3.13Å
407N84.3Confident86.5Confident83 Ų8396.5 Ų96.544%0.44450%0.501SS..Hα-helixtrans-70.8-39.9176.1-77-18000111.8S403 I404 V405 D409 K410 N411S403-N407 PolarHBondContact O-N 2.98Å; S403-N407 VanDerWaalsContact O-N 3.14Å; I404-N407 PolarHBondContact O-N 3.4Å; V405-N407 VanDerWaalsContact C-N 3.34Å; V405-N407 PolarHBondContact O-N 3.02Å; N407-D409 VanDerWaalsContact C-N 3.33Å; N407-D409 PolarHBondContact O-N 3.13Å; N407-K410 PolarHBondContact O-N 2.91Å; N407-N411 PolarHBondContact O-N 3.3Å; N407-N411 PolarHBondContact O-OD1 3.07Å
408L85.2Confident86Confident76 Ų7693 Ų9340%0.39849%0.492SS..Hα-helixtrans-62.1-40.9174.1-72.1170000111.8I404 V405 N411 L412I404-L408 HydrophobicContact CG2-CD1 4Å; I404-L408 WeakPolarHBondContact O-CG 3.42Å; I404-L408 PolarHBondContact O-N 3.09Å; V405-L408 PolarHBondContact O-N 3.24Å; L408-N411 PolarHBondContact O-N 2.63Å; L408-L412 WeakPolarHBondContact O-CB 3.19Å; L408-L412 PolarHBondContact O-N 3.42Å
409D87.1Confident85.4Confident99 Ų9989.9 Ų89.953%0.52948%0.481SS..Hα-helixtrans-63.4-41.5177.5-171.760.1000112.1V405 N407 L412 T413V405-D409 WeakPolarHBondContact O-CB 3.39Å; V405-D409 PolarHBondContact O-N 3.38Å; N407-D409 VanDerWaalsContact C-N 3.33Å; N407-D409 PolarHBondContact O-N 3.13Å; D409-L412 PolarHBondContact O-N 3.36Å; D409-T413 WeakPolarHBondContact O-CB 3.48Å; D409-T413 PolarHBondContact O-N 3.06Å; D409-T413 PolarHBondContact O-OG1 2.89Å
410K86.3Confident84.7Confident127 Ų12790.1 Ų90.155%0.55248%0.48SS*.Hα-helixtrans-61.3-47.5172.5-72.7173-174.7174.60111.8Q406 N407 L412 T413 S414Q406-K410 WeakPolarHBondContact O-CG 3.26Å; Q406-K410 PolarHBondContact O-N 3.04Å; Q406-K410 VanDerWaalsContact O-N 3.13Å; N407-K410 PolarHBondContact O-N 2.91Å; K410-L412 VanDerWaalsContact C-N 3.33Å; K410-L412 PolarHBondContact O-N 3.28Å; K410-T413 PolarHBondContact O-N 3.27Å; K410-S414 PolarHBondContact O-N 3.17Å; K410-S414 PolarHBondContact O-OG 2.8Å; K410-S414 VanDerWaalsContact O-OG 3.09Å
411N81.7Confident84Confident87 Ų8791.8 Ų91.847%0.46548%0.479SS..Hα-helixtrans-62.9-41.8179.7-70.9-0.2000111.4N407 L408 S414 S415N407-N411 PolarHBondContact O-N 3.3Å; N407-N411 PolarHBondContact O-OD1 3.07Å; L408-N411 PolarHBondContact O-N 2.63Å; N411-S414 PolarHBondContact O-N 3.24Å; N411-S415 WeakPolarHBondContact O-CB 3.3Å; N411-S415 PolarHBondContact O-N 2.81Å
412L85.4Confident82.9Confident102 Ų10292.2 Ų92.253%0.53448%0.475SS..Hα-helixtrans-64.6-43176.5-17664.1000111.5L408 D409 K410 S415 I416L408-L412 WeakPolarHBondContact O-CB 3.19Å; L408-L412 PolarHBondContact O-N 3.42Å; D409-L412 PolarHBondContact O-N 3.36Å; K410-L412 VanDerWaalsContact C-N 3.33Å; K410-L412 PolarHBondContact O-N 3.28Å; L412-S415 PolarHBondContact O-N 3.02Å; L412-I416 HydrophobicContact CD1-CD1 4.17Å; L412-I416 HydrophobicContact CD1-CG1 4.37Å; L412-I416 HydrophobicContact CD2-CD1 4.47Å; L412-I416 HydrophobicContact CG-CD1 3.85Å; L412-I416 HydrophobicContact CG-CG1 4.45Å; L412-I416 WeakPolarHBondContact O-CB 3.46Å; L412-I416 VanDerWaalsContact O-CG1 3.26Å; L412-I416 WeakPolarHBondContact O-CG1 3.22Å; L412-I416 PolarHBondContact O-N 3.21Å
