A0A077Z4C0_TRITR Loading...

Hepatocyte growth factor-regulated tyrosine kinase substrate

AlphaFold DB , UniProt , Accession A0A077Z4C0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 639 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.2Low85.3Confident151 Ų15183.6 Ų83.674%0.74438%0.384SS*.  0-75.90-53-54.1-109.800110.6K3 K4 E36M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.38Å; M1-K3 VanDerWaalsContact O-N 3.13Å; M1-K4 PolarHBondContact O-N 3.06Å; M1-E36 HydrophobicContact CE-CG 3.75Å; M1-E36 HydrophobicContact SD-CG 4.07Å
2S66.7Low86Confident44 Ų4476.7 Ų76.731%0.30835%0.352SS..Hα-helixtrans-52.2-39-175.6159.90000115.4K4 F5 E6S2-K4 VanDerWaalsContact C-N 3.29Å; S2-K4 PolarHBondContact O-N 3.37Å; S2-F5 WeakPolarHBondContact O-CB 3Å; S2-F5 PolarHBondContact O-N 3.25Å; S2-E6 WeakPolarHBondContact O-CG 3.35Å; S2-E6 PolarHBondContact O-N 3.4Å
3K80.6Confident86.7Confident155 Ų15570.8 Ų70.867%0.67433%0.325SS*.Hα-helixtrans-59.4-30.8178.2-65.7-172.8179.6-176.40115.2M1 R7M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.38Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-R7 VanDerWaalsContact O-CG 3.29Å; K3-R7 WeakPolarHBondContact O-CG 3.36Å; K3-R7 PolarHBondContact O-N 3.49Å; K3-R7 VanDerWaalsContact O-N 3.17Å
4K85.1Confident87.2Confident109 Ų10970.1 Ų70.147%0.47433%0.325SS..Hα-helixtrans-72.9-44.6178.6-178.5-168.7168.9-163.40109.9M1 S2 R7 L8 E36M1-K4 PolarHBondContact O-N 3.06Å; S2-K4 VanDerWaalsContact C-N 3.29Å; S2-K4 PolarHBondContact O-N 3.37Å; K4-R7 PolarHBondContact O-N 3.43Å; K4-L8 WeakPolarHBondContact O-CG 3.32Å; K4-L8 PolarHBondContact O-N 3.07Å; K4-E36 VanDerWaalsContact CD-OE1 3.23Å; K4-E36 WeakPolarHBondContact CD-OE1 3.37Å; K4-E36 IonicContact NZ-OE1 2.72Å; K4-E36 PolarHBondContact NZ-OE1 3.3Å; K4-E36 IonicContact NZ-OE2 3.44Å; K4-E36 PolarHBondContact NZ-OE2 2.9Å
5F90.7Very high87.4Confident2 Ų269.7 Ų69.71%0.00933%0.333CS..Hα-helixtrans-60.8-44.7174.8-179.1-98.3000111.8S2 R7 L8 L9 C28 A31 V32 V37 A42 V46S2-F5 WeakPolarHBondContact O-CB 3Å; S2-F5 PolarHBondContact O-N 3.25Å; F5-R7 VanDerWaalsContact C-N 3.34Å; F5-R7 PolarHBondContact O-N 3.18Å; F5-L8 PolarHBondContact O-N 2.93Å; F5-L8 VanDerWaalsContact O-N 3.13Å; F5-L9 HydrophobicContact CE1-CD2 4.19Å; F5-L9 WeakPolarHBondContact O-CB 3.38Å; F5-L9 PolarHBondContact O-N 2.84Å; F5-C28 HydrophobicContact CE2-CB 3.89Å; F5-A31 HydrophobicContact CD2-CB 4.15Å; F5-V32 HydrophobicContact CD2-CG2 4.35Å; F5-V32 HydrophobicContact CE2-CG2 3.77Å; F5-V32 HydrophobicContact CZ-CG2 4.37Å; F5-V37 HydrophobicContact CB-CG1 4.37Å; F5-V37 HydrophobicContact CB-CG2 3.6Å; F5-V37 HydrophobicContact CD1-CG1 4.39Å; F5-V37 HydrophobicContact CD2-CB 4.48Å; F5-V37 HydrophobicContact CD2-CG1 4.4Å; F5-V37 HydrophobicContact CD2-CG2 3.98Å; F5-V37 HydrophobicContact CG-CG1 4.12Å; F5-V37 HydrophobicContact CG-CG2 3.93Å; F5-A42 HydrophobicContact CE1-CB 3.87Å; F5-A42 HydrophobicContact CE2-CB 4.16Å; F5-A42 HydrophobicContact CZ-CB 3.62Å; F5-V46 HydrophobicContact CZ-CG2 4.4Å
6E92.4Very high87.7Confident65 Ų6572.6 Ų72.630%0.30436%0.357SS..Hα-helixtrans-58.5-45.4175.7-71.9179.5165.100111.2S2 L8 L9 D10S2-E6 WeakPolarHBondContact O-CG 3.35Å; S2-E6 PolarHBondContact O-N 3.4Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.31Å; E6-L9 CarbonylContact O-C 3.59Å; E6-L9 PolarHBondContact O-N 3.17Å; E6-D10 WeakPolarHBondContact O-CB 3.38Å; E6-D10 PolarHBondContact O-N 2.83Å
7R92.6Very high87.7Confident173 Ų17370.8 Ų70.865%0.65335%0.349SS*.Hα-helixtrans-61.6-35.8175.3-70.9171.4-173.1177.30114K3 K4 F5 K11K3-R7 VanDerWaalsContact O-CG 3.29Å; K3-R7 WeakPolarHBondContact O-CG 3.36Å; K3-R7 PolarHBondContact O-N 3.49Å; K3-R7 VanDerWaalsContact O-N 3.17Å; K4-R7 PolarHBondContact O-N 3.43Å; F5-R7 VanDerWaalsContact C-N 3.34Å; F5-R7 PolarHBondContact O-N 3.18Å; R7-K11 WeakPolarHBondContact O-CG 3.45Å; R7-K11 PolarHBondContact O-N 3.44Å
8L92.4Very high87.6Confident31 Ų3176.4 Ų76.416%0.16238%0.376CS..Hα-helixtrans-69.9-43.7175.9-69171.2000110.3K4 F5 E6 D10 K11 A12 M24 C28K4-L8 WeakPolarHBondContact O-CG 3.32Å; K4-L8 PolarHBondContact O-N 3.07Å; F5-L8 PolarHBondContact O-N 2.93Å; F5-L8 VanDerWaalsContact O-N 3.13Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.31Å; L8-D10 VanDerWaalsContact C-N 3.35Å; L8-D10 PolarHBondContact O-N 3.24Å; L8-K11 PolarHBondContact O-N 3.02Å; L8-A12 WeakPolarHBondContact O-CB 3.39Å; L8-A12 PolarHBondContact O-N 2.99Å; L8-M24 HydrophobicContact CD2-SD 4.31Å; L8-C28 VanDerWaalsContact CB-SG 3.56Å
9L94.8Very high87.6Confident2 Ų280.5 Ų80.51%0.0139%0.394CS..Hα-helixtrans-62.4-41.3176.1-178.364.8000111.8F5 E6 K11 A12 T13 V46 R49 V64F5-L9 HydrophobicContact CE1-CD2 4.19Å; F5-L9 WeakPolarHBondContact O-CB 3.38Å; F5-L9 PolarHBondContact O-N 2.84Å; E6-L9 CarbonylContact O-C 3.59Å; E6-L9 PolarHBondContact O-N 3.17Å; L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 3.38Å; L9-A12 PolarHBondContact O-N 3.36Å; L9-T13 HydrophobicContact CD1-CG2 3.84Å; L9-T13 HydrophobicContact CG-CG2 4.44Å; L9-T13 WeakPolarHBondContact O-CB 3.49Å; L9-T13 WeakPolarHBondContact O-CG2 3.41Å; L9-T13 PolarHBondContact O-N 3.05Å; L9-T13 PolarHBondContact O-OG1 3.48Å; L9-V46 HydrophobicContact CD1-CG2 3.93Å; L9-V46 HydrophobicContact CD2-CG2 4.12Å; L9-R49 HydrophobicContact CD2-CG 3.9Å; L9-R49 HydrophobicContact CG-CG 4.13Å; L9-V64 HydrophobicContact CD1-CB 4.4Å; L9-V64 HydrophobicContact CD1-CG1 3.93Å; L9-V64 HydrophobicContact CD1-CG2 4.29Å
10D94.2Very high87.8Confident64 Ų6477.7 Ų77.734%0.34239%0.385SS..Hα-helixtrans-60.2-41.1177.5-65.5-7.9000111E6 L8 T13 D14 R49E6-D10 WeakPolarHBondContact O-CB 3.38Å; E6-D10 PolarHBondContact O-N 2.83Å; L8-D10 VanDerWaalsContact C-N 3.35Å; L8-D10 PolarHBondContact O-N 3.24Å; D10-T13 CarbonylContact O-C 3.55Å; D10-D14 PolarHBondContact O-N 2.91Å; D10-R49 IonicContact OD1-CZ 2.69Å; D10-R49 VanDerWaalsContact OD1-CZ 3.28Å; D10-R49 IonicContact OD1-NE 2.9Å; D10-R49 PolarHBondContact OD1-NE 3.44Å; D10-R49 IonicContact OD1-NH2 3.28Å; D10-R49 PolarHBondContact OD1-NH2 2.95Å; D10-R49 IonicContact OD2-NH2 2.78Å
11K94.2Very high88Confident124 Ų12476.3 Ų76.354%0.53938%0.379SS..Hα-helixtrans-70.2-44.4174.7-70.2178.3176.6-167.60112.2R7 L8 L9 T13 D14 L17 M24R7-K11 WeakPolarHBondContact O-CG 3.45Å; R7-K11 PolarHBondContact O-N 3.44Å; L8-K11 PolarHBondContact O-N 3.02Å; L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 3.38Å; K11-T13 PolarHBondContact O-N 2.96Å; K11-D14 WeakPolarHBondContact O-CB 3.38Å; K11-D14 PolarHBondContact O-N 3.34Å; K11-L17 WeakPolarHBondContact O-CD1 3.28Å; K11-M24 HydrophobicContact CB-CG 4.24Å; K11-M24 HydrophobicContact CB-SD 4.3Å; K11-M24 HydrophobicContact CD-SD 4.05Å
12A94.3Very high89.8Confident0 Ų076 Ų760%037%0.37CS..Hα-helixtrans-66.4-22.1179.200000113.1L8 L9 M24 I25 V64L8-A12 WeakPolarHBondContact O-CB 3.39Å; L8-A12 PolarHBondContact O-N 2.99Å; L9-A12 PolarHBondContact O-N 3.36Å; A12-M24 HydrophobicContact CB-CB 3.87Å; A12-I25 HydrophobicContact CB-CG1 4.2Å; A12-V64 HydrophobicContact CB-CG2 4.07Å
13T95.3Very high91Very high0 Ų080.7 Ų80.70%039%0.387CS..THydrogen-bonded Turntrans-115.224.1-179.862.40000112.2L9 D10 K11 S15 V57 H60 A61 V64L9-T13 HydrophobicContact CD1-CG2 3.84Å; L9-T13 HydrophobicContact CG-CG2 4.44Å; L9-T13 WeakPolarHBondContact O-CB 3.49Å; L9-T13 WeakPolarHBondContact O-CG2 3.41Å; L9-T13 PolarHBondContact O-N 3.05Å; L9-T13 PolarHBondContact O-OG1 3.48Å; D10-T13 CarbonylContact O-C 3.55Å; K11-T13 PolarHBondContact O-N 2.96Å; T13-S15 PolarHBondContact O-N 3.14Å; T13-V57 WeakPolarHBondContact O-CG2 3.47Å; T13-H60 HydrophobicContact CG2-CB 4.26Å; T13-A61 HydrophobicContact CG2-CB 4.04Å; T13-V64 HydrophobicContact CG2-CG2 4.12Å
14D93.6Very high91.6Very high62 Ų6275 Ų7533%0.33236%0.363SS..  trans-65.3135.3179.5-170.4-75.4000110.8D10 K11 T16 L17D10-D14 PolarHBondContact O-N 2.91Å; K11-D14 WeakPolarHBondContact O-CB 3.38Å; K11-D14 PolarHBondContact O-N 3.34Å; D14-T16 PolarHBondContact O-N 3.43Å; D14-T16 WeakPolarHBondContact OD1-CA 3.42Å; D14-T16 VanDerWaalsContact OD1-CB 3.26Å; D14-T16 WeakPolarHBondContact OD1-CB 3.31Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.47Å; D14-T16 PolarHBondContact OD1-N 3.47Å; D14-T16 PolarHBondContact OD1-OG1 3.1Å; D14-L17 HydrophobicContact CB-CD1 4.25Å; D14-L17 HydrophobicContact CB-CG 4.17Å; D14-L17 PolarHBondContact O-N 3.24Å
15S90.8Very high92Very high64 Ų6469.8 Ų69.845%0.44834%0.34SS..THydrogen-bonded Turntrans-66.5-17.6-176.753.20000114.1T13 N54 H56T13-S15 PolarHBondContact O-N 3.14Å; S15-N54 WeakPolarHBondContact CB-ND2 3.34Å; S15-H56 PolarHBondContact O-ND1 3.16Å
16T91.1Very high92Very high116 Ų11673.1 Ų73.171%0.71236%0.357SS*.THydrogen-bonded Turntrans-89.5-11.3-178.568.30000113.6D14D14-T16 PolarHBondContact O-N 3.43Å; D14-T16 WeakPolarHBondContact OD1-CA 3.42Å; D14-T16 VanDerWaalsContact OD1-CB 3.26Å; D14-T16 WeakPolarHBondContact OD1-CB 3.31Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.47Å; D14-T16 PolarHBondContact OD1-N 3.47Å; D14-T16 PolarHBondContact OD1-OG1 3.1Å
17L88.9Confident91.9Very high42 Ų4272 Ų7222%0.2236%0.356CS..  trans-59.6142.5173.1-70.1173000109.2K11 D14 D21 H56K11-L17 WeakPolarHBondContact O-CD1 3.28Å; D14-L17 HydrophobicContact CB-CD1 4.25Å; D14-L17 HydrophobicContact CB-CG 4.17Å; D14-L17 PolarHBondContact O-N 3.24Å; L17-D21 HydrophobicContact CD1-CB 4.13Å; L17-D21 HydrophobicContact CD2-CB 4.37Å; L17-H56 PolarHBondContact O-CE1 3.02Å; L17-H56 PolarHBondContact O-NE2 3.43Å
18M85.3Confident91.9Very high171 Ų17163.8 Ų63.884%0.84233%0.325SS*.SBendtrans-96.7-30.4169.8-66.8-179.162.900110.9
19E88.3Confident91.9Very high154 Ų15462.3 Ų62.372%0.7232%0.317SS*.SBendtrans-129.7161.1-176.1-67.5-65.2158.800109.4D21E19-D21 PolarHBondContact O-N 3.31Å
20A90.3Very high91.5Very high25 Ų2566 Ų6621%0.20734%0.337CS..  trans-66.8125.6179.200000111.5W22 I25 T63A20-W22 PolarHBondContact O-N 3.48Å; A20-W22 VanDerWaalsContact O-N 3.08Å; A20-I25 HydrophobicContact CB-CD1 3.93Å; A20-T63 HydrophobicContact CB-CG2 4.16Å
21D91.8Very high91.2Very high48 Ų4863.2 Ų63.226%0.25732%0.323SS..  trans-79.988.2174-173.1-25.4000110.2L17 E19 E23 M24 I25L17-D21 HydrophobicContact CD1-CB 4.13Å; L17-D21 HydrophobicContact CD2-CB 4.37Å; E19-D21 PolarHBondContact O-N 3.31Å; D21-E23 PolarHBondContact O-N 3.43Å; D21-E23 WeakPolarHBondContact OD1-CB 3.32Å; D21-E23 PolarHBondContact OD1-N 3.31Å; D21-E23 VanDerWaalsContact OD1-N 3.17Å; D21-M24 HydrophobicContact CB-CB 4.25Å; D21-M24 HydrophobicContact CB-CG 4.33Å; D21-M24 VanDerWaalsContact CG-CG 3.42Å; D21-M24 PolarHBondContact O-N 2.91Å; D21-M24 PolarHBondContact OD1-N 3.03Å; D21-M24 WeakPolarHBondContact OD2-CG 3.46Å; D21-I25 WeakPolarHBondContact O-CB 3.47Å; D21-I25 WeakPolarHBondContact O-CD1 3.42Å; D21-I25 WeakPolarHBondContact O-CG1 3.48Å; D21-I25 PolarHBondContact O-N 3.32Å
22W92.3Very high90.9Very high145 Ų14557.4 Ų57.455%0.54930%0.298SS..Hα-helixtrans-62.9-26.5-178-72.4104.3000113.9A20 I25 M26 T63 A67A20-W22 PolarHBondContact O-N 3.48Å; A20-W22 VanDerWaalsContact O-N 3.08Å; W22-I25 HydrophobicContact CD2-CD1 4.43Å; W22-I25 HydrophobicContact CE3-CB 4.42Å; W22-I25 HydrophobicContact CE3-CD1 4.23Å; W22-I25 HydrophobicContact CE3-CG2 4.16Å; W22-I25 HydrophobicContact CZ3-CG2 4.28Å; W22-M26 VanDerWaalsContact O-CB 3.24Å; W22-M26 WeakPolarHBondContact O-CB 3.34Å; W22-M26 PolarHBondContact O-N 3Å; W22-T63 HydrophobicContact CH2-CG2 4.08Å; W22-T63 HydrophobicContact CZ2-CG2 4.33Å; W22-A67 HydrophobicContact CZ3-CB 4.44Å
23E92Very high90.5Very high143 Ų14359.8 Ų59.867%0.66831%0.307SS*.Hα-helixtrans-68.1-46176.8-173.3-177.6169.500110.3D21 S27D21-E23 PolarHBondContact O-N 3.43Å; D21-E23 WeakPolarHBondContact OD1-CB 3.32Å; D21-E23 PolarHBondContact OD1-N 3.31Å; D21-E23 VanDerWaalsContact OD1-N 3.17Å; E23-S27 WeakPolarHBondContact O-CB 3.36Å; E23-S27 PolarHBondContact O-N 3.45Å; E23-S27 PolarHBondContact O-OG 2.93Å
24M92.8Very high89.8Confident35 Ų3564 Ų6417%0.17234%0.337CS..Hα-helixtrans-69.6-38.4176-63-63.5136.600111.9L8 K11 A12 D21 S27 C28L8-M24 HydrophobicContact CD2-SD 4.31Å; K11-M24 HydrophobicContact CB-CG 4.24Å; K11-M24 HydrophobicContact CB-SD 4.3Å; K11-M24 HydrophobicContact CD-SD 4.05Å; A12-M24 HydrophobicContact CB-CB 3.87Å; D21-M24 HydrophobicContact CB-CB 4.25Å; D21-M24 HydrophobicContact CB-CG 4.33Å; D21-M24 VanDerWaalsContact CG-CG 3.42Å; D21-M24 PolarHBondContact O-N 2.91Å; D21-M24 PolarHBondContact OD1-N 3.03Å; D21-M24 WeakPolarHBondContact OD2-CG 3.46Å; M24-S27 WeakPolarHBondContact O-CB 3.23Å; M24-S27 PolarHBondContact O-N 3.47Å; M24-C28 PolarHBondContact O-N 3.03Å; M24-C28 PolarHBondContact O-SG 3.47Å
25I94.1Very high89.3Confident0 Ų063 Ų630%034%0.34CS..Hα-helixtrans-61.5-49175.1-68.4165.4000110.3A12 A20 D21 W22 S27 C28 T29 T63 V64 A67A12-I25 HydrophobicContact CB-CG1 4.2Å; A20-I25 HydrophobicContact CB-CD1 3.93Å; D21-I25 WeakPolarHBondContact O-CB 3.47Å; D21-I25 WeakPolarHBondContact O-CD1 3.42Å; D21-I25 WeakPolarHBondContact O-CG1 3.48Å; D21-I25 PolarHBondContact O-N 3.32Å; W22-I25 HydrophobicContact CD2-CD1 4.43Å; W22-I25 HydrophobicContact CE3-CB 4.42Å; W22-I25 HydrophobicContact CE3-CD1 4.23Å; W22-I25 HydrophobicContact CE3-CG2 4.16Å; W22-I25 HydrophobicContact CZ3-CG2 4.28Å; I25-S27 VanDerWaalsContact C-N 3.3Å; I25-S27 PolarHBondContact O-N 3.38Å; I25-C28 WeakPolarHBondContact O-CA 3.45Å; I25-C28 VanDerWaalsContact O-CB 3.28Å; I25-C28 WeakPolarHBondContact O-CB 3.42Å; I25-C28 PolarHBondContact O-N 3.15Å; I25-T29 WeakPolarHBondContact O-CG2 3.29Å; I25-T29 PolarHBondContact O-N 2.98Å; I25-T63 HydrophobicContact CD1-CG2 4.06Å; I25-V64 HydrophobicContact CG1-CG2 3.85Å; I25-A67 HydrophobicContact CG2-CB 3.35Å
26M90.4Very high89Confident72 Ų7262.4 Ų62.436%0.35533%0.33SS..Hα-helixtrans-63.6-39.6179.8-161.659.958.300110.9W22 C28 T29 D30W22-M26 VanDerWaalsContact O-CB 3.24Å; W22-M26 WeakPolarHBondContact O-CB 3.34Å; W22-M26 PolarHBondContact O-N 3Å; M26-C28 VanDerWaalsContact C-N 3.27Å; M26-C28 PolarHBondContact O-N 3.05Å; M26-T29 WeakPolarHBondContact CA-OG1 3.41Å; M26-T29 CarbonylContact O-C 3.59Å; M26-T29 WeakPolarHBondContact O-CA 3.26Å; M26-T29 PolarHBondContact O-N 3.43Å; M26-T29 PolarHBondContact O-OG1 2.89Å; M26-T29 PolarHBondContact SD-OG1 3.42Å; M26-D30 PolarHBondContact O-N 3.19Å
27S91.4Very high88.9Confident42 Ų4257 Ų5729%0.29430%0.297SS..Hα-helixtrans-58.7-36.6172.3-62.90000112.9E23 M24 I25 A31E23-S27 WeakPolarHBondContact O-CB 3.36Å; E23-S27 PolarHBondContact O-N 3.45Å; E23-S27 PolarHBondContact O-OG 2.93Å; M24-S27 WeakPolarHBondContact O-CB 3.23Å; M24-S27 PolarHBondContact O-N 3.47Å; I25-S27 VanDerWaalsContact C-N 3.3Å; I25-S27 PolarHBondContact O-N 3.38Å; S27-A31 PolarHBondContact O-N 2.88Å; S27-A31 VanDerWaalsContact O-N 3.16Å
28C92.7Very high89Confident0 Ų058.2 Ų58.20%031%0.308CS..Hα-helixtrans-66-44172.1-66.90000111.5F5 L8 M24 I25 M26 D30 A31 V32 V64F5-C28 HydrophobicContact CE2-CB 3.89Å; L8-C28 VanDerWaalsContact CB-SG 3.56Å; M24-C28 PolarHBondContact O-N 3.03Å; M24-C28 PolarHBondContact O-SG 3.47Å; I25-C28 WeakPolarHBondContact O-CA 3.45Å; I25-C28 VanDerWaalsContact O-CB 3.28Å; I25-C28 WeakPolarHBondContact O-CB 3.42Å; I25-C28 PolarHBondContact O-N 3.15Å; M26-C28 VanDerWaalsContact C-N 3.27Å; M26-C28 PolarHBondContact O-N 3.05Å; C28-D30 VanDerWaalsContact C-N 3.34Å; C28-D30 PolarHBondContact O-N 3.35Å; C28-A31 PolarHBondContact O-N 3.26Å; C28-V32 PolarHBondContact O-N 2.98Å; C28-V64 HydrophobicContact CB-CG1 4.44Å
29T91.1Very high89.2Confident0 Ų050.5 Ų50.50%027%0.27CS..Hα-helixtrans-63.5-39.6177.468.60000112.1I25 M26 A31 V32 R33 A67 L68 N71I25-T29 WeakPolarHBondContact O-CG2 3.29Å; I25-T29 PolarHBondContact O-N 2.98Å; M26-T29 WeakPolarHBondContact CA-OG1 3.41Å; M26-T29 CarbonylContact O-C 3.59Å; M26-T29 WeakPolarHBondContact O-CA 3.26Å; M26-T29 PolarHBondContact O-N 3.43Å; M26-T29 PolarHBondContact O-OG1 2.89Å; M26-T29 PolarHBondContact SD-OG1 3.42Å; T29-A31 VanDerWaalsContact C-N 3.35Å; T29-A31 PolarHBondContact O-N 3.44Å; T29-V32 PolarHBondContact O-N 3.08Å; T29-R33 VanDerWaalsContact O-CB 3.24Å; T29-R33 WeakPolarHBondContact O-CB 3.45Å; T29-R33 PolarHBondContact O-N 3.37Å; T29-A67 HydrophobicContact CG2-CB 3.83Å; T29-L68 HydrophobicContact CG2-CD2 4.12Å; T29-L68 HydrophobicContact CG2-CG 4.46Å; T29-N71 HydrophobicContact CG2-CB 4.28Å
30D87Confident89.4Confident78 Ų7849.7 Ų49.742%0.41726%0.264SS..Hα-helixtrans-66.3-36.7178.5-74.7-22.6000112M26 C28 V32 S34M26-D30 PolarHBondContact O-N 3.19Å; C28-D30 VanDerWaalsContact C-N 3.34Å; C28-D30 PolarHBondContact O-N 3.35Å; D30-V32 VanDerWaalsContact C-N 3.3Å; D30-V32 PolarHBondContact O-N 3.3Å; D30-S34 WeakPolarHBondContact O-CB 3.33Å; D30-S34 PolarHBondContact O-N 3.03Å; D30-S34 PolarHBondContact O-OG 3.04Å
31A87.5Confident89.5Confident6 Ų651.1 Ų51.15%0.0527%0.271CS..Hα-helixtrans-63.3-35.6174.900000112.4F5 S27 C28 T29 S34 E36 V37F5-A31 HydrophobicContact CD2-CB 4.15Å; S27-A31 PolarHBondContact O-N 2.88Å; S27-A31 VanDerWaalsContact O-N 3.16Å; C28-A31 PolarHBondContact O-N 3.26Å; T29-A31 VanDerWaalsContact C-N 3.35Å; T29-A31 PolarHBondContact O-N 3.44Å; A31-S34 PolarHBondContact O-OG 3.21Å; A31-E36 WeakPolarHBondContact O-CB 3.27Å; A31-E36 PolarHBondContact O-N 2.99Å; A31-E36 VanDerWaalsContact O-N 3.14Å; A31-V37 HydrophobicContact CB-CG2 4.05Å; A31-V37 PolarHBondContact O-N 3.17Å
32V88.6Confident89.6Confident2 Ų248.9 Ų48.91%0.01226%0.258CS..Hα-helixtrans-79.7-45.9176.5179.80000111.1F5 C28 T29 D30 S34 G35 V37 P39 A42 L68 C72 M76F5-V32 HydrophobicContact CD2-CG2 4.35Å; F5-V32 HydrophobicContact CE2-CG2 3.77Å; F5-V32 HydrophobicContact CZ-CG2 4.37Å; C28-V32 PolarHBondContact O-N 2.98Å; T29-V32 PolarHBondContact O-N 3.08Å; D30-V32 VanDerWaalsContact C-N 3.3Å; D30-V32 PolarHBondContact O-N 3.3Å; V32-S34 PolarHBondContact O-N 3.31Å; V32-G35 PolarHBondContact O-N 2.96Å; V32-V37 HydrophobicContact CG2-CB 4.24Å; V32-P39 HydrophobicContact CG1-CB 4.47Å; V32-P39 HydrophobicContact CG1-CG 4.05Å; V32-A42 HydrophobicContact CG2-CB 3.5Å; V32-L68 HydrophobicContact CB-CD2 4.05Å; V32-L68 HydrophobicContact CG2-CD2 3.73Å; V32-C72 HydrophobicContact CG1-CB 4.13Å; V32-M76 HydrophobicContact CG1-CE 3.84Å
33R84.8Confident89.8Confident51 Ų5142.5 Ų42.519%0.19224%0.235CC..Hα-helixtrans-61.2-42.2-179.3-177.9-176-79.9164.8-15.1112.2T29 G35 N71T29-R33 VanDerWaalsContact O-CB 3.24Å; T29-R33 WeakPolarHBondContact O-CB 3.45Å; T29-R33 PolarHBondContact O-N 3.37Å; R33-G35 PolarHBondContact O-N 2.85Å; R33-N71 VanDerWaalsContact CZ-O 3.27Å; R33-N71 PolarHBondContact NE-O 2.94Å; R33-N71 VanDerWaalsContact NH2-CA 3.29Å; R33-N71 PolarHBondContact NH2-O 3.2Å; R33-N71 PolarHBondContact NH2-OD1 3.04Å
34S82.1Confident89.9Confident89 Ų8938.6 Ų38.662%0.62222%0.224SC*.THydrogen-bonded Turntrans-67.9-11.2175.862.20000113.9D30 A31 V32 E36D30-S34 WeakPolarHBondContact O-CB 3.33Å; D30-S34 PolarHBondContact O-N 3.03Å; D30-S34 PolarHBondContact O-OG 3.04Å; A31-S34 PolarHBondContact O-OG 3.21Å; V32-S34 PolarHBondContact O-N 3.31Å; S34-E36 VanDerWaalsContact C-N 3.3Å
35G81.5Confident90Very high39 Ų3937.4 Ų37.440%0.40222%0.219SC..THydrogen-bonded Turntrans78.97.4-175.200000114.3V32 R33 V37V32-G35 PolarHBondContact O-N 2.96Å; R33-G35 PolarHBondContact O-N 2.85Å; G35-V37 PolarHBondContact O-N 2.86Å
36E85.2Confident90.1Very high52 Ų5237.4 Ų37.424%0.24322%0.219CC..SBendtrans-58.7-35.4172-171.7-178.5173.800110.8M1 K4 A31 S34M1-E36 HydrophobicContact CE-CG 3.75Å; M1-E36 HydrophobicContact SD-CG 4.07Å; K4-E36 VanDerWaalsContact CD-OE1 3.23Å; K4-E36 WeakPolarHBondContact CD-OE1 3.37Å; K4-E36 IonicContact NZ-OE1 2.72Å; K4-E36 PolarHBondContact NZ-OE1 3.3Å; K4-E36 IonicContact NZ-OE2 3.44Å; K4-E36 PolarHBondContact NZ-OE2 2.9Å; A31-E36 WeakPolarHBondContact O-CB 3.27Å; A31-E36 PolarHBondContact O-N 2.99Å; A31-E36 VanDerWaalsContact O-N 3.14Å; S34-E36 VanDerWaalsContact C-N 3.3Å
37V88.6Confident90.3Very high2 Ų238.5 Ų38.51%0.01222%0.219CC..SBendtrans-123.2123.8179.8-172.70000109.8F5 A31 V32 G35 V41 A42F5-V37 HydrophobicContact CB-CG1 4.37Å; F5-V37 HydrophobicContact CB-CG2 3.6Å; F5-V37 HydrophobicContact CD1-CG1 4.39Å; F5-V37 HydrophobicContact CD2-CB 4.48Å; F5-V37 HydrophobicContact CD2-CG1 4.4Å; F5-V37 HydrophobicContact CD2-CG2 3.98Å; F5-V37 HydrophobicContact CG-CG1 4.12Å; F5-V37 HydrophobicContact CG-CG2 3.93Å; A31-V37 HydrophobicContact CB-CG2 4.05Å; A31-V37 PolarHBondContact O-N 3.17Å; V32-V37 HydrophobicContact CG2-CB 4.24Å; G35-V37 PolarHBondContact O-N 2.86Å; V37-V41 HydrophobicContact CG1-CB 4.43Å; V37-V41 HydrophobicContact CG1-CG1 4.5Å; V37-A42 HydrophobicContact CG1-CB 3.94Å
38P90.6Very high90.5Very high69 Ų6943.8 Ų43.845%0.44824%0.237SC..  trans-61.7135.8172.5-22.733.4000111.4K40 V41 A42P38-K40 VanDerWaalsContact C-N 3.28Å; P38-K40 PolarHBondContact O-N 3.45Å; P38-V41 HydrophobicContact CB-CG2 4.18Å; P38-V41 HydrophobicContact CG-CG2 4.31Å; P38-V41 PolarHBondContact O-N 2.89Å; P38-A42 PolarHBondContact O-N 3.35Å
39P90.7Very high90.6Very high9 Ų947.5 Ų47.56%0.05825%0.25CS..Hα-helixtrans-50.3-42.9-179.9-32.637.9000114.3V32 V41 A42 L43 R75 M76 E79V32-P39 HydrophobicContact CG1-CB 4.47Å; V32-P39 HydrophobicContact CG1-CG 4.05Å; P39-V41 VanDerWaalsContact C-N 3.32Å; P39-V41 PolarHBondContact O-N 3.49Å; P39-A42 PolarHBondContact O-N 2.96Å; P39-L43 WeakPolarHBondContact O-CB 3.48Å; P39-L43 PolarHBondContact O-N 3.4Å; P39-R75 HydrophobicContact CG-CB 3.9Å; P39-M76 HydrophobicContact CB-CE 3.88Å; P39-M76 HydrophobicContact CB-SD 4.49Å; P39-E79 HydrophobicContact CB-CG 4.04Å
40K92.4Very high90.8Very high136 Ų13647.7 Ų47.759%0.59125%0.251SS*.Hα-helixtrans-56.9-41.4176.1-172.5166.2-175.3167.60113.8P38 S44 E79P38-K40 VanDerWaalsContact C-N 3.28Å; P38-K40 PolarHBondContact O-N 3.45Å; K40-S44 WeakPolarHBondContact O-CB 3.39Å; K40-S44 PolarHBondContact O-N 2.9Å; K40-S44 PolarHBondContact O-OG 3.37Å; K40-E79 HydrophobicContact CB-CG 4.5Å; K40-E79 WeakPolarHBondContact CB-OE2 3.31Å; K40-E79 WeakPolarHBondContact CG-OE2 3.47Å
41V93Very high91.2Very high56 Ų5647.9 Ų47.934%0.33925%0.25SC..Hα-helixtrans-71.6-43178.6178.40000109.9V37 P38 P39 S44 S45V37-V41 HydrophobicContact CG1-CB 4.43Å; V37-V41 HydrophobicContact CG1-CG1 4.5Å; P38-V41 HydrophobicContact CB-CG2 4.18Å; P38-V41 HydrophobicContact CG-CG2 4.31Å; P38-V41 PolarHBondContact O-N 2.89Å; P39-V41 VanDerWaalsContact C-N 3.32Å; P39-V41 PolarHBondContact O-N 3.49Å; V41-S44 PolarHBondContact O-N 3.07Å; V41-S45 PolarHBondContact O-N 2.99Å; V41-S45 PolarHBondContact O-OG 3.47Å
42A93.9Very high91.4Very high0 Ų049.2 Ų49.20%026%0.259CS..Hα-helixtrans-60-49.2176.500000111.8F5 V32 V37 P38 P39 S44 S45 V46 M76F5-A42 HydrophobicContact CE1-CB 3.87Å; F5-A42 HydrophobicContact CE2-CB 4.16Å; F5-A42 HydrophobicContact CZ-CB 3.62Å; V32-A42 HydrophobicContact CG2-CB 3.5Å; V37-A42 HydrophobicContact CG1-CB 3.94Å; P38-A42 PolarHBondContact O-N 3.35Å; P39-A42 PolarHBondContact O-N 2.96Å; A42-S44 VanDerWaalsContact C-N 3.3Å; A42-S44 PolarHBondContact O-N 3.02Å; A42-S45 PolarHBondContact O-N 3.39Å; A42-S45 VanDerWaalsContact O-N 3.17Å; A42-V46 WeakPolarHBondContact O-CG2 3.33Å; A42-V46 PolarHBondContact O-N 2.98Å; A42-M76 HydrophobicContact CB-CE 4.42Å
43L94.7Very high91.4Very high12 Ų1257.4 Ų57.46%0.06330%0.302CS..Hα-helixtrans-60-40.5176.9-174.963.4000111.4P39 S45 V46 R47 L65 E79 V80 F85P39-L43 WeakPolarHBondContact O-CB 3.48Å; P39-L43 PolarHBondContact O-N 3.4Å; L43-S45 PolarHBondContact O-N 3.35Å; L43-V46 PolarHBondContact O-N 3Å; L43-R47 VanDerWaalsContact O-CB 3.24Å; L43-R47 WeakPolarHBondContact O-CB 3.46Å; L43-R47 PolarHBondContact O-N 3.09Å; L43-L65 HydrophobicContact CD1-CD1 3.52Å; L43-E79 HydrophobicContact CD2-CB 3.66Å; L43-E79 WeakPolarHBondContact CD2-O 3.46Å; L43-V80 HydrophobicContact CD1-CG2 4.01Å; L43-V80 HydrophobicContact CD2-CG2 4.2Å; L43-F85 HydrophobicContact CD1-CD2 4.43Å; L43-F85 HydrophobicContact CD1-CE1 4.38Å; L43-F85 HydrophobicContact CD1-CE2 3.81Å; L43-F85 HydrophobicContact CD1-CZ 3.78Å; L43-F85 HydrophobicContact CD2-CD2 4.25Å; L43-F85 HydrophobicContact CD2-CE2 4.43Å; L43-F85 HydrophobicContact CD2-CG 4.47Å; L43-F85 HydrophobicContact CG-CD2 4.46Å; L43-F85 HydrophobicContact CG-CE2 4.23Å
44S94.5Very high91.8Very high61 Ų6158 Ų5843%0.42731%0.309SS..Hα-helixtrans-62.6-40.8176.1-61.40000112.6K40 V41 A42 K48K40-S44 WeakPolarHBondContact O-CB 3.39Å; K40-S44 PolarHBondContact O-N 2.9Å; K40-S44 PolarHBondContact O-OG 3.37Å; V41-S44 PolarHBondContact O-N 3.07Å; A42-S44 VanDerWaalsContact C-N 3.3Å; A42-S44 PolarHBondContact O-N 3.02Å; S44-K48 WeakPolarHBondContact O-CG 3.34Å; S44-K48 PolarHBondContact O-N 3.35Å
45S95Very high92.2Very high9 Ų956.8 Ų56.86%0.06330%0.3CS..Hα-helixtrans-68.8-40.5176.3-67.10000112V41 A42 L43 K48 R49V41-S45 PolarHBondContact O-N 2.99Å; V41-S45 PolarHBondContact O-OG 3.47Å; A42-S45 PolarHBondContact O-N 3.39Å; A42-S45 VanDerWaalsContact O-N 3.17Å; L43-S45 PolarHBondContact O-N 3.35Å; S45-K48 PolarHBondContact O-N 2.92Å; S45-R49 PolarHBondContact O-N 3.48Å
46V96.6Very high92.7Very high0 Ų057.7 Ų57.70%029%0.293CS..Hα-helixtrans-65.9-42.9175.51740000110.9F5 L9 A42 L43 K48 R49 I50 A61 V64 L65 L68F5-V46 HydrophobicContact CZ-CG2 4.4Å; L9-V46 HydrophobicContact CD1-CG2 3.93Å; L9-V46 HydrophobicContact CD2-CG2 4.12Å; A42-V46 WeakPolarHBondContact O-CG2 3.33Å; A42-V46 PolarHBondContact O-N 2.98Å; L43-V46 PolarHBondContact O-N 3Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.36Å; V46-R49 CarbonylContact O-C 3.59Å; V46-R49 WeakPolarHBondContact O-CA 3.28Å; V46-R49 WeakPolarHBondContact O-CB 3.28Å; V46-R49 PolarHBondContact O-N 3.03Å; V46-I50 HydrophobicContact CG1-CD1 3.9Å; V46-I50 HydrophobicContact CG1-CG1 4.26Å; V46-I50 WeakPolarHBondContact O-CG1 3.31Å; V46-I50 PolarHBondContact O-N 2.92Å; V46-A61 WeakPolarHBondContact CG1-O 3.24Å; V46-V64 HydrophobicContact CG2-CG1 4.25Å; V46-L65 HydrophobicContact CG1-CB 3.99Å; V46-L68 HydrophobicContact CG2-CD1 3.85Å
47R94.8Very high93.1Very high96 Ų9655.7 Ų55.736%0.36228%0.284SS..Hα-helixtrans-55.5-41.7175.9-175.6179.8178.9-171.9-1.6112.2L43 R49 I50 H51 D88L43-R47 VanDerWaalsContact O-CB 3.24Å; L43-R47 WeakPolarHBondContact O-CB 3.46Å; L43-R47 PolarHBondContact O-N 3.09Å; R47-R49 PolarHBondContact O-N 2.97Å; R47-I50 PolarHBondContact O-N 2.98Å; R47-H51 PolarHBondContact O-N 3.14Å; R47-H51 PolarHBondContact O-ND1 3.4Å; R47-D88 IonicContact CZ-OD1 3.47Å; R47-D88 IonicContact CZ-OD2 2.58Å; R47-D88 VanDerWaalsContact CZ-OD2 3.3Å; R47-D88 IonicContact NE-OD1 3.38Å; R47-D88 IonicContact NE-OD2 2.64Å; R47-D88 PolarHBondContact NE-OD2 3.35Å; R47-D88 IonicContact NH2-OD1 3.61Å; R47-D88 PolarHBondContact NH2-OD1 2.95Å; R47-D88 IonicContact NH2-OD2 2.86Å; R47-D88 PolarHBondContact NH2-OD2 3.43Å