413T86.4Confident81.5Confident64 Ų6495.3 Ų95.339%0.39348%0.48SS..Hα-helixtrans-60.7-47.4177.3-57.90000110.8D409 K410 S415 I416 E417D409-T413 WeakPolarHBondContact O-CB 3.48Å; D409-T413 PolarHBondContact O-N 3.06Å; D409-T413 PolarHBondContact O-OG1 2.89Å; K410-T413 PolarHBondContact O-N 3.27Å; T413-S415 PolarHBondContact O-N 2.74Å; T413-I416 PolarHBondContact O-N 3.49Å; T413-E417 WeakPolarHBondContact O-CG 3.47Å; T413-E417 PolarHBondContact O-N 2.97Å
414S82.7Confident80.2Confident64 Ų6496.9 Ų96.945%0.44849%0.488SS..Hα-helixtrans-59.3-44.9175.6-59.10000111.9K410 N411 E417 E418K410-S414 PolarHBondContact O-N 3.17Å; K410-S414 PolarHBondContact O-OG 2.8Å; K410-S414 VanDerWaalsContact O-OG 3.09Å; N411-S414 PolarHBondContact O-N 3.24Å; S414-E417 PolarHBondContact O-N 2.92Å; S414-E418 WeakPolarHBondContact O-CG 3.28Å; S414-E418 PolarHBondContact O-N 3.42Å
415S80.1Confident78.7Confident60 Ų60101.2 Ų101.242%0.4250%0.498SS..Hα-helixtrans-64.2-41.5178.5-176.40000112.3N411 L412 T413 E417 E418 S419N411-S415 WeakPolarHBondContact O-CB 3.3Å; N411-S415 PolarHBondContact O-N 2.81Å; L412-S415 PolarHBondContact O-N 3.02Å; T413-S415 PolarHBondContact O-N 2.74Å; S415-E417 PolarHBondContact O-N 3.37Å; S415-E418 PolarHBondContact O-N 3.34Å; S415-S419 PolarHBondContact O-N 3.19Å; S415-S419 PolarHBondContact O-OG 3.47Å
416I82.8Confident76.8Confident76 Ų76103.9 Ų103.939%0.3951%0.505SS..Hα-helixtrans-63.8-41.3175.1-70.3168.4000110.9L412 T413 S419 K420L412-I416 HydrophobicContact CD1-CD1 4.17Å; L412-I416 HydrophobicContact CD1-CG1 4.37Å; L412-I416 HydrophobicContact CD2-CD1 4.47Å; L412-I416 HydrophobicContact CG-CD1 3.85Å; L412-I416 HydrophobicContact CG-CG1 4.45Å; L412-I416 WeakPolarHBondContact O-CB 3.46Å; L412-I416 VanDerWaalsContact O-CG1 3.26Å; L412-I416 WeakPolarHBondContact O-CG1 3.22Å; L412-I416 PolarHBondContact O-N 3.21Å; T413-I416 PolarHBondContact O-N 3.49Å; I416-S419 PolarHBondContact O-N 3.33Å; I416-K420 HydrophobicContact CG2-CD 4.16Å; I416-K420 HydrophobicContact CG2-CG 4.46Å; I416-K420 WeakPolarHBondContact O-CB 3.41Å; I416-K420 VanDerWaalsContact O-CG 3.3Å; I416-K420 WeakPolarHBondContact O-CG 3.47Å; I416-K420 PolarHBondContact O-N 2.85Å
417E80.8Confident74.7Confident100 Ų100105.5 Ų105.547%0.46752%0.517SS..Hα-helixtrans-63.4-42.2175.7-75.7-174.2-178.900112T413 S414 S415 K420 R421T413-E417 WeakPolarHBondContact O-CG 3.47Å; T413-E417 PolarHBondContact O-N 2.97Å; S414-E417 PolarHBondContact O-N 2.92Å; S415-E417 PolarHBondContact O-N 3.37Å; E417-K420 PolarHBondContact O-N 2.9Å; E417-R421 WeakPolarHBondContact O-CG 3.44Å; E417-R421 PolarHBondContact O-N 2.99Å