48K94.9Very high93.5Very high153 Ų15355.8 Ų55.867%0.66529%0.285SS*.Hα-helixtrans-60.8-33.7174.9-70.6174.2-176.6178.50112.9S44 S45 V46S44-K48 WeakPolarHBondContact O-CG 3.34Å; S44-K48 PolarHBondContact O-N 3.35Å; S45-K48 PolarHBondContact O-N 2.92Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.36Å
49R94.7Very high93.7Very high77 Ų7755.3 Ų55.329%0.29128%0.277SS..Hα-helixtrans-79-33178.1-66.3-72.2-176.5170.6-13.9112.3L9 D10 S45 V46 R47 H51 S52 A61L9-R49 HydrophobicContact CD2-CG 3.9Å; L9-R49 HydrophobicContact CG-CG 4.13Å; D10-R49 IonicContact OD1-CZ 2.69Å; D10-R49 VanDerWaalsContact OD1-CZ 3.28Å; D10-R49 IonicContact OD1-NE 2.9Å; D10-R49 PolarHBondContact OD1-NE 3.44Å; D10-R49 IonicContact OD1-NH2 3.28Å; D10-R49 PolarHBondContact OD1-NH2 2.95Å; D10-R49 IonicContact OD2-NH2 2.78Å; S45-R49 PolarHBondContact O-N 3.48Å; V46-R49 CarbonylContact O-C 3.59Å; V46-R49 WeakPolarHBondContact O-CA 3.28Å; V46-R49 WeakPolarHBondContact O-CB 3.28Å; V46-R49 PolarHBondContact O-N 3.03Å; R47-R49 PolarHBondContact O-N 2.97Å; R49-H51 VanDerWaalsContact C-N 3.26Å; R49-H51 PolarHBondContact O-N 2.97Å; R49-S52 VanDerWaalsContact O-CB 3.27Å; R49-S52 WeakPolarHBondContact O-CB 3.38Å; R49-S52 PolarHBondContact O-N 3.39Å; R49-S52 PolarHBondContact O-OG 3.18Å; R49-A61 HydrophobicContact CB-CB 3.57Å
50I96Very high93.9Very high4 Ų455.2 Ų55.22%0.02128%0.276CS..Hα-helixtrans-61.6-36.6172.2-69.5171.2000111.1V46 R47 S52 A58 A61 L62 L65 L92V46-I50 HydrophobicContact CG1-CD1 3.9Å; V46-I50 HydrophobicContact CG1-CG1 4.26Å; V46-I50 WeakPolarHBondContact O-CG1 3.31Å; V46-I50 PolarHBondContact O-N 2.92Å; R47-I50 PolarHBondContact O-N 2.98Å; I50-S52 PolarHBondContact O-N 3.23Å; I50-A58 VanDerWaalsContact O-CB 3.24Å; I50-A58 WeakPolarHBondContact O-CB 3.34Å; I50-A61 HydrophobicContact CG1-CB 3.67Å; I50-L62 HydrophobicContact CD1-CD2 3.78Å; I50-L62 HydrophobicContact CD1-CG 4.49Å; I50-L62 HydrophobicContact CG1-CD2 4.05Å; I50-L62 HydrophobicContact CG1-CG 4.27Å; I50-L62 HydrophobicContact CG2-CD2 4.3Å; I50-L65 HydrophobicContact CD1-CD2 3.87Å; I50-L92 HydrophobicContact CG2-CD2 3.16Å
51H94.4Very high94.2Very high82 Ų8248.7 Ų48.738%0.3825%0.248SC..THydrogen-bonded Turntrans-85.817177.2-67.778000113.9R47 R49 D88R47-H51 PolarHBondContact O-N 3.14Å; R47-H51 PolarHBondContact O-ND1 3.4Å; R49-H51 VanDerWaalsContact C-N 3.26Å; R49-H51 PolarHBondContact O-N 2.97Å; H51-D88 IonicContact CE1-OD1 3.81Å; H51-D88 IonicContact CE1-OD2 3.28Å; H51-D88 PolarHBondContact CE1-OD2 2.96Å; H51-D88 IonicContact NE2-OD1 3.3Å; H51-D88 PolarHBondContact NE2-OD1 3.3Å; H51-D88 IonicContact NE2-OD2 3.59Å
52S92.4Very high94.4Very high34 Ų3446.1 Ų46.124%0.23823%0.232CC..  trans-72.3144.7177.5690000111.2R49 I50 N54 V57 A58R49-S52 VanDerWaalsContact O-CB 3.27Å; R49-S52 WeakPolarHBondContact O-CB 3.38Å; R49-S52 PolarHBondContact O-N 3.39Å; R49-S52 PolarHBondContact O-OG 3.18Å; I50-S52 PolarHBondContact O-N 3.23Å; S52-N54 PolarHBondContact O-N 2.88Å; S52-N54 VanDerWaalsContact O-N 3.09Å; S52-N54 PolarHBondContact OG-O 2.93Å; S52-V57 VanDerWaalsContact OG-CB 3.31Å; S52-V57 WeakPolarHBondContact OG-CB 3.49Å; S52-V57 WeakPolarHBondContact OG-CG1 3.34Å; S52-A58 PolarHBondContact OG-N 3.4Å
53D89.8Confident94.5Very high174 Ų17446.6 Ų46.693%0.9324%0.235SC*.SBendtrans-59.8-23175.2-56.8-38.9000113.3P55D53-P55 WeakPolarHBondContact O-CD 3.49Å
54N91.7Very high94.6Very high63 Ų6346 Ų4634%0.33723%0.232SC..SBendtrans-85.9113.9177.5-171.8-28.2000110.2S15 S52 H56 V57 A58S15-N54 WeakPolarHBondContact CB-ND2 3.34Å; S52-N54 PolarHBondContact O-N 2.88Å; S52-N54 VanDerWaalsContact O-N 3.09Å; S52-N54 PolarHBondContact OG-O 2.93Å; N54-H56 PolarHBondContact O-N 3.46Å; N54-H56 VanDerWaalsContact O-N 3.14Å; N54-H56 WeakPolarHBondContact OD1-CB 3.4Å; N54-H56 PolarHBondContact OD1-N 2.94Å; N54-V57 HydrophobicContact CB-CB 4.13Å; N54-V57 HydrophobicContact CB-CG2 3.81Å; N54-V57 PolarHBondContact O-N 3.34Å; N54-V57 VanDerWaalsContact O-N 3.1Å; N54-A58 PolarHBondContact O-N 3.43Å; N54-A58 VanDerWaalsContact O-N 3.09Å
55P91.1Very high94.6Very high65 Ų6543.1 Ų43.142%0.42221%0.211SC..Hα-helixtrans-61.8-27.5-177.925.5-35000112.7D53 H59 S97 V100D53-P55 WeakPolarHBondContact O-CD 3.49Å; P55-H59 WeakPolarHBondContact O-CB 3.5Å; P55-H59 PolarHBondContact O-N 2.88Å; P55-S97 WeakPolarHBondContact CB-OG 3.35Å; P55-V100 HydrophobicContact CB-CG2 4.24Å; P55-V100 WeakPolarHBondContact O-CG2 3.4Å
56H91.1Very high94.6Very high57 Ų5743.8 Ų43.826%0.26421%0.213SC..Hα-helixtrans-70.9-40.1178.4-170.9-98.1000111.9S15 L17 N54 H59 H60S15-H56 PolarHBondContact O-ND1 3.16Å; L17-H56 PolarHBondContact O-CE1 3.02Å; L17-H56 PolarHBondContact O-NE2 3.43Å; N54-H56 PolarHBondContact O-N 3.46Å; N54-H56 VanDerWaalsContact O-N 3.14Å; N54-H56 WeakPolarHBondContact OD1-CB 3.4Å; N54-H56 PolarHBondContact OD1-N 2.94Å; H56-H59 PolarHBondContact O-N 2.82Å; H56-H60 AromaticContact CD2-NE2 3.94Å; H56-H60 AromaticContact CE1-CD2 3.13Å; H56-H60 PolarHBondContact CE1-CD2 2.9Å; H56-H60 AromaticContact CE1-NE2 2.83Å; H56-H60 PolarHBondContact CE1-NE2 3.4Å; H56-H60 AromaticContact ND1-CD2 3.49Å; H56-H60 PolarHBondContact ND1-CD2 3.48Å; H56-H60 AromaticContact ND1-NE2 3.66Å; H56-H60 AromaticContact NE2-CD2 3.62Å; H56-H60 AromaticContact NE2-NE2 3Å; H56-H60 PolarHBondContact NE2-NE2 3.22Å; H56-H60 PolarHBondContact O-CD2 3.22Å; H56-H60 PolarHBondContact O-N 3.05Å
57V95Very high94.4Very high10 Ų1044 Ų446%0.06122%0.215CC..Hα-helixtrans-65.9-43174.2174.50000110.2T13 S52 N54 H59 H60 A61T13-V57 WeakPolarHBondContact O-CG2 3.47Å; S52-V57 VanDerWaalsContact OG-CB 3.31Å; S52-V57 WeakPolarHBondContact OG-CB 3.49Å; S52-V57 WeakPolarHBondContact OG-CG1 3.34Å; N54-V57 HydrophobicContact CB-CB 4.13Å; N54-V57 HydrophobicContact CB-CG2 3.81Å; N54-V57 PolarHBondContact O-N 3.34Å; N54-V57 VanDerWaalsContact O-N 3.1Å; V57-H59 PolarHBondContact O-N 3.2Å; V57-H60 PolarHBondContact O-N 3.04Å; V57-A61 WeakPolarHBondContact O-CB 3.47Å; V57-A61 PolarHBondContact O-N 2.79Å
58A95.6Very high94.3Very high4 Ų439.4 Ų39.43%0.03320%0.198CC..Hα-helixtrans-60-44.5175.800000112.1I50 S52 N54 A61 L62 V100I50-A58 VanDerWaalsContact O-CB 3.24Å; I50-A58 WeakPolarHBondContact O-CB 3.34Å; S52-A58 PolarHBondContact OG-N 3.4Å; N54-A58 PolarHBondContact O-N 3.43Å; N54-A58 VanDerWaalsContact O-N 3.09Å; A58-A61 WeakPolarHBondContact O-CB 3.33Å; A58-A61 PolarHBondContact O-N 2.97Å; A58-L62 WeakPolarHBondContact O-CG 3.29Å; A58-L62 PolarHBondContact O-N 2.99Å; A58-V100 HydrophobicContact CB-CG1 4.34Å; A58-V100 HydrophobicContact CB-CG2 4.13Å
59H95.3Very high94.1Very high60 Ų6032.1 Ų32.128%0.27817%0.166SC..Hα-helixtrans-61.4-48.1176.7-178.4-84.1000112.2P55 H56 V57 A61 L62 T63 V100P55-H59 WeakPolarHBondContact O-CB 3.5Å; P55-H59 PolarHBondContact O-N 2.88Å; H56-H59 PolarHBondContact O-N 2.82Å; V57-H59 PolarHBondContact O-N 3.2Å; H59-A61 VanDerWaalsContact C-N 3.28Å; H59-A61 PolarHBondContact O-N 3.38Å; H59-L62 WeakPolarHBondContact O-CB 3.4Å; H59-L62 PolarHBondContact O-N 3.47Å; H59-L62 VanDerWaalsContact O-N 3.12Å; H59-T63 PolarHBondContact O-N 3.5Å; H59-T63 PolarHBondContact O-OG1 3.25Å; H59-V100 HydrophobicContact CB-CG2 4.24Å
60H95.8Very high93.8Very high6 Ų630.2 Ų30.23%0.02816%0.16CC..Hα-helixtrans-63.2-35.3175.9-76.4-53.5000112.8T13 H56 V57 L62 T63 V64T13-H60 HydrophobicContact CG2-CB 4.26Å; H56-H60 AromaticContact CD2-NE2 3.94Å; H56-H60 AromaticContact CE1-CD2 3.13Å; H56-H60 PolarHBondContact CE1-CD2 2.9Å; H56-H60 AromaticContact CE1-NE2 2.83Å; H56-H60 PolarHBondContact CE1-NE2 3.4Å; H56-H60 AromaticContact ND1-CD2 3.49Å; H56-H60 PolarHBondContact ND1-CD2 3.48Å; H56-H60 AromaticContact ND1-NE2 3.66Å; H56-H60 AromaticContact NE2-CD2 3.62Å; H56-H60 AromaticContact NE2-NE2 3Å; H56-H60 PolarHBondContact NE2-NE2 3.22Å; H56-H60 PolarHBondContact O-CD2 3.22Å; H56-H60 PolarHBondContact O-N 3.05Å; V57-H60 PolarHBondContact O-N 3.04Å; H60-L62 VanDerWaalsContact C-N 3.3Å; H60-L62 PolarHBondContact O-N 2.99Å; H60-T63 WeakPolarHBondContact O-CB 3.39Å; H60-T63 PolarHBondContact O-N 3.39Å; H60-V64 VanDerWaalsContact O-CG2 3.24Å; H60-V64 WeakPolarHBondContact O-CG2 3.43Å; H60-V64 PolarHBondContact O-N 3.37Å
61A97.2Very high93.4Very high0 Ų031 Ų310%017%0.165CC..Hα-helixtrans-63.3-36.5174.400000112.2T13 V46 R49 I50 V57 A58 H59 V64 L65T13-A61 HydrophobicContact CG2-CB 4.04Å; V46-A61 WeakPolarHBondContact CG1-O 3.24Å; R49-A61 HydrophobicContact CB-CB 3.57Å; I50-A61 HydrophobicContact CG1-CB 3.67Å; V57-A61 WeakPolarHBondContact O-CB 3.47Å; V57-A61 PolarHBondContact O-N 2.79Å; A58-A61 WeakPolarHBondContact O-CB 3.33Å; A58-A61 PolarHBondContact O-N 2.97Å; H59-A61 VanDerWaalsContact C-N 3.28Å; H59-A61 PolarHBondContact O-N 3.38Å; A61-V64 PolarHBondContact O-N 3.37Å; A61-L65 WeakPolarHBondContact O-CB 3.5Å; A61-L65 PolarHBondContact O-N 3.42Å
62L97.2Very high93Very high1 Ų127.3 Ų27.31%0.00515%0.148CC..Hα-helixtrans-66.9-37.9172.1-68.5168.8000112.1I50 A58 H59 H60 L65 E66 V100 K103 I104 L107I50-L62 HydrophobicContact CD1-CD2 3.78Å; I50-L62 HydrophobicContact CD1-CG 4.49Å; I50-L62 HydrophobicContact CG1-CD2 4.05Å; I50-L62 HydrophobicContact CG1-CG 4.27Å; I50-L62 HydrophobicContact CG2-CD2 4.3Å; A58-L62 WeakPolarHBondContact O-CG 3.29Å; A58-L62 PolarHBondContact O-N 2.99Å; H59-L62 WeakPolarHBondContact O-CB 3.4Å; H59-L62 PolarHBondContact O-N 3.47Å; H59-L62 VanDerWaalsContact O-N 3.12Å; H60-L62 VanDerWaalsContact C-N 3.3Å; H60-L62 PolarHBondContact O-N 2.99Å; L62-L65 HydrophobicContact CD2-CD2 4.43Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.12Å; L62-E66 PolarHBondContact O-N 2.71Å; L62-V100 HydrophobicContact CD1-CG1 3.8Å; L62-K103 HydrophobicContact CB-CG 3.94Å; L62-K103 HydrophobicContact CD1-CB 4.09Å; L62-K103 HydrophobicContact CD1-CG 4.14Å; L62-I104 HydrophobicContact CD1-CD1 4.37Å; L62-I104 HydrophobicContact CD1-CG1 3.66Å; L62-I104 HydrophobicContact CD2-CG1 3.99Å; L62-L107 HydrophobicContact CB-CD1 4.07Å; L62-L107 HydrophobicContact CD2-CD1 4.11Å
63T95.8Very high92.5Very high10 Ų1025.8 Ų25.86%0.06114%0.137CC..Hα-helixtrans-63.6-41173.2-51.50000111.7A20 W22 I25 H59 H60 L65 E66 A67A20-T63 HydrophobicContact CB-CG2 4.16Å; W22-T63 HydrophobicContact CH2-CG2 4.08Å; W22-T63 HydrophobicContact CZ2-CG2 4.33Å; I25-T63 HydrophobicContact CD1-CG2 4.06Å; H59-T63 PolarHBondContact O-N 3.5Å; H59-T63 PolarHBondContact O-OG1 3.25Å; H60-T63 WeakPolarHBondContact O-CB 3.39Å; H60-T63 PolarHBondContact O-N 3.39Å; T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 PolarHBondContact O-N 3.5Å; T63-E66 WeakPolarHBondContact O-CB 3.45Å; T63-E66 PolarHBondContact O-N 3.06Å; T63-A67 PolarHBondContact O-N 2.91Å
64V96.8Very high92.2Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-63.3-42.3174178.80000110.2L9 A12 T13 I25 C28 V46 H60 A61 E66 A67 L68L9-V64 HydrophobicContact CD1-CB 4.4Å; L9-V64 HydrophobicContact CD1-CG1 3.93Å; L9-V64 HydrophobicContact CD1-CG2 4.29Å; A12-V64 HydrophobicContact CB-CG2 4.07Å; T13-V64 HydrophobicContact CG2-CG2 4.12Å; I25-V64 HydrophobicContact CG1-CG2 3.85Å; C28-V64 HydrophobicContact CB-CG1 4.44Å; V46-V64 HydrophobicContact CG2-CG1 4.25Å; H60-V64 VanDerWaalsContact O-CG2 3.24Å; H60-V64 WeakPolarHBondContact O-CG2 3.43Å; H60-V64 PolarHBondContact O-N 3.37Å; A61-V64 PolarHBondContact O-N 3.37Å; V64-E66 VanDerWaalsContact C-N 3.35Å; V64-E66 PolarHBondContact O-N 3.01Å; V64-A67 PolarHBondContact O-N 3.41Å; V64-L68 HydrophobicContact CG1-CD1 4.12Å; V64-L68 HydrophobicContact CG1-CG 4.41Å; V64-L68 WeakPolarHBondContact O-CB 3.23Å; V64-L68 VanDerWaalsContact O-CG 3.29Å; V64-L68 WeakPolarHBondContact O-CG 3.24Å; V64-L68 PolarHBondContact O-N 2.87Å
65L96.3Very high92Very high0 Ų024.6 Ų24.60%012%0.12CC..Hα-helixtrans-59.9-44.7175.8-179.459.8000111.7L43 V46 I50 A61 L62 T63 A67 L68 V69 V80 F85 W111L43-L65 HydrophobicContact CD1-CD1 3.52Å; V46-L65 HydrophobicContact CG1-CB 3.99Å; I50-L65 HydrophobicContact CD1-CD2 3.87Å; A61-L65 WeakPolarHBondContact O-CB 3.5Å; A61-L65 PolarHBondContact O-N 3.42Å; L62-L65 HydrophobicContact CD2-CD2 4.43Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.12Å; T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 PolarHBondContact O-N 3.5Å; L65-A67 PolarHBondContact O-N 2.87Å; L65-L68 WeakPolarHBondContact O-CB 3.47Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-V69 HydrophobicContact CD1-CG2 4.3Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 3.07Å; L65-V80 HydrophobicContact CD1-CG2 4.1Å; L65-F85 HydrophobicContact CD1-CZ 4.5Å; L65-F85 HydrophobicContact CD2-CE1 4.08Å; L65-F85 HydrophobicContact CD2-CZ 3.67Å; L65-W111 HydrophobicContact CD2-CH2 3.73Å; L65-W111 HydrophobicContact CD2-CZ2 4.29Å; L65-W111 HydrophobicContact CG-CH2 4.09Å; L65-W111 HydrophobicContact CG-CZ2 4.17Å
66E94.5Very high91.9Very high23 Ų2321.5 Ų21.511%0.10710%0.1CC..Hα-helixtrans-55.5-51.8175.4-171.5-172.916000111.2L62 T63 V64 L68 V69 K70 K103 L107L62-E66 PolarHBondContact O-N 2.71Å; T63-E66 WeakPolarHBondContact O-CB 3.45Å; T63-E66 PolarHBondContact O-N 3.06Å; V64-E66 VanDerWaalsContact C-N 3.35Å; V64-E66 PolarHBondContact O-N 3.01Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 3.19Å; E66-V69 PolarHBondContact O-N 3.39Å; E66-K70 HydrophobicContact CG-CD 4.11Å; E66-K70 WeakPolarHBondContact O-CG 3.32Å; E66-K70 PolarHBondContact O-N 3.44Å; E66-K70 WeakPolarHBondContact OE1-CE 3.4Å; E66-K70 IonicContact OE1-NZ 2.78Å; E66-K70 PolarHBondContact OE1-NZ 3.01Å; E66-K103 VanDerWaalsContact OE2-CE 3.27Å; E66-K103 WeakPolarHBondContact OE2-CE 3.23Å; E66-K103 IonicContact OE2-NZ 3.57Å; E66-K103 PolarHBondContact OE2-NZ 2.82Å; E66-L107 HydrophobicContact CB-CD2 3.59Å; E66-L107 HydrophobicContact CG-CD2 3.52Å
67A92.4Very high92Very high5 Ų519.4 Ų19.44%0.0419%0.09CC..Hα-helixtrans-60.7-41179.400000111.4W22 I25 T29 T63 V64 L65 K70 N71W22-A67 HydrophobicContact CZ3-CB 4.44Å; I25-A67 HydrophobicContact CG2-CB 3.35Å; T29-A67 HydrophobicContact CG2-CB 3.83Å; T63-A67 PolarHBondContact O-N 2.91Å; V64-A67 PolarHBondContact O-N 3.41Å; L65-A67 PolarHBondContact O-N 2.87Å; A67-K70 PolarHBondContact O-N 3.15Å; A67-N71 WeakPolarHBondContact O-CB 3.2Å; A67-N71 PolarHBondContact O-N 3.31Å; A67-N71 PolarHBondContact O-ND2 2.92Å
68L92.5Very high91.7Very high0 Ų024.1 Ų24.10%011%0.11CC..Hα-helixtrans-61.6-45.7176-75.5172.3000112.1T29 V32 V46 V64 L65 E66 N71 C72 M76T29-L68 HydrophobicContact CG2-CD2 4.12Å; T29-L68 HydrophobicContact CG2-CG 4.46Å; V32-L68 HydrophobicContact CB-CD2 4.05Å; V32-L68 HydrophobicContact CG2-CD2 3.73Å; V46-L68 HydrophobicContact CG2-CD1 3.85Å; V64-L68 HydrophobicContact CG1-CD1 4.12Å; V64-L68 HydrophobicContact CG1-CG 4.41Å; V64-L68 WeakPolarHBondContact O-CB 3.23Å; V64-L68 VanDerWaalsContact O-CG 3.29Å; V64-L68 WeakPolarHBondContact O-CG 3.24Å; V64-L68 PolarHBondContact O-N 2.87Å; L65-L68 WeakPolarHBondContact O-CB 3.47Å; L65-L68 PolarHBondContact O-N 3.17Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 3.19Å; L68-N71 PolarHBondContact O-N 3.15Å; L68-C72 WeakPolarHBondContact O-CB 3.5Å; L68-C72 PolarHBondContact O-N 3.31Å; L68-C72 PolarHBondContact O-SG 3.06Å; L68-C72 VanDerWaalsContact O-SG 3.37Å; L68-M76 HydrophobicContact CB-CE 4.14Å; L68-M76 HydrophobicContact CB-CG 4.35Å; L68-M76 HydrophobicContact CD1-CE 4.35Å; L68-M76 HydrophobicContact CD2-CE 4.31Å
69V91.1Very high91.6Very high0 Ų026.6 Ų26.60%012%0.121CC..Hα-helixtrans-64.8-41.9178.4173.20000111.2L65 E66 N71 M76 H77 V80 W111 F115 F148L65-V69 HydrophobicContact CD1-CG2 4.3Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 3.07Å; E66-V69 PolarHBondContact O-N 3.39Å; V69-N71 VanDerWaalsContact C-N 3.34Å; V69-N71 PolarHBondContact O-N 3.46Å; V69-M76 HydrophobicContact CG2-CG 4.15Å; V69-H77 PolarHBondContact O-CD2 2.89Å; V69-H77 PolarHBondContact O-NE2 2.99Å; V69-V80 HydrophobicContact CG2-CB 4.48Å; V69-V80 HydrophobicContact CG2-CG1 4.49Å; V69-V80 HydrophobicContact CG2-CG2 3.81Å; V69-W111 HydrophobicContact CG2-CZ2 3.92Å; V69-F115 HydrophobicContact CG1-CZ 4.41Å; V69-F148 HydrophobicContact CG1-CE1 3.97Å; V69-F148 HydrophobicContact CG1-CZ 4.2Å
70K88Confident91.5Very high36 Ų3623.8 Ų23.816%0.15711%0.108CC..Hα-helixtrans-69.1-28.9179.9-72-178.5170.8178.10113.7E66 A67 D145 F148E66-K70 HydrophobicContact CG-CD 4.11Å; E66-K70 WeakPolarHBondContact O-CG 3.32Å; E66-K70 PolarHBondContact O-N 3.44Å; E66-K70 WeakPolarHBondContact OE1-CE 3.4Å; E66-K70 IonicContact OE1-NZ 2.78Å; E66-K70 PolarHBondContact OE1-NZ 3.01Å; A67-K70 PolarHBondContact O-N 3.15Å; K70-D145 WeakPolarHBondContact CE-O 3.4Å; K70-D145 PolarHBondContact NZ-O 3.18Å; K70-F148 HydrophobicContact CB-CD1 4.47Å; K70-F148 HydrophobicContact CG-CD1 4.02Å; K70-F148 HydrophobicContact CG-CE1 4.31Å
71N86.4Confident91.3Very high22 Ų2224.1 Ų24.112%0.11811%0.111CC..Hα-helixtrans-109.6-24.6-169.8-75.1-73.6000115.2T29 R33 A67 L68 V69T29-N71 HydrophobicContact CG2-CB 4.28Å; R33-N71 VanDerWaalsContact CZ-O 3.27Å; R33-N71 PolarHBondContact NE-O 2.94Å; R33-N71 VanDerWaalsContact NH2-CA 3.29Å; R33-N71 PolarHBondContact NH2-O 3.2Å; R33-N71 PolarHBondContact NH2-OD1 3.04Å; A67-N71 WeakPolarHBondContact O-CB 3.2Å; A67-N71 PolarHBondContact O-N 3.31Å; A67-N71 PolarHBondContact O-ND2 2.92Å; L68-N71 PolarHBondContact O-N 3.15Å; V69-N71 VanDerWaalsContact C-N 3.34Å; V69-N71 PolarHBondContact O-N 3.46Å
72C86.4Confident91.1Very high3 Ų326.3 Ų26.32%0.0213%0.125CC..SBendtrans-99.77-172.8-580000114.1V32 L68 M76 A152V32-C72 HydrophobicContact CG1-CB 4.13Å; L68-C72 WeakPolarHBondContact O-CB 3.5Å; L68-C72 PolarHBondContact O-N 3.31Å; L68-C72 PolarHBondContact O-SG 3.06Å; L68-C72 VanDerWaalsContact O-SG 3.37Å; C72-M76 HydrophobicContact CB-CB 3.69Å; C72-M76 HydrophobicContact CB-CG 4.37Å; C72-A152 VanDerWaalsContact C-CB 3.4Å; C72-A152 WeakPolarHBondContact O-CB 3.41Å
73G83.1Confident90.9Very high2 Ų233.1 Ų33.12%0.02116%0.155CC..Hα-helixtrans55.9-155.8171.900000115.6R75 M76 H77G73-R75 PolarHBondContact O-N 3.06Å; G73-M76 PolarHBondContact O-N 2.83Å; G73-H77 PolarHBondContact O-CD2 3.1Å; G73-H77 VanDerWaalsContact O-CD2 3.23Å; G73-H77 VanDerWaalsContact O-CG 3.3Å; G73-H77 PolarHBondContact O-N 3.05Å; G73-H77 VanDerWaalsContact O-N 3.1Å
74Q83.3Confident90.8Very high113 Ų11340 Ų4053%0.52819%0.186SC..Hα-helixtrans-54.4-32.5-170.4-65-176.5-2.400114.2M76 H77 K78Q74-M76 VanDerWaalsContact C-N 3.3Å; Q74-M76 PolarHBondContact O-N 2.87Å; Q74-H77 PolarHBondContact O-N 2.91Å; Q74-K78 WeakPolarHBondContact O-CG 3.47Å; Q74-K78 PolarHBondContact O-N 3.35Å
75R86.3Confident90.7Very high99 Ų9940.2 Ų40.237%0.37419%0.187SC..Hα-helixtrans-65.5-33.8180-58.6177.165-157.90.7112.2P39 G73 E79P39-R75 HydrophobicContact CG-CB 3.9Å; G73-R75 PolarHBondContact O-N 3.06Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å
76M90.8Very high90.6Very high0 Ų040.3 Ų40.30%019%0.187CC..Hα-helixtrans-81.6-37.5173.2-176.257.867.400111.1V32 P39 A42 L68 V69 C72 G73 Q74 K78 E79 V80V32-M76 HydrophobicContact CG1-CE 3.84Å; P39-M76 HydrophobicContact CB-CE 3.88Å; P39-M76 HydrophobicContact CB-SD 4.49Å; A42-M76 HydrophobicContact CB-CE 4.42Å; L68-M76 HydrophobicContact CB-CE 4.14Å; L68-M76 HydrophobicContact CB-CG 4.35Å; L68-M76 HydrophobicContact CD1-CE 4.35Å; L68-M76 HydrophobicContact CD2-CE 4.31Å; V69-M76 HydrophobicContact CG2-CG 4.15Å; C72-M76 HydrophobicContact CB-CB 3.69Å; C72-M76 HydrophobicContact CB-CG 4.37Å; G73-M76 PolarHBondContact O-N 2.83Å; Q74-M76 VanDerWaalsContact C-N 3.3Å; Q74-M76 PolarHBondContact O-N 2.87Å; M76-K78 VanDerWaalsContact C-N 3.32Å; M76-K78 PolarHBondContact O-N 2.84Å; M76-E79 PolarHBondContact O-N 3.23Å; M76-E79 VanDerWaalsContact O-N 3.1Å; M76-V80 HydrophobicContact CG-CG2 4.47Å; M76-V80 PolarHBondContact O-N 2.89Å; M76-V80 VanDerWaalsContact O-N 3.08Å; M76-V80 HydrophobicContact SD-CG2 4.31Å
77H91.2Very high90.6Very high14 Ų1442.1 Ų42.17%0.06520%0.196CC..Hα-helixtrans-58.3-43.4178.7-57.1169.3000111.9V69 G73 Q74 E79 V80 A81 F115 Y121 F148V69-H77 PolarHBondContact O-CD2 2.89Å; V69-H77 PolarHBondContact O-NE2 2.99Å; G73-H77 PolarHBondContact O-CD2 3.1Å; G73-H77 VanDerWaalsContact O-CD2 3.23Å; G73-H77 VanDerWaalsContact O-CG 3.3Å; G73-H77 PolarHBondContact O-N 3.05Å; G73-H77 VanDerWaalsContact O-N 3.1Å; Q74-H77 PolarHBondContact O-N 2.91Å; H77-E79 VanDerWaalsContact C-N 3.28Å; H77-E79 PolarHBondContact O-N 2.85Å; H77-V80 PolarHBondContact O-N 3.43Å; H77-A81 WeakPolarHBondContact O-CB 3.37Å; H77-A81 PolarHBondContact O-N 3.27Å; H77-F115 HydrophobicContact CB-CE1 4.1Å; H77-F115 HydrophobicContact CB-CZ 3.88Å; H77-F115 AromaticContact CD2-CZ 3.81Å; H77-F115 AromaticContact CE1-CE1 3.87Å; H77-F115 AromaticContact CG-CE1 3.7Å; H77-F115 AromaticContact CG-CZ 3.64Å; H77-F115 AromaticContact ND1-CE1 3.56Å; H77-F115 AromaticContact ND1-CZ 4Å; H77-Y121 HydrophobicContact CB-CE1 3.94Å; H77-Y121 HydrophobicContact CB-CE2 4.07Å; H77-F148 AromaticContact CE1-CD2 3.94Å
78K90.1Very high90.7Very high109 Ų10943 Ų4347%0.47420%0.2SC..Hα-helixtrans-60.6-32.3175.9-74.5179.8-179.2-177.10114Q74 M76 T82 Y121Q74-K78 WeakPolarHBondContact O-CG 3.47Å; Q74-K78 PolarHBondContact O-N 3.35Å; M76-K78 VanDerWaalsContact C-N 3.32Å; M76-K78 PolarHBondContact O-N 2.84Å; K78-T82 WeakPolarHBondContact O-CG2 3.33Å; K78-Y121 HydrophobicContact CG-CE1 3.99Å
79E92.8Very high90.8Very high56 Ų5643.1 Ų43.126%0.26220%0.2SC..Hα-helixtrans-79.2-37.8179.6-62.3-69.7156.600111.3P39 K40 L43 R75 M76 H77 T82P39-E79 HydrophobicContact CB-CG 4.04Å; K40-E79 HydrophobicContact CB-CG 4.5Å; K40-E79 WeakPolarHBondContact CB-OE2 3.31Å; K40-E79 WeakPolarHBondContact CG-OE2 3.47Å; L43-E79 HydrophobicContact CD2-CB 3.66Å; L43-E79 WeakPolarHBondContact CD2-O 3.46Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å; M76-E79 PolarHBondContact O-N 3.23Å; M76-E79 VanDerWaalsContact O-N 3.1Å; H77-E79 VanDerWaalsContact C-N 3.28Å; H77-E79 PolarHBondContact O-N 2.85Å; E79-T82 WeakPolarHBondContact O-CG2 3.31Å; E79-T82 PolarHBondContact O-OG1 3.34Å
80V92.6Very high90.8Very high0 Ų044.2 Ų44.20%021%0.205CC..Hα-helixtrans-74.1-39177.4170.60000111.6L43 L65 V69 M76 H77 T82 F85 M86 W111L43-V80 HydrophobicContact CD1-CG2 4.01Å; L43-V80 HydrophobicContact CD2-CG2 4.2Å; L65-V80 HydrophobicContact CD1-CG2 4.1Å; V69-V80 HydrophobicContact CG2-CB 4.48Å; V69-V80 HydrophobicContact CG2-CG1 4.49Å; V69-V80 HydrophobicContact CG2-CG2 3.81Å; M76-V80 HydrophobicContact CG-CG2 4.47Å; M76-V80 PolarHBondContact O-N 2.89Å; M76-V80 VanDerWaalsContact O-N 3.08Å; M76-V80 HydrophobicContact SD-CG2 4.31Å; H77-V80 PolarHBondContact O-N 3.43Å; V80-T82 PolarHBondContact O-N 2.78Å; V80-F85 HydrophobicContact CB-CD1 4.32Å; V80-F85 HydrophobicContact CB-CE1 4.4Å; V80-F85 HydrophobicContact CG1-CD1 3.96Å; V80-F85 HydrophobicContact CG1-CE1 3.9Å; V80-F85 HydrophobicContact CG2-CE1 4.25Å; V80-F85 WeakPolarHBondContact O-CD1 3.46Å; V80-M86 HydrophobicContact CG1-CE 3.71Å; V80-M86 WeakPolarHBondContact O-CE 3.38Å; V80-W111 HydrophobicContact CG1-CD2 4.37Å; V80-W111 HydrophobicContact CG1-CE3 3.79Å; V80-W111 HydrophobicContact CG1-CH2 3.94Å; V80-W111 HydrophobicContact CG1-CZ2 4.48Å; V80-W111 HydrophobicContact CG1-CZ3 3.56Å
81A91.7Very high91Very high13 Ų1348.4 Ų48.411%0.10723%0.225CC..SBendtrans-79.146.6178.600000112.7H77 Y121 I123 V124H77-A81 WeakPolarHBondContact O-CB 3.37Å; H77-A81 PolarHBondContact O-N 3.27Å; A81-Y121 HydrophobicContact CB-CD1 3.51Å; A81-Y121 HydrophobicContact CB-CE1 4.38Å; A81-Y121 HydrophobicContact CB-CG 4.11Å; A81-I123 HydrophobicContact CB-CG2 4.18Å; A81-I123 VanDerWaalsContact O-CG2 3.32Å; A81-I123 WeakPolarHBondContact O-CG2 3.35Å; A81-V124 HydrophobicContact CB-CG2 3.87Å
82T93.6Very high91.2Very high47 Ų4748.5 Ų48.529%0.28823%0.225SC..SBendtrans-109.8147.7174.257.60000110.3K78 E79 V80 E84 F85 M86K78-T82 WeakPolarHBondContact O-CG2 3.33Å; E79-T82 WeakPolarHBondContact O-CG2 3.31Å; E79-T82 PolarHBondContact O-OG1 3.34Å; V80-T82 PolarHBondContact O-N 2.78Å; T82-E84 PolarHBondContact O-N 3.3Å; T82-F85 PolarHBondContact O-N 3.28Å; T82-F85 VanDerWaalsContact OG1-CB 3.24Å; T82-F85 WeakPolarHBondContact OG1-CB 3.32Å; T82-F85 PolarHBondContact OG1-N 3.48Å; T82-M86 WeakPolarHBondContact O-CG 3.33Å; T82-M86 PolarHBondContact O-N 3.38Å
83K92.8Very high91.4Very high143 Ų14348.5 Ų48.562%0.62223%0.225SC*.Hα-helixtrans-58.1-41.8177.8-173.3175.5178.8-178.50111.6F85 M86 E87 I123K83-F85 VanDerWaalsContact C-N 3.34Å; K83-F85 PolarHBondContact O-N 2.89Å; K83-M86 PolarHBondContact O-N 2.88Å; K83-E87 HydrophobicContact CG-CG 4.29Å; K83-E87 WeakPolarHBondContact O-CB 3.49Å; K83-E87 WeakPolarHBondContact O-CG 3.32Å; K83-E87 PolarHBondContact O-N 2.88Å; K83-I123 HydrophobicContact CB-CD1 3.44Å; K83-I123 VanDerWaalsContact CB-CD1 3.44Å; K83-I123 HydrophobicContact CG-CD1 3.94Å
84E93.9Very high91.6Very high154 Ų15452.8 Ų52.872%0.7226%0.255SS*.Hα-helixtrans-59.8-44.5-179.9-64.8166.2-169.200111.5T82 D88T82-E84 PolarHBondContact O-N 3.3Å; E84-D88 VanDerWaalsContact O-CB 3.27Å; E84-D88 WeakPolarHBondContact O-CB 3.47Å; E84-D88 PolarHBondContact O-N 2.93Å
85F95.2Very high91.7Very high6 Ų654.5 Ų54.53%0.02627%0.268CS..Hα-helixtrans-75.2-37.2-179.6-169.4-106.4000112.8L43 L65 V80 T82 K83 D88 L89 W111L43-F85 HydrophobicContact CD1-CD2 4.43Å; L43-F85 HydrophobicContact CD1-CE1 4.38Å; L43-F85 HydrophobicContact CD1-CE2 3.81Å; L43-F85 HydrophobicContact CD1-CZ 3.78Å; L43-F85 HydrophobicContact CD2-CD2 4.25Å; L43-F85 HydrophobicContact CD2-CE2 4.43Å; L43-F85 HydrophobicContact CD2-CG 4.47Å; L43-F85 HydrophobicContact CG-CD2 4.46Å; L43-F85 HydrophobicContact CG-CE2 4.23Å; L65-F85 HydrophobicContact CD1-CZ 4.5Å; L65-F85 HydrophobicContact CD2-CE1 4.08Å; L65-F85 HydrophobicContact CD2-CZ 3.67Å; V80-F85 HydrophobicContact CB-CD1 4.32Å; V80-F85 HydrophobicContact CB-CE1 4.4Å; V80-F85 HydrophobicContact CG1-CD1 3.96Å; V80-F85 HydrophobicContact CG1-CE1 3.9Å; V80-F85 HydrophobicContact CG2-CE1 4.25Å; V80-F85 WeakPolarHBondContact O-CD1 3.46Å; T82-F85 PolarHBondContact O-N 3.28Å; T82-F85 VanDerWaalsContact OG1-CB 3.24Å; T82-F85 WeakPolarHBondContact OG1-CB 3.32Å; T82-F85 PolarHBondContact OG1-N 3.48Å; K83-F85 VanDerWaalsContact C-N 3.34Å; K83-F85 PolarHBondContact O-N 2.89Å; F85-D88 WeakPolarHBondContact O-CB 3.16Å; F85-D88 PolarHBondContact O-N 2.99Å; F85-L89 HydrophobicContact CD1-CD1 4.08Å; F85-L89 HydrophobicContact CD1-CG 4.42Å; F85-L89 HydrophobicContact CE1-CD1 3.59Å; F85-L89 HydrophobicContact CE1-CG 4.04Å; F85-L89 HydrophobicContact CZ-CD1 4.16Å; F85-L89 HydrophobicContact CZ-CD2 4.29Å; F85-L89 HydrophobicContact CZ-CG 4.22Å; F85-L89 PolarHBondContact O-N 2.88Å; F85-W111 HydrophobicContact CE1-CZ3 4.47Å