418E76.7Confident72.6Confident120 Ų120106.5 Ų106.556%0.56153%0.525SS*.Hα-helixtrans-61.9-47173.9-75.6179.2-178.600111.7S414 S415 K420 R421 K422S414-E418 WeakPolarHBondContact O-CG 3.28Å; S414-E418 PolarHBondContact O-N 3.42Å; S415-E418 PolarHBondContact O-N 3.34Å; E418-K420 VanDerWaalsContact C-N 3.35Å; E418-K420 PolarHBondContact O-N 3.31Å; E418-R421 PolarHBondContact O-N 3.23Å; E418-K422 WeakPolarHBondContact O-CG 3.21Å; E418-K422 PolarHBondContact O-N 3.16Å
419S76.7Confident70.2Confident54 Ų54107.9 Ų107.938%0.37854%0.539SS..Hα-helixtrans-60.3-42.5175.3-65.80000112.1S415 I416 R421 K422 Y423S415-S419 PolarHBondContact O-N 3.19Å; S415-S419 PolarHBondContact O-OG 3.47Å; I416-S419 PolarHBondContact O-N 3.33Å; S419-R421 VanDerWaalsContact C-N 3.34Å; S419-R421 PolarHBondContact O-N 3.05Å; S419-K422 WeakPolarHBondContact O-CB 3.46Å; S419-K422 PolarHBondContact O-N 3.39Å; S419-Y423 VanDerWaalsContact O-CD2 3.3Å; S419-Y423 WeakPolarHBondContact O-CD2 3.06Å; S419-Y423 PolarHBondContact O-N 3.28Å; S419-Y423 VanDerWaalsContact O-N 3.1Å
420K77.2Confident67.9Low136 Ų136111.3 Ų111.359%0.59156%0.557SS**Hα-helixtrans-61.1-43175.8-77.9175.2-179.7176.40111.8I416 E417 E418 K422 Y423 T424I416-K420 HydrophobicContact CG2-CD 4.16Å; I416-K420 HydrophobicContact CG2-CG 4.46Å; I416-K420 WeakPolarHBondContact O-CB 3.41Å; I416-K420 VanDerWaalsContact O-CG 3.3Å; I416-K420 WeakPolarHBondContact O-CG 3.47Å; I416-K420 PolarHBondContact O-N 2.85Å; E417-K420 PolarHBondContact O-N 2.9Å; E418-K420 VanDerWaalsContact C-N 3.35Å; E418-K420 PolarHBondContact O-N 3.31Å; K420-K422 VanDerWaalsContact C-N 3.3Å; K420-K422 PolarHBondContact O-N 3.19Å; K420-Y423 PolarHBondContact O-N 3.05Å; K420-T424 PolarHBondContact O-N 3.35Å; K420-T424 PolarHBondContact O-OG1 3.5Å
421R74Confident65.3Low161 Ų161112.8 Ų112.861%0.60857%0.57SS**Hα-helixtrans-60.6-39.2176.4-73.6175.9-171.6-166.65.8111.9E417 E418 S419 T424 R425E417-R421 WeakPolarHBondContact O-CG 3.44Å; E417-R421 PolarHBondContact O-N 2.99Å; E418-R421 PolarHBondContact O-N 3.23Å; S419-R421 VanDerWaalsContact C-N 3.34Å; S419-R421 PolarHBondContact O-N 3.05Å; R421-T424 WeakPolarHBondContact CA-OG1 3.48Å; R421-T424 PolarHBondContact O-OG1 3.43Å; R421-R425 PolarHBondContact O-N 3.49Å
422K64.5Low62.9Low88 Ų88116.7 Ų116.738%0.38359%0.585SS.*Hα-helixtrans-59.8-53.3174.3-69.2179.8178.7-177.40111.4E418 S419 K420 T424 R425 E426E418-K422 WeakPolarHBondContact O-CG 3.21Å; E418-K422 PolarHBondContact O-N 3.16Å; S419-K422 WeakPolarHBondContact O-CB 3.46Å; S419-K422 PolarHBondContact O-N 3.39Å; K420-K422 VanDerWaalsContact C-N 3.3Å; K420-K422 PolarHBondContact O-N 3.19Å; K422-T424 PolarHBondContact O-N 2.99Å; K422-R425 PolarHBondContact O-N 3.49Å; K422-E426 PolarHBondContact O-N 3.48Å