86M94.6Very high91.7Very high1 Ų151.4 Ų51.41%0.00526%0.261CS..Hα-helixtrans-67.7-42.4178.1-70.5-70.1139.300112.4V80 T82 K83 D88 L89 K90 W111 I123 V124 T127V80-M86 HydrophobicContact CG1-CE 3.71Å; V80-M86 WeakPolarHBondContact O-CE 3.38Å; T82-M86 WeakPolarHBondContact O-CG 3.33Å; T82-M86 PolarHBondContact O-N 3.38Å; K83-M86 PolarHBondContact O-N 2.88Å; M86-D88 VanDerWaalsContact C-N 3.33Å; M86-L89 PolarHBondContact O-N 3.05Å; M86-K90 WeakPolarHBondContact O-CG 3.47Å; M86-K90 PolarHBondContact O-N 3.28Å; M86-W111 HydrophobicContact CE-CE3 4.02Å; M86-W111 HydrophobicContact CE-CZ3 4.09Å; M86-I123 HydrophobicContact CG-CG1 4.5Å; M86-I123 HydrophobicContact CG-CG2 4.46Å; M86-V124 HydrophobicContact CE-CB 4.43Å; M86-V124 HydrophobicContact CE-CG1 4.24Å; M86-V124 HydrophobicContact CE-CG2 3.68Å; M86-V124 HydrophobicContact SD-CB 4.39Å; M86-V124 HydrophobicContact SD-CG1 4.25Å; M86-V124 HydrophobicContact SD-CG2 4.12Å; M86-T127 HydrophobicContact CB-CG2 4.05Å; M86-T127 WeakPolarHBondContact CB-OG1 3.19Å; M86-T127 HydrophobicContact SD-CG2 4.14Å
87E94Very high91.7Very high61 Ų6153.7 Ų53.729%0.28528%0.277SS..Hα-helixtrans-66.3-36.9174.3-67.9-63.9166.600111.6K83 K90 H91K83-E87 HydrophobicContact CG-CG 4.29Å; K83-E87 WeakPolarHBondContact O-CB 3.49Å; K83-E87 WeakPolarHBondContact O-CG 3.32Å; K83-E87 PolarHBondContact O-N 2.88Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 3.41Å; E87-K90 IonicContact OE1-NZ 3.79Å; E87-K90 PolarHBondContact OE1-NZ 3.42Å; E87-K90 IonicContact OE2-NZ 3.92Å; E87-K90 PolarHBondContact OE2-NZ 3.38Å; E87-H91 PolarHBondContact O-CD2 2.88Å; E87-H91 PolarHBondContact O-N 2.92Å
88D94.8Very high91.6Very high24 Ų2458.7 Ų58.713%0.12830%0.304CS..Hα-helixtrans-59.1-46.9174.3-170.666.5000111.9R47 H51 E84 F85 M86 H91 L92R47-D88 IonicContact CZ-OD1 3.47Å; R47-D88 IonicContact CZ-OD2 2.58Å; R47-D88 VanDerWaalsContact CZ-OD2 3.3Å; R47-D88 IonicContact NE-OD1 3.38Å; R47-D88 IonicContact NE-OD2 2.64Å; R47-D88 PolarHBondContact NE-OD2 3.35Å; R47-D88 IonicContact NH2-OD1 3.61Å; R47-D88 PolarHBondContact NH2-OD1 2.95Å; R47-D88 IonicContact NH2-OD2 2.86Å; R47-D88 PolarHBondContact NH2-OD2 3.43Å; H51-D88 IonicContact CE1-OD1 3.81Å; H51-D88 IonicContact CE1-OD2 3.28Å; H51-D88 PolarHBondContact CE1-OD2 2.96Å; H51-D88 IonicContact NE2-OD1 3.3Å; H51-D88 PolarHBondContact NE2-OD1 3.3Å; H51-D88 IonicContact NE2-OD2 3.59Å; E84-D88 VanDerWaalsContact O-CB 3.27Å; E84-D88 WeakPolarHBondContact O-CB 3.47Å; E84-D88 PolarHBondContact O-N 2.93Å; F85-D88 WeakPolarHBondContact O-CB 3.16Å; F85-D88 PolarHBondContact O-N 2.99Å; M86-D88 VanDerWaalsContact C-N 3.33Å; D88-H91 PolarHBondContact O-N 3.19Å; D88-L92 WeakPolarHBondContact O-CB 3.26Å; D88-L92 PolarHBondContact O-N 2.93Å
89L93.6Very high91.6Very high2 Ų261.2 Ų61.21%0.0132%0.315CS..Hα-helixtrans-63.5-41.1174.6-71.9-178.7000112.2F85 M86 L92 T93 I104 I108 W111F85-L89 HydrophobicContact CD1-CD1 4.08Å; F85-L89 HydrophobicContact CD1-CG 4.42Å; F85-L89 HydrophobicContact CE1-CD1 3.59Å; F85-L89 HydrophobicContact CE1-CG 4.04Å; F85-L89 HydrophobicContact CZ-CD1 4.16Å; F85-L89 HydrophobicContact CZ-CD2 4.29Å; F85-L89 HydrophobicContact CZ-CG 4.22Å; F85-L89 PolarHBondContact O-N 2.88Å; M86-L89 PolarHBondContact O-N 3.05Å; L89-L92 PolarHBondContact O-N 3.44Å; L89-T93 WeakPolarHBondContact O-CG2 3.41Å; L89-T93 PolarHBondContact O-N 2.98Å; L89-I104 HydrophobicContact CB-CG2 4.12Å; L89-I104 HydrophobicContact CD2-CG2 4.42Å; L89-I108 HydrophobicContact CB-CD1 4.31Å; L89-I108 HydrophobicContact CD1-CG1 4.45Å; L89-W111 HydrophobicContact CD1-CH2 4.36Å; L89-W111 HydrophobicContact CD1-CZ3 3.85Å
90K92Very high91.6Very high23 Ų2358.7 Ų58.710%0.130%0.304CS..Hα-helixtrans-57.9-50.9174.8-78.6175.763.2-150.10111.3M86 E87 L92 T93 T127 L130 M131 E134M86-K90 WeakPolarHBondContact O-CG 3.47Å; M86-K90 PolarHBondContact O-N 3.28Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 3.41Å; E87-K90 IonicContact OE1-NZ 3.79Å; E87-K90 PolarHBondContact OE1-NZ 3.42Å; E87-K90 IonicContact OE2-NZ 3.92Å; E87-K90 PolarHBondContact OE2-NZ 3.38Å; K90-L92 VanDerWaalsContact C-N 3.28Å; K90-L92 PolarHBondContact O-N 3.13Å; K90-T93 PolarHBondContact O-N 3.42Å; K90-T93 VanDerWaalsContact O-N 3.13Å; K90-T93 PolarHBondContact O-OG1 3.02Å; K90-T127 HydrophobicContact CD-CG2 3.69Å; K90-T127 HydrophobicContact CG-CG2 3.8Å; K90-L130 VanDerWaalsContact NZ-CD2 3.33Å; K90-M131 HydrophobicContact CD-CG 4.32Å; K90-M131 HydrophobicContact CG-CE 4.44Å; K90-M131 HydrophobicContact CG-CG 3.93Å; K90-M131 HydrophobicContact CG-SD 3.78Å; K90-E134 IonicContact NZ-OE1 3.1Å
91H91.4Very high91.7Very high125 Ų12561.8 Ų61.858%0.57932%0.317SS*.Hα-helixtrans-58.6-41.7178.1-73.6-57.5000111.9E87 D88 T93 S94E87-H91 PolarHBondContact O-CD2 2.88Å; E87-H91 PolarHBondContact O-N 2.92Å; D88-H91 PolarHBondContact O-N 3.19Å; H91-T93 PolarHBondContact O-N 2.69Å; H91-S94 WeakPolarHBondContact O-CB 3.38Å; H91-S94 PolarHBondContact O-N 2.92Å
92L91.3Very high91.8Very high23 Ų2365.3 Ų65.312%0.1233%0.334CS..Hα-helixtrans-61.2-30.3179.5-167.366.6000112.9I50 D88 L89 K90 S94 D95 C96 I104I50-L92 HydrophobicContact CG2-CD2 3.16Å; D88-L92 WeakPolarHBondContact O-CB 3.26Å; D88-L92 PolarHBondContact O-N 2.93Å; L89-L92 PolarHBondContact O-N 3.44Å; K90-L92 VanDerWaalsContact C-N 3.28Å; K90-L92 PolarHBondContact O-N 3.13Å; L92-S94 PolarHBondContact O-N 3.18Å; L92-D95 PolarHBondContact O-N 3.34Å; L92-C96 HydrophobicContact CG-CB 4.43Å; L92-C96 VanDerWaalsContact O-CB 3.31Å; L92-C96 WeakPolarHBondContact O-CB 3.48Å; L92-C96 PolarHBondContact O-N 3.45Å; L92-C96 PolarHBondContact O-SG 2.88Å; L92-I104 HydrophobicContact CB-CD1 4.18Å; L92-I104 HydrophobicContact CD2-CD1 3.7Å; L92-I104 HydrophobicContact CG-CD1 3.96Å
93T90.9Very high91.8Very high3 Ų364.1 Ų64.12%0.01833%0.325CS..Hα-helixtrans-67.6-12.7176.864.40000114.8L89 K90 H91 K101 I104 M131 H136L89-T93 WeakPolarHBondContact O-CG2 3.41Å; L89-T93 PolarHBondContact O-N 2.98Å; K90-T93 PolarHBondContact O-N 3.42Å; K90-T93 VanDerWaalsContact O-N 3.13Å; K90-T93 PolarHBondContact O-OG1 3.02Å; H91-T93 PolarHBondContact O-N 2.69Å; T93-K101 HydrophobicContact CG2-CG 4.35Å; T93-I104 HydrophobicContact CG2-CB 3.91Å; T93-I104 HydrophobicContact CG2-CD1 3.99Å; T93-I104 HydrophobicContact CG2-CG2 3.53Å; T93-M131 HydrophobicContact CG2-CE 3.91Å; T93-H136 PolarHBondContact OG1-CE1 3.29Å
94S87.3Confident91.9Very high92 Ų9257.4 Ų57.464%0.64330%0.296SS*.Hα-helixtrans-86.8-33.3174.2-62.30000112.9H91 L92H91-S94 WeakPolarHBondContact O-CB 3.38Å; H91-S94 PolarHBondContact O-N 2.92Å; L92-S94 PolarHBondContact O-N 3.18Å
95D83.8Confident92Very high150 Ų15050.2 Ų50.280%0.80226%0.262SS*.Hα-helixtrans-109.97.9-169.4-65.6-28.9000114.3L92L92-D95 PolarHBondContact O-N 3.34Å
96C88.1Confident91.8Very high34 Ų3452.6 Ų52.623%0.2327%0.273CS..SBendtrans-112.3167.4-17672.70000114.1L92 V100 K101L92-C96 HydrophobicContact CG-CB 4.43Å; L92-C96 VanDerWaalsContact O-CB 3.31Å; L92-C96 WeakPolarHBondContact O-CB 3.48Å; L92-C96 PolarHBondContact O-N 3.45Å; L92-C96 PolarHBondContact O-SG 2.88Å; C96-V100 HydrophobicContact CB-CB 4.08Å; C96-V100 HydrophobicContact CB-CG1 3.88Å; C96-K101 PolarHBondContact SG-N 3.02Å; C96-K101 VanDerWaalsContact SG-N 3.43Å
97S89.4Confident91.8Very high48 Ų4852.7 Ų52.734%0.33627%0.274SS..  trans-66.8152.317464.80000112.2P55 K99 V100 K101P55-S97 WeakPolarHBondContact CB-OG 3.35Å; S97-K99 VanDerWaalsContact C-N 3.29Å; S97-K99 PolarHBondContact O-N 2.97Å; S97-K99 VanDerWaalsContact O-N 3.14Å; S97-V100 WeakPolarHBondContact O-CB 3.45Å; S97-V100 PolarHBondContact O-N 2.75Å; S97-V100 WeakPolarHBondContact OG-CG2 3.46Å; S97-K101 PolarHBondContact O-N 3.41Å
98D90.2Very high91.8Very high119 Ų11949.8 Ų49.864%0.63626%0.26SS*.Hα-helixtrans-49.6-44.4-179.5-61.9-32.5000113.5V100 K101 D102D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.4Å; D98-K101 WeakPolarHBondContact O-CB 3.39Å; D98-K101 PolarHBondContact O-N 3.28Å; D98-D102 WeakPolarHBondContact O-CB 3.49Å; D98-D102 PolarHBondContact O-N 3.14Å
99K89.8Confident91.6Very high162 Ų16249.7 Ų49.770%0.70426%0.259SS*.Hα-helixtrans-59.1-39.7177.9-67.2-172.6177-1740113.6S97 K103S97-K99 VanDerWaalsContact C-N 3.29Å; S97-K99 PolarHBondContact O-N 2.97Å; S97-K99 VanDerWaalsContact O-N 3.14Å; K99-K103 WeakPolarHBondContact O-CB 3.42Å; K99-K103 PolarHBondContact O-N 3.49Å
100V93.6Very high91.4Very high3 Ų349.9 Ų49.92%0.01826%0.261CS..Hα-helixtrans-73.4-43.1179.3175.40000109.2P55 A58 H59 L62 C96 S97 D98 K103 I104P55-V100 HydrophobicContact CB-CG2 4.24Å; P55-V100 WeakPolarHBondContact O-CG2 3.4Å; A58-V100 HydrophobicContact CB-CG1 4.34Å; A58-V100 HydrophobicContact CB-CG2 4.13Å; H59-V100 HydrophobicContact CB-CG2 4.24Å; L62-V100 HydrophobicContact CD1-CG1 3.8Å; C96-V100 HydrophobicContact CB-CB 4.08Å; C96-V100 HydrophobicContact CB-CG1 3.88Å; S97-V100 WeakPolarHBondContact O-CB 3.45Å; S97-V100 PolarHBondContact O-N 2.75Å; S97-V100 WeakPolarHBondContact OG-CG2 3.46Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.4Å; V100-K103 PolarHBondContact O-N 3.17Å; V100-I104 HydrophobicContact CG1-CD1 3.99Å; V100-I104 VanDerWaalsContact O-CG1 3.27Å; V100-I104 WeakPolarHBondContact O-CG1 3.38Å; V100-I104 PolarHBondContact O-N 3.31Å
101K94.3Very high91.4Very high65 Ų6548.9 Ų48.928%0.28326%0.256SS..Hα-helixtrans-57.6-50.4175.4-178178.9178.7179.40111.7T93 C96 S97 D98 K103 I104 L105T93-K101 HydrophobicContact CG2-CG 4.35Å; C96-K101 PolarHBondContact SG-N 3.02Å; C96-K101 VanDerWaalsContact SG-N 3.43Å; S97-K101 PolarHBondContact O-N 3.41Å; D98-K101 WeakPolarHBondContact O-CB 3.39Å; D98-K101 PolarHBondContact O-N 3.28Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 3.19Å; K101-I104 PolarHBondContact O-N 3.3Å; K101-I104 VanDerWaalsContact O-N 3.15Å; K101-L105 HydrophobicContact CG-CD1 4.16Å; K101-L105 WeakPolarHBondContact O-CG 3.48Å; K101-L105 PolarHBondContact O-N 2.58Å
102D93Very high91.3Very high87 Ų8743.3 Ų43.347%0.46523%0.232SC..Hα-helixtrans-59.6-43.3179.2-69-18.1000110.9D98 I104 L105 E106D98-D102 WeakPolarHBondContact O-CB 3.49Å; D98-D102 PolarHBondContact O-N 3.14Å; D102-I104 PolarHBondContact O-N 3.2Å; D102-L105 PolarHBondContact O-N 3.47Å; D102-E106 WeakPolarHBondContact O-CB 3.35Å; D102-E106 PolarHBondContact O-N 2.76Å
103K93.6Very high91Very high22 Ų2244.6 Ų44.610%0.09624%0.237CC..Hα-helixtrans-64.9-38.7176.7-169.860.5179.3175.40112.3L62 E66 K99 V100 K101 E106 L107L62-K103 HydrophobicContact CB-CG 3.94Å; L62-K103 HydrophobicContact CD1-CB 4.09Å; L62-K103 HydrophobicContact CD1-CG 4.14Å; E66-K103 VanDerWaalsContact OE2-CE 3.27Å; E66-K103 WeakPolarHBondContact OE2-CE 3.23Å; E66-K103 IonicContact OE2-NZ 3.57Å; E66-K103 PolarHBondContact OE2-NZ 2.82Å; K99-K103 WeakPolarHBondContact O-CB 3.42Å; K99-K103 PolarHBondContact O-N 3.49Å; V100-K103 PolarHBondContact O-N 3.17Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 3.19Å; K103-E106 WeakPolarHBondContact CD-OE2 3.23Å; K103-E106 IonicContact NZ-OE1 2.89Å; K103-E106 PolarHBondContact NZ-OE1 3.33Å; K103-E106 IonicContact NZ-OE2 3.31Å; K103-E106 PolarHBondContact NZ-OE2 3.13Å; K103-E106 PolarHBondContact O-N 3.45Å; K103-L107 HydrophobicContact CG-CD1 4.45Å; K103-L107 WeakPolarHBondContact O-CB 3.16Å; K103-L107 VanDerWaalsContact O-CG 3.23Å; K103-L107 WeakPolarHBondContact O-CG 3.47Å; K103-L107 PolarHBondContact O-N 3.2Å
104I95.6Very high90.6Very high1 Ų145.7 Ų45.71%0.00525%0.246CC..Hα-helixtrans-62.7-45.9174.5-66.4162.4000110.6L62 L89 L92 T93 V100 K101 D102 L107 I108L62-I104 HydrophobicContact CD1-CD1 4.37Å; L62-I104 HydrophobicContact CD1-CG1 3.66Å; L62-I104 HydrophobicContact CD2-CG1 3.99Å; L89-I104 HydrophobicContact CB-CG2 4.12Å; L89-I104 HydrophobicContact CD2-CG2 4.42Å; L92-I104 HydrophobicContact CB-CD1 4.18Å; L92-I104 HydrophobicContact CD2-CD1 3.7Å; L92-I104 HydrophobicContact CG-CD1 3.96Å; T93-I104 HydrophobicContact CG2-CB 3.91Å; T93-I104 HydrophobicContact CG2-CD1 3.99Å; T93-I104 HydrophobicContact CG2-CG2 3.53Å; V100-I104 HydrophobicContact CG1-CD1 3.99Å; V100-I104 VanDerWaalsContact O-CG1 3.27Å; V100-I104 WeakPolarHBondContact O-CG1 3.38Å; V100-I104 PolarHBondContact O-N 3.31Å; K101-I104 PolarHBondContact O-N 3.3Å; K101-I104 VanDerWaalsContact O-N 3.15Å; D102-I104 PolarHBondContact O-N 3.2Å; I104-L107 PolarHBondContact O-N 3.42Å; I104-I108 HydrophobicContact CG2-CD1 3.69Å; I104-I108 HydrophobicContact CG2-CG1 4.34Å; I104-I108 WeakPolarHBondContact O-CB 3.38Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.35Å
105L94.6Very high90.6Very high3 Ų341.6 Ų41.62%0.01622%0.217CC..Hα-helixtrans-62.2-45178.9-67.2173.4000111.2K101 D102 L107 I108 Q109 M131 H136 F138K101-L105 HydrophobicContact CG-CD1 4.16Å; K101-L105 WeakPolarHBondContact O-CG 3.48Å; K101-L105 PolarHBondContact O-N 2.58Å; D102-L105 PolarHBondContact O-N 3.47Å; L105-L107 PolarHBondContact O-N 3.31Å; L105-I108 PolarHBondContact O-N 2.89Å; L105-Q109 WeakPolarHBondContact O-CB 3.35Å; L105-Q109 PolarHBondContact O-N 3.16Å; L105-M131 HydrophobicContact CD2-CE 3.5Å; L105-M131 VanDerWaalsContact CD2-CE 3.5Å; L105-M131 HydrophobicContact CD2-SD 4.27Å; L105-H136 HydrophobicContact CD1-CB 4.48Å; L105-H136 HydrophobicContact CD2-CB 3.96Å; L105-F138 HydrophobicContact CB-CD1 3.78Å; L105-F138 HydrophobicContact CB-CE1 3.86Å; L105-F138 HydrophobicContact CD2-CD1 4.15Å; L105-F138 HydrophobicContact CD2-CE1 3.58Å; L105-F138 HydrophobicContact CD2-CE2 4.09Å; L105-F138 HydrophobicContact CD2-CZ 3.55Å; L105-F138 HydrophobicContact CG-CE1 4.33Å; L105-F138 VanDerWaalsContact O-CD1 3.26Å; L105-F138 WeakPolarHBondContact O-CD1 3.49Å; L105-F138 VanDerWaalsContact O-CE1 3.28Å; L105-F138 WeakPolarHBondContact O-CE1 3.49Å
106E92.7Very high90.4Very high56 Ų5640.2 Ų40.226%0.26220%0.2SC..Hα-helixtrans-55.5-49.1174.1-173.6-162.2132.600111.4D102 K103 Q109 C110 P139D102-E106 WeakPolarHBondContact O-CB 3.35Å; D102-E106 PolarHBondContact O-N 2.76Å; K103-E106 WeakPolarHBondContact CD-OE2 3.23Å; K103-E106 IonicContact NZ-OE1 2.89Å; K103-E106 PolarHBondContact NZ-OE1 3.33Å; K103-E106 IonicContact NZ-OE2 3.31Å; K103-E106 PolarHBondContact NZ-OE2 3.13Å; K103-E106 PolarHBondContact O-N 3.45Å; E106-Q109 PolarHBondContact O-N 3.48Å; E106-C110 WeakPolarHBondContact O-CB 3.26Å; E106-C110 PolarHBondContact O-N 3.37Å; E106-C110 PolarHBondContact O-SG 3.03Å; E106-P139 HydrophobicContact CB-CG 3.91Å; E106-P139 HydrophobicContact CG-CG 4.36Å
107L93.8Very high89.9Confident3 Ų345.7 Ų45.72%0.01622%0.223CC..Hα-helixtrans-64.1-46.8-179.6-70.2177.5000112.2L62 E66 K103 I104 L105 Q109 C110 W111L62-L107 HydrophobicContact CB-CD1 4.07Å; L62-L107 HydrophobicContact CD2-CD1 4.11Å; E66-L107 HydrophobicContact CB-CD2 3.59Å; E66-L107 HydrophobicContact CG-CD2 3.52Å; K103-L107 HydrophobicContact CG-CD1 4.45Å; K103-L107 WeakPolarHBondContact O-CB 3.16Å; K103-L107 VanDerWaalsContact O-CG 3.23Å; K103-L107 WeakPolarHBondContact O-CG 3.47Å; K103-L107 PolarHBondContact O-N 3.2Å; I104-L107 PolarHBondContact O-N 3.42Å; L105-L107 PolarHBondContact O-N 3.31Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.7Å; L107-C110 PolarHBondContact O-N 3.44Å; L107-W111 HydrophobicContact CB-CD2 4.43Å; L107-W111 HydrophobicContact CB-CH2 4Å; L107-W111 HydrophobicContact CB-CZ2 3.81Å; L107-W111 HydrophobicContact CB-CZ3 4.39Å; L107-W111 HydrophobicContact CD1-CH2 4.28Å; L107-W111 HydrophobicContact CD1-CZ2 4.11Å; L107-W111 HydrophobicContact CD2-CZ2 4.17Å; L107-W111 HydrophobicContact CG-CZ2 4.25Å; L107-W111 WeakPolarHBondContact O-CB 3.49Å; L107-W111 VanDerWaalsContact O-CD2 3.26Å; L107-W111 PolarHBondContact O-N 3.34Å
108I94.1Very high89.5Confident0 Ų047.1 Ų47.10%023%0.227CC..Hα-helixtrans-60-42.9178.1-71.6173.3000110.5L89 I104 L105 A112 H128 M131 F138L89-I108 HydrophobicContact CB-CD1 4.31Å; L89-I108 HydrophobicContact CD1-CG1 4.45Å; I104-I108 HydrophobicContact CG2-CD1 3.69Å; I104-I108 HydrophobicContact CG2-CG1 4.34Å; I104-I108 WeakPolarHBondContact O-CB 3.38Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.35Å; L105-I108 PolarHBondContact O-N 2.89Å; I108-A112 WeakPolarHBondContact O-CB 2.95Å; I108-A112 PolarHBondContact O-N 3.33Å; I108-H128 HydrophobicContact CG2-CB 3.72Å; I108-M131 HydrophobicContact CD1-SD 3.67Å; I108-F138 HydrophobicContact CB-CE1 4.44Å; I108-F138 HydrophobicContact CG2-CE1 4.26Å
109Q91.5Very high89.1Confident22 Ų2246.5 Ų46.510%0.10323%0.229CC..Hα-helixtrans-65.6-45.4177.1-176.6179.619.800112.3L105 E106 L107 W111 A112 H113 F138 P139 L141L105-Q109 WeakPolarHBondContact O-CB 3.35Å; L105-Q109 PolarHBondContact O-N 3.16Å; E106-Q109 PolarHBondContact O-N 3.48Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.7Å; Q109-W111 VanDerWaalsContact C-N 3.34Å; Q109-W111 PolarHBondContact O-N 2.79Å; Q109-A112 PolarHBondContact O-N 3.22Å; Q109-H113 WeakPolarHBondContact O-CB 3.49Å; Q109-H113 PolarHBondContact O-N 3.45Å; Q109-F138 HydrophobicContact CB-CD1 3.77Å; Q109-F138 HydrophobicContact CB-CE1 4.26Å; Q109-F138 HydrophobicContact CG-CD1 4.42Å; Q109-P139 PolarHBondContact NE2-O 2.75Å; Q109-P139 PolarHBondContact OE1-O 3.37Å; Q109-L141 HydrophobicContact CG-CB 4.21Å; Q109-L141 HydrophobicContact CG-CD1 4.4Å; Q109-L141 HydrophobicContact CG-CD2 4.41Å
110C89.1Confident88.8Confident6 Ų644.6 Ų44.64%0.04123%0.227CC..Hα-helixtrans-58.9-46.8176.1-71.40000111.1E106 L107 H113 A114 L141E106-C110 WeakPolarHBondContact O-CB 3.26Å; E106-C110 PolarHBondContact O-N 3.37Å; E106-C110 PolarHBondContact O-SG 3.03Å; L107-C110 PolarHBondContact O-N 3.44Å; C110-H113 PolarHBondContact O-N 2.85Å; C110-A114 VanDerWaalsContact O-CB 3.31Å; C110-A114 WeakPolarHBondContact O-CB 3.38Å; C110-A114 PolarHBondContact O-N 3.31Å; C110-L141 HydrophobicContact CB-CD1 4.49Å
111W91.8Very high88.6Confident3 Ų345 Ų451%0.01123%0.228CC..Hα-helixtrans-69-39.9179.6-59-18.6000112.3L65 V69 V80 F85 M86 L89 L107 Q109 H113 A114 F115 V124L65-W111 HydrophobicContact CD2-CH2 3.73Å; L65-W111 HydrophobicContact CD2-CZ2 4.29Å; L65-W111 HydrophobicContact CG-CH2 4.09Å; L65-W111 HydrophobicContact CG-CZ2 4.17Å; V69-W111 HydrophobicContact CG2-CZ2 3.92Å; V80-W111 HydrophobicContact CG1-CD2 4.37Å; V80-W111 HydrophobicContact CG1-CE3 3.79Å; V80-W111 HydrophobicContact CG1-CH2 3.94Å; V80-W111 HydrophobicContact CG1-CZ2 4.48Å; V80-W111 HydrophobicContact CG1-CZ3 3.56Å; F85-W111 HydrophobicContact CE1-CZ3 4.47Å; M86-W111 HydrophobicContact CE-CE3 4.02Å; M86-W111 HydrophobicContact CE-CZ3 4.09Å; L89-W111 HydrophobicContact CD1-CH2 4.36Å; L89-W111 HydrophobicContact CD1-CZ3 3.85Å; L107-W111 HydrophobicContact CB-CD2 4.43Å; L107-W111 HydrophobicContact CB-CH2 4Å; L107-W111 HydrophobicContact CB-CZ2 3.81Å; L107-W111 HydrophobicContact CB-CZ3 4.39Å; L107-W111 HydrophobicContact CD1-CH2 4.28Å; L107-W111 HydrophobicContact CD1-CZ2 4.11Å; L107-W111 HydrophobicContact CD2-CZ2 4.17Å; L107-W111 HydrophobicContact CG-CZ2 4.25Å; L107-W111 WeakPolarHBondContact O-CB 3.49Å; L107-W111 VanDerWaalsContact O-CD2 3.26Å; L107-W111 PolarHBondContact O-N 3.34Å; Q109-W111 VanDerWaalsContact C-N 3.34Å; Q109-W111 PolarHBondContact O-N 2.79Å; W111-H113 VanDerWaalsContact C-N 3.27Å; W111-H113 PolarHBondContact O-N 2.56Å; W111-A114 PolarHBondContact O-N 2.88Å; W111-F115 HydrophobicContact CB-CD2 3.96Å; W111-F115 HydrophobicContact CB-CE2 3.8Å; W111-F115 HydrophobicContact CG-CE2 4.26Å; W111-F115 VanDerWaalsContact O-CB 3.25Å; W111-F115 WeakPolarHBondContact O-CB 3.15Å; W111-F115 WeakPolarHBondContact O-CD2 3.47Å; W111-F115 VanDerWaalsContact O-CG 3.29Å; W111-F115 WeakPolarHBondContact O-CG 3.39Å; W111-F115 PolarHBondContact O-N 3.29Å; W111-V124 HydrophobicContact CB-CG1 3.65Å
112A89Confident88.4Confident7 Ų749.7 Ų49.76%0.05824%0.244CC..Hα-helixtrans-61.2-38.3175.800000111.8I108 Q109 R116 V124 H128I108-A112 WeakPolarHBondContact O-CB 2.95Å; I108-A112 PolarHBondContact O-N 3.33Å; Q109-A112 PolarHBondContact O-N 3.22Å; A112-R116 PolarHBondContact O-N 2.97Å; A112-V124 HydrophobicContact CB-CG1 4.37Å; A112-H128 HydrophobicContact CB-CB 3.62Å
113H85.2Confident88.3Confident51 Ų5147.9 Ų47.924%0.23623%0.234CC..Hα-helixtrans-70.7-43.9174.9-175.483.9000112.2Q109 C110 W111 R116 L141 A146Q109-H113 WeakPolarHBondContact O-CB 3.49Å; Q109-H113 PolarHBondContact O-N 3.45Å; C110-H113 PolarHBondContact O-N 2.85Å; W111-H113 VanDerWaalsContact C-N 3.27Å; W111-H113 PolarHBondContact O-N 2.56Å; H113-R116 PolarHBondContact CD2-NH1 2.84Å; H113-R116 PolarHBondContact CE1-NH1 3.03Å; H113-R116 PolarHBondContact NE2-NH1 2.98Å; H113-R116 WeakPolarHBondContact O-CD 3.46Å; H113-R116 VanDerWaalsContact O-CG 3.25Å; H113-R116 WeakPolarHBondContact O-CG 3.39Å; H113-R116 PolarHBondContact O-N 3Å; H113-R116 PolarHBondContact O-NH1 3.39Å; H113-L141 HydrophobicContact CB-CD2 3.61Å; H113-A146 HydrophobicContact CB-CB 4.35Å
114A82.2Confident88.3Confident25 Ų2546.9 Ų46.921%0.20723%0.229CC..Hα-helixtrans-70-31.5-178.200000113C110 W111 A146 F148C110-A114 VanDerWaalsContact O-CB 3.31Å; C110-A114 WeakPolarHBondContact O-CB 3.38Å; C110-A114 PolarHBondContact O-N 3.31Å; W111-A114 PolarHBondContact O-N 2.88Å; A114-A146 HydrophobicContact CB-CB 4.31Å; A114-A146 WeakPolarHBondContact CB-O 3.31Å; A114-F148 HydrophobicContact CB-CD2 4.08Å; A114-F148 HydrophobicContact CB-CE1 4.17Å; A114-F148 HydrophobicContact CB-CE2 3.25Å; A114-F148 HydrophobicContact CB-CZ 3.32Å
115F87.3Confident88.1Confident6 Ų651.2 Ų51.23%0.02625%0.248CC..THydrogen-bonded Turntrans-95.47.5-179.7-60.8-36.7000114.4V69 H77 W111 E117 N118 Y121 V124 F148V69-F115 HydrophobicContact CG1-CZ 4.41Å; H77-F115 HydrophobicContact CB-CE1 4.1Å; H77-F115 HydrophobicContact CB-CZ 3.88Å; H77-F115 AromaticContact CD2-CZ 3.81Å; H77-F115 AromaticContact CE1-CE1 3.87Å; H77-F115 AromaticContact CG-CE1 3.7Å; H77-F115 AromaticContact CG-CZ 3.64Å; H77-F115 AromaticContact ND1-CE1 3.56Å; H77-F115 AromaticContact ND1-CZ 4Å; W111-F115 HydrophobicContact CB-CD2 3.96Å; W111-F115 HydrophobicContact CB-CE2 3.8Å; W111-F115 HydrophobicContact CG-CE2 4.26Å; W111-F115 VanDerWaalsContact O-CB 3.25Å; W111-F115 WeakPolarHBondContact O-CB 3.15Å; W111-F115 WeakPolarHBondContact O-CD2 3.47Å; W111-F115 VanDerWaalsContact O-CG 3.29Å; W111-F115 WeakPolarHBondContact O-CG 3.39Å; W111-F115 PolarHBondContact O-N 3.29Å; F115-E117 VanDerWaalsContact C-N 3.25Å; F115-E117 PolarHBondContact O-N 3.04Å; F115-E117 VanDerWaalsContact O-N 3.13Å; F115-N118 PolarHBondContact O-N 3.4Å; F115-Y121 HydrophobicContact CB-CD2 4.11Å; F115-Y121 HydrophobicContact CB-CG 4.4Å; F115-Y121 AromaticContact CD1-CD2 3.45Å; F115-Y121 HydrophobicContact CD1-CD2 3.45Å; F115-Y121 VanDerWaalsContact CD1-CD2 3.45Å; F115-Y121 HydrophobicContact CD1-CE2 4.05Å; F115-Y121 HydrophobicContact CD1-CG 4.22Å; F115-Y121 HydrophobicContact CD2-CD2 4.38Å; F115-Y121 HydrophobicContact CD2-CG 4.36Å; F115-Y121 AromaticContact CE1-CD2 3.9Å; F115-Y121 HydrophobicContact CE1-CD2 3.9Å; F115-Y121 HydrophobicContact CE1-CE2 4.15Å; F115-Y121 AromaticContact CG-CD2 3.73Å; F115-Y121 HydrophobicContact CG-CD2 3.73Å; F115-Y121 HydrophobicContact CG-CG 4.09Å; F115-V124 HydrophobicContact CD2-CB 4.27Å; F115-V124 HydrophobicContact CD2-CG1 4.37Å; F115-V124 HydrophobicContact CD2-CG2 4Å; F115-V124 HydrophobicContact CE2-CG2 4.39Å; F115-F148 AromaticContact CD1-CE2 3.82Å; F115-F148 HydrophobicContact CD1-CE2 3.82Å; F115-F148 HydrophobicContact CD1-CZ 4.36Å; F115-F148 HydrophobicContact CE1-CD2 4.36Å; F115-F148 AromaticContact CE1-CE2 3.29Å; F115-F148 HydrophobicContact CE1-CE2 3.29Å; F115-F148 AromaticContact CE1-CZ 3.67Å; F115-F148 HydrophobicContact CE1-CZ 3.67Å; F115-F148 AromaticContact CZ-CE2 3.9Å; F115-F148 HydrophobicContact CZ-CE2 3.9Å; F115-F148 AromaticContact CZ-CZ 3.78Å; F115-F148 HydrophobicContact CZ-CZ 3.78Å
116R80.6Confident88Confident121 Ų12154.3 Ų54.346%0.45727%0.265SS..THydrogen-bonded Turntrans-56.5-33.3-171.668.8179.7178-100.213.1115.1A112 H113A112-R116 PolarHBondContact O-N 2.97Å; H113-R116 PolarHBondContact CD2-NH1 2.84Å; H113-R116 PolarHBondContact CE1-NH1 3.03Å; H113-R116 PolarHBondContact NE2-NH1 2.98Å; H113-R116 WeakPolarHBondContact O-CD 3.46Å; H113-R116 VanDerWaalsContact O-CG 3.25Å; H113-R116 WeakPolarHBondContact O-CG 3.39Å; H113-R116 PolarHBondContact O-N 3Å; H113-R116 PolarHBondContact O-NH1 3.39Å
117E77.2Confident88Confident150 Ų15052 Ų5270%0.70125%0.254SS*.THydrogen-bonded Turntrans-92-9-179.5-57.7-50.1136.800112.8F115 P119F115-E117 VanDerWaalsContact C-N 3.25Å; F115-E117 PolarHBondContact O-N 3.04Å; F115-E117 VanDerWaalsContact O-N 3.13Å; E117-P119 WeakPolarHBondContact O-CD 3.49Å
118N80.2Confident88Confident78 Ų7852.7 Ų52.742%0.41726%0.257SS..  trans-98108.8-175.8-81.2-57.8000110.9F115 D120 Y121F115-N118 PolarHBondContact O-N 3.4Å; N118-D120 VanDerWaalsContact C-N 3.26Å; N118-D120 PolarHBondContact O-N 2.71Å; N118-Y121 HydrophobicContact CB-CD2 3.62Å; N118-Y121 HydrophobicContact CB-CE2 4.13Å; N118-Y121 HydrophobicContact CB-CG 4.46Å; N118-Y121 PolarHBondContact O-N 2.97Å
119P82.8Confident87.9Confident106 Ų10655.9 Ų55.969%0.68828%0.275SS*.G310 helixtrans-64.9-29.7-177.126.2-34.4000112.9E117 Y121 R122E117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-Y121 PolarHBondContact O-N 3.19Å; P119-Y121 VanDerWaalsContact O-N 3.16Å; P119-R122 WeakPolarHBondContact O-CB 3.24Å; P119-R122 PolarHBondContact O-N 3.03Å
120D83.1Confident88Confident122 Ų12258.2 Ų58.265%0.65229%0.287SS*.G310 helixtrans-61-23.4179-71.1-10.4000113.1N118N118-D120 VanDerWaalsContact C-N 3.26Å; N118-D120 PolarHBondContact O-N 2.71Å
121Y89.2Confident88.1Confident11 Ų1157.9 Ų57.94%0.04329%0.285CS..G310 helixtrans-113.415.5-175.8-50.4-41.3000112.6H77 K78 A81 F115 N118 P119 I123 V124H77-Y121 HydrophobicContact CB-CE1 3.94Å; H77-Y121 HydrophobicContact CB-CE2 4.07Å; K78-Y121 HydrophobicContact CG-CE1 3.99Å; A81-Y121 HydrophobicContact CB-CD1 3.51Å; A81-Y121 HydrophobicContact CB-CE1 4.38Å; A81-Y121 HydrophobicContact CB-CG 4.11Å; F115-Y121 HydrophobicContact CB-CD2 4.11Å; F115-Y121 HydrophobicContact CB-CG 4.4Å; F115-Y121 AromaticContact CD1-CD2 3.45Å; F115-Y121 HydrophobicContact CD1-CD2 3.45Å; F115-Y121 VanDerWaalsContact CD1-CD2 3.45Å; F115-Y121 HydrophobicContact CD1-CE2 4.05Å; F115-Y121 HydrophobicContact CD1-CG 4.22Å; F115-Y121 HydrophobicContact CD2-CD2 4.38Å; F115-Y121 HydrophobicContact CD2-CG 4.36Å; F115-Y121 AromaticContact CE1-CD2 3.9Å; F115-Y121 HydrophobicContact CE1-CD2 3.9Å; F115-Y121 HydrophobicContact CE1-CE2 4.15Å; F115-Y121 AromaticContact CG-CD2 3.73Å; F115-Y121 HydrophobicContact CG-CD2 3.73Å; F115-Y121 HydrophobicContact CG-CG 4.09Å; N118-Y121 HydrophobicContact CB-CD2 3.62Å; N118-Y121 HydrophobicContact CB-CE2 4.13Å; N118-Y121 HydrophobicContact CB-CG 4.46Å; N118-Y121 PolarHBondContact O-N 2.97Å; P119-Y121 PolarHBondContact O-N 3.19Å; P119-Y121 VanDerWaalsContact O-N 3.16Å; Y121-I123 PolarHBondContact O-N 2.91Å; Y121-V124 PolarHBondContact O-N 3.08Å
122R89.7Confident88Confident164 Ų16462.7 Ų62.762%0.61931%0.306SS*.Hα-helixtrans-48.9-33.9-179.9176-177.4166.9169.14.3112.9P119 V124 K125 D126P119-R122 WeakPolarHBondContact O-CB 3.24Å; P119-R122 PolarHBondContact O-N 3.03Å; R122-V124 PolarHBondContact O-N 2.86Å; R122-V124 VanDerWaalsContact O-N 3.16Å; R122-K125 WeakPolarHBondContact O-CB 3.37Å; R122-K125 PolarHBondContact O-N 3.17Å; R122-D126 WeakPolarHBondContact CG-OD2 3.24Å; R122-D126 IonicContact CZ-OD2 2.96Å; R122-D126 IonicContact NE-OD1 3.99Å; R122-D126 IonicContact NE-OD2 3.55Å; R122-D126 PolarHBondContact NE-OD2 3.29Å; R122-D126 IonicContact NH2-OD2 3.76Å; R122-D126 PolarHBondContact O-N 2.85Å
123I92.2Very high88Confident49 Ų4969.5 Ų69.525%0.25134%0.341SS..Hα-helixtrans-56.2-32.6-179.5-165.3145.7000113.5A81 K83 M86 Y121 D126 T127A81-I123 HydrophobicContact CB-CG2 4.18Å; A81-I123 VanDerWaalsContact O-CG2 3.32Å; A81-I123 WeakPolarHBondContact O-CG2 3.35Å; K83-I123 HydrophobicContact CB-CD1 3.44Å; K83-I123 VanDerWaalsContact CB-CD1 3.44Å; K83-I123 HydrophobicContact CG-CD1 3.94Å; M86-I123 HydrophobicContact CG-CG1 4.5Å; M86-I123 HydrophobicContact CG-CG2 4.46Å; Y121-I123 PolarHBondContact O-N 2.91Å; I123-D126 PolarHBondContact O-N 3.26Å; I123-T127 VanDerWaalsContact O-CB 3.29Å; I123-T127 WeakPolarHBondContact O-CB 3.49Å; I123-T127 PolarHBondContact O-N 3.28Å; I123-T127 PolarHBondContact O-OG1 2.64Å
124V93.1Very high88.2Confident0 Ų072 Ų720%035%0.352CS..Hα-helixtrans-68.1-43.6177.5-173.10000110.7A81 M86 W111 A112 F115 Y121 R122 T127 H128A81-V124 HydrophobicContact CB-CG2 3.87Å; M86-V124 HydrophobicContact CE-CB 4.43Å; M86-V124 HydrophobicContact CE-CG1 4.24Å; M86-V124 HydrophobicContact CE-CG2 3.68Å; M86-V124 HydrophobicContact SD-CB 4.39Å; M86-V124 HydrophobicContact SD-CG1 4.25Å; M86-V124 HydrophobicContact SD-CG2 4.12Å; W111-V124 HydrophobicContact CB-CG1 3.65Å; A112-V124 HydrophobicContact CB-CG1 4.37Å; F115-V124 HydrophobicContact CD2-CB 4.27Å; F115-V124 HydrophobicContact CD2-CG1 4.37Å; F115-V124 HydrophobicContact CD2-CG2 4Å; F115-V124 HydrophobicContact CE2-CG2 4.39Å; Y121-V124 PolarHBondContact O-N 3.08Å; R122-V124 PolarHBondContact O-N 2.86Å; R122-V124 VanDerWaalsContact O-N 3.16Å; V124-T127 PolarHBondContact O-N 3.19Å; V124-H128 WeakPolarHBondContact O-CB 3.49Å; V124-H128 PolarHBondContact O-N 3.39Å
125K90.3Very high88.4Confident92 Ų9273.5 Ų73.540%0.437%0.37SS..Hα-helixtrans-63.7-44.8175.5-176.6179.8-178.8176.80111.4R122 T127 H128 N129R122-K125 WeakPolarHBondContact O-CB 3.37Å; R122-K125 PolarHBondContact O-N 3.17Å; K125-T127 VanDerWaalsContact C-N 3.33Å; K125-T127 PolarHBondContact O-N 3.18Å; K125-H128 PolarHBondContact O-N 3.38Å; K125-N129 WeakPolarHBondContact O-CB 3.17Å; K125-N129 PolarHBondContact O-N 3.35Å; K125-N129 PolarHBondContact O-ND2 3.31Å
126D92.7Very high88.4Confident69 Ų6975 Ų7537%0.36938%0.377SS..Hα-helixtrans-63.2-40.7177.8-70-11.9000111R122 I123 N129 L130R122-D126 WeakPolarHBondContact CG-OD2 3.24Å; R122-D126 IonicContact CZ-OD2 2.96Å; R122-D126 IonicContact NE-OD1 3.99Å; R122-D126 IonicContact NE-OD2 3.55Å; R122-D126 PolarHBondContact NE-OD2 3.29Å; R122-D126 IonicContact NH2-OD2 3.76Å; R122-D126 PolarHBondContact O-N 2.85Å; I123-D126 PolarHBondContact O-N 3.26Å; D126-N129 PolarHBondContact O-N 2.85Å; D126-L130 WeakPolarHBondContact O-CB 3.49Å; D126-L130 PolarHBondContact O-N 2.91Å
127T93.2Very high88.8Confident7 Ų775.1 Ų75.14%0.04339%0.391CS..Hα-helixtrans-61.7-50.2175.1-58.80000111.3M86 K90 I123 V124 K125 N129 L130 M131M86-T127 HydrophobicContact CB-CG2 4.05Å; M86-T127 WeakPolarHBondContact CB-OG1 3.19Å; M86-T127 HydrophobicContact SD-CG2 4.14Å; K90-T127 HydrophobicContact CD-CG2 3.69Å; K90-T127 HydrophobicContact CG-CG2 3.8Å; I123-T127 VanDerWaalsContact O-CB 3.29Å; I123-T127 WeakPolarHBondContact O-CB 3.49Å; I123-T127 PolarHBondContact O-N 3.28Å; I123-T127 PolarHBondContact O-OG1 2.64Å; V124-T127 PolarHBondContact O-N 3.19Å; K125-T127 VanDerWaalsContact C-N 3.33Å; K125-T127 PolarHBondContact O-N 3.18Å; T127-N129 VanDerWaalsContact C-N 3.34Å; T127-N129 PolarHBondContact O-N 3.34Å; T127-L130 PolarHBondContact O-N 3.48Å; T127-M131 HydrophobicContact CG2-SD 4.44Å; T127-M131 WeakPolarHBondContact O-CG 3.45Å; T127-M131 PolarHBondContact O-N 3.49Å
128H93.1Very high89.3Confident17 Ų1769.3 Ų69.38%0.07936%0.364CS..Hα-helixtrans-57.3-45.2176.8169-107.1000112.4I108 A112 V124 K125 M131 K132 F138I108-H128 HydrophobicContact CG2-CB 3.72Å; A112-H128 HydrophobicContact CB-CB 3.62Å; V124-H128 WeakPolarHBondContact O-CB 3.49Å; V124-H128 PolarHBondContact O-N 3.39Å; K125-H128 PolarHBondContact O-N 3.38Å; H128-M131 PolarHBondContact O-N 2.98Å; H128-K132 WeakPolarHBondContact CE1-CE 3.32Å; H128-K132 PolarHBondContact CE1-NZ 2.92Å; H128-K132 WeakPolarHBondContact NE2-CE 3.45Å; H128-K132 WeakPolarHBondContact O-CG 3.44Å; H128-K132 PolarHBondContact O-N 3.46Å; H128-F138 AromaticContact CD2-CD1 3.92Å; H128-F138 AromaticContact CD2-CE1 3.55Å; H128-F138 AromaticContact CD2-CZ 3.69Å
129N92.6Very high89.5Confident68 Ų6868 Ų6836%0.36436%0.36SS..Hα-helixtrans-66.2-40.1178.6-66.9-18000111.9K125 D126 T127 K132 L133K125-N129 WeakPolarHBondContact O-CB 3.17Å; K125-N129 PolarHBondContact O-N 3.35Å; K125-N129 PolarHBondContact O-ND2 3.31Å; D126-N129 PolarHBondContact O-N 2.85Å; T127-N129 VanDerWaalsContact C-N 3.34Å; T127-N129 PolarHBondContact O-N 3.34Å; N129-K132 WeakPolarHBondContact O-CB 3.32Å; N129-K132 PolarHBondContact O-N 3.43Å; N129-L133 WeakPolarHBondContact O-CG 3.38Å; N129-L133 PolarHBondContact O-N 3.24Å
130L92.4Very high89.3Confident70 Ų7069.7 Ų69.737%0.36637%0.367SS..Hα-helixtrans-63-45.3176.3-179.362.4000111.4K90 D126 T127 K132 L133 E134K90-L130 VanDerWaalsContact NZ-CD2 3.33Å; D126-L130 WeakPolarHBondContact O-CB 3.49Å; D126-L130 PolarHBondContact O-N 2.91Å; T127-L130 PolarHBondContact O-N 3.48Å; L130-K132 VanDerWaalsContact C-N 3.29Å; L130-K132 PolarHBondContact O-N 3.43Å; L130-L133 CarbonylContact O-C 3.58Å; L130-L133 WeakPolarHBondContact O-CA 3.37Å; L130-L133 WeakPolarHBondContact O-CB 3.48Å; L130-L133 PolarHBondContact O-N 3.01Å; L130-E134 WeakPolarHBondContact O-CG 3.46Å; L130-E134 PolarHBondContact O-N 2.95Å
131M91.2Very high88.9Confident0 Ų066.1 Ų66.10%035%0.348CS..Hα-helixtrans-63-35.4177.1-70.6-171.481.900112.4K90 T93 L105 I108 T127 H128 L133 E134 G135 H136 F138K90-M131 HydrophobicContact CD-CG 4.32Å; K90-M131 HydrophobicContact CG-CE 4.44Å; K90-M131 HydrophobicContact CG-CG 3.93Å; K90-M131 HydrophobicContact CG-SD 3.78Å; T93-M131 HydrophobicContact CG2-CE 3.91Å; L105-M131 HydrophobicContact CD2-CE 3.5Å; L105-M131 VanDerWaalsContact CD2-CE 3.5Å; L105-M131 HydrophobicContact CD2-SD 4.27Å; I108-M131 HydrophobicContact CD1-SD 3.67Å; T127-M131 HydrophobicContact CG2-SD 4.44Å; T127-M131 WeakPolarHBondContact O-CG 3.45Å; T127-M131 PolarHBondContact O-N 3.49Å; H128-M131 PolarHBondContact O-N 2.98Å; M131-L133 VanDerWaalsContact C-N 3.34Å; M131-E134 PolarHBondContact O-N 3.28Å; M131-G135 PolarHBondContact O-N 2.92Å; M131-H136 HydrophobicContact CB-CB 4.38Å; M131-H136 WeakPolarHBondContact O-CB 3.3Å; M131-H136 PolarHBondContact O-CD2 3.48Å; M131-H136 PolarHBondContact O-N 3.03Å; M131-F138 HydrophobicContact CB-CE2 3.92Å; M131-F138 HydrophobicContact CB-CZ 3.75Å; M131-F138 HydrophobicContact SD-CZ 4.34Å
132K90.1Very high87.9Confident104 Ų10472.9 Ų72.945%0.45237%0.374SS..Hα-helixtrans-62-42171.1-77.7-174.4169.3-175.70112H128 N129 L130 E134 G135 F138H128-K132 WeakPolarHBondContact CE1-CE 3.32Å; H128-K132 PolarHBondContact CE1-NZ 2.92Å; H128-K132 WeakPolarHBondContact NE2-CE 3.45Å; H128-K132 WeakPolarHBondContact O-CG 3.44Å; H128-K132 PolarHBondContact O-N 3.46Å; N129-K132 WeakPolarHBondContact O-CB 3.32Å; N129-K132 PolarHBondContact O-N 3.43Å; L130-K132 VanDerWaalsContact C-N 3.29Å; L130-K132 PolarHBondContact O-N 3.43Å; K132-E134 VanDerWaalsContact C-N 3.35Å; K132-G135 PolarHBondContact O-N 2.93Å; K132-G135 VanDerWaalsContact O-N 3.14Å; K132-F138 HydrophobicContact CB-CE2 4.49Å; K132-F138 HydrophobicContact CD-CD2 4.46Å; K132-F138 HydrophobicContact CG-CD2 3.59Å; K132-F138 HydrophobicContact CG-CE2 3.55Å
133L89.2Confident86.6Confident149 Ų14972.3 Ų72.378%0.7838%0.378SS*.Hα-helixtrans-67.6-33.8176.6-69.1170.1000112.6N129 L130 M131 G135N129-L133 WeakPolarHBondContact O-CG 3.38Å; N129-L133 PolarHBondContact O-N 3.24Å; L130-L133 CarbonylContact O-C 3.58Å; L130-L133 WeakPolarHBondContact O-CA 3.37Å; L130-L133 WeakPolarHBondContact O-CB 3.48Å; L130-L133 PolarHBondContact O-N 3.01Å; M131-L133 VanDerWaalsContact C-N 3.34Å; L133-G135 PolarHBondContact O-N 2.96Å
134E89.4Confident85.1Confident104 Ų10473.5 Ų73.549%0.48639%0.391SS..THydrogen-bonded Turntrans-68.9-8.3172.7-71.2169.117700112.7K90 L130 M131 K132K90-E134 IonicContact NZ-OE1 3.1Å; L130-E134 WeakPolarHBondContact O-CG 3.46Å; L130-E134 PolarHBondContact O-N 2.95Å; M131-E134 PolarHBondContact O-N 3.28Å; K132-E134 VanDerWaalsContact C-N 3.35Å
135G86.7Confident83.8Confident56 Ų5675.1 Ų75.158%0.57740%0.399SS*.THydrogen-bonded Turntrans95.712175.100000114.8M131 K132 L133 V137M131-G135 PolarHBondContact O-N 2.92Å; K132-G135 PolarHBondContact O-N 2.93Å; K132-G135 VanDerWaalsContact O-N 3.14Å; L133-G135 PolarHBondContact O-N 2.96Å; G135-V137 PolarHBondContact O-N 2.9Å
136H88Confident82.7Confident37 Ų3771.1 Ų71.117%0.17138%0.383CS..  trans-68.4126.8174.4-69.6-102.8000110.8T93 L105 M131 F138T93-H136 PolarHBondContact OG1-CE1 3.29Å; L105-H136 HydrophobicContact CD1-CB 4.48Å; L105-H136 HydrophobicContact CD2-CB 3.96Å; M131-H136 HydrophobicContact CB-CB 4.38Å; M131-H136 WeakPolarHBondContact O-CB 3.3Å; M131-H136 PolarHBondContact O-CD2 3.48Å; M131-H136 PolarHBondContact O-N 3.03Å; H136-F138 HydrophobicContact CB-CE2 4.04Å; H136-F138 WeakPolarHBondContact O-CD2 3.4Å
137V87.7Confident81.5Confident125 Ų12573.8 Ų73.876%0.75840%0.395SS*.  trans-85.6115.1174.6-177.30000108.7G135G135-V137 PolarHBondContact O-N 2.9Å
138F87.7Confident80.4Confident27 Ų2776.1 Ų76.112%0.11841%0.405CS..PPolyproline II helixtrans-87146.3178.1-77.1-94.9000111.1L105 I108 Q109 H128 M131 K132 H136L105-F138 HydrophobicContact CB-CD1 3.78Å; L105-F138 HydrophobicContact CB-CE1 3.86Å; L105-F138 HydrophobicContact CD2-CD1 4.15Å; L105-F138 HydrophobicContact CD2-CE1 3.58Å; L105-F138 HydrophobicContact CD2-CE2 4.09Å; L105-F138 HydrophobicContact CD2-CZ 3.55Å; L105-F138 HydrophobicContact CG-CE1 4.33Å; L105-F138 VanDerWaalsContact O-CD1 3.26Å; L105-F138 WeakPolarHBondContact O-CD1 3.49Å; L105-F138 VanDerWaalsContact O-CE1 3.28Å; L105-F138 WeakPolarHBondContact O-CE1 3.49Å; I108-F138 HydrophobicContact CB-CE1 4.44Å; I108-F138 HydrophobicContact CG2-CE1 4.26Å; Q109-F138 HydrophobicContact CB-CD1 3.77Å; Q109-F138 HydrophobicContact CB-CE1 4.26Å; Q109-F138 HydrophobicContact CG-CD1 4.42Å; H128-F138 AromaticContact CD2-CD1 3.92Å; H128-F138 AromaticContact CD2-CE1 3.55Å; H128-F138 AromaticContact CD2-CZ 3.69Å; M131-F138 HydrophobicContact CB-CE2 3.92Å; M131-F138 HydrophobicContact CB-CZ 3.75Å; M131-F138 HydrophobicContact SD-CZ 4.34Å; K132-F138 HydrophobicContact CB-CE2 4.49Å; K132-F138 HydrophobicContact CD-CD2 4.46Å; K132-F138 HydrophobicContact CG-CD2 3.59Å; K132-F138 HydrophobicContact CG-CE2 3.55Å; H136-F138 HydrophobicContact CB-CE2 4.04Å; H136-F138 WeakPolarHBondContact O-CD2 3.4Å
139P84.8Confident78.7Confident52 Ų5280.5 Ų80.534%0.33843%0.433SS..PPolyproline II helixtrans-64.7168174.927.4-33000111.9E106 Q109 L141E106-P139 HydrophobicContact CB-CG 3.91Å; E106-P139 HydrophobicContact CG-CG 4.36Å; Q109-P139 PolarHBondContact NE2-O 2.75Å; Q109-P139 PolarHBondContact OE1-O 3.37Å; P139-L141 PolarHBondContact O-N 2.91Å
140V78.5Confident76.8Confident140 Ų14078 Ų7885%0.84842%0.421SS*.PPolyproline II helixtrans-70.1118.3175.2179.70000108.7
141L74.2Confident75.2Confident48 Ų4881.3 Ų81.325%0.25143%0.434SS..PPolyproline II helixtrans-75.8132.6176.5178.267.1000110.5Q109 C110 H113 P139 A146Q109-L141 HydrophobicContact CG-CB 4.21Å; Q109-L141 HydrophobicContact CG-CD1 4.4Å; Q109-L141 HydrophobicContact CG-CD2 4.41Å; C110-L141 HydrophobicContact CB-CD1 4.49Å; H113-L141 HydrophobicContact CB-CD2 3.61Å; P139-L141 PolarHBondContact O-N 2.91Å; L141-A146 HydrophobicContact CD1-CB 4.45Å
142R69.4Low73.7Confident153 Ų15382.2 Ų82.258%0.57744%0.442SS*.PPolyproline II helixtrans-102.5130.9161.8-57.3178.4-62.3175.35.1108.6S144 D145R142-S144 PolarHBondContact O-N 2.86Å; R142-S144 VanDerWaalsContact O-N 3.14Å; R142-D145 IonicContact CZ-OD1 3.38Å; R142-D145 IonicContact CZ-OD2 3.55Å; R142-D145 VanDerWaalsContact CZ-OD2 3.28Å; R142-D145 IonicContact NE-OD1 3.69Å; R142-D145 IonicContact NE-OD2 3.61Å; R142-D145 PolarHBondContact NE-OD2 2.83Å; R142-D145 VanDerWaalsContact NH2-CG 3.3Å; R142-D145 IonicContact NH2-OD1 2.73Å; R142-D145 PolarHBondContact NH2-OD1 3.47Å; R142-D145 IonicContact NH2-OD2 2.89Å; R142-D145 PolarHBondContact NH2-OD2 3.46Å; R142-D145 WeakPolarHBondContact O-CB 3.4Å; R142-D145 PolarHBondContact O-N 3.31Å
143E61.7Low72.3Confident151 Ų15178.8 Ų78.871%0.70643%0.433SS*.G310 helixtrans-57-32.7-178.9-63.5-175.4159.500112.5D145 A146 M147E143-D145 PolarHBondContact O-N 3.06Å; E143-A146 PolarHBondContact O-N 3.19Å; E143-M147 PolarHBondContact O-N 3.42Å
144S60.5Low71.3Confident75 Ų7573.5 Ų73.552%0.52441%0.407SS..G310 helixtrans-58.9-33.7174.258.10000113.3R142 A146 M147R142-S144 PolarHBondContact O-N 2.86Å; R142-S144 VanDerWaalsContact O-N 3.14Å; S144-A146 VanDerWaalsContact C-N 3.27Å; S144-A146 PolarHBondContact O-N 3.09Å; S144-M147 WeakPolarHBondContact O-CB 3.25Å; S144-M147 PolarHBondContact O-N 3.47Å
145D65.5Low70.2Confident33 Ų3375.8 Ų75.818%0.17642%0.418CS..G310 helixtrans-74.1-24.6-177.2-62.8-21.2000111.4K70 R142 E143K70-D145 WeakPolarHBondContact CE-O 3.4Å; K70-D145 PolarHBondContact NZ-O 3.18Å; R142-D145 IonicContact CZ-OD1 3.38Å; R142-D145 IonicContact CZ-OD2 3.55Å; R142-D145 VanDerWaalsContact CZ-OD2 3.28Å; R142-D145 IonicContact NE-OD1 3.69Å; R142-D145 IonicContact NE-OD2 3.61Å; R142-D145 PolarHBondContact NE-OD2 2.83Å; R142-D145 VanDerWaalsContact NH2-CG 3.3Å; R142-D145 IonicContact NH2-OD1 2.73Å; R142-D145 PolarHBondContact NH2-OD1 3.47Å; R142-D145 IonicContact NH2-OD2 2.89Å; R142-D145 PolarHBondContact NH2-OD2 3.46Å; R142-D145 WeakPolarHBondContact O-CB 3.4Å; R142-D145 PolarHBondContact O-N 3.31Å; E143-D145 PolarHBondContact O-N 3.06Å
146A69Low70Confident8 Ų879.8 Ų79.87%0.06642%0.416CS..G310 helixtrans-87.6-1.6175.500000113.6H113 A114 L141 E143 S144H113-A146 HydrophobicContact CB-CB 4.35Å; A114-A146 HydrophobicContact CB-CB 4.31Å; A114-A146 WeakPolarHBondContact CB-O 3.31Å; L141-A146 HydrophobicContact CD1-CB 4.45Å; E143-A146 PolarHBondContact O-N 3.19Å; S144-A146 VanDerWaalsContact C-N 3.27Å; S144-A146 PolarHBondContact O-N 3.09Å
147M66.3Low69.6Low125 Ų12581.9 Ų81.962%0.61643%0.431SS*.  trans-75.8126.2-179.8-168.7172.765.600111.5E143 S144E143-M147 PolarHBondContact O-N 3.42Å; S144-M147 WeakPolarHBondContact O-CB 3.25Å; S144-M147 PolarHBondContact O-N 3.47Å
148F69.5Low69.5Low57 Ų5780.9 Ų80.925%0.2542%0.421CS..  trans-93.5129.3174.7-61-40.2000111V69 K70 H77 A114 F115V69-F148 HydrophobicContact CG1-CE1 3.97Å; V69-F148 HydrophobicContact CG1-CZ 4.2Å; K70-F148 HydrophobicContact CB-CD1 4.47Å; K70-F148 HydrophobicContact CG-CD1 4.02Å; K70-F148 HydrophobicContact CG-CE1 4.31Å; H77-F148 AromaticContact CE1-CD2 3.94Å; A114-F148 HydrophobicContact CB-CD2 4.08Å; A114-F148 HydrophobicContact CB-CE1 4.17Å; A114-F148 HydrophobicContact CB-CE2 3.25Å; A114-F148 HydrophobicContact CB-CZ 3.32Å; F115-F148 AromaticContact CD1-CE2 3.82Å; F115-F148 HydrophobicContact CD1-CE2 3.82Å; F115-F148 HydrophobicContact CD1-CZ 4.36Å; F115-F148 HydrophobicContact CE1-CD2 4.36Å; F115-F148 AromaticContact CE1-CE2 3.29Å; F115-F148 HydrophobicContact CE1-CE2 3.29Å; F115-F148 AromaticContact CE1-CZ 3.67Å; F115-F148 HydrophobicContact CE1-CZ 3.67Å; F115-F148 AromaticContact CZ-CE2 3.9Å; F115-F148 HydrophobicContact CZ-CE2 3.9Å; F115-F148 AromaticContact CZ-CZ 3.78Å; F115-F148 HydrophobicContact CZ-CZ 3.78Å
149V57.5Low69.5Low109 Ų10981.6 Ų81.666%0.66143%0.43SS*.  trans-85.2-23-170.4178.40000112.5
150S53.7Low69.7Low16 Ų1684.1 Ų84.111%0.11244%0.44CS..  trans-150.9131.6-173.2-174.90000114.8H198S150-H198 PolarHBondContact OG-O 3.25Å
151E58.6Low70.3Confident139 Ų13981.1 Ų81.165%0.6542%0.417SS*.PPolyproline II helixtrans-75.2118.8161.2-70-175.5171.200108.9I199E151-I199 WeakPolarHBondContact O-CA 3.5Å
152A59.3Low71.2Confident19 Ų1978.8 Ų78.816%0.15741%0.405CS..PPolyproline II helixtrans-68.1161.2177.200000112.7C72C72-A152 VanDerWaalsContact C-CB 3.4Å; C72-A152 WeakPolarHBondContact O-CB 3.41Å
153A61.4Low72Confident32 Ų3272.6 Ų72.626%0.26439%0.385SS..PPolyproline II helixtrans-55.2129.8-178.400000110.5I199A153-I199 VanDerWaalsContact CA-CG2 3.42Å; A153-I199 HydrophobicContact CB-CG2 3.65Å; A153-I199 VanDerWaalsContact N-CG2 3.27Å
154P67Low73.2Confident38 Ų3870.4 Ų70.425%0.24737%0.37CS..PPolyproline II helixtrans-62.7147.9-177.725.5-35.9000111.3R179 N180P154-R179 WeakPolarHBondContact CD-O 3.29Å; P154-N180 WeakPolarHBondContact CG-O 2.99Å
155E67.9Low74.6Confident152 Ų15270 Ų7071%0.7137%0.366SS*.PPolyproline II helixtrans-64.5140.3174.3-174.7170.8-16200110.9V157 G182E155-V157 PolarHBondContact O-N 3.33Å; E155-G182 WeakPolarHBondContact O-CA 3.47Å
156W81.3Confident75.9Confident139 Ų13976.6 Ų76.653%0.52739%0.389SS..PPolyproline II helixtrans-82.5116.2-177.1-71.35.2000110.9H177 G182W156-H177 HydrophobicContact CD2-CB 3.62Å; W156-H177 AromaticContact CD2-CG 3.6Å; W156-H177 AromaticContact CD2-ND1 3.73Å; W156-H177 HydrophobicContact CE3-CB 4.01Å; W156-H177 AromaticContact CE3-CE1 3.93Å; W156-H177 AromaticContact CE3-CG 3.68Å; W156-H177 AromaticContact CE3-ND1 3.27Å; W156-H177 VanDerWaalsContact CE3-ND1 3.27Å; W156-H177 HydrophobicContact CG-CB 3.86Å; W156-H177 AromaticContact CG-CD2 3.99Å; W156-H177 AromaticContact CG-CG 3.74Å; W156-H177 HydrophobicContact CZ2-CB 4.37Å; W156-H177 AromaticContact CZ3-ND1 3.86Å; W156-G182 WeakPolarHBondContact CA-O 3.21Å
157V79.9Confident77Confident81 Ų8179.9 Ų79.949%0.49141%0.405SS..PPolyproline II helixtrans-87.2127.5179.5179.50000109.2E155 H177 G182 I184E155-V157 PolarHBondContact O-N 3.33Å; V157-H177 PolarHBondContact O-NE2 2.92Å; V157-G182 PolarHBondContact N-O 3.35Å; V157-I184 WeakPolarHBondContact O-CB 3.35Å
158D85.8Confident78.2Confident105 Ų10579.4 Ų79.456%0.56140%0.401SS*.PPolyproline II helixtrans-88.7140.7169.4-164.126000111.8K175 I184D158-K175 VanDerWaalsContact CG-NZ 3.26Å; D158-K175 WeakPolarHBondContact OD1-CD 3.37Å; D158-K175 WeakPolarHBondContact OD1-CE 3.47Å; D158-K175 IonicContact OD1-NZ 2.79Å; D158-K175 PolarHBondContact OD1-NZ 3.19Å; D158-K175 IonicContact OD2-NZ 3.41Å; D158-K175 PolarHBondContact OD2-NZ 3.49Å; D158-I184 VanDerWaalsContact OD1-CD1 3.25Å; D158-I184 WeakPolarHBondContact OD1-CD1 3.25Å
159S86.8Confident79.4Confident42 Ų4277.9 Ų77.929%0.29439%0.394SS..  trans-151.4155.2174176.60000110.2H161 F169 K175S159-H161 PolarHBondContact O-N 3.06Å; S159-H161 PolarHBondContact OG-N 3.26Å; S159-H161 PolarHBondContact OG-O 3.4Å; S159-F169 VanDerWaalsContact O-CD2 3.26Å; S159-F169 WeakPolarHBondContact O-CD2 3.33Å; S159-F169 WeakPolarHBondContact O-CE2 3.5Å; S159-K175 WeakPolarHBondContact O-CE 3.24Å; S159-K175 PolarHBondContact O-NZ 3.3Å
160N90.1Very high81Confident105 Ų10576.6 Ų76.656%0.56139%0.387SS*.SBendtrans-79.8-6.1175.1-67.8-26.8000113Q168 F169N160-Q168 WeakPolarHBondContact O-CA 3.4Å; N160-Q168 WeakPolarHBondContact O-CG 3.26Å; N160-F169 PolarHBondContact O-N 2.97Å
161H91.9Very high82.7Confident76 Ų7684.3 Ų84.335%0.35243%0.426SS..BIsolated β-bridgetrans-134147.5-179.2-56.882.3000111S159 S163 R166 I167 F169S159-H161 PolarHBondContact O-N 3.06Å; S159-H161 PolarHBondContact OG-N 3.26Å; S159-H161 PolarHBondContact OG-O 3.4Å; H161-S163 PolarHBondContact O-N 3.15Å; H161-R166 PolarHBondContact CD2-O 2.88Å; H161-I167 CarbonylContact C-O 3.27Å; H161-I167 VanDerWaalsContact CA-O 3.29Å; H161-I167 WeakPolarHBondContact CA-O 3.29Å; H161-F169 WeakPolarHBondContact O-CE2 3.47Å
162C91.6Very high84.3Confident0 Ų085.2 Ų85.20%043%0.434CS..  trans-58.6128.7172.41740000110.8R164 R166 I167 F169 C186C162-R164 PolarHBondContact O-N 3.37Å; C162-R164 VanDerWaalsContact O-N 3.15Å; C162-R166 WeakPolarHBondContact O-CA 3.12Å; C162-R166 PolarHBondContact O-N 3.37Å; C162-I167 HydrophobicContact CB-CG2 3.77Å; C162-I167 PolarHBondContact N-O 3.06Å; C162-F169 HydrophobicContact CB-CE1 4.5Å; C162-F169 HydrophobicContact CB-CZ 4.11Å; C162-C186 HydrophobicContact CB-CB 4.33Å; C162-C186 PolarHBondContact SG-N 2.83Å; C162-C186 VanDerWaalsContact SG-N 3.4Å
163S87.4Confident85.7Confident23 Ų2386.2 Ų86.216%0.16144%0.438CS..THydrogen-bonded Turntrans-61.2-26.6-178.8-64.70000113.5H161 R166 E183 I184H161-S163 PolarHBondContact O-N 3.15Å; S163-R166 PolarHBondContact O-NH1 3.01Å; S163-E183 VanDerWaalsContact CB-OE2 3.26Å; S163-E183 WeakPolarHBondContact CB-OE2 3.33Å; S163-I184 WeakPolarHBondContact CB-O 3.45Å; S163-I184 PolarHBondContact N-O 2.71Å; S163-I184 PolarHBondContact OG-O 3.49Å
164R85.4Confident87.1Confident104 Ų10493.5 Ų93.539%0.39246%0.458SS..THydrogen-bonded Turntrans-90.9-58.2179.1177.9166.9176.2-174.94.7114.5C162 F185 C189C162-R164 PolarHBondContact O-N 3.37Å; C162-R164 VanDerWaalsContact O-N 3.15Å; R164-F185 HydrophobicContact CB-CD1 3.83Å; R164-F185 HydrophobicContact CB-CE1 3.8Å; R164-C189 HydrophobicContact CB-CB 4.3Å
165C91.3Very high88.3Confident66 Ų6695.5 Ų95.545%0.44646%0.463SS..THydrogen-bonded Turntrans-99.4-0-173.1740000113.5I167C165-I167 PolarHBondContact O-N 3.29Å; C165-I167 WeakPolarHBondContact SG-CG2 3.32Å
166R91.2Very high89.4Confident172 Ų17290.5 Ų90.565%0.64944%0.44SS*.  trans56.514.6180-54.3-61.7-165.5-158.91.1115.4H161 C162 S163 Q168H161-R166 PolarHBondContact CD2-O 2.88Å; C162-R166 WeakPolarHBondContact O-CA 3.12Å; C162-R166 PolarHBondContact O-N 3.37Å; S163-R166 PolarHBondContact O-NH1 3.01Å; R166-Q168 PolarHBondContact O-N 3.2Å
167I92.2Very high89.7Confident77 Ų7785.7 Ų85.740%0.39542%0.423SS..PPolyproline II helixtrans-63.3134.3173.2-164.8167.8000109.5H161 C162 C165 T173 C186H161-I167 CarbonylContact C-O 3.27Å; H161-I167 VanDerWaalsContact CA-O 3.29Å; H161-I167 WeakPolarHBondContact CA-O 3.29Å; C162-I167 HydrophobicContact CB-CG2 3.77Å; C162-I167 PolarHBondContact N-O 3.06Å; C165-I167 PolarHBondContact O-N 3.29Å; C165-I167 WeakPolarHBondContact SG-CG2 3.32Å; I167-T173 HydrophobicContact CD1-CG2 4.06Å; I167-C186 HydrophobicContact CG2-CB 3.93Å
168Q92.8Very high90Very high116 Ų11681.9 Ų81.954%0.54240%0.4SS..BIsolated β-bridgetrans-69.4137.3176.6-166.3176.1-7.300110.4N160 R166 T173N160-Q168 WeakPolarHBondContact O-CA 3.4Å; N160-Q168 WeakPolarHBondContact O-CG 3.26Å; R166-Q168 PolarHBondContact O-N 3.2Å; Q168-T173 PolarHBondContact O-OG1 2.86Å
169F94Very high89.9Confident24 Ų2480.7 Ų80.711%0.10539%0.388CS..PPolyproline II helixtrans-75.8135.6173.2-63.8-64.9000110.3S159 N160 H161 C162 T173 R174 K175 I184 C186S159-F169 VanDerWaalsContact O-CD2 3.26Å; S159-F169 WeakPolarHBondContact O-CD2 3.33Å; S159-F169 WeakPolarHBondContact O-CE2 3.5Å; N160-F169 PolarHBondContact O-N 2.97Å; H161-F169 WeakPolarHBondContact O-CE2 3.47Å; C162-F169 HydrophobicContact CB-CE1 4.5Å; C162-F169 HydrophobicContact CB-CZ 4.11Å; F169-T173 WeakPolarHBondContact CA-O 3.45Å; F169-T173 WeakPolarHBondContact CB-O 3.37Å; F169-T173 WeakPolarHBondContact CD1-O 3.13Å; F169-R174 WeakPolarHBondContact CD1-O 2.97Å; F169-R174 WeakPolarHBondContact CE1-O 3.47Å; F169-K175 HydrophobicContact CB-CG 3.96Å; F169-K175 HydrophobicContact CD1-CB 4.5Å; F169-K175 HydrophobicContact CD1-CG 3.83Å; F169-K175 HydrophobicContact CD2-CD 4.25Å; F169-K175 HydrophobicContact CD2-CG 3.55Å; F169-K175 HydrophobicContact CE1-CG 4.16Å; F169-K175 HydrophobicContact CE2-CG 3.89Å; F169-K175 HydrophobicContact CG-CD 4.46Å; F169-K175 HydrophobicContact CG-CG 3.5Å; F169-K175 HydrophobicContact CZ-CG 4.19Å; F169-I184 HydrophobicContact CE2-CB 4.37Å; F169-I184 HydrophobicContact CE2-CD1 3.94Å; F169-I184 HydrophobicContact CE2-CG1 3.81Å; F169-I184 HydrophobicContact CE2-CG2 3.8Å; F169-I184 HydrophobicContact CZ-CB 4.46Å; F169-I184 HydrophobicContact CZ-CD1 4.36Å; F169-I184 HydrophobicContact CZ-CG1 3.79Å; F169-I184 HydrophobicContact CZ-CG2 4.23Å; F169-C186 HydrophobicContact CE1-CB 4.28Å
170T91.5Very high89.4Confident82 Ų8280.3 Ų80.350%0.50338%0.382SS..  trans-136.1-175.8-177.967.40000109.4I172 T173T170-I172 PolarHBondContact O-N 3.19Å; T170-I172 PolarHBondContact OG1-N 3.01Å; T170-T173 WeakPolarHBondContact CB-OG1 3.26Å; T170-T173 PolarHBondContact N-O 2.67Å; T170-T173 PolarHBondContact N-OG1 3.26Å; T170-T173 CarbonylContact O-C 3.59Å; T170-T173 PolarHBondContact OG1-N 2.82Å; T170-T173 VanDerWaalsContact OG1-N 3.15Å; T170-T173 PolarHBondContact OG1-OG1 2.8Å
171L89.1Confident88.9Confident179 Ų17976.8 Ų76.894%0.93737%0.366SS*.SBendtrans-58.2-27.9173.9-68.1169.3000112.9
172I91.4Very high88.3Confident158 Ų15873.2 Ų73.281%0.8135%0.349SS*.SBendtrans-96.1-44.2179.4-53.1172.9000110.8T170 R174T170-I172 PolarHBondContact O-N 3.19Å; T170-I172 PolarHBondContact OG1-N 3.01Å; I172-R174 PolarHBondContact O-N 3.25Å
173T90.5Very high88.1Confident40 Ų4077.1 Ų77.125%0.24537%0.367CS..SBendtrans-83.692.7175.134.10000110.7I167 Q168 F169 T170I167-T173 HydrophobicContact CD1-CG2 4.06Å; Q168-T173 PolarHBondContact O-OG1 2.86Å; F169-T173 WeakPolarHBondContact CA-O 3.45Å; F169-T173 WeakPolarHBondContact CB-O 3.37Å; F169-T173 WeakPolarHBondContact CD1-O 3.13Å; T170-T173 WeakPolarHBondContact CB-OG1 3.26Å; T170-T173 PolarHBondContact N-O 2.67Å; T170-T173 PolarHBondContact N-OG1 3.26Å; T170-T173 CarbonylContact O-C 3.59Å; T170-T173 PolarHBondContact OG1-N 2.82Å; T170-T173 VanDerWaalsContact OG1-N 3.15Å; T170-T173 PolarHBondContact OG1-OG1 2.8Å
174R89.9Confident88.2Confident185 Ų18576 Ų7670%0.69836%0.359SS*.  trans-79.3156.1-179.5-60.1-176.770.2-176.22113F169 I172 H176F169-R174 WeakPolarHBondContact CD1-O 2.97Å; F169-R174 WeakPolarHBondContact CE1-O 3.47Å; I172-R174 PolarHBondContact O-N 3.25Å; R174-H176 PolarHBondContact O-CD2 3.37Å; R174-H176 VanDerWaalsContact O-CD2 3.31Å