423Y63.2Low60.4Low162 Ų162121.3 Ų121.364%0.63560%0.604SS**Hα-helixtrans-59.6-41.9178.4-81.5-73.7000113.3S419 K420 R425 E426 D427S419-Y423 VanDerWaalsContact O-CD2 3.3Å; S419-Y423 WeakPolarHBondContact O-CD2 3.06Å; S419-Y423 PolarHBondContact O-N 3.28Å; S419-Y423 VanDerWaalsContact O-N 3.1Å; K420-Y423 PolarHBondContact O-N 3.05Å; Y423-R425 PolarHBondContact O-N 3.24Å; Y423-E426 PolarHBondContact O-N 3.25Å; Y423-D427 PolarHBondContact O-N 3.22Å
424T62.5Low57.8Low93 Ų93124.7 Ų124.757%0.57162%0.62SS**Hα-helixtrans-67.1-18.8177.845.60000114.5K420 R421 K422K420-T424 PolarHBondContact O-N 3.35Å; K420-T424 PolarHBondContact O-OG1 3.5Å; R421-T424 WeakPolarHBondContact CA-OG1 3.48Å; R421-T424 PolarHBondContact O-OG1 3.43Å; K422-T424 PolarHBondContact O-N 2.99Å
425R55.1Low55.2Low191 Ų191130.7 Ų130.772%0.72164%0.64SS**Hα-helixtrans-81.5-31.5175.1-84.9-178.9166.5168.3-3.4112.6R421 K422 Y423R421-R425 PolarHBondContact O-N 3.49Å; K422-R425 PolarHBondContact O-N 3.49Å; Y423-R425 PolarHBondContact O-N 3.24Å
426E50.9Low52.8Low137 Ų137131.5 Ų131.564%0.6466%0.659SS**Hα-helixtrans-74.7-26177.5-68.4-179.6160.500112.5K422 Y423 V428K422-E426 PolarHBondContact O-N 3.48Å; Y423-E426 PolarHBondContact O-N 3.25Å; E426-V428 PolarHBondContact O-N 2.73Å
427D45.6Very low50.4Low135 Ų135137 Ų13772%0.72269%0.685SS**THydrogen-bonded Turntrans-86.45.6-178.2-79-27.1000115.5Y423 P429Y423-D427 PolarHBondContact O-N 3.22Å; D427-P429 VanDerWaalsContact O-CD 3.32Å; D427-P429 WeakPolarHBondContact O-CD 3.34Å
428V39.5Very low48.1Very low104 Ų104138.1 Ų138.163%0.6370%0.702SS**SBendtrans-92.1108.4171.1-177.10000108.3E426 L430E426-V428 PolarHBondContact O-N 2.73Å; V428-L430 PolarHBondContact O-N 3.09Å
429P35.2Very low45.8Very low105 Ų105140.2 Ų140.268%0.68272%0.718SS**  trans-59.8130.1170.3-12.626.9000107.3D427 L431D427-P429 VanDerWaalsContact O-CD 3.32Å; D427-P429 WeakPolarHBondContact O-CD 3.34Å; P429-L431 PolarHBondContact O-N 3.08Å
430L37.6Very low43.8Very low172 Ų172142.9 Ų142.990%0.90174%0.736SS**  trans-5591.9161-78.1156.6000106.8V428 Q432V428-L430 PolarHBondContact O-N 3.09Å; L430-Q432 PolarHBondContact O-N 3.25Å
431L32.5Very low41.5Very low158 Ų158143.1 Ų143.183%0.82775%0.749SS**  trans-56.8113.2158.7-78.4169.3000104.4P429 E433P429-L431 PolarHBondContact O-N 3.08Å; L431-E433 PolarHBondContact O-N 3.17Å
432Q31.6Very low39.3Very low169 Ų169141.3 Ų141.379%0.7976%0.761SS**  trans-48.9111.5165.7-74.2169.8-50.600106.4L430 D434L430-Q432 PolarHBondContact O-N 3.25Å; Q432-D434 PolarHBondContact O-N 2.64Å