175K91.7Very high88.5Confident79 Ų7971.1 Ų71.134%0.34334%0.341SS..  trans-81.3132.6178.4-73.2179.2173.6-165.40111.6D158 S159 F169 I184D158-K175 VanDerWaalsContact CG-NZ 3.26Å; D158-K175 WeakPolarHBondContact OD1-CD 3.37Å; D158-K175 WeakPolarHBondContact OD1-CE 3.47Å; D158-K175 IonicContact OD1-NZ 2.79Å; D158-K175 PolarHBondContact OD1-NZ 3.19Å; D158-K175 IonicContact OD2-NZ 3.41Å; D158-K175 PolarHBondContact OD2-NZ 3.49Å; S159-K175 WeakPolarHBondContact O-CE 3.24Å; S159-K175 PolarHBondContact O-NZ 3.3Å; F169-K175 HydrophobicContact CB-CG 3.96Å; F169-K175 HydrophobicContact CD1-CB 4.5Å; F169-K175 HydrophobicContact CD1-CG 3.83Å; F169-K175 HydrophobicContact CD2-CD 4.25Å; F169-K175 HydrophobicContact CD2-CG 3.55Å; F169-K175 HydrophobicContact CE1-CG 4.16Å; F169-K175 HydrophobicContact CE2-CG 3.89Å; F169-K175 HydrophobicContact CG-CD 4.46Å; F169-K175 HydrophobicContact CG-CG 3.5Å; F169-K175 HydrophobicContact CZ-CG 4.19Å; K175-I184 HydrophobicContact CB-CD1 3.57Å; K175-I184 HydrophobicContact CB-CG1 3.95Å; K175-I184 HydrophobicContact CD-CD1 3.49Å; K175-I184 VanDerWaalsContact CD-CD1 3.49Å; K175-I184 HydrophobicContact CG-CD1 3.45Å; K175-I184 VanDerWaalsContact CG-CD1 3.45Å; K175-I184 HydrophobicContact CG-CG1 4.16Å
176H91Very high88.6Confident47 Ų4768.4 Ų68.422%0.21832%0.323CS..EExtended strand (participates in β ladder)trans-136.7126.7175.7-57.6-87.3000112R174 I184 F185 S190 R206R174-H176 PolarHBondContact O-CD2 3.37Å; R174-H176 VanDerWaalsContact O-CD2 3.31Å; H176-I184 CarbonylContact O-C 3.59Å; H176-F185 WeakPolarHBondContact CB-O 3.33Å; H176-F185 PolarHBondContact N-O 3.25Å; H176-F185 PolarHBondContact O-N 3Å; H176-S190 WeakPolarHBondContact CB-OG 3.46Å; H176-R206 PolarHBondContact ND1-NH1 2.94Å
177H88.9Confident88.4Confident38 Ų3864.1 Ų64.118%0.17631%0.313CS..EExtended strand (participates in β ladder)trans-87.5135.5177.8-59.6102.9000112.4W156 V157 R179 E183W156-H177 HydrophobicContact CD2-CB 3.62Å; W156-H177 AromaticContact CD2-CG 3.6Å; W156-H177 AromaticContact CD2-ND1 3.73Å; W156-H177 HydrophobicContact CE3-CB 4.01Å; W156-H177 AromaticContact CE3-CE1 3.93Å; W156-H177 AromaticContact CE3-CG 3.68Å; W156-H177 AromaticContact CE3-ND1 3.27Å; W156-H177 VanDerWaalsContact CE3-ND1 3.27Å; W156-H177 HydrophobicContact CG-CB 3.86Å; W156-H177 AromaticContact CG-CD2 3.99Å; W156-H177 AromaticContact CG-CG 3.74Å; W156-H177 HydrophobicContact CZ2-CB 4.37Å; W156-H177 AromaticContact CZ3-ND1 3.86Å; V157-H177 PolarHBondContact O-NE2 2.92Å; H177-R179 PolarHBondContact O-NH1 3.42Å; H177-E183 WeakPolarHBondContact CA-O 3.28Å
178C86.5Confident88.2Confident1 Ų169.3 Ų69.31%0.00733%0.333CS..  trans-76.1127.4168.3177.80000109.4N180 C181 G182 E183 F185 L208C178-N180 PolarHBondContact O-N 3Å; C178-N180 PolarHBondContact SG-N 3.12Å; C178-N180 VanDerWaalsContact SG-N 3.44Å; C178-C181 VanDerWaalsContact CB-SG 3.52Å; C178-G182 VanDerWaalsContact O-CA 3.26Å; C178-G182 WeakPolarHBondContact O-CA 3.49Å; C178-G182 PolarHBondContact O-N 3.23Å; C178-E183 PolarHBondContact N-O 2.81Å; C178-F185 HydrophobicContact CB-CD2 3.77Å; C178-F185 HydrophobicContact CB-CE2 3.47Å; C178-F185 VanDerWaalsContact CB-CE2 3.47Å; C178-L208 PolarHBondContact SG-N 3.35Å
179R83.1Confident88Confident81 Ų8164.4 Ų64.431%0.30631%0.311SS..THydrogen-bonded Turntrans-73-17178.9-78.171.1158.6161.2-5.8113.3P154 H177 L196 V205 R206P154-R179 WeakPolarHBondContact CD-O 3.29Å; H177-R179 PolarHBondContact O-NH1 3.42Å; R179-L196 HydrophobicContact CB-CD1 3.94Å; R179-V205 HydrophobicContact CB-CB 3.98Å; R179-V205 HydrophobicContact CB-CG2 3.63Å; R179-V205 HydrophobicContact CG-CB 3.84Å; R179-V205 HydrophobicContact CG-CG1 4.42Å; R179-V205 HydrophobicContact CG-CG2 4.06Å; R179-R206 WeakPolarHBondContact CD-O 3.44Å; R179-R206 PolarHBondContact N-O 3.44Å
180N75.9Confident87.7Confident33 Ų3363.3 Ų63.318%0.17631%0.306CS..THydrogen-bonded Turntrans-86.3-33.4178.7-167.1106.6000114.1P154 C178 L196 H198P154-N180 WeakPolarHBondContact CG-O 2.99Å; C178-N180 PolarHBondContact O-N 3Å; C178-N180 PolarHBondContact SG-N 3.12Å; C178-N180 VanDerWaalsContact SG-N 3.44Å; N180-L196 HydrophobicContact CB-CD1 3.78Å; N180-L196 HydrophobicContact CB-CD2 4.14Å; N180-L196 WeakPolarHBondContact OD1-CD2 3.44Å; N180-H198 PolarHBondContact OD1-CE1 3.47Å; N180-H198 VanDerWaalsContact OD1-CE1 3.23Å
181C80.2Confident87.3Confident32 Ų3263.2 Ų63.222%0.21631%0.309CS..THydrogen-bonded Turntrans-124.3-6-176.866.10000114.1C178 E183 L211C178-C181 VanDerWaalsContact CB-SG 3.52Å; C181-E183 PolarHBondContact O-N 3.19Å; C181-L211 HydrophobicContact CB-CD1 3.85Å
182G79.1Confident86.9Confident0 Ų061.3 Ų61.30%029%0.289CS..  trans74.4-15179.100000114.7E155 W156 V157 C178E155-G182 WeakPolarHBondContact O-CA 3.47Å; W156-G182 WeakPolarHBondContact CA-O 3.21Å; V157-G182 PolarHBondContact N-O 3.35Å; C178-G182 VanDerWaalsContact O-CA 3.26Å; C178-G182 WeakPolarHBondContact O-CA 3.49Å; C178-G182 PolarHBondContact O-N 3.23Å
183E86.6Confident86.5Confident82 Ų8257.6 Ų57.638%0.38327%0.271SS..  trans-67.4160.3179.4-64.4-169.7155.200113.8S163 H177 C178 C181 F185S163-E183 VanDerWaalsContact CB-OE2 3.26Å; S163-E183 WeakPolarHBondContact CB-OE2 3.33Å; H177-E183 WeakPolarHBondContact CA-O 3.28Å; C178-E183 PolarHBondContact N-O 2.81Å; C181-E183 PolarHBondContact O-N 3.19Å; E183-F185 HydrophobicContact CB-CD2 4.5Å; E183-F185 HydrophobicContact CB-CE2 3.53Å; E183-F185 HydrophobicContact CB-CZ 3.6Å; E183-F185 VanDerWaalsContact O-CD2 3.23Å; E183-F185 WeakPolarHBondContact O-CD2 3.28Å; E183-F185 VanDerWaalsContact O-CE2 3.23Å; E183-F185 WeakPolarHBondContact O-CE2 3.43Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.23Å
184I90.3Very high85.7Confident0 Ų058 Ų580%027%0.271CS..EExtended strand (participates in β ladder)trans-98.4132.4-176-157.6167.7000112.7V157 D158 S163 F169 K175 H176V157-I184 WeakPolarHBondContact O-CB 3.35Å; D158-I184 VanDerWaalsContact OD1-CD1 3.25Å; D158-I184 WeakPolarHBondContact OD1-CD1 3.25Å; S163-I184 WeakPolarHBondContact CB-O 3.45Å; S163-I184 PolarHBondContact N-O 2.71Å; S163-I184 PolarHBondContact OG-O 3.49Å; F169-I184 HydrophobicContact CE2-CB 4.37Å; F169-I184 HydrophobicContact CE2-CD1 3.94Å; F169-I184 HydrophobicContact CE2-CG1 3.81Å; F169-I184 HydrophobicContact CE2-CG2 3.8Å; F169-I184 HydrophobicContact CZ-CB 4.46Å; F169-I184 HydrophobicContact CZ-CD1 4.36Å; F169-I184 HydrophobicContact CZ-CG1 3.79Å; F169-I184 HydrophobicContact CZ-CG2 4.23Å; K175-I184 HydrophobicContact CB-CD1 3.57Å; K175-I184 HydrophobicContact CB-CG1 3.95Å; K175-I184 HydrophobicContact CD-CD1 3.49Å; K175-I184 VanDerWaalsContact CD-CD1 3.49Å; K175-I184 HydrophobicContact CG-CD1 3.45Å; K175-I184 VanDerWaalsContact CG-CD1 3.45Å; K175-I184 HydrophobicContact CG-CG1 4.16Å; H176-I184 CarbonylContact O-C 3.59Å
185F91.8Very high84.8Confident1 Ų151.9 Ų51.90%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-134.9156.4-174.8-60.5-78.9000111.2R164 H176 C178 E183 C189 L208R164-F185 HydrophobicContact CB-CD1 3.83Å; R164-F185 HydrophobicContact CB-CE1 3.8Å; H176-F185 WeakPolarHBondContact CB-O 3.33Å; H176-F185 PolarHBondContact N-O 3.25Å; H176-F185 PolarHBondContact O-N 3Å; C178-F185 HydrophobicContact CB-CD2 3.77Å; C178-F185 HydrophobicContact CB-CE2 3.47Å; C178-F185 VanDerWaalsContact CB-CE2 3.47Å; E183-F185 HydrophobicContact CB-CD2 4.5Å; E183-F185 HydrophobicContact CB-CE2 3.53Å; E183-F185 HydrophobicContact CB-CZ 3.6Å; E183-F185 VanDerWaalsContact O-CD2 3.23Å; E183-F185 WeakPolarHBondContact O-CD2 3.28Å; E183-F185 VanDerWaalsContact O-CE2 3.23Å; E183-F185 WeakPolarHBondContact O-CE2 3.43Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.23Å; F185-C189 HydrophobicContact CB-CB 3.98Å; F185-C189 HydrophobicContact CD1-CB 4.11Å; F185-C189 HydrophobicContact CG-CB 4.42Å; F185-L208 HydrophobicContact CD1-CD1 4.18Å; F185-L208 HydrophobicContact CE1-CD1 4.13Å; F185-L208 HydrophobicContact CE1-CD2 3.72Å; F185-L208 HydrophobicContact CE1-CG 4.41Å; F185-L208 HydrophobicContact CE2-CB 4.41Å; F185-L208 HydrophobicContact CE2-CD2 4.49Å; F185-L208 HydrophobicContact CZ-CB 4.39Å; F185-L208 HydrophobicContact CZ-CD2 3.68Å; F185-L208 HydrophobicContact CZ-CG 4.41Å
186C92.4Very high83.6Confident10 Ų1048.2 Ų48.27%0.06824%0.24CC..  trans-74.8164.516468.80000110.3C162 I167 F169 K188 C189 S190C162-C186 HydrophobicContact CB-CB 4.33Å; C162-C186 PolarHBondContact SG-N 2.83Å; C162-C186 VanDerWaalsContact SG-N 3.4Å; I167-C186 HydrophobicContact CG2-CB 3.93Å; F169-C186 HydrophobicContact CE1-CB 4.28Å; C186-K188 VanDerWaalsContact C-N 3.3Å; C186-K188 PolarHBondContact O-N 3.38Å; C186-C189 PolarHBondContact O-N 3.43Å; C186-S190 PolarHBondContact O-N 3.37Å; C186-S190 VanDerWaalsContact O-N 3.1Å; C186-S190 PolarHBondContact O-OG 3.43Å
187D88.6Confident82Confident81 Ų8150.4 Ų50.443%0.43326%0.258SS..G310 helixtrans-57-43.1-178.6-171.259000112.4C189 S190 S191 R206D187-C189 PolarHBondContact O-N 3.05Å; D187-S190 CarbonylContact O-C 3.44Å; D187-S190 PolarHBondContact O-N 2.89Å; D187-S191 WeakPolarHBondContact O-CA 3.46Å; D187-S191 WeakPolarHBondContact O-CB 3.47Å; D187-S191 PolarHBondContact O-N 2.84Å; D187-R206 IonicContact OD1-CZ 3.54Å; D187-R206 IonicContact OD1-NH1 2.71Å; D187-R206 PolarHBondContact OD1-NH1 2.83Å; D187-R206 IonicContact OD1-NH2 3.04Å; D187-R206 PolarHBondContact OD1-NH2 3.48Å
188K87.8Confident80.6Confident187 Ų18752.4 Ų52.481%0.81327%0.268SS*.G310 helixtrans-58.6-33.3176.6-63.5-173.6-178.6-175.10113.5C186C186-K188 VanDerWaalsContact C-N 3.3Å; C186-K188 PolarHBondContact O-N 3.38Å
189C88.7Confident79.3Confident13 Ų1352.7 Ų52.79%0.08827%0.269CS..G310 helixtrans-84.1-21.1179.4-74.30000112.6R164 F185 C186 D187 L208R164-C189 HydrophobicContact CB-CB 4.3Å; F185-C189 HydrophobicContact CB-CB 3.98Å; F185-C189 HydrophobicContact CD1-CB 4.11Å; F185-C189 HydrophobicContact CG-CB 4.42Å; C186-C189 PolarHBondContact O-N 3.43Å; D187-C189 PolarHBondContact O-N 3.05Å; C189-L208 HydrophobicContact CB-CD1 4.45Å; C189-L208 WeakPolarHBondContact O-CD1 3.43Å
190S87.5Confident78.1Confident0 Ų050.9 Ų50.90%028%0.275CS..SBendtrans-12335.6-175.360.20000112.6H176 C186 D187 R192 R206H176-S190 WeakPolarHBondContact CB-OG 3.46Å; C186-S190 PolarHBondContact O-N 3.37Å; C186-S190 VanDerWaalsContact O-N 3.1Å; C186-S190 PolarHBondContact O-OG 3.43Å; D187-S190 CarbonylContact O-C 3.44Å; D187-S190 PolarHBondContact O-N 2.89Å; S190-R192 VanDerWaalsContact C-N 3.31Å; S190-R192 PolarHBondContact O-N 2.99Å; S190-R206 WeakPolarHBondContact O-CD 3.36Å; S190-R206 VanDerWaalsContact O-CG 3.24Å; S190-R206 WeakPolarHBondContact O-CG 3.24Å; S190-R206 PolarHBondContact O-NE 2.89Å; S190-R206 PolarHBondContact O-NH1 3.43Å; S190-R206 VanDerWaalsContact O-NH1 3.15Å; S190-R206 PolarHBondContact OG-NH1 2.91Å
191S82.5Confident77.5Confident81 Ų8151.4 Ų51.457%0.56628%0.277SS*.  trans-78.3-7.2-169.955.50000115.2D187D187-S191 WeakPolarHBondContact O-CA 3.46Å; D187-S191 WeakPolarHBondContact O-CB 3.47Å; D187-S191 PolarHBondContact O-N 2.84Å
192R81.2Confident76.5Confident139 Ų13958.2 Ų58.253%0.52531%0.306SS..EExtended strand (participates in β ladder)trans-108147.7-179.3-65.9-158.9-172.4175.1-3.1112.1S190 R206 C207 L209S190-R192 VanDerWaalsContact C-N 3.31Å; S190-R192 PolarHBondContact O-N 2.99Å; R192-R206 WeakPolarHBondContact O-CA 3.37Å; R192-C207 PolarHBondContact O-N 3.39Å; R192-L209 VanDerWaalsContact NH1-CD1 3.28Å
193N82.8Confident75.8Confident79 Ų7966.4 Ų66.442%0.42234%0.342SS..EExtended strand (participates in β ladder)trans-111.2138.1169.1-55.6-33.1000109E204 V205 R206N193-E204 HydrophobicContact CB-CB 3.95Å; N193-V205 CarbonylContact C-O 3.36Å; N193-V205 WeakPolarHBondContact CA-O 3.39Å; N193-R206 VanDerWaalsContact OD1-CA 3.24Å; N193-R206 WeakPolarHBondContact OD1-CA 3.34Å; N193-R206 PolarHBondContact OD1-N 3.49Å
194L73.3Confident75.3Confident48 Ų4869.1 Ų69.125%0.25136%0.355SS..EExtended strand (participates in β ladder)trans-144.5147.2179.9-71.8167.5000109.3V205 L212L194-V205 PolarHBondContact N-O 3.33Å; L194-V205 WeakPolarHBondContact O-CG2 3.39Å; L194-V205 PolarHBondContact O-N 3.03Å; L194-L212 HydrophobicContact CB-CD1 4.36Å; L194-L212 HydrophobicContact CD1-CD1 3.32Å; L194-L212 HydrophobicContact CG-CD1 4.43Å
195P71.7Confident74.9Confident57 Ų5770.4 Ų70.437%0.3736%0.362SS..EExtended strand (participates in β ladder)trans-68.9145.1170.131.3-32.5000109.6P197 E202P195-P197 WeakPolarHBondContact O-CD 3.49Å; P195-E202 WeakPolarHBondContact CB-O 3.37Å
196L66.7Low74.6Confident2 Ų272.7 Ų72.71%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-121.876.7177.7-56.7-179000110.6R179 N180 H198 I199 G200 I201 V205 L212R179-L196 HydrophobicContact CB-CD1 3.94Å; N180-L196 HydrophobicContact CB-CD1 3.78Å; N180-L196 HydrophobicContact CB-CD2 4.14Å; N180-L196 WeakPolarHBondContact OD1-CD2 3.44Å; L196-H198 VanDerWaalsContact C-N 3.31Å; L196-H198 PolarHBondContact O-N 3.38Å; L196-I199 HydrophobicContact CB-CB 4.45Å; L196-I199 HydrophobicContact CB-CD1 4.48Å; L196-I199 HydrophobicContact CB-CG1 4.44Å; L196-I199 HydrophobicContact CD1-CD1 3.98Å; L196-I199 PolarHBondContact O-N 3.26Å; L196-G200 PolarHBondContact O-N 2.75Å; L196-I201 CarbonylContact C-O 3.49Å; L196-I201 VanDerWaalsContact C-O 3.27Å; L196-I201 HydrophobicContact CB-CB 4.24Å; L196-I201 PolarHBondContact N-O 2.97Å; L196-I201 PolarHBondContact O-N 3.03Å; L196-V205 HydrophobicContact CD1-CG2 3.86Å; L196-V205 HydrophobicContact CG-CG2 3.86Å; L196-L212 HydrophobicContact CD2-CD2 4.36Å
197P56.2Low74.1Confident94 Ų9472.2 Ų72.261%0.6137%0.368SS*.G310 helixtrans-60.6-33.3-176.6-25.135.2000114.4P195 I199 G200P195-P197 WeakPolarHBondContact O-CD 3.49Å; P197-I199 PolarHBondContact O-N 2.72Å; P197-G200 WeakPolarHBondContact O-CA 3.46Å; P197-G200 PolarHBondContact O-N 3.5Å
198H58.9Low73.6Confident80 Ų8068.9 Ų68.937%0.3735%0.35SS..G310 helixtrans-62.2-24.6178.864.4-79.2000113.8S150 N180 L196S150-H198 PolarHBondContact OG-O 3.25Å; N180-H198 PolarHBondContact OD1-CE1 3.47Å; N180-H198 VanDerWaalsContact OD1-CE1 3.23Å; L196-H198 VanDerWaalsContact C-N 3.31Å; L196-H198 PolarHBondContact O-N 3.38Å
199I61.1Low72.5Confident7 Ų763 Ų634%0.03633%0.327CS..G310 helixtrans-95.8-4.5174.8-50.7-173.9000111.3E151 A153 L196 P197 I201E151-I199 WeakPolarHBondContact O-CA 3.5Å; A153-I199 VanDerWaalsContact CA-CG2 3.42Å; A153-I199 HydrophobicContact CB-CG2 3.65Å; A153-I199 VanDerWaalsContact N-CG2 3.27Å; L196-I199 HydrophobicContact CB-CB 4.45Å; L196-I199 HydrophobicContact CB-CD1 4.48Å; L196-I199 HydrophobicContact CB-CG1 4.44Å; L196-I199 HydrophobicContact CD1-CD1 3.98Å; L196-I199 PolarHBondContact O-N 3.26Å; P197-I199 PolarHBondContact O-N 2.72Å; I199-I201 HydrophobicContact CB-CG1 4.36Å; I199-I201 HydrophobicContact CG2-CD1 4.14Å; I199-I201 HydrophobicContact CG2-CG1 4.23Å
200G57.3Low71Confident42 Ų4270.8 Ų70.843%0.43336%0.355SS..THydrogen-bonded Turntrans80.219.7-173.800000114.2L196 P197L196-G200 PolarHBondContact O-N 2.75Å; P197-G200 WeakPolarHBondContact O-CA 3.46Å; P197-G200 PolarHBondContact O-N 3.5Å
201I62.6Low69.5Low44 Ų4474.5 Ų74.523%0.22637%0.374CS..EExtended strand (participates in β ladder)trans-10192.6177.5-51177.2000108.9L196 I199 K203 V205L196-I201 CarbonylContact C-O 3.49Å; L196-I201 VanDerWaalsContact C-O 3.27Å; L196-I201 HydrophobicContact CB-CB 4.24Å; L196-I201 PolarHBondContact N-O 2.97Å; L196-I201 PolarHBondContact O-N 3.03Å; I199-I201 HydrophobicContact CB-CG1 4.36Å; I199-I201 HydrophobicContact CG2-CD1 4.14Å; I199-I201 HydrophobicContact CG2-CG1 4.23Å; I201-K203 VanDerWaalsContact C-N 3.26Å; I201-K203 WeakPolarHBondContact CG2-O 3.45Å; I201-K203 PolarHBondContact O-N 3.28Å; I201-V205 HydrophobicContact CD1-CG2 4.35Å; I201-V205 HydrophobicContact CG2-CB 4.43Å; I201-V205 HydrophobicContact CG2-CG1 3.64Å; I201-V205 HydrophobicContact CG2-CG2 3.91Å
202E60.1Low68.1Low175 Ų17571.9 Ų71.982%0.81835%0.353SS*.EExtended strand (participates in β ladder)trans-73.5-18.8178.2-63-179.6167.700113.3P195P195-E202 WeakPolarHBondContact CB-O 3.37Å
203K64.2Low66.6Low173 Ų17370 Ų7075%0.75235%0.353SS*.EExtended strand (participates in β ladder)trans-87.2149.3179.3-64.9-179.5-178.5175.70111.5I201 V205I201-K203 VanDerWaalsContact C-N 3.26Å; I201-K203 WeakPolarHBondContact CG2-O 3.45Å; I201-K203 PolarHBondContact O-N 3.28Å; K203-V205 PolarHBondContact O-N 3.09Å
204E76.4Confident64.9Low139 Ų13969.7 Ų69.765%0.6536%0.357SS*.EExtended strand (participates in β ladder)trans-62.4121.2175.9-72.8-173.3-17600112.4N193N193-E204 HydrophobicContact CB-CB 3.95Å
205V80.3Confident63.5Low27 Ų2769.4 Ų69.416%0.16436%0.362CS..EExtended strand (participates in β ladder)trans-128.4152.2178.3-70.30000111.7R179 N193 L194 L196 I201 K203 C207R179-V205 HydrophobicContact CB-CB 3.98Å; R179-V205 HydrophobicContact CB-CG2 3.63Å; R179-V205 HydrophobicContact CG-CB 3.84Å; R179-V205 HydrophobicContact CG-CG1 4.42Å; R179-V205 HydrophobicContact CG-CG2 4.06Å; N193-V205 CarbonylContact C-O 3.36Å; N193-V205 WeakPolarHBondContact CA-O 3.39Å; L194-V205 PolarHBondContact N-O 3.33Å; L194-V205 WeakPolarHBondContact O-CG2 3.39Å; L194-V205 PolarHBondContact O-N 3.03Å; L196-V205 HydrophobicContact CD1-CG2 3.86Å; L196-V205 HydrophobicContact CG-CG2 3.86Å; I201-V205 HydrophobicContact CD1-CG2 4.35Å; I201-V205 HydrophobicContact CG2-CB 4.43Å; I201-V205 HydrophobicContact CG2-CG1 3.64Å; I201-V205 HydrophobicContact CG2-CG2 3.91Å; K203-V205 PolarHBondContact O-N 3.09Å; V205-C207 PolarHBondContact O-N 2.91Å; V205-C207 PolarHBondContact O-SG 3.29Å; V205-C207 VanDerWaalsContact O-SG 3.34Å
206R87.3Confident62.2Low48 Ų4874.3 Ų74.318%0.18137%0.372CS..EExtended strand (participates in β ladder)trans-61121.3-175.3179.6173.6-76.2-122.11.4112.4H176 R179 D187 S190 R192 N193H176-R206 PolarHBondContact ND1-NH1 2.94Å; R179-R206 WeakPolarHBondContact CD-O 3.44Å; R179-R206 PolarHBondContact N-O 3.44Å; D187-R206 IonicContact OD1-CZ 3.54Å; D187-R206 IonicContact OD1-NH1 2.71Å; D187-R206 PolarHBondContact OD1-NH1 2.83Å; D187-R206 IonicContact OD1-NH2 3.04Å; D187-R206 PolarHBondContact OD1-NH2 3.48Å; S190-R206 WeakPolarHBondContact O-CD 3.36Å; S190-R206 VanDerWaalsContact O-CG 3.24Å; S190-R206 WeakPolarHBondContact O-CG 3.24Å; S190-R206 PolarHBondContact O-NE 2.89Å; S190-R206 PolarHBondContact O-NH1 3.43Å; S190-R206 VanDerWaalsContact O-NH1 3.15Å; S190-R206 PolarHBondContact OG-NH1 2.91Å; R192-R206 WeakPolarHBondContact O-CA 3.37Å; N193-R206 VanDerWaalsContact OD1-CA 3.24Å; N193-R206 WeakPolarHBondContact OD1-CA 3.34Å; N193-R206 PolarHBondContact OD1-N 3.49Å
207C80.4Confident61Low1 Ų180.6 Ų80.61%0.00740%0.4CS..EExtended strand (participates in β ladder)trans-136.6156.8-176.3-69.20000112.9R192 V205 L212R192-C207 PolarHBondContact O-N 3.39Å; V205-C207 PolarHBondContact O-N 2.91Å; V205-C207 PolarHBondContact O-SG 3.29Å; V205-C207 VanDerWaalsContact O-SG 3.34Å; C207-L212 HydrophobicContact CB-CD1 3.76Å
208L78.8Confident60.3Low11 Ų1184 Ų846%0.05841%0.406CS..  trans-79.5124.3174-179.864.9000110.5C178 F185 C189 R210 L211C178-L208 PolarHBondContact SG-N 3.35Å; F185-L208 HydrophobicContact CD1-CD1 4.18Å; F185-L208 HydrophobicContact CE1-CD1 4.13Å; F185-L208 HydrophobicContact CE1-CD2 3.72Å; F185-L208 HydrophobicContact CE1-CG 4.41Å; F185-L208 HydrophobicContact CE2-CB 4.41Å; F185-L208 HydrophobicContact CE2-CD2 4.49Å; F185-L208 HydrophobicContact CZ-CB 4.39Å; F185-L208 HydrophobicContact CZ-CD2 3.68Å; F185-L208 HydrophobicContact CZ-CG 4.41Å; C189-L208 HydrophobicContact CB-CD1 4.45Å; C189-L208 WeakPolarHBondContact O-CD1 3.43Å; L208-R210 VanDerWaalsContact C-N 3.29Å; L208-R210 PolarHBondContact O-N 2.94Å; L208-L211 HydrophobicContact CD2-CD1 3.92Å; L208-L211 HydrophobicContact CD2-CG 3.97Å
209L65.3Low59.8Low64 Ų6488 Ų8834%0.33542%0.424SS..Hα-helixtrans-54.7-37.7-178.5179.961.1000114.4R192R192-L209 VanDerWaalsContact NH1-CD1 3.28Å
210R57Low59.3Low176 Ų17693 Ų9366%0.66445%0.451SS*.Hα-helixtrans-83.3-34.1-166.5-143.3-178-167.2160.94.7114L208 L212 I213L208-R210 VanDerWaalsContact C-N 3.29Å; L208-R210 PolarHBondContact O-N 2.94Å; R210-L212 VanDerWaalsContact C-N 3.26Å; R210-L212 PolarHBondContact O-N 3.24Å; R210-I213 PolarHBondContact O-N 3.37Å
211L54.8Low58.7Low78 Ų7897.6 Ų97.641%0.40846%0.461SS..Hα-helixtrans-66.7-31.5177.1-75.3171.6000111.4C181 L208 S214 A215C181-L211 HydrophobicContact CB-CD1 3.85Å; L208-L211 HydrophobicContact CD2-CD1 3.92Å; L208-L211 HydrophobicContact CD2-CG 3.97Å; L211-S214 WeakPolarHBondContact O-CB 3.48Å; L211-S214 PolarHBondContact O-N 3.31Å; L211-S214 VanDerWaalsContact O-N 3.12Å; L211-A215 PolarHBondContact O-N 2.89Å
212L54.3Low58.3Low25 Ų2599.9 Ų99.913%0.13147%0.469CS..Hα-helixtrans-75.8-23.2-178.6-74.4166.5000114.4L194 L196 C207 R210 S214 A215 R216L194-L212 HydrophobicContact CB-CD1 4.36Å; L194-L212 HydrophobicContact CD1-CD1 3.32Å; L194-L212 HydrophobicContact CG-CD1 4.43Å; L196-L212 HydrophobicContact CD2-CD2 4.36Å; C207-L212 HydrophobicContact CB-CD1 3.76Å; R210-L212 VanDerWaalsContact C-N 3.26Å; R210-L212 PolarHBondContact O-N 3.24Å; L212-S214 PolarHBondContact O-N 3.23Å; L212-A215 HydrophobicContact CD2-CB 4.19Å; L212-A215 PolarHBondContact O-N 2.76Å; L212-R216 WeakPolarHBondContact O-CB 3.36Å; L212-R216 PolarHBondContact O-N 3.42Å
213I50.1Low58.4Low101 Ų10194.3 Ų94.352%0.51845%0.45SS..Hα-helixtrans-64-34.6168.4-61.2173.9000109.5R210 K217R210-I213 PolarHBondContact O-N 3.37Å; I213-K217 WeakPolarHBondContact O-CB 3.31Å; I213-K217 WeakPolarHBondContact O-CG 3.27Å; I213-K217 PolarHBondContact O-N 3.07Å
214S46.2Very low58.6Low72 Ų7294.2 Ų94.250%0.50345%0.452SS..Hα-helixtrans-73.4-40.9175.3-133.20000112.2L211 L212 K217 F218L211-S214 WeakPolarHBondContact O-CB 3.48Å; L211-S214 PolarHBondContact O-N 3.31Å; L211-S214 VanDerWaalsContact O-N 3.12Å; L212-S214 PolarHBondContact O-N 3.23Å; S214-K217 PolarHBondContact O-N 3.11Å; S214-F218 PolarHBondContact O-N 3.37Å
215A43Very low58.3Low42 Ų4290.8 Ų90.835%0.34745%0.447SS..Hα-helixtrans-68.2-39177.800000112.4L211 L212 F218 Q219L211-A215 PolarHBondContact O-N 2.89Å; L212-A215 HydrophobicContact CD2-CB 4.19Å; L212-A215 PolarHBondContact O-N 2.76Å; A215-F218 PolarHBondContact O-N 3.25Å; A215-Q219 PolarHBondContact O-N 2.79Å
216R46Very low57.9Low159 Ų15994.2 Ų94.260%0.646%0.462SS*.Hα-helixtrans-66.8-37.2172-80.5-166.7-178.9-157.1-2.1112.1L212 F218 Q219 D220L212-R216 WeakPolarHBondContact O-CB 3.36Å; L212-R216 PolarHBondContact O-N 3.42Å; R216-F218 PolarHBondContact O-N 3.29Å; R216-Q219 CarbonylContact O-C 3.56Å; R216-Q219 PolarHBondContact O-N 3.35Å; R216-D220 VanDerWaalsContact O-CB 3.28Å; R216-D220 WeakPolarHBondContact O-CB 3.4Å; R216-D220 PolarHBondContact O-N 3.26Å
217K41.1Very low57.1Low135 Ų13596.1 Ų96.159%0.58748%0.475SS*.Hα-helixtrans-56.4-37.9174.6-87.5-174.3172.4-157.20112.9I213 S214 Q219 E221I213-K217 WeakPolarHBondContact O-CB 3.31Å; I213-K217 WeakPolarHBondContact O-CG 3.27Å; I213-K217 PolarHBondContact O-N 3.07Å; S214-K217 PolarHBondContact O-N 3.11Å; K217-Q219 VanDerWaalsContact C-N 3.32Å; K217-Q219 PolarHBondContact O-N 2.93Å; K217-E221 VanDerWaalsContact O-CB 3.27Å; K217-E221 WeakPolarHBondContact O-CB 3.43Å; K217-E221 VanDerWaalsContact O-CG 3.3Å; K217-E221 WeakPolarHBondContact O-CG 3.46Å; K217-E221 PolarHBondContact O-N 3.47Å
218F42.1Very low56.8Low166 Ų166101.2 Ų101.273%0.72850%0.499SS*.Hα-helixtrans-73.8-19176.4-95.8-82.8000114.4S214 A215 R216S214-F218 PolarHBondContact O-N 3.37Å; A215-F218 PolarHBondContact O-N 3.25Å; R216-F218 PolarHBondContact O-N 3.29Å
219Q48.1Very low56.5Low163 Ų163105.9 Ų105.976%0.76252%0.521SS*.Hα-helixtrans-100.1-29.4176.5-69.5-157-44.600113.5A215 R216 K217A215-Q219 PolarHBondContact O-N 2.79Å; R216-Q219 CarbonylContact O-C 3.56Å; R216-Q219 PolarHBondContact O-N 3.35Å; K217-Q219 VanDerWaalsContact C-N 3.32Å; K217-Q219 PolarHBondContact O-N 2.93Å
220D49Very low56.8Low111 Ų111106.8 Ų106.859%0.59452%0.523SS*.Hα-helixtrans-95.51178.6-65-27.8000111.6R216 K222R216-D220 VanDerWaalsContact O-CB 3.28Å; R216-D220 WeakPolarHBondContact O-CB 3.4Å; R216-D220 PolarHBondContact O-N 3.26Å; D220-K222 PolarHBondContact O-N 3.47Å
221E45.6Very low57.8Low140 Ų140104.9 Ų104.965%0.65452%0.522SS*.  trans-65.479.6160.3-99176.5-175.100107.2K217 S223K217-E221 VanDerWaalsContact O-CB 3.27Å; K217-E221 WeakPolarHBondContact O-CB 3.43Å; K217-E221 VanDerWaalsContact O-CG 3.3Å; K217-E221 WeakPolarHBondContact O-CG 3.46Å; K217-E221 PolarHBondContact O-N 3.47Å; E221-S223 PolarHBondContact O-N 3.17Å
222K54.8Low58.6Low91 Ų91107 Ų10740%0.39653%0.529SS..  trans-51.1129.5162.7-71.1-172.5-176.8-173.40106.7D220 E226 L227 E230D220-K222 PolarHBondContact O-N 3.47Å; K222-E226 WeakPolarHBondContact CA-OE2 3.36Å; K222-E226 HydrophobicContact CB-CB 3.95Å; K222-L227 HydrophobicContact CB-CD2 4.21Å; K222-L227 HydrophobicContact CB-CG 4.1Å; K222-L227 HydrophobicContact CD-CD2 4.38Å; K222-E230 VanDerWaalsContact NZ-CD 3.33Å; K222-E230 IonicContact NZ-OE1 3.39Å; K222-E230 PolarHBondContact NZ-OE1 3.38Å; K222-E230 IonicContact NZ-OE2 3.47Å; K222-E230 PolarHBondContact NZ-OE2 3.06Å
223S60.8Low59.7Low59 Ų59110 Ų11041%0.41355%0.545SS..  trans-55.2152.8179.265.20000110E221 A225 E226 L227E221-S223 PolarHBondContact O-N 3.17Å; S223-A225 PolarHBondContact O-N 2.82Å; S223-E226 PolarHBondContact N-OE2 2.92Å; S223-E226 VanDerWaalsContact N-OE2 3.08Å; S223-E226 PolarHBondContact O-N 3.34Å; S223-E226 PolarHBondContact OG-N 2.99Å; S223-L227 PolarHBondContact O-N 3.09Å
224E68.5Low61.2Low170 Ų170111.4 Ų111.479%0.79455%0.55SS*.Hα-helixtrans-49.8-33.9174.1-173.9171.7-176.400111.4Q228E224-Q228 WeakPolarHBondContact O-CB 3.41Å; E224-Q228 PolarHBondContact O-N 2.97Å
225A70.6Confident62.6Low67 Ų67113.2 Ų113.255%0.55455%0.553SS**Hα-helixtrans-66.3-44.1173.300000114S223 L227 Q228 E229S223-A225 PolarHBondContact O-N 2.82Å; A225-L227 VanDerWaalsContact C-N 3.35Å; A225-Q228 PolarHBondContact O-N 3.35Å; A225-E229 PolarHBondContact O-N 3.02Å
226E71.7Confident64.4Low99 Ų99113.9 Ų113.946%0.46356%0.558SS.*Hα-helixtrans-66.9-35.1176.8-81.3178.113400112.4K222 S223 E229 E230K222-E226 WeakPolarHBondContact CA-OE2 3.36Å; K222-E226 HydrophobicContact CB-CB 3.95Å; S223-E226 PolarHBondContact N-OE2 2.92Å; S223-E226 VanDerWaalsContact N-OE2 3.08Å; S223-E226 PolarHBondContact O-N 3.34Å; S223-E226 PolarHBondContact OG-N 2.99Å; E226-E229 PolarHBondContact O-N 3.19Å; E226-E230 WeakPolarHBondContact O-CB 3.22Å; E226-E230 PolarHBondContact O-N 3.43Å
227L71.2Confident65.8Low89 Ų89111.1 Ų111.147%0.46656%0.555SS.*Hα-helixtrans-66.2-42.7173.7-71.5172.4000110.9K222 S223 A225 E229 E230 E231K222-L227 HydrophobicContact CB-CD2 4.21Å; K222-L227 HydrophobicContact CB-CG 4.1Å; K222-L227 HydrophobicContact CD-CD2 4.38Å; S223-L227 PolarHBondContact O-N 3.09Å; A225-L227 VanDerWaalsContact C-N 3.35Å; L227-E229 VanDerWaalsContact C-N 3.34Å; L227-E230 PolarHBondContact O-N 2.93Å; L227-E231 WeakPolarHBondContact O-CG 3.46Å; L227-E231 PolarHBondContact O-N 3.41Å
228Q74.2Confident67.6Low107 Ų107107.2 Ų107.250%0.555%0.548SS..Hα-helixtrans-63.1-40.7176.2-168177.6-26.200111.6E224 A225 E231 E232E224-Q228 WeakPolarHBondContact O-CB 3.41Å; E224-Q228 PolarHBondContact O-N 2.97Å; A225-Q228 PolarHBondContact O-N 3.35Å; Q228-E231 PolarHBondContact O-N 3.04Å; Q228-E232 WeakPolarHBondContact O-CG 3.45Å; Q228-E232 PolarHBondContact O-N 3.23Å
229E72.3Confident68.9Low110 Ų110104.3 Ų104.351%0.51454%0.539SS..Hα-helixtrans-64.1-39.9175.1-168.8-174.9168.700112A225 E226 L227 E232 L233A225-E229 PolarHBondContact O-N 3.02Å; E226-E229 PolarHBondContact O-N 3.19Å; L227-E229 VanDerWaalsContact C-N 3.34Å; E229-E232 PolarHBondContact O-N 2.95Å; E229-L233 HydrophobicContact CG-CD1 4.45Å; E229-L233 WeakPolarHBondContact O-CB 3.47Å; E229-L233 PolarHBondContact O-N 3.09Å
230E71.7Confident70Confident82 Ų82100 Ų10038%0.38353%0.527SS..Hα-helixtrans-67.1-36.9176.7-169166.4-155.500112.1K222 E226 L227 Q234K222-E230 VanDerWaalsContact NZ-CD 3.33Å; K222-E230 IonicContact NZ-OE1 3.39Å; K222-E230 PolarHBondContact NZ-OE1 3.38Å; K222-E230 IonicContact NZ-OE2 3.47Å; K222-E230 PolarHBondContact NZ-OE2 3.06Å; E226-E230 WeakPolarHBondContact O-CB 3.22Å; E226-E230 PolarHBondContact O-N 3.43Å; L227-E230 PolarHBondContact O-N 2.93Å; E230-Q234 WeakPolarHBondContact O-CG 3.48Å; E230-Q234 PolarHBondContact O-N 3.39Å
231E77Confident71.1Confident137 Ų137100.6 Ų100.664%0.6453%0.526SS*.Hα-helixtrans-66.6-43.6172.5-75-174.5168.200112L227 Q228 L233 Q234 L235L227-E231 WeakPolarHBondContact O-CG 3.46Å; L227-E231 PolarHBondContact O-N 3.41Å; Q228-E231 PolarHBondContact O-N 3.04Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-L233 PolarHBondContact O-N 3.48Å; E231-Q234 PolarHBondContact O-N 3.1Å; E231-L235 WeakPolarHBondContact O-CB 3.38Å; E231-L235 PolarHBondContact O-N 3.1Å
232E73.3Confident72Confident121 Ų12196.5 Ų96.557%0.56551%0.513SS*.Hα-helixtrans-62.1-41.4175.2-76-178-173.300111.6Q228 E229 L235 A236Q228-E232 WeakPolarHBondContact O-CG 3.45Å; Q228-E232 PolarHBondContact O-N 3.23Å; E229-E232 PolarHBondContact O-N 2.95Å; E232-L235 PolarHBondContact O-N 3.14Å; E232-A236 WeakPolarHBondContact O-CB 3.4Å; E232-A236 PolarHBondContact O-N 3.21Å
233L76.9Confident72.9Confident90 Ų9098.4 Ų98.447%0.47152%0.523SS..Hα-helixtrans-62.9-42.9174.1-96.3158.9000112.6E229 E231 A236 L237E229-L233 HydrophobicContact CG-CD1 4.45Å; E229-L233 WeakPolarHBondContact O-CB 3.47Å; E229-L233 PolarHBondContact O-N 3.09Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-L233 PolarHBondContact O-N 3.48Å; L233-A236 PolarHBondContact O-N 2.91Å; L233-L237 PolarHBondContact O-N 3.02Å
234Q80.8Confident73.2Confident130 Ų13098.3 Ų98.361%0.60753%0.526SS*.Hα-helixtrans-64.8-40.4176.3-82.5-173.70.600112E230 E231 L237 A238E230-Q234 WeakPolarHBondContact O-CG 3.48Å; E230-Q234 PolarHBondContact O-N 3.39Å; E231-Q234 PolarHBondContact O-N 3.1Å; Q234-L237 PolarHBondContact O-N 3.12Å; Q234-A238 WeakPolarHBondContact O-CB 3.4Å; Q234-A238 PolarHBondContact O-N 3.18Å
235L76.7Confident73.4Confident110 Ų11095.1 Ų95.158%0.57651%0.512SS*.Hα-helixtrans-63.6-44.2175.9-178.161.9000111.5E231 E232 L237 A238 L239E231-L235 WeakPolarHBondContact O-CB 3.38Å; E231-L235 PolarHBondContact O-N 3.1Å; E232-L235 PolarHBondContact O-N 3.14Å; L235-L237 PolarHBondContact O-N 3.28Å; L235-A238 PolarHBondContact O-N 3.49Å; L235-L239 HydrophobicContact CG-CD1 4.28Å; L235-L239 WeakPolarHBondContact O-CG 3.48Å; L235-L239 PolarHBondContact O-N 3.43Å
236A81Confident73.5Confident55 Ų5597.3 Ų97.346%0.45551%0.51SS..Hα-helixtrans-62.4-40.5177.700000112.5E232 L233 L239 S240E232-A236 WeakPolarHBondContact O-CB 3.4Å; E232-A236 PolarHBondContact O-N 3.21Å; L233-A236 PolarHBondContact O-N 2.91Å; A236-L239 PolarHBondContact O-N 3.06Å; A236-S240 WeakPolarHBondContact O-CB 3.27Å; A236-S240 PolarHBondContact O-N 3.44Å
237L75.1Confident73.4Confident102 Ų102100.4 Ų100.453%0.53452%0.522SS..Hα-helixtrans-63.5-42.8174-84.9162.3000112.1L233 Q234 L235 S240 Q241L233-L237 PolarHBondContact O-N 3.02Å; Q234-L237 PolarHBondContact O-N 3.12Å; L235-L237 PolarHBondContact O-N 3.28Å; L237-S240 PolarHBondContact O-N 3.37Å; L237-Q241 WeakPolarHBondContact O-CB 3.3Å; L237-Q241 VanDerWaalsContact O-CG 3.32Å; L237-Q241 WeakPolarHBondContact O-CG 3.22Å; L237-Q241 PolarHBondContact O-N 2.92Å
238A77.3Confident73.1Confident53 Ų53103.5 Ų103.544%0.43853%0.534SS..Hα-helixtrans-64.3-43.2177.900000111.8Q234 L235 Q241 S242Q234-A238 WeakPolarHBondContact O-CB 3.4Å; Q234-A238 PolarHBondContact O-N 3.18Å; L235-A238 PolarHBondContact O-N 3.49Å; A238-Q241 PolarHBondContact O-N 3.5Å; A238-S242 WeakPolarHBondContact O-CB 3.37Å; A238-S242 PolarHBondContact O-N 3.05Å; A238-S242 PolarHBondContact O-OG 2.86Å
239L70.7Confident72.9Confident104 Ų104106.7 Ų106.755%0.54554%0.542SS..Hα-helixtrans-61.1-47.2174.9-72.5172.1000111.3L235 A236 Q241 S242 E243L235-L239 HydrophobicContact CG-CD1 4.28Å; L235-L239 WeakPolarHBondContact O-CG 3.48Å; L235-L239 PolarHBondContact O-N 3.43Å; A236-L239 PolarHBondContact O-N 3.06Å; L239-Q241 VanDerWaalsContact C-N 3.35Å; L239-Q241 PolarHBondContact O-N 3.33Å; L239-S242 WeakPolarHBondContact CA-OG 3.43Å; L239-S242 PolarHBondContact O-N 2.94Å; L239-S242 PolarHBondContact O-OG 3.33Å; L239-E243 PolarHBondContact O-N 3.24Å
240S69.8Low72.5Confident72 Ų72107.6 Ų107.650%0.50355%0.549SS..Hα-helixtrans-62.4-39.3178.2-174.30000112.7A236 L237 A244A236-S240 WeakPolarHBondContact O-CB 3.27Å; A236-S240 PolarHBondContact O-N 3.44Å; L237-S240 PolarHBondContact O-N 3.37Å; S240-A244 WeakPolarHBondContact O-CB 3.48Å; S240-A244 PolarHBondContact O-N 2.93Å
241Q72.2Confident71.7Confident125 Ų125113.8 Ų113.858%0.58457%0.569SS**Hα-helixtrans-65.1-43.3174.1-75178.17.600111.6L237 A238 L239 A244 E245L237-Q241 WeakPolarHBondContact O-CB 3.3Å; L237-Q241 VanDerWaalsContact O-CG 3.32Å; L237-Q241 WeakPolarHBondContact O-CG 3.22Å; L237-Q241 PolarHBondContact O-N 2.92Å; A238-Q241 PolarHBondContact O-N 3.5Å; L239-Q241 VanDerWaalsContact C-N 3.35Å; L239-Q241 PolarHBondContact O-N 3.33Å; Q241-A244 PolarHBondContact O-N 2.92Å; Q241-E245 WeakPolarHBondContact O-CG 3.41Å; Q241-E245 PolarHBondContact O-N 3.4Å
242S66.3Low70.3Confident53 Ų53114.5 Ų114.537%0.37157%0.573SS.*Hα-helixtrans-64.9-41178.169.40000112.8A238 L239 E245 E246A238-S242 WeakPolarHBondContact O-CB 3.37Å; A238-S242 PolarHBondContact O-N 3.05Å; A238-S242 PolarHBondContact O-OG 2.86Å; L239-S242 WeakPolarHBondContact CA-OG 3.43Å; L239-S242 PolarHBondContact O-N 2.94Å; L239-S242 PolarHBondContact O-OG 3.33Å; S242-E245 PolarHBondContact O-N 2.89Å; S242-E246 WeakPolarHBondContact O-CB 3.5Å; S242-E246 PolarHBondContact O-N 3.42Å
243E73.6Confident68.8Low131 Ų131115 Ų11561%0.61259%0.586SS**Hα-helixtrans-64.3-40.5173.8-87.5-167.8149.700112.1L239 E246 K247L239-E243 PolarHBondContact O-N 3.24Å; E243-E246 PolarHBondContact O-N 3.23Å; E243-K247 WeakPolarHBondContact O-CB 3.35Å; E243-K247 PolarHBondContact O-N 3.48Å
244A66.6Low66.9Low58 Ų58117.8 Ų117.848%0.47960%0.597SS.*Hα-helixtrans-64.7-43.7177.700000111.4S240 Q241 K247 E248S240-A244 WeakPolarHBondContact O-CB 3.48Å; S240-A244 PolarHBondContact O-N 2.93Å; Q241-A244 PolarHBondContact O-N 2.92Å; A244-K247 PolarHBondContact O-N 3.24Å; A244-E248 WeakPolarHBondContact O-CB 3.4Å; A244-E248 PolarHBondContact O-N 3.38Å
245E72.6Confident64.9Low103 Ų103118.7 Ų118.748%0.48161%0.605SS.*Hα-helixtrans-66.3-38.3175.5-72.9-176179.200112.6Q241 S242 E248 R249Q241-E245 WeakPolarHBondContact O-CG 3.41Å; Q241-E245 PolarHBondContact O-N 3.4Å; S242-E245 PolarHBondContact O-N 2.89Å; E245-E248 PolarHBondContact O-N 2.89Å; E245-R249 WeakPolarHBondContact O-CB 3.28Å; E245-R249 PolarHBondContact O-N 2.96Å; E245-R249 IonicContact OE2-NH2 3.57Å; E245-R249 PolarHBondContact OE2-NH2 3.02Å
246E71.7Confident62.8Low112 Ų112120.6 Ų120.652%0.52362%0.621SS.*Hα-helixtrans-68.8-41.5176.7-173160.6-165.300111.6S242 E243 E248 R249 L250S242-E246 WeakPolarHBondContact O-CB 3.5Å; S242-E246 PolarHBondContact O-N 3.42Å; E243-E246 PolarHBondContact O-N 3.23Å; E246-E248 VanDerWaalsContact C-N 3.29Å; E246-E248 PolarHBondContact O-N 3.45Å; E246-R249 PolarHBondContact O-N 2.82Å; E246-L250 HydrophobicContact CG-CD1 3.95Å; E246-L250 HydrophobicContact CG-CG 4.4Å; E246-L250 WeakPolarHBondContact O-CB 3.49Å; E246-L250 WeakPolarHBondContact O-CG 3.38Å; E246-L250 PolarHBondContact O-N 3.48Å
247K69.4Low60.6Low164 Ų164124.4 Ų124.471%0.71364%0.638SS**Hα-helixtrans-60.4-38.2170.7-93-179.4174.2168.60112.5E243 A244 R251E243-K247 WeakPolarHBondContact O-CB 3.35Å; E243-K247 PolarHBondContact O-N 3.48Å; A244-K247 PolarHBondContact O-N 3.24Å; K247-R251 VanDerWaalsContact O-CB 3.31Å; K247-R251 WeakPolarHBondContact O-CB 3.46Å; K247-R251 PolarHBondContact O-N 3.13Å; K247-R251 VanDerWaalsContact O-N 3.12Å
248E66Low58.7Low154 Ų154123.9 Ų123.972%0.7264%0.643SS**Hα-helixtrans-70.9-37.7177-167.5168.3-16700111.8A244 E245 E246 R251A244-E248 WeakPolarHBondContact O-CB 3.4Å; A244-E248 PolarHBondContact O-N 3.38Å; E245-E248 PolarHBondContact O-N 2.89Å; E246-E248 VanDerWaalsContact C-N 3.29Å; E246-E248 PolarHBondContact O-N 3.45Å; E248-R251 PolarHBondContact O-N 3.43Å
249R69.3Low57Low175 Ų175127.9 Ų127.966%0.6666%0.657SS**Hα-helixtrans-65.2-41.9173.3-86.2-171.2-81.8-103.5-6.3113.2E245 E246 R251E245-R249 WeakPolarHBondContact O-CB 3.28Å; E245-R249 PolarHBondContact O-N 2.96Å; E245-R249 IonicContact OE2-NH2 3.57Å; E245-R249 PolarHBondContact OE2-NH2 3.02Å; E246-R249 PolarHBondContact O-N 2.82Å; R249-R251 VanDerWaalsContact C-N 3.27Å; R249-R251 PolarHBondContact O-N 3.49Å
250L65.3Low55.8Low128 Ų128131.6 Ų131.667%0.6767%0.671SS**Hα-helixtrans-78.7-11.1-179.4-69.7173.4000113.3E246 E252E246-L250 HydrophobicContact CG-CD1 3.95Å; E246-L250 HydrophobicContact CG-CG 4.4Å; E246-L250 WeakPolarHBondContact O-CB 3.49Å; E246-L250 WeakPolarHBondContact O-CG 3.38Å; E246-L250 PolarHBondContact O-N 3.48Å; L250-E252 PolarHBondContact O-N 3.24Å
251R54.1Low54.9Low212 Ų212134.3 Ų134.380%0.869%0.685SS**  trans-76.470.4174.6-164.1173.9171.3-154.3-4109.3K247 E248 R249K247-R251 VanDerWaalsContact O-CB 3.31Å; K247-R251 WeakPolarHBondContact O-CB 3.46Å; K247-R251 PolarHBondContact O-N 3.13Å; K247-R251 VanDerWaalsContact O-N 3.12Å; E248-R251 PolarHBondContact O-N 3.43Å; R249-R251 VanDerWaalsContact C-N 3.27Å; R249-R251 PolarHBondContact O-N 3.49Å
252E47Very low53.8Low153 Ų153135.9 Ų135.972%0.71569%0.692SS**  trans-60.1134.6166.5-81.4-174.4150.100109.3L250 E254L250-E252 PolarHBondContact O-N 3.24Å; E252-E254 VanDerWaalsContact C-N 3.26Å; E252-E254 PolarHBondContact O-N 3.05Å
253P42.9Very low53.7Low130 Ų130138 Ų13884%0.84471%0.707SS**  trans-80.874.5-177.832.7-32.5000109.2
254E36Very low53.2Low149 Ų149139.9 Ų139.970%0.69672%0.716SS**  trans-131.2117.5-179.5-119.2-175.2153.500115.2E252E252-E254 VanDerWaalsContact C-N 3.26Å; E252-E254 PolarHBondContact O-N 3.05Å
255L38.6Very low52.5Low149 Ų149142.6 Ų142.678%0.7872%0.722SS**  trans38.1107.4137.1-60.5172.6000118.1V257L255-V257 PolarHBondContact O-N 3.33Å
256V34.2Very low52.3Low150 Ų150140.2 Ų140.291%0.90972%0.72SS**  trans-39.4101.2164.5-175.60000112.8
257V33.2Very low52.2Low135 Ų135140.1 Ų140.182%0.81872%0.719SS**  trans-140.1135149.5-178.40000108.7L255L255-V257 PolarHBondContact O-N 3.33Å
258S36.9Very low52.1Low91 Ų91140.4 Ų140.464%0.63672%0.717SS**  trans-71.7144.7-163.849.50000116.4
259N40Very low52.1Low137 Ų137139.1 Ų139.173%0.73371%0.714SS**  trans89.446.2140.7-58.8-7.2000121.7
260E46.2Very low52.4Low182 Ų182134.3 Ų134.385%0.8570%0.702SS**  trans-115.3-2.7160.1-67.6-166.3161.500114.9E262E260-E262 PolarHBondContact O-N 3.34Å
261T50.5Low53.1Low129 Ų129137.1 Ų137.179%0.79170%0.703SS**THydrogen-bonded Turntrans-71.81.1178.850.40000114.7
262E49Very low54.5Low158 Ų158134.4 Ų134.474%0.73870%0.7SS**Hα-helixtrans-86.9-8.6-179.3-149160.4-157.100113.2E260 A266E260-E262 PolarHBondContact O-N 3.34Å; E262-A266 WeakPolarHBondContact O-CB 3.4Å; E262-A266 PolarHBondContact O-N 3.08Å
263S64.4Low56.2Low97 Ų97132.1 Ų132.168%0.67869%0.685SS**Hα-helixtrans-80.1-48.9-177.9-167.80000113.6H267S263-H267 PolarHBondContact O-N 2.89Å
264E63.2Low58.1Low172 Ų172130.6 Ų130.680%0.80466%0.663SS**Hα-helixtrans-75.2-42-176.7-113.4-176.7176.300112.5A266 H267 Y268E264-A266 VanDerWaalsContact C-N 3.32Å; E264-A266 PolarHBondContact O-N 2.98Å; E264-H267 WeakPolarHBondContact O-CB 3.37Å; E264-H267 PolarHBondContact O-N 3.3Å; E264-Y268 PolarHBondContact O-N 3.02Å
265L52Low59.9Low115 Ų115128 Ų12860%0.60265%0.651SS**Hα-helixtrans-66.6-37.5178.8-144.183.9000110.8H267 Y268 L269L265-H267 VanDerWaalsContact C-N 3.3Å; L265-H267 PolarHBondContact O-N 3.04Å; L265-Y268 PolarHBondContact O-N 3.44Å; L265-L269 HydrophobicContact CD2-CD1 3.83Å; L265-L269 HydrophobicContact CG-CD1 3.91Å; L265-L269 VanDerWaalsContact O-CB 3.25Å; L265-L269 WeakPolarHBondContact O-CB 3.39Å; L265-L269 WeakPolarHBondContact O-CD1 3.19Å; L265-L269 VanDerWaalsContact O-CG 3.31Å; L265-L269 WeakPolarHBondContact O-CG 3.24Å; L265-L269 PolarHBondContact O-N 3.31Å
266A68.4Low62Low52 Ų52127.1 Ų127.143%0.4364%0.641SS.*Hα-helixtrans-65.1-34.2174.400000112.1E262 E264 N270E262-A266 WeakPolarHBondContact O-CB 3.4Å; E262-A266 PolarHBondContact O-N 3.08Å; E264-A266 VanDerWaalsContact C-N 3.32Å; E264-A266 PolarHBondContact O-N 2.98Å; A266-N270 WeakPolarHBondContact O-CB 3.37Å; A266-N270 PolarHBondContact O-N 3.17Å; A266-N270 VanDerWaalsContact O-N 3.09Å
267H70.2Confident64.1Low110 Ų110122.1 Ų122.151%0.50961%0.61SS.*Hα-helixtrans-64.4-46.1173.7-171.265.8000111.5S263 E264 L265 N270S263-H267 PolarHBondContact O-N 2.89Å; E264-H267 WeakPolarHBondContact O-CB 3.37Å; E264-H267 PolarHBondContact O-N 3.3Å; L265-H267 VanDerWaalsContact C-N 3.3Å; L265-H267 PolarHBondContact O-N 3.04Å; H267-N270 WeakPolarHBondContact O-CB 3.43Å; H267-N270 PolarHBondContact O-N 3.05Å
268Y67.9Low66.1Low170 Ų170123.7 Ų123.767%0.66760%0.601SS**Hα-helixtrans-70-34.2179.5-133-84.9000113.2E264 L265 N270 W274E264-Y268 PolarHBondContact O-N 3.02Å; L265-Y268 PolarHBondContact O-N 3.44Å; Y268-N270 VanDerWaalsContact C-N 3.32Å; Y268-W274 HydrophobicContact CD1-CZ2 4.4Å; Y268-W274 HydrophobicContact CE1-CZ2 4.13Å; Y268-W274 PolarHBondContact O-NE1 2.92Å
269L64.5Low68Low128 Ų128122.3 Ų122.367%0.6759%0.592SS**Hα-helixtrans-82.7-4.6178-72.4164000113.6L265 R271L265-L269 HydrophobicContact CD2-CD1 3.83Å; L265-L269 HydrophobicContact CG-CD1 3.91Å; L265-L269 VanDerWaalsContact O-CB 3.25Å; L265-L269 WeakPolarHBondContact O-CB 3.39Å; L265-L269 WeakPolarHBondContact O-CD1 3.19Å; L265-L269 VanDerWaalsContact O-CG 3.31Å; L265-L269 WeakPolarHBondContact O-CG 3.24Å; L265-L269 PolarHBondContact O-N 3.31Å; L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.02Å
270N77.1Confident69.6Low73 Ų73120.1 Ų120.139%0.3958%0.577SS.*  trans-69.290.5179.2-166.1-46.4000110.7A266 H267 Y268 Q272 Y273 W274A266-N270 WeakPolarHBondContact O-CB 3.37Å; A266-N270 PolarHBondContact O-N 3.17Å; A266-N270 VanDerWaalsContact O-N 3.09Å; H267-N270 WeakPolarHBondContact O-CB 3.43Å; H267-N270 PolarHBondContact O-N 3.05Å; Y268-N270 VanDerWaalsContact C-N 3.32Å; N270-Q272 PolarHBondContact O-N 2.96Å; N270-Q272 PolarHBondContact OD1-N 3.35Å; N270-Y273 WeakPolarHBondContact O-CB 3.33Å; N270-Y273 PolarHBondContact O-N 3.44Å; N270-Y273 VanDerWaalsContact O-N 3.11Å; N270-Y273 PolarHBondContact OD1-N 3.27Å; N270-W274 PolarHBondContact O-N 3.2Å
271R79.8Confident70.6Confident187 Ų187117 Ų11771%0.70656%0.563SS**Hα-helixtrans-56.4-34.9-179.7-179.9176.3167.7168.9-1.2113.2L269 W274 E275L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.02Å; R271-W274 PolarHBondContact O-N 3.05Å; R271-E275 HydrophobicContact CG-CG 4.49Å; R271-E275 IonicContact CZ-OE1 2.83Å; R271-E275 IonicContact NE-OE1 2.69Å; R271-E275 PolarHBondContact NE-OE1 3.45Å; R271-E275 IonicContact NH2-OE1 3.02Å; R271-E275 PolarHBondContact NH2-OE1 2.94Å; R271-E275 WeakPolarHBondContact O-CG 3.43Å; R271-E275 PolarHBondContact O-N 3.43Å
272Q82.7Confident71.3Confident156 Ų156118.7 Ų118.773%0.72956%0.559SS**Hα-helixtrans-67.3-36.8179-67.2-171-10.500112N270 E275 K276N270-Q272 PolarHBondContact O-N 2.96Å; N270-Q272 PolarHBondContact OD1-N 3.35Å; Q272-E275 PolarHBondContact O-N 3.49Å; Q272-K276 WeakPolarHBondContact O-CB 3.33Å; Q272-K276 PolarHBondContact O-N 3.41Å
273Y82.5Confident71.9Confident105 Ų105117.3 Ų117.341%0.41255%0.553SS.*Hα-helixtrans-59-51.8173.7171.9-98.4000110.9N270 E275 K276 V277N270-Y273 WeakPolarHBondContact O-CB 3.33Å; N270-Y273 PolarHBondContact O-N 3.44Å; N270-Y273 VanDerWaalsContact O-N 3.11Å; N270-Y273 PolarHBondContact OD1-N 3.27Å; Y273-E275 PolarHBondContact O-N 2.99Å; Y273-K276 PolarHBondContact O-N 3.39Å; Y273-V277 HydrophobicContact CD1-CG2 4.37Å; Y273-V277 HydrophobicContact CD2-CG2 4.5Å; Y273-V277 HydrophobicContact CE1-CG2 3.97Å; Y273-V277 HydrophobicContact CE2-CG2 4.11Å; Y273-V277 WeakPolarHBondContact O-CG2 3.39Å; Y273-V277 PolarHBondContact O-N 2.95Å
274W83Confident71.6Confident98 Ų98119.3 Ų119.337%0.37155%0.551SS.*Hα-helixtrans-67.5-32.2-179.3-68.3110.4000114Y268 N270 R271 R278Y268-W274 HydrophobicContact CD1-CZ2 4.4Å; Y268-W274 HydrophobicContact CE1-CZ2 4.13Å; Y268-W274 PolarHBondContact O-NE1 2.92Å; N270-W274 PolarHBondContact O-N 3.2Å; R271-W274 PolarHBondContact O-N 3.05Å; W274-R278 WeakPolarHBondContact O-CB 3.41Å; W274-R278 PolarHBondContact O-N 3.28Å; W274-R278 VanDerWaalsContact O-N 3.12Å
275E74.6Confident71Confident95 Ų95116.9 Ų116.944%0.44454%0.543SS..Hα-helixtrans-66.2-40.2172.6-79.5175.6-176.900111.4R271 Q272 Y273 R278 S279R271-E275 HydrophobicContact CG-CG 4.49Å; R271-E275 IonicContact CZ-OE1 2.83Å; R271-E275 IonicContact NE-OE1 2.69Å; R271-E275 PolarHBondContact NE-OE1 3.45Å; R271-E275 IonicContact NH2-OE1 3.02Å; R271-E275 PolarHBondContact NH2-OE1 2.94Å; R271-E275 WeakPolarHBondContact O-CG 3.43Å; R271-E275 PolarHBondContact O-N 3.43Å; Q272-E275 PolarHBondContact O-N 3.49Å; Y273-E275 PolarHBondContact O-N 2.99Å; E275-R278 PolarHBondContact O-N 3.34Å; E275-S279 PolarHBondContact O-N 3.04Å
276K81.1Confident71.2Confident130 Ų130115.7 Ų115.757%0.56555%0.545SS*.Hα-helixtrans-65.1-47.9175.8-167-178.8179.1-170.60111.9Q272 Y273 R278 S279 E280Q272-K276 WeakPolarHBondContact O-CB 3.33Å; Q272-K276 PolarHBondContact O-N 3.41Å; Y273-K276 PolarHBondContact O-N 3.39Å; K276-R278 VanDerWaalsContact C-N 3.26Å; K276-R278 PolarHBondContact O-N 3.17Å; K276-S279 WeakPolarHBondContact CA-OG 3.46Å; K276-S279 PolarHBondContact O-N 3.33Å; K276-S279 PolarHBondContact O-OG 3.1Å; K276-E280 VanDerWaalsContact CE-OE1 3.32Å; K276-E280 WeakPolarHBondContact CE-OE1 3.23Å; K276-E280 PolarHBondContact O-N 2.99Å
277V78.8Confident70.3Confident45 Ų45119.9 Ų119.927%0.27356%0.559SS.*Hα-helixtrans-55-44176171.80000110.8Y273 S279 E280 Q281Y273-V277 HydrophobicContact CD1-CG2 4.37Å; Y273-V277 HydrophobicContact CD2-CG2 4.5Å; Y273-V277 HydrophobicContact CE1-CG2 3.97Å; Y273-V277 HydrophobicContact CE2-CG2 4.11Å; Y273-V277 WeakPolarHBondContact O-CG2 3.39Å; Y273-V277 PolarHBondContact O-N 2.95Å; V277-S279 PolarHBondContact O-N 3.1Å; V277-E280 PolarHBondContact O-N 2.83Å; V277-Q281 WeakPolarHBondContact O-CB 3.27Å; V277-Q281 PolarHBondContact O-N 3.35Å
278R75.5Confident68.9Low167 Ų167124.7 Ų124.763%0.6357%0.573SS**Hα-helixtrans-67.1-35.2178.9-146.4179-56.7-162.70.7112.7W274 E275 K276 K282W274-R278 WeakPolarHBondContact O-CB 3.41Å; W274-R278 PolarHBondContact O-N 3.28Å; W274-R278 VanDerWaalsContact O-N 3.12Å; E275-R278 PolarHBondContact O-N 3.34Å; K276-R278 VanDerWaalsContact C-N 3.26Å; K276-R278 PolarHBondContact O-N 3.17Å; R278-K282 PolarHBondContact O-N 2.71Å
279S76.6Confident67.7Low62 Ų62125.4 Ų125.443%0.43458%0.582SS.*Hα-helixtrans-69.8-40.3176.271.80000112.6E275 K276 V277 Q281 K282 Q283E275-S279 PolarHBondContact O-N 3.04Å; K276-S279 WeakPolarHBondContact CA-OG 3.46Å; K276-S279 PolarHBondContact O-N 3.33Å; K276-S279 PolarHBondContact O-OG 3.1Å; V277-S279 PolarHBondContact O-N 3.1Å; S279-Q281 VanDerWaalsContact C-N 3.34Å; S279-K282 PolarHBondContact O-N 3.32Å; S279-Q283 PolarHBondContact O-N 3.08Å
280E74.9Confident66.5Low91 Ų91124 Ų12443%0.42558%0.583SS.*Hα-helixtrans-65.3-39174.8-72.7174179.700110.9K276 V277 Q283 Q284K276-E280 VanDerWaalsContact CE-OE1 3.32Å; K276-E280 WeakPolarHBondContact CE-OE1 3.23Å; K276-E280 PolarHBondContact O-N 2.99Å; V277-E280 PolarHBondContact O-N 2.83Å; E280-Q283 PolarHBondContact O-N 3.37Å; E280-Q284 PolarHBondContact O-N 2.83Å
281Q66.6Low64.9Low118 Ų118126.2 Ų126.255%0.55160%0.601SS**Hα-helixtrans-64-42175.3-138.317730.400112V277 S279 Q283 Q284 L285V277-Q281 WeakPolarHBondContact O-CB 3.27Å; V277-Q281 PolarHBondContact O-N 3.35Å; S279-Q281 VanDerWaalsContact C-N 3.34Å; Q281-Q283 VanDerWaalsContact C-N 3.34Å; Q281-Q283 PolarHBondContact O-N 2.96Å; Q281-Q284 PolarHBondContact O-N 3.29Å; Q281-L285 WeakPolarHBondContact O-CB 3.44Å; Q281-L285 WeakPolarHBondContact O-CG 3.4Å; Q281-L285 PolarHBondContact O-N 2.94Å
282K65.3Low62.9Low164 Ų164122.9 Ų122.971%0.71360%0.602SS**Hα-helixtrans-62.6-39.5172.6-99.8-175.2174-176.70112.3R278 S279 L285 S286R278-K282 PolarHBondContact O-N 2.71Å; S279-K282 PolarHBondContact O-N 3.32Å; K282-L285 PolarHBondContact O-N 2.72Å; K282-S286 PolarHBondContact O-N 2.87Å
283Q61.9Low60.9Low129 Ų129121.4 Ų121.460%0.60361%0.606SS**Hα-helixtrans-65.1-43.2174.6-103.2-179.8-9.400112S279 E280 Q281 L285 S286 L287S279-Q283 PolarHBondContact O-N 3.08Å; E280-Q283 PolarHBondContact O-N 3.37Å; Q281-Q283 VanDerWaalsContact C-N 3.34Å; Q281-Q283 PolarHBondContact O-N 2.96Å; Q283-L285 VanDerWaalsContact C-N 3.34Å; Q283-L285 PolarHBondContact O-N 3.44Å; Q283-S286 PolarHBondContact O-N 3.28Å; Q283-S286 PolarHBondContact O-OG 3.45Å; Q283-L287 PolarHBondContact O-N 3.19Å; Q283-L287 VanDerWaalsContact O-N 3.14Å
284Q57Low58.7Low138 Ų138122 Ų12265%0.64563%0.626SS**Hα-helixtrans-63.4-39.1176-81.2-176.32.700112.5E280 Q281 S286 L287 R288E280-Q284 PolarHBondContact O-N 2.83Å; Q281-Q284 PolarHBondContact O-N 3.29Å; Q284-S286 VanDerWaalsContact C-N 3.32Å; Q284-S286 PolarHBondContact O-N 3.45Å; Q284-L287 PolarHBondContact O-N 3.31Å; Q284-R288 PolarHBondContact O-N 2.91Å
285L51.7Low56.4Low121 Ų121121.2 Ų121.263%0.63464%0.639SS**Hα-helixtrans-64.8-35.6174.5-74.3164.3000111.8Q281 K282 Q283 L287 R288Q281-L285 WeakPolarHBondContact O-CB 3.44Å; Q281-L285 WeakPolarHBondContact O-CG 3.4Å; Q281-L285 PolarHBondContact O-N 2.94Å; K282-L285 PolarHBondContact O-N 2.72Å; Q283-L285 VanDerWaalsContact C-N 3.34Å; Q283-L285 PolarHBondContact O-N 3.44Å; L285-L287 VanDerWaalsContact C-N 3.31Å; L285-L287 PolarHBondContact O-N 2.78Å; L285-R288 PolarHBondContact O-N 2.69Å
286S55Low54.8Low91 Ų91122.9 Ų122.964%0.63666%0.658SS**Hα-helixtrans-71.5-21.9175.471.90000114.3K282 Q283 Q284K282-S286 PolarHBondContact O-N 2.87Å; Q283-S286 PolarHBondContact O-N 3.28Å; Q283-S286 PolarHBondContact O-OG 3.45Å; Q284-S286 VanDerWaalsContact C-N 3.32Å; Q284-S286 PolarHBondContact O-N 3.45Å
287L50.7Low53.1Low140 Ų140122.1 Ų122.173%0.73367%0.665SS**Hα-helixtrans-90-15.9178.6-76.5161.1000113.1Q283 Q284 L285 Q289Q283-L287 PolarHBondContact O-N 3.19Å; Q283-L287 VanDerWaalsContact O-N 3.14Å; Q284-L287 PolarHBondContact O-N 3.31Å; L285-L287 VanDerWaalsContact C-N 3.31Å; L285-L287 PolarHBondContact O-N 2.78Å; L287-Q289 VanDerWaalsContact C-N 3.35Å; L287-Q289 PolarHBondContact O-N 2.78Å
288R39.3Very low51.4Low211 Ų211124.9 Ų124.980%0.79669%0.692SS**  trans-78.188.7170.3-91.3-174.1156.3-142.1-2.6109.3Q284 L285 S290Q284-R288 PolarHBondContact O-N 2.91Å; L285-R288 PolarHBondContact O-N 2.69Å; R288-S290 VanDerWaalsContact C-N 3.27Å; R288-S290 PolarHBondContact O-N 2.9Å
289Q43.3Very low50.1Low185 Ų185121 Ų12186%0.86469%0.687SS**  trans-60.598.2154.5-66.7178.97.200106.5L287 P291L287-Q289 VanDerWaalsContact C-N 3.35Å; L287-Q289 PolarHBondContact O-N 2.78Å; Q289-P291 WeakPolarHBondContact O-CD 3.08Å
290S39.5Very low48.7Very low99 Ų99125.9 Ų125.969%0.69270%0.703SS**  trans-61.4115.2176.748.10000108.7R288 T292R288-S290 VanDerWaalsContact C-N 3.27Å; R288-S290 PolarHBondContact O-N 2.9Å; S290-T292 PolarHBondContact O-N 2.89Å
291P42.8Very low47.6Very low119 Ų119125.4 Ų125.477%0.77371%0.714SS**  trans-70.6114.3164.826.2-20.4000105.9Q289Q289-P291 WeakPolarHBondContact O-CD 3.08Å
292T38.8Very low46.8Very low117 Ų117124.6 Ų124.672%0.71871%0.714SS**  trans-53.6125.9175.426.50000109.3S290 S294S290-T292 PolarHBondContact O-N 2.89Å; T292-S294 PolarHBondContact O-N 3.14Å
293P40.9Very low46.3Very low125 Ų125119.8 Ų119.881%0.81270%0.698SS**  trans-71.6105177.427.1-29.9000108.6A295P293-A295 PolarHBondContact O-N 3.42Å
294S35Very low46.1Very low118 Ų118119.9 Ų119.983%0.82570%0.698SS**  trans-68.492.7168.6-61.30000109.1T292T292-S294 PolarHBondContact O-N 3.14Å
295A36Very low46.1Very low80 Ų80117.8 Ų117.866%0.66169%0.691SS**  trans-81.2122.2161.300000108.5P293 V297P293-A295 PolarHBondContact O-N 3.42Å; A295-V297 PolarHBondContact O-N 3.02Å
296P40Very low46.3Very low130 Ų130118 Ų11884%0.84469%0.689SS**  trans-84.995.5178.832.6-28.4000108.8
297V45.3Very low46.6Very low115 Ų115120.9 Ų120.970%0.69769%0.69SS**  trans-125.192.8171.1-178.20000108.6A295 V299A295-V297 PolarHBondContact O-N 3.02Å; V297-V299 VanDerWaalsContact C-N 3.3Å; V297-V299 WeakPolarHBondContact O-CG2 3.35Å; V297-V299 PolarHBondContact O-N 3.08Å
298A43.5Very low47.1Very low103 Ų103120 Ų12085%0.85168%0.682SS**SBendtrans45.231.2154.100000119.4E300A298-E300 VanDerWaalsContact C-N 3.33Å
299V48.3Very low48.1Very low84 Ų84115.3 Ų115.351%0.50967%0.672SS.*  trans-88.36176.2-153.10000113V297 A301 D302 V303V297-V299 VanDerWaalsContact C-N 3.3Å; V297-V299 WeakPolarHBondContact O-CG2 3.35Å; V297-V299 PolarHBondContact O-N 3.08Å; V299-A301 PolarHBondContact O-N 3.32Å; V299-A301 VanDerWaalsContact O-N 3.12Å; V299-D302 HydrophobicContact CG1-CB 3.91Å; V299-D302 PolarHBondContact O-N 3.45Å; V299-D302 VanDerWaalsContact O-N 3.08Å; V299-V303 HydrophobicContact CB-CG2 4.33Å; V299-V303 HydrophobicContact CG1-CG2 4.13Å; V299-V303 WeakPolarHBondContact O-CG2 3.41Å; V299-V303 PolarHBondContact O-N 2.9Å; V299-V303 VanDerWaalsContact O-N 3.1Å