433E32.5Very low37.7Very low199 Ų199140.6 Ų140.693%0.9378%0.778SS**  trans-66.287.3157.2-76.4-179.1172.800105.4L431 E435L431-E433 PolarHBondContact O-N 3.17Å; E433-E435 PolarHBondContact O-N 3.01Å
434D31.2Very low36.2Very low135 Ų135141.6 Ų141.672%0.72279%0.791SS**  trans-56.9116.4164-100.6-17.2000108.2Q432Q432-D434 PolarHBondContact O-N 2.64Å
435E29.6Very low34.5Very low189 Ų189148.3 Ų148.388%0.88381%0.806SS**  trans34.796.3144.8-58.7-168.5161.100117.6E433E433-E435 PolarHBondContact O-N 3.01Å
436G29.7Very low33.4Very low78 Ų78146.2 Ų146.280%0.80481%0.809SS**  trans-132.382.2169.900000113
437M31.8Very low32.4Very low191 Ų191149.7 Ų149.794%0.94182%0.822SS**  trans75108.8160.6-79.3-15216700121
438C32.7Very low31.8Very low123 Ų123149.9 Ų149.983%0.83182%0.822SS**  trans-59.1136.7153.5-69.90000112.9S440C438-S440 PolarHBondContact O-N 2.93Å
439D27.8Very low31.4Very low165 Ų165153 Ų15388%0.88283%0.83SS**  trans-62.9120153.7-79.9-42.1000110.5
440S34.6Very low31.3Very low109 Ų109156.8 Ų156.876%0.76284%0.838SS**  trans-164.490.3158.3-74.60000111.4C438C438-S440 PolarHBondContact O-N 2.93Å
441V29.3Very low31.2Very low141 Ų141156.2 Ų156.286%0.85584%0.835SS**  trans26.3113.7133.4-172.60000117.7
442S28.5Very low31.2Very low123 Ų123154.8 Ų154.886%0.8683%0.828SS**  143.1123.6127.461.60000113.3
443G30.1Very low31.5Very low73 Ų73150.3 Ų150.375%0.75383%0.827SS**  trans150.893.6163.300000114.7
444M31Very low31.8Very low183 Ų183147.9 Ų147.990%0.90182%0.816SS**  trans58110.2152.3-70.3160.4-167.900117
445R28.2Very low31.6Very low234 Ų234150.9 Ų150.988%0.88384%0.839SS**  29.682.851.7-93.4-171-177.7173.31.3111.9
446D31Very low31.7Very low147 Ų147149 Ų14979%0.78684%0.837SS**  trans162.9110.6130.7-77.2-18.1000108.3
447F30.8Very low31.8Very low211 Ų211152.7 Ų152.793%0.92584%0.838SS**  trans176.288.1138.3-104.4-78.2000108.3
448I32.7Very low31.8Very low139 Ų139150.6 Ų150.671%0.71383%0.833SS**  trans-78.6142.5157.1-77175000106.8
449E30.4Very low31.7Very low170 Ų170152.2 Ų152.279%0.79483%0.833SS**  trans60.2111.5160-72.4163.1-176.100118.4
450E34.3Very low32Very low184 Ų184151.4 Ų151.486%0.8683%0.83SS**  -177.1139117.1-105.3176.3162.800111.3
451L34.6Very low31.8Very low160 Ų160154.2 Ų154.284%0.83883%0.834SS**  trans83.181.4173.5-58.1159.7000114
452N33.5Very low32Very low127 Ų127155.1 Ų155.168%0.67983%0.833SS**  35.587.564.9-85.25.3000112.4E454N452-E454 HydrophobicContact CB-CG 4.37Å
453G37.8Very low32.3Very low75 Ų75157.6 Ų157.677%0.77383%0.83SS**  -105.4112.6107.700000105.6
454E39Very low32.4Very low149 Ų149164.7 Ų164.770%0.69684%0.837SS**  34.3132.454.5-71.6-161.5171.900113.6N452N452-E454 HydrophobicContact CB-CG 4.37Å
455V26.1Very low32.6Very low197 Ų197163 Ų163100%1.19483%0.831SS**  cis18.6014.2-165.30000118.7

Retrieved 455 of 455 residues in 88.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).