300E47.3Very low49.2Very low165 Ų165110.4 Ų110.477%0.77166%0.655SS**Hα-helixtrans-58.2-34.5-172.3-68-171.516800113.3A298 Q304A298-E300 VanDerWaalsContact C-N 3.33Å; E300-Q304 PolarHBondContact O-N 3.32Å
301A51.7Low50.3Low81 Ų81106.8 Ų106.867%0.66963%0.633SS**Hα-helixtrans-69.2-35.917900000113.2V299 L305V299-A301 PolarHBondContact O-N 3.32Å; V299-A301 VanDerWaalsContact O-N 3.12Å; A301-L305 PolarHBondContact O-N 3.03Å
302D48.7Very low51.5Low101 Ų101105.9 Ų105.954%0.5462%0.622SS.*Hα-helixtrans-80-38.3-176.9-13914.5000111V299 Q304 L305 E306V299-D302 HydrophobicContact CG1-CB 3.91Å; V299-D302 PolarHBondContact O-N 3.45Å; V299-D302 VanDerWaalsContact O-N 3.08Å; D302-Q304 VanDerWaalsContact C-N 3.25Å; D302-Q304 PolarHBondContact O-N 3.36Å; D302-L305 PolarHBondContact O-N 3.01Å; D302-E306 PolarHBondContact O-N 3.41Å
303V55.9Low52.9Low64 Ų64103.1 Ų103.139%0.38861%0.611SS.*Hα-helixtrans-62.4-34.2175.31770000111.6V299 K307V299-V303 HydrophobicContact CB-CG2 4.33Å; V299-V303 HydrophobicContact CG1-CG2 4.13Å; V299-V303 WeakPolarHBondContact O-CG2 3.41Å; V299-V303 PolarHBondContact O-N 2.9Å; V299-V303 VanDerWaalsContact O-N 3.1Å; V303-K307 PolarHBondContact O-N 3.46Å
304Q56.4Low54.2Low130 Ų130103.3 Ų103.361%0.60760%0.601SS**Hα-helixtrans-68.6-43.8178-128.3166-2.300111.4E300 D302 K307 E308E300-Q304 PolarHBondContact O-N 3.32Å; D302-Q304 VanDerWaalsContact C-N 3.25Å; D302-Q304 PolarHBondContact O-N 3.36Å; Q304-K307 PolarHBondContact O-N 3.02Å; Q304-E308 WeakPolarHBondContact O-CG 3.38Å; Q304-E308 PolarHBondContact O-N 3.07Å
305L57.1Low56Low95 Ų95102 Ų10250%0.49758%0.584SS.*Hα-helixtrans-64-42.2177.6-16967.3000111.4A301 D302 E308 L309A301-L305 PolarHBondContact O-N 3.03Å; D302-L305 PolarHBondContact O-N 3.01Å; L305-E308 PolarHBondContact O-N 3.3Å; L305-L309 HydrophobicContact CG-CD1 4.08Å; L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 VanDerWaalsContact O-CG 3.24Å; L305-L309 WeakPolarHBondContact O-CG 3.47Å; L305-L309 PolarHBondContact O-N 3.12Å
306E56.2Low57.8Low125 Ų125103.2 Ų103.258%0.58458%0.58SS**Hα-helixtrans-61-45.7174.7-77.7-169.3148.100112.3D302 E308 L309 V310D302-E306 PolarHBondContact O-N 3.41Å; E306-E308 PolarHBondContact O-N 3.06Å; E306-L309 PolarHBondContact O-N 3.38Å; E306-V310 WeakPolarHBondContact O-CB 3.41Å; E306-V310 VanDerWaalsContact O-CG2 3.24Å; E306-V310 WeakPolarHBondContact O-CG2 3.27Å; E306-V310 PolarHBondContact O-N 3.4Å
307K61.6Low59.2Low152 Ų152101 Ų10166%0.66156%0.561SS**Hα-helixtrans-62-41.6179.1-86.8-176.5177.4176.80112.6V303 Q304 G311V303-K307 PolarHBondContact O-N 3.46Å; Q304-K307 PolarHBondContact O-N 3.02Å; K307-G311 PolarHBondContact O-N 3.3Å
308E62Low60.6Low122 Ų122100.8 Ų100.857%0.5755%0.552SS**Hα-helixtrans-66.8-43.1178.4-72.5-174162.100111.6Q304 L305 E306 N312Q304-E308 WeakPolarHBondContact O-CG 3.38Å; Q304-E308 PolarHBondContact O-N 3.07Å; L305-E308 PolarHBondContact O-N 3.3Å; E306-E308 PolarHBondContact O-N 3.06Å; E308-N312 WeakPolarHBondContact O-CB 3.35Å; E308-N312 PolarHBondContact O-N 2.67Å; E308-N312 PolarHBondContact O-ND2 2.95Å
309L59.7Low62.2Low112 Ų112100.5 Ų100.559%0.58654%0.536SS*.Hα-helixtrans-65.5-44.4178.4-70171.6000112.1L305 E306 A313L305-L309 HydrophobicContact CG-CD1 4.08Å; L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 VanDerWaalsContact O-CG 3.24Å; L305-L309 WeakPolarHBondContact O-CG 3.47Å; L305-L309 PolarHBondContact O-N 3.12Å; E306-L309 PolarHBondContact O-N 3.38Å; L309-A313 WeakPolarHBondContact O-CB 3.43Å; L309-A313 PolarHBondContact O-N 3.18Å; L309-A313 VanDerWaalsContact O-N 3.1Å
310V66.4Low63.7Low82 Ų8298.5 Ų98.550%0.49753%0.526SS..Hα-helixtrans-67.4-43.2178175.10000110.9E306 A313 Q314E306-V310 WeakPolarHBondContact O-CB 3.41Å; E306-V310 VanDerWaalsContact O-CG2 3.24Å; E306-V310 WeakPolarHBondContact O-CG2 3.27Å; E306-V310 PolarHBondContact O-N 3.4Å; V310-A313 PolarHBondContact O-N 3Å; V310-Q314 HydrophobicContact CG1-CG 4.46Å; V310-Q314 WeakPolarHBondContact O-CG 3.48Å; V310-Q314 PolarHBondContact O-N 2.73Å
311G62.1Low65.3Low23 Ų2394 Ų9424%0.23751%0.51CS..Hα-helixtrans-62.3-43.4178.900000112.7K307 Q314 N315K307-G311 PolarHBondContact O-N 3.3Å; G311-Q314 PolarHBondContact O-N 3.43Å; G311-N315 PolarHBondContact O-N 3.46Å; G311-N315 VanDerWaalsContact O-N 3.11Å; G311-N315 PolarHBondContact O-ND2 3.02Å; G311-N315 VanDerWaalsContact O-ND2 3.09Å
312N69Low66.7Low100 Ų10094.8 Ų94.854%0.53550%0.5SS..Hα-helixtrans-65-45176.9-69.9-16.5000111.5E308 Q314 N315 D316E308-N312 WeakPolarHBondContact O-CB 3.35Å; E308-N312 PolarHBondContact O-N 2.67Å; E308-N312 PolarHBondContact O-ND2 2.95Å; N312-Q314 VanDerWaalsContact C-N 3.34Å; N312-Q314 PolarHBondContact O-N 3.25Å; N312-N315 PolarHBondContact O-N 3.34Å; N312-D316 PolarHBondContact O-N 3.42Å
313A66.6Low68.5Low59 Ų5993.5 Ų93.549%0.48850%0.499SS..Hα-helixtrans-62.6-38.7178.600000112.8L309 V310 L317L309-A313 WeakPolarHBondContact O-CB 3.43Å; L309-A313 PolarHBondContact O-N 3.18Å; L309-A313 VanDerWaalsContact O-N 3.1Å; V310-A313 PolarHBondContact O-N 3Å; A313-L317 WeakPolarHBondContact O-CB 3.24Å; A313-L317 PolarHBondContact O-N 3.43Å; A313-L317 VanDerWaalsContact O-N 3.15Å
314Q69.5Low70Confident128 Ų12892 Ų9260%0.59849%0.488SS*.Hα-helixtrans-66.5-43.4176.3-76.9-177.9-42.500112.3V310 G311 N312 L317 Q318V310-Q314 HydrophobicContact CG1-CG 4.46Å; V310-Q314 WeakPolarHBondContact O-CG 3.48Å; V310-Q314 PolarHBondContact O-N 2.73Å; G311-Q314 PolarHBondContact O-N 3.43Å; N312-Q314 VanDerWaalsContact C-N 3.34Å; N312-Q314 PolarHBondContact O-N 3.25Å; Q314-L317 PolarHBondContact O-N 3.43Å; Q314-Q318 WeakPolarHBondContact O-CB 3.39Å; Q314-Q318 PolarHBondContact O-N 2.94Å
315N72Confident71.7Confident90 Ų9090.4 Ų90.448%0.48148%0.484SS..Hα-helixtrans-62.8-43.1177.6-78.5-43.1000112G311 N312 L317 Q318 N319G311-N315 PolarHBondContact O-N 3.46Å; G311-N315 VanDerWaalsContact O-N 3.11Å; G311-N315 PolarHBondContact O-ND2 3.02Å; G311-N315 VanDerWaalsContact O-ND2 3.09Å; N312-N315 PolarHBondContact O-N 3.34Å; N315-L317 VanDerWaalsContact C-N 3.33Å; N315-L317 PolarHBondContact O-N 2.9Å; N315-Q318 PolarHBondContact O-N 3Å; N315-N319 WeakPolarHBondContact O-CB 3.07Å; N315-N319 VanDerWaalsContact O-CG 3.23Å; N315-N319 PolarHBondContact O-N 3.39Å; N315-N319 PolarHBondContact O-ND2 2.85Å
316D73.7Confident73.3Confident107 Ų10791.6 Ų91.657%0.57249%0.491SS*.Hα-helixtrans-64.4-38.1178.3-75.5-18000112.2N312 S320N312-D316 PolarHBondContact O-N 3.42Å; D316-S320 WeakPolarHBondContact O-CB 3.32Å; D316-S320 PolarHBondContact O-N 3.16Å; D316-S320 VanDerWaalsContact O-N 3.08Å; D316-S320 PolarHBondContact O-OG 3.2Å
317L70.8Confident75.1Confident83 Ų8386.9 Ų86.944%0.43547%0.468SS..Hα-helixtrans-67.4-42.7176.4-145.390.9000111.5A313 Q314 N315 S320 T321 F386A313-L317 WeakPolarHBondContact O-CB 3.24Å; A313-L317 PolarHBondContact O-N 3.43Å; A313-L317 VanDerWaalsContact O-N 3.15Å; Q314-L317 PolarHBondContact O-N 3.43Å; N315-L317 VanDerWaalsContact C-N 3.33Å; N315-L317 PolarHBondContact O-N 2.9Å; L317-S320 PolarHBondContact O-N 2.94Å; L317-T321 WeakPolarHBondContact O-CB 3.46Å; L317-T321 PolarHBondContact O-N 3.31Å; L317-T321 PolarHBondContact O-OG1 3.3Å; L317-F386 HydrophobicContact CD1-CE2 4.17Å; L317-F386 HydrophobicContact CD1-CZ 3.71Å
318Q74.7Confident76.6Confident110 Ų11083.8 Ų83.851%0.51446%0.457SS..Hα-helixtrans-66.4-47.3-180-173.4166.9-12.700111.4Q314 N315 S320 T321 E322Q314-Q318 WeakPolarHBondContact O-CB 3.39Å; Q314-Q318 PolarHBondContact O-N 2.94Å; N315-Q318 PolarHBondContact O-N 3Å; Q318-S320 VanDerWaalsContact C-N 3.29Å; Q318-S320 PolarHBondContact O-N 3.19Å; Q318-T321 PolarHBondContact O-N 3.29Å; Q318-E322 PolarHBondContact NE2-OE1 3.39Å; Q318-E322 VanDerWaalsContact NE2-OE1 3.16Å; Q318-E322 PolarHBondContact O-N 3.4Å
319N77.4Confident78.1Confident97 Ų9780.8 Ų80.852%0.51945%0.453SS..Hα-helixtrans-59.4-40.2175.9-71.1-25.7000112.1N315 T321 S323N315-N319 WeakPolarHBondContact O-CB 3.07Å; N315-N319 VanDerWaalsContact O-CG 3.23Å; N315-N319 PolarHBondContact O-N 3.39Å; N315-N319 PolarHBondContact O-ND2 2.85Å; N319-T321 VanDerWaalsContact C-N 3.31Å; N319-T321 PolarHBondContact O-N 2.92Å; N319-S323 WeakPolarHBondContact O-CB 3.4Å; N319-S323 PolarHBondContact O-N 3.28Å; N319-S323 VanDerWaalsContact O-N 3.16Å
320S78.4Confident79.7Confident42 Ų4277.7 Ų77.729%0.29444%0.444SS..Hα-helixtrans-63.7-37.5175.4-62.20000112.3D316 L317 Q318 L324 R382D316-S320 WeakPolarHBondContact O-CB 3.32Å; D316-S320 PolarHBondContact O-N 3.16Å; D316-S320 VanDerWaalsContact O-N 3.08Å; D316-S320 PolarHBondContact O-OG 3.2Å; L317-S320 PolarHBondContact O-N 2.94Å; Q318-S320 VanDerWaalsContact C-N 3.29Å; Q318-S320 PolarHBondContact O-N 3.19Å; S320-L324 PolarHBondContact O-N 2.97Å; S320-R382 PolarHBondContact OG-NH1 3.19Å; S320-R382 VanDerWaalsContact OG-NH1 3.08Å; S320-R382 PolarHBondContact OG-NH2 3.03Å
321T80.6Confident81.1Confident70 Ų7074.5 Ų74.543%0.42942%0.424SS..Hα-helixtrans-73-47.3-177.7-53.90000110.8L317 Q318 N319 S323 L324 D325L317-T321 WeakPolarHBondContact O-CB 3.46Å; L317-T321 PolarHBondContact O-N 3.31Å; L317-T321 PolarHBondContact O-OG1 3.3Å; Q318-T321 PolarHBondContact O-N 3.29Å; N319-T321 VanDerWaalsContact C-N 3.31Å; N319-T321 PolarHBondContact O-N 2.92Å; T321-S323 VanDerWaalsContact C-N 3.32Å; T321-S323 PolarHBondContact O-N 3.47Å; T321-L324 WeakPolarHBondContact O-CB 3.49Å; T321-L324 PolarHBondContact O-N 3.14Å; T321-L324 VanDerWaalsContact O-N 3.08Å; T321-D325 PolarHBondContact O-N 2.79Å
322E82.9Confident82.6Confident98 Ų9877.9 Ų77.946%0.45844%0.437SS..Hα-helixtrans-59.3-42.4177-71.2178.6-169.200111.5Q318 L324 D325 D326Q318-E322 PolarHBondContact NE2-OE1 3.39Å; Q318-E322 VanDerWaalsContact NE2-OE1 3.16Å; Q318-E322 PolarHBondContact O-N 3.4Å; E322-L324 VanDerWaalsContact C-N 3.28Å; E322-L324 PolarHBondContact O-N 3.4Å; E322-D325 PolarHBondContact O-N 3.19Å; E322-D326 PolarHBondContact O-N 3.28Å
323S85.8Confident83.9Confident75 Ų7578.1 Ų78.152%0.52444%0.438SS..Hα-helixtrans-62.7-32.8176.3-179.40000113.4N319 T321 F327N319-S323 WeakPolarHBondContact O-CB 3.4Å; N319-S323 PolarHBondContact O-N 3.28Å; N319-S323 VanDerWaalsContact O-N 3.16Å; T321-S323 VanDerWaalsContact C-N 3.32Å; T321-S323 PolarHBondContact O-N 3.47Å; S323-F327 PolarHBondContact O-N 3.15Å
324L87.9Confident85.2Confident32 Ų3280 Ų8017%0.16843%0.432CS..Hα-helixtrans-75.6-39.8178.4179.766.9000111.1S320 T321 E322 D326 F327 M328 H375 L379S320-L324 PolarHBondContact O-N 2.97Å; T321-L324 WeakPolarHBondContact O-CB 3.49Å; T321-L324 PolarHBondContact O-N 3.14Å; T321-L324 VanDerWaalsContact O-N 3.08Å; E322-L324 VanDerWaalsContact C-N 3.28Å; E322-L324 PolarHBondContact O-N 3.4Å; L324-D326 VanDerWaalsContact C-N 3.35Å; L324-F327 WeakPolarHBondContact O-CB 3.49Å; L324-F327 PolarHBondContact O-N 3.45Å; L324-M328 WeakPolarHBondContact O-CG 3.27Å; L324-M328 PolarHBondContact O-N 3.3Å; L324-H375 HydrophobicContact CD1-CB 3.88Å; L324-L379 HydrophobicContact CD2-CD1 3.79Å; L324-L379 HydrophobicContact CD2-CD2 4.2Å; L324-L379 HydrophobicContact CD2-CG 4.41Å
325D90.5Very high86.4Confident97 Ų9777.4 Ų77.452%0.51942%0.422SS..Hα-helixtrans-63.3-41.6177.5-74.3-25.6000111.5T321 E322 F327 M328 A329T321-D325 PolarHBondContact O-N 2.79Å; E322-D325 PolarHBondContact O-N 3.19Å; D325-F327 PolarHBondContact O-N 3.49Å; D325-M328 PolarHBondContact O-N 2.88Å; D325-A329 WeakPolarHBondContact O-CB 3.34Å; D325-A329 PolarHBondContact O-N 2.86Å
326D92.5Very high87.5Confident119 Ų11976.5 Ų76.564%0.63642%0.418SS*.Hα-helixtrans-61.6-42.4174-79-15.9000112.2E322 L324 A329 A330E322-D326 PolarHBondContact O-N 3.28Å; L324-D326 VanDerWaalsContact C-N 3.35Å; D326-A329 PolarHBondContact O-N 2.95Å; D326-A330 WeakPolarHBondContact O-CB 3.25Å; D326-A330 PolarHBondContact O-N 3Å
327F92.7Very high88.3Confident26 Ų2674.5 Ų74.511%0.11441%0.409CS..Hα-helixtrans-61.9-45.3175.1171.3-97.9000111.5S323 L324 D325 A330 L331 M368 Q371 L372 H375S323-F327 PolarHBondContact O-N 3.15Å; L324-F327 WeakPolarHBondContact O-CB 3.49Å; L324-F327 PolarHBondContact O-N 3.45Å; D325-F327 PolarHBondContact O-N 3.49Å; F327-A330 PolarHBondContact O-N 2.88Å; F327-L331 HydrophobicContact CE1-CD2 4.37Å; F327-L331 WeakPolarHBondContact O-CB 3.18Å; F327-L331 PolarHBondContact O-N 3.47Å; F327-M368 HydrophobicContact CE2-CB 4.28Å; F327-M368 HydrophobicContact CE2-CG 4.39Å; F327-M368 HydrophobicContact CZ-CB 4.32Å; F327-M368 WeakPolarHBondContact CZ-O 3.25Å; F327-Q371 HydrophobicContact CE2-CB 3.84Å; F327-Q371 HydrophobicContact CZ-CB 3.86Å; F327-L372 HydrophobicContact CE1-CB 4.02Å; F327-L372 HydrophobicContact CE1-CD1 4.1Å; F327-L372 HydrophobicContact CZ-CB 4.17Å; F327-H375 AromaticContact CD1-CD2 3.98Å
328M92.5Very high89.4Confident87 Ų8773 Ų7343%0.42940%0.399SS..Hα-helixtrans-64.3-39.8178.2-74.1-62.5-67.300112L324 D325 L331 N332 L372L324-M328 WeakPolarHBondContact O-CG 3.27Å; L324-M328 PolarHBondContact O-N 3.3Å; D325-M328 PolarHBondContact O-N 2.88Å; M328-L331 PolarHBondContact O-N 3.38Å; M328-L331 HydrophobicContact SD-CD2 4.44Å; M328-N332 WeakPolarHBondContact O-CB 3.29Å; M328-N332 PolarHBondContact O-N 3.39Å; M328-L372 HydrophobicContact SD-CD1 3.84Å
329A94.5Very high90.2Very high59 Ų5970.5 Ų70.549%0.48839%0.391SS..Hα-helixtrans-62.6-46.4174.600000111.7D325 D326 N332 D333D325-A329 WeakPolarHBondContact O-CB 3.34Å; D325-A329 PolarHBondContact O-N 2.86Å; D326-A329 PolarHBondContact O-N 2.95Å; A329-N332 PolarHBondContact O-N 2.85Å; A329-D333 PolarHBondContact O-N 3.41Å
330A94Very high90.8Very high47 Ų4770.5 Ų70.539%0.38839%0.391SS..Hα-helixtrans-64.9-39177.900000112.9D326 F327 R334D326-A330 WeakPolarHBondContact O-CB 3.25Å; D326-A330 PolarHBondContact O-N 3Å; F327-A330 PolarHBondContact O-N 2.88Å; A330-R334 WeakPolarHBondContact O-CB 3.38Å; A330-R334 PolarHBondContact O-N 3.49Å; A330-R334 VanDerWaalsContact O-N 3.12Å
331L94.6Very high91.3Very high16 Ų1672.2 Ų72.28%0.08439%0.391CS..Hα-helixtrans-62.4-46.4174.2173.860.1000110.9F327 M328 R334 L335 L365 M368 L372F327-L331 HydrophobicContact CE1-CD2 4.37Å; F327-L331 WeakPolarHBondContact O-CB 3.18Å; F327-L331 PolarHBondContact O-N 3.47Å; M328-L331 PolarHBondContact O-N 3.38Å; M328-L331 HydrophobicContact SD-CD2 4.44Å; L331-R334 PolarHBondContact O-N 3.15Å; L331-L335 HydrophobicContact CD1-CD1 4.1Å; L331-L335 HydrophobicContact CD1-CG 4.23Å; L331-L335 HydrophobicContact CG-CD1 4.09Å; L331-L335 WeakPolarHBondContact O-CB 3.4Å; L331-L335 WeakPolarHBondContact O-CG 3.43Å; L331-L335 PolarHBondContact O-N 2.92Å; L331-L365 HydrophobicContact CD1-CD2 4Å; L331-M368 HydrophobicContact CB-CE 4.5Å; L331-M368 HydrophobicContact CD1-CB 3.98Å; L331-M368 HydrophobicContact CD1-CE 3.69Å; L331-L372 HydrophobicContact CD2-CD2 4Å
332N94.8Very high91.8Very high93 Ų9370.2 Ų70.250%0.49738%0.379SS..Hα-helixtrans-63.2-45.6178.6-17544.5000112M328 A329 R334 L335 N336M328-N332 WeakPolarHBondContact O-CB 3.29Å; M328-N332 PolarHBondContact O-N 3.39Å; A329-N332 PolarHBondContact O-N 2.85Å; N332-R334 VanDerWaalsContact C-N 3.3Å; N332-R334 PolarHBondContact O-N 3.15Å; N332-L335 PolarHBondContact O-N 3.43Å; N332-N336 WeakPolarHBondContact O-CB 3.31Å; N332-N336 VanDerWaalsContact O-CG 3.29Å; N332-N336 PolarHBondContact O-N 2.92Å; N332-N336 PolarHBondContact O-ND2 2.95Å; N332-N336 PolarHBondContact OD1-ND2 3.4Å
333D95.5Very high92.1Very high105 Ų10571.6 Ų71.656%0.56138%0.383SS*.Hα-helixtrans-59.4-41.6177.7-175.555.4000112A329 N336 T337A329-D333 PolarHBondContact O-N 3.41Å; D333-N336 PolarHBondContact O-N 3.24Å; D333-T337 WeakPolarHBondContact O-CB 3.38Å; D333-T337 PolarHBondContact O-N 2.9Å; D333-T337 PolarHBondContact O-OG1 3.01Å
334R93.9Very high92.2Very high99 Ų9970.1 Ų70.137%0.37437%0.373SS..Hα-helixtrans-71.6-38.2178.1-160.2169.9-55.3-94.5-9.8113A330 L331 N332 N336 T337 F338 S364 L365 M368A330-R334 WeakPolarHBondContact O-CB 3.38Å; A330-R334 PolarHBondContact O-N 3.49Å; A330-R334 VanDerWaalsContact O-N 3.12Å; L331-R334 PolarHBondContact O-N 3.15Å; N332-R334 VanDerWaalsContact C-N 3.3Å; N332-R334 PolarHBondContact O-N 3.15Å; R334-N336 VanDerWaalsContact C-N 3.33Å; R334-T337 PolarHBondContact O-N 2.95Å; R334-F338 WeakPolarHBondContact O-CB 3.33Å; R334-F338 PolarHBondContact O-N 3.42Å; R334-S364 WeakPolarHBondContact CD-OG 3.32Å; R334-S364 PolarHBondContact NE-OG 2.86Å; R334-S364 VanDerWaalsContact NE-OG 3.16Å; R334-S364 PolarHBondContact NH1-OG 3.45Å; R334-L365 HydrophobicContact CB-CD2 4.17Å; R334-L365 HydrophobicContact CG-CD2 4.21Å; R334-L365 HydrophobicContact CG-CG 4.34Å; R334-M368 HydrophobicContact CB-CE 3.75Å; R334-M368 VanDerWaalsContact CD-CE 3.43Å; R334-M368 HydrophobicContact CG-CE 4.06Å
335L94.7Very high92.1Very high74 Ų7468.6 Ų68.639%0.38737%0.365SS..Hα-helixtrans-60.2-45.7172.6-81.7171.1000110.5L331 N332 T337 F338 V339 L365L331-L335 HydrophobicContact CD1-CD1 4.1Å; L331-L335 HydrophobicContact CD1-CG 4.23Å; L331-L335 HydrophobicContact CG-CD1 4.09Å; L331-L335 WeakPolarHBondContact O-CB 3.4Å; L331-L335 WeakPolarHBondContact O-CG 3.43Å; L331-L335 PolarHBondContact O-N 2.92Å; N332-L335 PolarHBondContact O-N 3.43Å; L335-T337 VanDerWaalsContact C-N 3.34Å; L335-T337 PolarHBondContact O-N 3.46Å; L335-F338 PolarHBondContact O-N 2.94Å; L335-V339 WeakPolarHBondContact O-CB 3.49Å; L335-V339 VanDerWaalsContact O-CG2 3.31Å; L335-V339 WeakPolarHBondContact O-CG2 3.39Å; L335-V339 PolarHBondContact O-N 3.33Å; L335-L365 HydrophobicContact CB-CD2 4.39Å; L335-L365 HydrophobicContact CD2-CD1 3.91Å; L335-L365 HydrophobicContact CD2-CD2 3.53Å; L335-L365 HydrophobicContact CD2-CG 4.34Å; L335-L365 HydrophobicContact CG-CD2 3.57Å
336N94.7Very high91.8Very high71 Ų7170.1 Ų70.138%0.3837%0.369SS..Hα-helixtrans-61-43.7176.1-73.6-42.7000111.5N332 D333 R334 F338 V339 N340N332-N336 WeakPolarHBondContact O-CB 3.31Å; N332-N336 VanDerWaalsContact O-CG 3.29Å; N332-N336 PolarHBondContact O-N 2.92Å; N332-N336 PolarHBondContact O-ND2 2.95Å; N332-N336 PolarHBondContact OD1-ND2 3.4Å; D333-N336 PolarHBondContact O-N 3.24Å; R334-N336 VanDerWaalsContact C-N 3.33Å; N336-F338 PolarHBondContact O-N 3.45Å; N336-V339 PolarHBondContact O-N 2.86Å; N336-N340 WeakPolarHBondContact O-CB 3.35Å; N336-N340 PolarHBondContact O-N 3.32Å; N336-N340 PolarHBondContact O-ND2 3.41Å; N336-N340 VanDerWaalsContact O-ND2 3.1Å
337T91.9Very high91.6Very high64 Ų6468.8 Ų68.839%0.39338%0.375SS..Hα-helixtrans-59.2-46.5174.8-630000111.8D333 R334 L335 R341 T361D333-T337 WeakPolarHBondContact O-CB 3.38Å; D333-T337 PolarHBondContact O-N 2.9Å; D333-T337 PolarHBondContact O-OG1 3.01Å; R334-T337 PolarHBondContact O-N 2.95Å; L335-T337 VanDerWaalsContact C-N 3.34Å; L335-T337 PolarHBondContact O-N 3.46Å; T337-R341 WeakPolarHBondContact O-CB 3.5Å; T337-R341 PolarHBondContact O-N 3.01Å; T337-T361 HydrophobicContact CG2-CG2 4.38Å
338F93Very high91.4Very high52 Ų5272.8 Ų72.823%0.22839%0.389CS..Hα-helixtrans-61.7-51.5177.6179.5-102.3000111.6R334 L335 N336 N340 R341 V342 L358 T361 F362 L365R334-F338 WeakPolarHBondContact O-CB 3.33Å; R334-F338 PolarHBondContact O-N 3.42Å; L335-F338 PolarHBondContact O-N 2.94Å; N336-F338 PolarHBondContact O-N 3.45Å; F338-N340 PolarHBondContact O-N 2.97Å; F338-R341 PolarHBondContact O-N 3.5Å; F338-V342 HydrophobicContact CD1-CG2 4.26Å; F338-V342 HydrophobicContact CD2-CG2 4.49Å; F338-V342 HydrophobicContact CE1-CG2 3.94Å; F338-V342 HydrophobicContact CE2-CG2 4.19Å; F338-V342 HydrophobicContact CZ-CG2 3.91Å; F338-V342 WeakPolarHBondContact O-CG2 3.36Å; F338-V342 PolarHBondContact O-N 3.23Å; F338-L358 HydrophobicContact CD2-CD2 3.88Å; F338-L358 HydrophobicContact CE2-CD2 4.01Å; F338-T361 WeakPolarHBondContact CD2-OG1 3.42Å; F338-F362 HydrophobicContact CE2-CB 3.95Å; F338-F362 HydrophobicContact CZ-CD2 4.34Å; F338-L365 HydrophobicContact CB-CD1 3.62Å; F338-L365 HydrophobicContact CD1-CD1 4.01Å; F338-L365 HydrophobicContact CD2-CD1 4.17Å; F338-L365 HydrophobicContact CG-CD1 3.67Å
339V92.1Very high90.8Very high58 Ų5872 Ų7235%0.35240%0.404SS..Hα-helixtrans-60.4-47.4-179.6171.20000111.4L335 N336 R341 V342 K343L335-V339 WeakPolarHBondContact O-CB 3.49Å; L335-V339 VanDerWaalsContact O-CG2 3.31Å; L335-V339 WeakPolarHBondContact O-CG2 3.39Å; L335-V339 PolarHBondContact O-N 3.33Å; N336-V339 PolarHBondContact O-N 2.86Å; V339-R341 VanDerWaalsContact C-N 3.26Å; V339-R341 PolarHBondContact O-N 3.4Å; V339-V342 PolarHBondContact O-N 2.99Å; V339-K343 HydrophobicContact CG1-CD 4.1Å; V339-K343 WeakPolarHBondContact O-CG 3.43Å; V339-K343 PolarHBondContact O-N 3.03Å
340N90.3Very high90.1Very high97 Ų9775.8 Ų75.852%0.51941%0.405SS..Hα-helixtrans-62.7-36.7178.3-72.3-28.6000111.4N336 F338 S344N336-N340 WeakPolarHBondContact O-CB 3.35Å; N336-N340 PolarHBondContact O-N 3.32Å; N336-N340 PolarHBondContact O-ND2 3.41Å; N336-N340 VanDerWaalsContact O-ND2 3.1Å; F338-N340 PolarHBondContact O-N 2.97Å; N340-S344 VanDerWaalsContact O-CB 3.23Å; N340-S344 WeakPolarHBondContact O-CB 3.45Å; N340-S344 PolarHBondContact O-N 3.33Å
341R88.9Confident89.5Confident77 Ų7776.5 Ų76.529%0.29141%0.407SS..Hα-helixtrans-70.7-40.8177.3-173.566.3-176.8-162.6-7.1112.6T337 F338 V339 S344 S345 D355 L358T337-R341 WeakPolarHBondContact O-CB 3.5Å; T337-R341 PolarHBondContact O-N 3.01Å; F338-R341 PolarHBondContact O-N 3.5Å; V339-R341 VanDerWaalsContact C-N 3.26Å; V339-R341 PolarHBondContact O-N 3.4Å; R341-S344 PolarHBondContact O-N 3.25Å; R341-S345 PolarHBondContact O-N 2.89Å; R341-D355 IonicContact CZ-OD2 3.21Å; R341-D355 IonicContact NE-OD1 3.9Å; R341-D355 IonicContact NE-OD2 2.79Å; R341-D355 PolarHBondContact NE-OD2 2.97Å; R341-D355 IonicContact NH2-OD1 3.67Å; R341-D355 IonicContact NH2-OD2 2.79Å; R341-D355 PolarHBondContact NH2-OD2 2.94Å; R341-L358 HydrophobicContact CB-CD2 3.52Å; R341-L358 HydrophobicContact CB-CG 4.35Å; R341-L358 HydrophobicContact CG-CD1 4.26Å; R341-L358 HydrophobicContact CG-CD2 3.33Å; R341-L358 HydrophobicContact CG-CG 3.62Å
342V89.8Confident88.7Confident28 Ų2878.3 Ų78.317%0.1742%0.419CS..Hα-helixtrans-60.8-49.9175171.80000110F338 V339 S344 S345 Q346 L358F338-V342 HydrophobicContact CD1-CG2 4.26Å; F338-V342 HydrophobicContact CD2-CG2 4.49Å; F338-V342 HydrophobicContact CE1-CG2 3.94Å; F338-V342 HydrophobicContact CE2-CG2 4.19Å; F338-V342 HydrophobicContact CZ-CG2 3.91Å; F338-V342 WeakPolarHBondContact O-CG2 3.36Å; F338-V342 PolarHBondContact O-N 3.23Å; V339-V342 PolarHBondContact O-N 2.99Å; V342-S344 VanDerWaalsContact C-N 3.32Å; V342-S344 PolarHBondContact O-N 3.26Å; V342-S345 PolarHBondContact O-N 3.19Å; V342-Q346 WeakPolarHBondContact O-CG 3.45Å; V342-Q346 PolarHBondContact O-N 3.04Å; V342-L358 HydrophobicContact CG2-CD1 4.16Å; V342-L358 HydrophobicContact CG2-CD2 3.63Å
343K90.4Very high87.9Confident127 Ų12780.2 Ų80.255%0.55243%0.428SS*.Hα-helixtrans-57.4-44.3176.5-71.9175.6-1801760111.8V339 Q346 A347V339-K343 HydrophobicContact CG1-CD 4.1Å; V339-K343 WeakPolarHBondContact O-CG 3.43Å; V339-K343 PolarHBondContact O-N 3.03Å; K343-Q346 PolarHBondContact O-N 3Å; K343-A347 WeakPolarHBondContact O-CB 3.32Å; K343-A347 PolarHBondContact O-N 3.24Å
344S87.4Confident87.2Confident45 Ų4580.3 Ų80.332%0.31543%0.432SS..Hα-helixtrans-67.4-33.8178.5-177.10000113.6N340 R341 V342 R348N340-S344 VanDerWaalsContact O-CB 3.23Å; N340-S344 WeakPolarHBondContact O-CB 3.45Å; N340-S344 PolarHBondContact O-N 3.33Å; R341-S344 PolarHBondContact O-N 3.25Å; V342-S344 VanDerWaalsContact C-N 3.32Å; V342-S344 PolarHBondContact O-N 3.26Å; S344-R348 WeakPolarHBondContact O-CG 3.38Å; S344-R348 PolarHBondContact O-N 3.21Å; S344-R348 PolarHBondContact O-NE 3.13Å; S344-R348 VanDerWaalsContact OG-CZ 3.31Å; S344-R348 PolarHBondContact OG-NE 3.22Å; S344-R348 PolarHBondContact OG-NH2 3.35Å
345S85.3Confident86.9Confident0 Ų076.3 Ų76.30%042%0.418CS..Hα-helixtrans-70.4-42.8175.4-165.40000111R341 V342 R348 G349 R350R341-S345 PolarHBondContact O-N 2.89Å; V342-S345 PolarHBondContact O-N 3.19Å; S345-R348 PolarHBondContact O-N 3.29Å; S345-G349 PolarHBondContact O-N 2.65Å; S345-R350 PolarHBondContact O-N 2.99Å; S345-R350 PolarHBondContact OG-O 2.9Å
346Q85.3Confident86.6Confident128 Ų12877.1 Ų77.160%0.59843%0.426SS*.Hα-helixtrans-63-46.9176.2-72.4177.3-10.100111.8V342 K343 R348 G349 V352V342-Q346 WeakPolarHBondContact O-CG 3.45Å; V342-Q346 PolarHBondContact O-N 3.04Å; K343-Q346 PolarHBondContact O-N 3Å; Q346-R348 PolarHBondContact O-N 2.65Å; Q346-G349 PolarHBondContact O-N 3.16Å; Q346-G349 VanDerWaalsContact O-N 3.09Å; Q346-V352 HydrophobicContact CG-CG2 4.28Å
347A88.3Confident86.2Confident91 Ų9176.8 Ų76.875%0.75243%0.427SS*.Hα-helixtrans-62.1-29.1178.900000113.4K343K343-A347 WeakPolarHBondContact O-CB 3.32Å; K343-A347 PolarHBondContact O-N 3.24Å
348R87.8Confident86Confident110 Ų11074 Ų7442%0.41541%0.41SS..THydrogen-bonded Turntrans-932.4178.1-68.9-178.9-70.5178.7-1.1113.8S344 S345 Q346 R350S344-R348 WeakPolarHBondContact O-CG 3.38Å; S344-R348 PolarHBondContact O-N 3.21Å; S344-R348 PolarHBondContact O-NE 3.13Å; S344-R348 VanDerWaalsContact OG-CZ 3.31Å; S344-R348 PolarHBondContact OG-NE 3.22Å; S344-R348 PolarHBondContact OG-NH2 3.35Å; S345-R348 PolarHBondContact O-N 3.29Å; Q346-R348 PolarHBondContact O-N 2.65Å; R348-R350 HydrophobicContact CB-CG 4.2Å; R348-R350 PolarHBondContact O-N 3.49Å
349G80.4Confident85.8Confident71 Ų7176.1 Ų76.173%0.73242%0.42SS*.THydrogen-bonded Turntrans63.820.8-176.300000114.5S345 Q346S345-G349 PolarHBondContact O-N 2.65Å; Q346-G349 PolarHBondContact O-N 3.16Å; Q346-G349 VanDerWaalsContact O-N 3.09Å
350R79.8Confident85.8Confident139 Ų13978.3 Ų78.353%0.52543%0.43SS..  trans-86.3139.2177.5-64.8-179.1-173.3-178.5-0.6109.9S345 R348 V352S345-R350 PolarHBondContact O-N 2.99Å; S345-R350 PolarHBondContact OG-O 2.9Å; R348-R350 HydrophobicContact CB-CG 4.2Å; R348-R350 PolarHBondContact O-N 3.49Å; R350-V352 PolarHBondContact O-N 2.99Å
351S80Confident85.8Confident61 Ų6174.3 Ų74.343%0.42741%0.409SS..  trans-62.6118176.4174.10000110.9I353 T354S351-I353 PolarHBondContact O-N 2.93Å; S351-I353 PolarHBondContact OG-N 3.04Å; S351-T354 WeakPolarHBondContact CB-OG1 3.49Å; S351-T354 PolarHBondContact O-N 3.28Å; S351-T354 PolarHBondContact O-OG1 3.45Å
352V77.7Confident85.9Confident55 Ų5576 Ų7633%0.33342%0.419SS..G310 helixtrans-56.5-33.1175.3169.60000111.4Q346 R350 D355 L358Q346-V352 HydrophobicContact CG-CG2 4.28Å; R350-V352 PolarHBondContact O-N 2.99Å; V352-D355 PolarHBondContact O-N 2.95Å; V352-L358 HydrophobicContact CB-CD1 4.35Å; V352-L358 HydrophobicContact CG1-CD1 3.83Å
353I78.7Confident86Confident133 Ų13380.1 Ų80.168%0.68244%0.439SS*.G310 helixtrans-70.5-35.6-177.3-56.9172.3000111.1S351 D355 Q359S351-I353 PolarHBondContact O-N 2.93Å; S351-I353 PolarHBondContact OG-N 3.04Å; I353-D355 VanDerWaalsContact C-N 3.3Å; I353-D355 PolarHBondContact O-N 3.22Å; I353-Q359 PolarHBondContact O-NE2 2.9Å
354T81.8Confident86.2Confident106 Ų10675.7 Ų75.765%0.6542%0.424SS*.G310 helixtrans-80.2-10.3-178.555.20000113.8S351 T356S351-T354 WeakPolarHBondContact CB-OG1 3.49Å; S351-T354 PolarHBondContact O-N 3.28Å; S351-T354 PolarHBondContact O-OG1 3.45Å; T354-T356 PolarHBondContact O-N 3Å
355D86.3Confident86.5Confident16 Ų1674.5 Ų74.59%0.08641%0.414CS..  trans-79.1104.6-178.4-169.2-37.8000110.6R341 V352 I353 T357 L358 Q359R341-D355 IonicContact CZ-OD2 3.21Å; R341-D355 IonicContact NE-OD1 3.9Å; R341-D355 IonicContact NE-OD2 2.79Å; R341-D355 PolarHBondContact NE-OD2 2.97Å; R341-D355 IonicContact NH2-OD1 3.67Å; R341-D355 IonicContact NH2-OD2 2.79Å; R341-D355 PolarHBondContact NH2-OD2 2.94Å; V352-D355 PolarHBondContact O-N 2.95Å; I353-D355 VanDerWaalsContact C-N 3.3Å; I353-D355 PolarHBondContact O-N 3.22Å; D355-T357 PolarHBondContact O-N 3.13Å; D355-T357 WeakPolarHBondContact OD1-CA 3.44Å; D355-T357 VanDerWaalsContact OD1-CB 3.23Å; D355-T357 WeakPolarHBondContact OD1-CB 3.31Å; D355-T357 PolarHBondContact OD1-N 3.36Å; D355-L358 HydrophobicContact CB-CB 4.05Å; D355-L358 HydrophobicContact CB-CD1 3.87Å; D355-L358 HydrophobicContact CB-CG 3.98Å; D355-L358 PolarHBondContact O-N 3.49Å; D355-L358 VanDerWaalsContact O-N 3.14Å; D355-L358 PolarHBondContact OD1-N 2.9Å; D355-L358 VanDerWaalsContact OD1-N 3.17Å; D355-Q359 PolarHBondContact O-N 2.91Å; D355-Q359 VanDerWaalsContact O-N 3.12Å
356T87.8Confident86.8Confident90 Ų9077.6 Ų77.655%0.55243%0.433SS*.Hα-helixtrans-61.1-29178.5520000113.1T354 Q359 N360T354-T356 PolarHBondContact O-N 3Å; T356-Q359 PolarHBondContact O-N 2.92Å; T356-N360 WeakPolarHBondContact O-CB 3.43Å; T356-N360 VanDerWaalsContact O-CG 3.23Å; T356-N360 PolarHBondContact O-N 3.47Å; T356-N360 PolarHBondContact O-ND2 3.36Å
357T87.6Confident87.2Confident65 Ų6574.4 Ų74.440%0.39943%0.425SS..Hα-helixtrans-71-38.6176.7-50.50000110.7D355 N360 T361D355-T357 PolarHBondContact O-N 3.13Å; D355-T357 WeakPolarHBondContact OD1-CA 3.44Å; D355-T357 VanDerWaalsContact OD1-CB 3.23Å; D355-T357 WeakPolarHBondContact OD1-CB 3.31Å; D355-T357 PolarHBondContact OD1-N 3.36Å; T357-N360 PolarHBondContact O-N 3.48Å; T357-T361 WeakPolarHBondContact O-CB 3.49Å; T357-T361 WeakPolarHBondContact O-CG2 3.29Å; T357-T361 PolarHBondContact O-N 2.95Å; T357-T361 PolarHBondContact O-OG1 3.36Å
358L88.1Confident87.4Confident5 Ų571 Ų713%0.02639%0.394CS..Hα-helixtrans-64.5-41.8173.9-73.2178.7000112.1F338 R341 V342 V352 D355 T361 F362F338-L358 HydrophobicContact CD2-CD2 3.88Å; F338-L358 HydrophobicContact CE2-CD2 4.01Å; R341-L358 HydrophobicContact CB-CD2 3.52Å; R341-L358 HydrophobicContact CB-CG 4.35Å; R341-L358 HydrophobicContact CG-CD1 4.26Å; R341-L358 HydrophobicContact CG-CD2 3.33Å; R341-L358 HydrophobicContact CG-CG 3.62Å; V342-L358 HydrophobicContact CG2-CD1 4.16Å; V342-L358 HydrophobicContact CG2-CD2 3.63Å; V352-L358 HydrophobicContact CB-CD1 4.35Å; V352-L358 HydrophobicContact CG1-CD1 3.83Å; D355-L358 HydrophobicContact CB-CB 4.05Å; D355-L358 HydrophobicContact CB-CD1 3.87Å; D355-L358 HydrophobicContact CB-CG 3.98Å; D355-L358 PolarHBondContact O-N 3.49Å; D355-L358 VanDerWaalsContact O-N 3.14Å; D355-L358 PolarHBondContact OD1-N 2.9Å; D355-L358 VanDerWaalsContact OD1-N 3.17Å; L358-T361 VanDerWaalsContact CA-OG1 3.32Å; L358-T361 WeakPolarHBondContact CA-OG1 3.35Å; L358-T361 PolarHBondContact O-OG1 3.26Å; L358-T361 VanDerWaalsContact O-OG1 3.04Å; L358-F362 WeakPolarHBondContact O-CB 3.39Å; L358-F362 PolarHBondContact O-N 3.45Å
359Q88.1Confident87.7Confident96 Ų9670.7 Ų70.745%0.44940%0.397SS..Hα-helixtrans-62-46.4175.2-65.6178.7-100111.8I353 D355 T356 F362 L363I353-Q359 PolarHBondContact O-NE2 2.9Å; D355-Q359 PolarHBondContact O-N 2.91Å; D355-Q359 VanDerWaalsContact O-N 3.12Å; T356-Q359 PolarHBondContact O-N 2.92Å; Q359-F362 WeakPolarHBondContact O-CB 3.47Å; Q359-F362 PolarHBondContact O-N 3.24Å; Q359-L363 WeakPolarHBondContact O-CG 3.46Å; Q359-L363 PolarHBondContact O-N 2.97Å
360N91.3Very high88.2Confident104 Ų10470.3 Ų70.356%0.55638%0.383SS*.Hα-helixtrans-66.2-41.6179.8-71.8-21.4000112.6T356 T357 S364T356-N360 WeakPolarHBondContact O-CB 3.43Å; T356-N360 VanDerWaalsContact O-CG 3.23Å; T356-N360 PolarHBondContact O-N 3.47Å; T356-N360 PolarHBondContact O-ND2 3.36Å; T357-N360 PolarHBondContact O-N 3.48Å; N360-S364 WeakPolarHBondContact O-CB 3.28Å; N360-S364 PolarHBondContact O-N 3.18Å
361T91.4Very high88.8Confident13 Ų1367.7 Ų67.78%0.0838%0.377CS..Hα-helixtrans-66.2-38.8175.344.50000111.3T337 F338 T357 L358 S364 L365T337-T361 HydrophobicContact CG2-CG2 4.38Å; F338-T361 WeakPolarHBondContact CD2-OG1 3.42Å; T357-T361 WeakPolarHBondContact O-CB 3.49Å; T357-T361 WeakPolarHBondContact O-CG2 3.29Å; T357-T361 PolarHBondContact O-N 2.95Å; T357-T361 PolarHBondContact O-OG1 3.36Å; L358-T361 VanDerWaalsContact CA-OG1 3.32Å; L358-T361 WeakPolarHBondContact CA-OG1 3.35Å; L358-T361 PolarHBondContact O-OG1 3.26Å; L358-T361 VanDerWaalsContact O-OG1 3.04Å; T361-S364 PolarHBondContact O-N 3.01Å; T361-L365 WeakPolarHBondContact O-CB 3.24Å; T361-L365 VanDerWaalsContact O-CG 3.25Å; T361-L365 WeakPolarHBondContact O-CG 3.2Å; T361-L365 PolarHBondContact O-N 2.93Å
362F91.5Very high89.4Confident114 Ų11467.4 Ų67.450%0.537%0.37SS..Hα-helixtrans-60.1-51.9173.2178.4-99.7000112.4F338 L358 Q359 S364 L365 T366F338-F362 HydrophobicContact CE2-CB 3.95Å; F338-F362 HydrophobicContact CZ-CD2 4.34Å; L358-F362 WeakPolarHBondContact O-CB 3.39Å; L358-F362 PolarHBondContact O-N 3.45Å; Q359-F362 WeakPolarHBondContact O-CB 3.47Å; Q359-F362 PolarHBondContact O-N 3.24Å; F362-S364 VanDerWaalsContact C-N 3.27Å; F362-S364 PolarHBondContact O-N 3.15Å; F362-L365 WeakPolarHBondContact O-CB 3.48Å; F362-L365 PolarHBondContact O-N 2.93Å; F362-L365 VanDerWaalsContact O-N 3.09Å; F362-T366 PolarHBondContact O-N 3.04Å; F362-T366 PolarHBondContact O-OG1 3.48Å
363L92.2Very high90.1Very high113 Ų11369.3 Ų69.359%0.59238%0.378SS*.Hα-helixtrans-58.2-40.9178-69.7173.4000112Q359 T366 S367Q359-L363 WeakPolarHBondContact O-CG 3.46Å; Q359-L363 PolarHBondContact O-N 2.97Å; L363-T366 PolarHBondContact O-N 3.18Å; L363-S367 PolarHBondContact O-N 3.49Å
364S92.7Very high90.8Very high35 Ų3570.2 Ų70.225%0.24538%0.377CS..Hα-helixtrans-65.4-41175.6-179.60000112.3R334 N360 T361 F362 S367 M368R334-S364 WeakPolarHBondContact CD-OG 3.32Å; R334-S364 PolarHBondContact NE-OG 2.86Å; R334-S364 VanDerWaalsContact NE-OG 3.16Å; R334-S364 PolarHBondContact NH1-OG 3.45Å; N360-S364 WeakPolarHBondContact O-CB 3.28Å; N360-S364 PolarHBondContact O-N 3.18Å; T361-S364 PolarHBondContact O-N 3.01Å; F362-S364 VanDerWaalsContact C-N 3.27Å; F362-S364 PolarHBondContact O-N 3.15Å; S364-S367 WeakPolarHBondContact O-CB 3.49Å; S364-S367 PolarHBondContact O-N 3.45Å; S364-M368 WeakPolarHBondContact O-CG 3.26Å; S364-M368 PolarHBondContact O-N 3.24Å
365L93.9Very high91.2Very high19 Ų1967.8 Ų67.810%0.09936%0.358CS..Hα-helixtrans-63.8-41.2174-74.8170.8000112.2L331 R334 L335 F338 T361 F362 S367 M368 H369L331-L365 HydrophobicContact CD1-CD2 4Å; R334-L365 HydrophobicContact CB-CD2 4.17Å; R334-L365 HydrophobicContact CG-CD2 4.21Å; R334-L365 HydrophobicContact CG-CG 4.34Å; L335-L365 HydrophobicContact CB-CD2 4.39Å; L335-L365 HydrophobicContact CD2-CD1 3.91Å; L335-L365 HydrophobicContact CD2-CD2 3.53Å; L335-L365 HydrophobicContact CD2-CG 4.34Å; L335-L365 HydrophobicContact CG-CD2 3.57Å; F338-L365 HydrophobicContact CB-CD1 3.62Å; F338-L365 HydrophobicContact CD1-CD1 4.01Å; F338-L365 HydrophobicContact CD2-CD1 4.17Å; F338-L365 HydrophobicContact CG-CD1 3.67Å; T361-L365 WeakPolarHBondContact O-CB 3.24Å; T361-L365 VanDerWaalsContact O-CG 3.25Å; T361-L365 WeakPolarHBondContact O-CG 3.2Å; T361-L365 PolarHBondContact O-N 2.93Å; F362-L365 WeakPolarHBondContact O-CB 3.48Å; F362-L365 PolarHBondContact O-N 2.93Å; F362-L365 VanDerWaalsContact O-N 3.09Å; L365-S367 VanDerWaalsContact C-N 3.3Å; L365-S367 PolarHBondContact O-N 3.22Å; L365-M368 HydrophobicContact CD2-CE 3.73Å; L365-M368 PolarHBondContact O-N 3.14Å; L365-H369 WeakPolarHBondContact O-CB 3.27Å; L365-H369 PolarHBondContact O-N 2.71Å
366T92Very high91.5Very high65 Ų6571.5 Ų71.540%0.39938%0.377SS..Hα-helixtrans-61.8-40175.1-51.50000111.5F362 L363 S370F362-T366 PolarHBondContact O-N 3.04Å; F362-T366 PolarHBondContact O-OG1 3.48Å; L363-T366 PolarHBondContact O-N 3.18Å; T366-S370 PolarHBondContact O-N 3.47Å; T366-S370 PolarHBondContact O-OG 2.96Å; T366-S370 VanDerWaalsContact O-OG 3.05Å
367S93.2Very high91.7Very high62 Ų6272.2 Ų72.243%0.43437%0.374SS..Hα-helixtrans-64.6-46.5174.1-178.40000111.9L363 S364 L365 S370 Q371L363-S367 PolarHBondContact O-N 3.49Å; S364-S367 WeakPolarHBondContact O-CB 3.49Å; S364-S367 PolarHBondContact O-N 3.45Å; L365-S367 VanDerWaalsContact C-N 3.3Å; L365-S367 PolarHBondContact O-N 3.22Å; S367-S370 WeakPolarHBondContact O-CB 3.45Å; S367-S370 PolarHBondContact O-N 3.39Å; S367-Q371 PolarHBondContact O-N 3.36Å
368M94.1Very high91.8Very high19 Ų1973.2 Ų73.29%0.09438%0.375CS..Hα-helixtrans-67.8-34.9178.7-68.5-173.1-52.100112.2F327 L331 R334 S364 L365 S370 Q371 L372F327-M368 HydrophobicContact CE2-CB 4.28Å; F327-M368 HydrophobicContact CE2-CG 4.39Å; F327-M368 HydrophobicContact CZ-CB 4.32Å; F327-M368 WeakPolarHBondContact CZ-O 3.25Å; L331-M368 HydrophobicContact CB-CE 4.5Å; L331-M368 HydrophobicContact CD1-CB 3.98Å; L331-M368 HydrophobicContact CD1-CE 3.69Å; R334-M368 HydrophobicContact CB-CE 3.75Å; R334-M368 VanDerWaalsContact CD-CE 3.43Å; R334-M368 HydrophobicContact CG-CE 4.06Å; S364-M368 WeakPolarHBondContact O-CG 3.26Å; S364-M368 PolarHBondContact O-N 3.24Å; L365-M368 HydrophobicContact CD2-CE 3.73Å; L365-M368 PolarHBondContact O-N 3.14Å; M368-S370 VanDerWaalsContact C-N 3.25Å; M368-S370 PolarHBondContact O-N 3.49Å; M368-Q371 CarbonylContact O-C 3.58Å; M368-Q371 WeakPolarHBondContact O-CA 3.43Å; M368-Q371 WeakPolarHBondContact O-CB 3.46Å; M368-Q371 PolarHBondContact O-N 3.37Å; M368-L372 PolarHBondContact O-N 3.05Å
369H92.2Very high91.8Very high104 Ų10476.9 Ų76.948%0.48139%0.394SS..Hα-helixtrans-58.5-39.6172.8178.2-94.7000112L365 Q371 L372 L373L365-H369 WeakPolarHBondContact O-CB 3.27Å; L365-H369 PolarHBondContact O-N 2.71Å; H369-Q371 VanDerWaalsContact C-N 3.29Å; H369-Q371 PolarHBondContact O-N 3.33Å; H369-L372 PolarHBondContact O-N 2.82Å; H369-L373 PolarHBondContact O-N 3.36Å; H369-L373 VanDerWaalsContact O-N 3.07Å
370S92Very high92.1Very high62 Ų6274.9 Ų74.943%0.43439%0.386SS..Hα-helixtrans-65.2-32.8175.4-54.30000112.5T366 S367 M368 K374T366-S370 PolarHBondContact O-N 3.47Å; T366-S370 PolarHBondContact O-OG 2.96Å; T366-S370 VanDerWaalsContact O-OG 3.05Å; S367-S370 WeakPolarHBondContact O-CB 3.45Å; S367-S370 PolarHBondContact O-N 3.39Å; M368-S370 VanDerWaalsContact C-N 3.25Å; M368-S370 PolarHBondContact O-N 3.49Å; S370-K374 WeakPolarHBondContact O-CG 3.48Å
371Q92.3Very high92.2Very high84 Ų8474.6 Ų74.639%0.39339%0.385SS..Hα-helixtrans-74.3-39.4173.9-65.4174.311.600111.6F327 S367 M368 H369 L373 K374 H375F327-Q371 HydrophobicContact CE2-CB 3.84Å; F327-Q371 HydrophobicContact CZ-CB 3.86Å; S367-Q371 PolarHBondContact O-N 3.36Å; M368-Q371 CarbonylContact O-C 3.58Å; M368-Q371 WeakPolarHBondContact O-CA 3.43Å; M368-Q371 WeakPolarHBondContact O-CB 3.46Å; M368-Q371 PolarHBondContact O-N 3.37Å; H369-Q371 VanDerWaalsContact C-N 3.29Å; H369-Q371 PolarHBondContact O-N 3.33Å; Q371-L373 VanDerWaalsContact C-N 3.35Å; Q371-L373 PolarHBondContact O-N 3.3Å; Q371-K374 WeakPolarHBondContact O-CB 3.34Å; Q371-K374 PolarHBondContact O-N 3.01Å; Q371-K374 VanDerWaalsContact O-N 3.08Å; Q371-H375 PolarHBondContact O-CD2 3.43Å; Q371-H375 VanDerWaalsContact O-CD2 3.31Å; Q371-H375 PolarHBondContact O-N 2.92Å
372L92.8Very high92.1Very high55 Ų5577.8 Ų77.829%0.28840%0.395SS..Hα-helixtrans-58.7-44.3175.9177.965.4000111.8F327 M328 L331 M368 H369 K374 H375 L376F327-L372 HydrophobicContact CE1-CB 4.02Å; F327-L372 HydrophobicContact CE1-CD1 4.1Å; F327-L372 HydrophobicContact CZ-CB 4.17Å; M328-L372 HydrophobicContact SD-CD1 3.84Å; L331-L372 HydrophobicContact CD2-CD2 4Å; M368-L372 PolarHBondContact O-N 3.05Å; H369-L372 PolarHBondContact O-N 2.82Å; L372-K374 VanDerWaalsContact C-N 3.25Å; L372-K374 PolarHBondContact O-N 3.44Å; L372-H375 PolarHBondContact O-N 3.41Å; L372-L376 WeakPolarHBondContact O-CB 3.35Å; L372-L376 PolarHBondContact O-N 2.99Å
373L92.9Very high92.1Very high96 Ų9678.6 Ų78.650%0.50340%0.395SS..Hα-helixtrans-60.5-35.6175.9-72.2175.6000112.4H369 Q371 Q377H369-L373 PolarHBondContact O-N 3.36Å; H369-L373 VanDerWaalsContact O-N 3.07Å; Q371-L373 VanDerWaalsContact C-N 3.35Å; Q371-L373 PolarHBondContact O-N 3.3Å; L373-Q377 PolarHBondContact O-N 3.3Å; L373-Q377 VanDerWaalsContact O-N 3.15Å
374K92Very high92.2Very high152 Ų15274.5 Ų74.566%0.66138%0.38SS*.Hα-helixtrans-68.8-45.7175.5-67.8177.1-179.8-175.20111.6S370 Q371 L372 L376 Q377 E378S370-K374 WeakPolarHBondContact O-CG 3.48Å; Q371-K374 WeakPolarHBondContact O-CB 3.34Å; Q371-K374 PolarHBondContact O-N 3.01Å; Q371-K374 VanDerWaalsContact O-N 3.08Å; L372-K374 VanDerWaalsContact C-N 3.25Å; L372-K374 PolarHBondContact O-N 3.44Å; K374-L376 VanDerWaalsContact C-N 3.29Å; K374-L376 PolarHBondContact O-N 2.93Å; K374-Q377 PolarHBondContact O-N 3.25Å; K374-E378 PolarHBondContact O-N 2.99Å
375H91Very high92.2Very high54 Ų5479.6 Ų79.625%0.2540%0.395CS..Hα-helixtrans-62-38176-74-55.7000112.1L324 F327 Q371 L372 E378 L379L324-H375 HydrophobicContact CD1-CB 3.88Å; F327-H375 AromaticContact CD1-CD2 3.98Å; Q371-H375 PolarHBondContact O-CD2 3.43Å; Q371-H375 VanDerWaalsContact O-CD2 3.31Å; Q371-H375 PolarHBondContact O-N 2.92Å; L372-H375 PolarHBondContact O-N 3.41Å; H375-E378 PolarHBondContact O-N 3.18Å; H375-L379 VanDerWaalsContact O-CG 3.31Å; H375-L379 WeakPolarHBondContact O-CG 3.34Å; H375-L379 PolarHBondContact O-N 2.91Å
376L92Very high92.1Very high94 Ų9483.2 Ų83.249%0.49241%0.41SS..Hα-helixtrans-61.5-47.2175.7-171.170000111.6L372 K374 E378 L379 D380L372-L376 WeakPolarHBondContact O-CB 3.35Å; L372-L376 PolarHBondContact O-N 2.99Å; K374-L376 VanDerWaalsContact C-N 3.29Å; K374-L376 PolarHBondContact O-N 2.93Å; L376-E378 VanDerWaalsContact C-N 3.35Å; L376-E378 PolarHBondContact O-N 3.26Å; L376-L379 PolarHBondContact O-N 3.4Å; L376-D380 PolarHBondContact O-N 3.36Å
377Q91.9Very high92.2Very high105 Ų10585 Ų8549%0.49141%0.414SS..Hα-helixtrans-60.6-44.1175.7-176.463.644.500111.6L373 K374 L379 D380 D381L373-Q377 PolarHBondContact O-N 3.3Å; L373-Q377 VanDerWaalsContact O-N 3.15Å; K374-Q377 PolarHBondContact O-N 3.25Å; Q377-L379 VanDerWaalsContact C-N 3.32Å; Q377-L379 PolarHBondContact O-N 3.4Å; Q377-D380 PolarHBondContact O-N 3.37Å; Q377-D381 PolarHBondContact NE2-OD1 3.23Å; Q377-D381 VanDerWaalsContact O-CG 3.22Å; Q377-D381 PolarHBondContact O-N 2.87Å
378E89.9Confident92.2Very high86 Ų8685.2 Ų85.240%0.40241%0.413SS..Hα-helixtrans-63-38.7179.2-170.9-179.6171.800112.1K374 H375 L376 D381 R382K374-E378 PolarHBondContact O-N 2.99Å; H375-E378 PolarHBondContact O-N 3.18Å; L376-E378 VanDerWaalsContact C-N 3.35Å; L376-E378 PolarHBondContact O-N 3.26Å; E378-D381 PolarHBondContact O-N 3.27Å; E378-R382 WeakPolarHBondContact O-CB 3.48Å; E378-R382 VanDerWaalsContact O-CG 3.3Å; E378-R382 WeakPolarHBondContact O-CG 3.38Å; E378-R382 PolarHBondContact O-N 2.81Å; E378-R382 IonicContact OE1-CZ 3.45Å; E378-R382 IonicContact OE1-NE 3.42Å; E378-R382 PolarHBondContact OE1-NE 2.89Å; E378-R382 IonicContact OE1-NH2 2.77Å; E378-R382 PolarHBondContact OE1-NH2 3.29Å
379L89.1Confident92.2Very high82 Ų8287.7 Ų87.743%0.42943%0.426SS..Hα-helixtrans-66.9-39.7174.3-71.3174.1000112.3L324 H375 L376 Q377 R382 R383L324-L379 HydrophobicContact CD2-CD1 3.79Å; L324-L379 HydrophobicContact CD2-CD2 4.2Å; L324-L379 HydrophobicContact CD2-CG 4.41Å; H375-L379 VanDerWaalsContact O-CG 3.31Å; H375-L379 WeakPolarHBondContact O-CG 3.34Å; H375-L379 PolarHBondContact O-N 2.91Å; L376-L379 PolarHBondContact O-N 3.4Å; Q377-L379 VanDerWaalsContact C-N 3.32Å; Q377-L379 PolarHBondContact O-N 3.4Å; L379-R382 PolarHBondContact O-N 2.9Å; L379-R383 WeakPolarHBondContact O-CB 3.35Å; L379-R383 PolarHBondContact O-N 3.14Å
380D93.7Very high92.2Very high55 Ų5589 Ų8929%0.29443%0.432SS..Hα-helixtrans-63.3-42.8175.2-78.3-24.7000111.3L376 Q377 R383 G384L376-D380 PolarHBondContact O-N 3.36Å; Q377-D380 PolarHBondContact O-N 3.37Å; D380-R383 PolarHBondContact O-N 3.25Å; D380-R383 IonicContact OD1-CZ 3.11Å; D380-R383 IonicContact OD1-NH1 2.69Å; D380-R383 PolarHBondContact OD1-NH1 3.45Å; D380-R383 IonicContact OD1-NH2 3.3Å; D380-R383 PolarHBondContact OD1-NH2 3.05Å; D380-G384 PolarHBondContact O-N 3.06Å
381D93.2Very high92.4Very high97 Ų9791.4 Ų91.452%0.51944%0.44SS..Hα-helixtrans-65.7-43.7176.9-65.9-21.1000111.4Q377 E378 G384 Y385Q377-D381 PolarHBondContact NE2-OD1 3.23Å; Q377-D381 VanDerWaalsContact O-CG 3.22Å; Q377-D381 PolarHBondContact O-N 2.87Å; E378-D381 PolarHBondContact O-N 3.27Å; D381-G384 PolarHBondContact O-N 3.05Å; D381-Y385 PolarHBondContact O-N 3.12Å
382R88.9Confident92.5Very high81 Ų8193.2 Ų93.231%0.30645%0.447SS..Hα-helixtrans-62.4-41.2174.7-76.3-178.6-171.3-155.64.3111.7S320 E378 L379 Y385 F386S320-R382 PolarHBondContact OG-NH1 3.19Å; S320-R382 VanDerWaalsContact OG-NH1 3.08Å; S320-R382 PolarHBondContact OG-NH2 3.03Å; E378-R382 WeakPolarHBondContact O-CB 3.48Å; E378-R382 VanDerWaalsContact O-CG 3.3Å; E378-R382 WeakPolarHBondContact O-CG 3.38Å; E378-R382 PolarHBondContact O-N 2.81Å; E378-R382 IonicContact OE1-CZ 3.45Å; E378-R382 IonicContact OE1-NE 3.42Å; E378-R382 PolarHBondContact OE1-NE 2.89Å; E378-R382 IonicContact OE1-NH2 2.77Å; E378-R382 PolarHBondContact OE1-NH2 3.29Å; L379-R382 PolarHBondContact O-N 2.9Å; R382-Y385 WeakPolarHBondContact O-CB 3.07Å; R382-Y385 PolarHBondContact O-N 3.1Å; R382-F386 HydrophobicContact CB-CE2 4.41Å; R382-F386 WeakPolarHBondContact O-CD2 3.49Å; R382-F386 PolarHBondContact O-N 3.16Å
383R92.8Very high92.6Very high130 Ų13095 Ų9549%0.49146%0.459SS..Hα-helixtrans-59.4-49.4174.8-178.4-178.163.8-117.8-6.7110.5L379 D380 Y385 F386 E387L379-R383 WeakPolarHBondContact O-CB 3.35Å; L379-R383 PolarHBondContact O-N 3.14Å; D380-R383 PolarHBondContact O-N 3.25Å; D380-R383 IonicContact OD1-CZ 3.11Å; D380-R383 IonicContact OD1-NH1 2.69Å; D380-R383 PolarHBondContact OD1-NH1 3.45Å; D380-R383 IonicContact OD1-NH2 3.3Å; D380-R383 PolarHBondContact OD1-NH2 3.05Å; R383-Y385 VanDerWaalsContact C-N 3.28Å; R383-Y385 PolarHBondContact O-N 2.75Å; R383-F386 PolarHBondContact O-N 2.99Å; R383-F386 VanDerWaalsContact O-N 3.14Å; R383-E387 HydrophobicContact CG-CG 4.49Å; R383-E387 IonicContact NE-OE1 2.73Å; R383-E387 WeakPolarHBondContact O-CG 3.29Å; R383-E387 PolarHBondContact O-N 2.87Å
384G93.9Very high92.7Very high27 Ų2792.6 Ų92.628%0.27845%0.449SS..Hα-helixtrans-58.4-40.2176.800000112.5D380 D381 E387 T388D380-G384 PolarHBondContact O-N 3.06Å; D381-G384 PolarHBondContact O-N 3.05Å; G384-E387 PolarHBondContact O-N 3.08Å; G384-T388 WeakPolarHBondContact O-CG2 3.48Å; G384-T388 PolarHBondContact O-N 3.26Å; G384-T388 VanDerWaalsContact O-N 3.09Å
385Y92.1Very high92.8Very high143 Ų14392 Ų9256%0.56145%0.449SS*.Hα-helixtrans-59.6-48.8173.5174.7-100.5000112.3D381 R382 R383 E387 T388 L389D381-Y385 PolarHBondContact O-N 3.12Å; R382-Y385 WeakPolarHBondContact O-CB 3.07Å; R382-Y385 PolarHBondContact O-N 3.1Å; R383-Y385 VanDerWaalsContact C-N 3.28Å; R383-Y385 PolarHBondContact O-N 2.75Å; Y385-E387 PolarHBondContact O-N 2.84Å; Y385-T388 PolarHBondContact O-N 3.3Å; Y385-T388 PolarHBondContact O-OG1 3.27Å; Y385-L389 HydrophobicContact CE1-CD2 4.46Å; Y385-L389 PolarHBondContact O-N 3.09Å
386F91.5Very high93Very high95 Ų9594.3 Ų94.342%0.41747%0.466SS..Hα-helixtrans-66.7-34179.2-70.8-57.4000113.4L317 R382 R383 L389 Q390L317-F386 HydrophobicContact CD1-CE2 4.17Å; L317-F386 HydrophobicContact CD1-CZ 3.71Å; R382-F386 HydrophobicContact CB-CE2 4.41Å; R382-F386 WeakPolarHBondContact O-CD2 3.49Å; R382-F386 PolarHBondContact O-N 3.16Å; R383-F386 PolarHBondContact O-N 2.99Å; R383-F386 VanDerWaalsContact O-N 3.14Å; F386-L389 HydrophobicContact CD1-CD2 4.42Å; F386-L389 PolarHBondContact O-N 2.95Å; F386-Q390 WeakPolarHBondContact O-CB 3.46Å; F386-Q390 PolarHBondContact O-N 3.26Å
387E94.6Very high93.1Very high102 Ų10297 Ų9748%0.47747%0.47SS..Hα-helixtrans-59.9-48.6171.8-73.7172.1178.200110.7R383 G384 Y385 L389 Q390 D391R383-E387 HydrophobicContact CG-CG 4.49Å; R383-E387 IonicContact NE-OE1 2.73Å; R383-E387 WeakPolarHBondContact O-CG 3.29Å; R383-E387 PolarHBondContact O-N 2.87Å; G384-E387 PolarHBondContact O-N 3.08Å; Y385-E387 PolarHBondContact O-N 2.84Å; E387-L389 VanDerWaalsContact C-N 3.26Å; E387-L389 PolarHBondContact O-N 3.44Å; E387-Q390 PolarHBondContact O-N 3.32Å; E387-Q390 VanDerWaalsContact O-N 3.16Å; E387-D391 PolarHBondContact O-N 3.06Å
388T93.6Very high93.3Very high67 Ų6795.7 Ų95.741%0.41147%0.466SS..Hα-helixtrans-64-32.4176.867.50000112.9G384 Y385 K392G384-T388 WeakPolarHBondContact O-CG2 3.48Å; G384-T388 PolarHBondContact O-N 3.26Å; G384-T388 VanDerWaalsContact O-N 3.09Å; Y385-T388 PolarHBondContact O-N 3.3Å; Y385-T388 PolarHBondContact O-OG1 3.27Å; T388-K392 VanDerWaalsContact O-CG 3.29Å; T388-K392 WeakPolarHBondContact O-CG 3.2Å; T388-K392 PolarHBondContact O-N 3.04Å
389L93.4Very high93.6Very high70 Ų7094.1 Ų94.137%0.36647%0.468SS..Hα-helixtrans-70.7-40.3175.9-173.362000111Y385 F386 E387 K392 V393Y385-L389 HydrophobicContact CE1-CD2 4.46Å; Y385-L389 PolarHBondContact O-N 3.09Å; F386-L389 HydrophobicContact CD1-CD2 4.42Å; F386-L389 PolarHBondContact O-N 2.95Å; E387-L389 VanDerWaalsContact C-N 3.26Å; E387-L389 PolarHBondContact O-N 3.44Å; L389-K392 WeakPolarHBondContact O-CB 3.43Å; L389-K392 PolarHBondContact O-N 3.25Å; L389-V393 WeakPolarHBondContact O-CG2 3.42Å; L389-V393 PolarHBondContact O-N 3.32Å
390Q93.5Very high93.9Very high133 Ų13398.2 Ų98.262%0.62148%0.478SS*.Hα-helixtrans-64-39.5175.9-176.9175.5-17.200112F386 E387 V393 T394F386-Q390 WeakPolarHBondContact O-CB 3.46Å; F386-Q390 PolarHBondContact O-N 3.26Å; E387-Q390 PolarHBondContact O-N 3.32Å; E387-Q390 VanDerWaalsContact O-N 3.16Å; Q390-V393 PolarHBondContact O-N 2.92Å; Q390-T394 WeakPolarHBondContact O-CB 3.4Å; Q390-T394 PolarHBondContact O-N 3.28Å; Q390-T394 PolarHBondContact O-OG1 3.35Å
391D95.4Very high93.9Very high112 Ų112101.7 Ų101.760%0.59949%0.492SS*.Hα-helixtrans-60.7-44.8173-71.8-21.8000111.3E387 T394 Q395E387-D391 PolarHBondContact O-N 3.06Å; D391-T394 WeakPolarHBondContact O-CB 3.34Å; D391-T394 PolarHBondContact O-N 3Å; D391-Q395 PolarHBondContact O-N 3.44Å
392K94.7Very high94.1Very high122 Ų12299.5 Ų99.553%0.5349%0.488SS..Hα-helixtrans-62.1-44.3175.9-71.4170.1-175.2176.70112.1T388 L389 T394 Q395 V396T388-K392 VanDerWaalsContact O-CG 3.29Å; T388-K392 WeakPolarHBondContact O-CG 3.2Å; T388-K392 PolarHBondContact O-N 3.04Å; L389-K392 WeakPolarHBondContact O-CB 3.43Å; L389-K392 PolarHBondContact O-N 3.25Å; K392-T394 VanDerWaalsContact C-N 3.29Å; K392-T394 PolarHBondContact O-N 3.06Å; K392-Q395 PolarHBondContact O-N 3.42Å; K392-V396 WeakPolarHBondContact O-CG2 3.39Å; K392-V396 PolarHBondContact O-N 3.14Å
393V94.5Very high94.3Very high91 Ų9198.9 Ų98.955%0.55249%0.493SS*.Hα-helixtrans-62.6-39.9176.9171.40000110.9L389 Q390 V396 R397L389-V393 WeakPolarHBondContact O-CG2 3.42Å; L389-V393 PolarHBondContact O-N 3.32Å; Q390-V393 PolarHBondContact O-N 2.92Å; V393-V396 PolarHBondContact O-N 3.47Å; V393-R397 PolarHBondContact O-N 2.92Å
394T94Very high94.3Very high47 Ų4797.1 Ų97.129%0.28849%0.49SS..Hα-helixtrans-62.5-47.4175-57.20000110.9Q390 D391 K392 V396 R397 D398Q390-T394 WeakPolarHBondContact O-CB 3.4Å; Q390-T394 PolarHBondContact O-N 3.28Å; Q390-T394 PolarHBondContact O-OG1 3.35Å; D391-T394 WeakPolarHBondContact O-CB 3.34Å; D391-T394 PolarHBondContact O-N 3Å; K392-T394 VanDerWaalsContact C-N 3.29Å; K392-T394 PolarHBondContact O-N 3.06Å; T394-V396 VanDerWaalsContact C-N 3.32Å; T394-V396 PolarHBondContact O-N 2.98Å; T394-R397 WeakPolarHBondContact O-CB 3.48Å; T394-R397 PolarHBondContact O-N 3.47Å; T394-R397 VanDerWaalsContact O-N 3.15Å; T394-D398 PolarHBondContact O-N 2.93Å
395Q95.5Very high94.4Very high140 Ų14098.5 Ų98.565%0.65450%0.499SS*.Hα-helixtrans-58.9-40.9176.1-174.8178.943.100112.6D391 K392 D398 A399D391-Q395 PolarHBondContact O-N 3.44Å; K392-Q395 PolarHBondContact O-N 3.42Å; Q395-D398 PolarHBondContact O-N 2.99Å; Q395-A399 VanDerWaalsContact O-CB 3.27Å; Q395-A399 WeakPolarHBondContact O-CB 3.48Å; Q395-A399 PolarHBondContact O-N 3.37Å
396V94.9Very high94.6Very high102 Ų10297 Ų9762%0.61850%0.5SS*.Hα-helixtrans-64.4-42176.7169.90000111.2K392 V393 T394 A399 R400K392-V396 WeakPolarHBondContact O-CG2 3.39Å; K392-V396 PolarHBondContact O-N 3.14Å; V393-V396 PolarHBondContact O-N 3.47Å; T394-V396 VanDerWaalsContact C-N 3.32Å; T394-V396 PolarHBondContact O-N 2.98Å; V396-A399 PolarHBondContact O-N 3.29Å; V396-R400 WeakPolarHBondContact O-CB 3.41Å; V396-R400 PolarHBondContact O-N 3.38Å
397R94.8Very high94.7Very high151 Ų151100.2 Ų100.257%0.5751%0.509SS*.Hα-helixtrans-62.3-47.3175.9-175.3-169.366.3-167.8-3111.4V393 T394 A399 R400 E401V393-R397 PolarHBondContact O-N 2.92Å; T394-R397 WeakPolarHBondContact O-CB 3.48Å; T394-R397 PolarHBondContact O-N 3.47Å; T394-R397 VanDerWaalsContact O-N 3.15Å; R397-A399 VanDerWaalsContact C-N 3.33Å; R397-A399 PolarHBondContact O-N 2.98Å; R397-R400 WeakPolarHBondContact O-CB 3.39Å; R397-R400 PolarHBondContact O-N 3.1Å; R397-E401 PolarHBondContact O-N 2.9Å
398D95.6Very high94.7Very high76 Ų7699.8 Ų99.841%0.40651%0.51SS..Hα-helixtrans-66.1-38-178.8-61.4-5.3000111T394 Q395 E401 A402T394-D398 PolarHBondContact O-N 2.93Å; Q395-D398 PolarHBondContact O-N 2.99Å; D398-E401 PolarHBondContact O-N 2.9Å; D398-A402 WeakPolarHBondContact O-CB 3.33Å; D398-A402 PolarHBondContact O-N 2.91Å
399A96.1Very high94.7Very high53 Ų53102.6 Ų102.644%0.43852%0.518SS..Hα-helixtrans-63.9-39.3173.100000112.2Q395 V396 R397 A402 V403Q395-A399 VanDerWaalsContact O-CB 3.27Å; Q395-A399 WeakPolarHBondContact O-CB 3.48Å; Q395-A399 PolarHBondContact O-N 3.37Å; V396-A399 PolarHBondContact O-N 3.29Å; R397-A399 VanDerWaalsContact C-N 3.33Å; R397-A399 PolarHBondContact O-N 2.98Å; A399-A402 PolarHBondContact O-N 3.44Å; A399-V403 WeakPolarHBondContact O-CG2 3.37Å; A399-V403 PolarHBondContact O-N 3.36Å
400R94.3Very high94.7Very high169 Ų169104.1 Ų104.164%0.63852%0.523SS*.Hα-helixtrans-64-47.3175.2178.5179.9172170.50.8111.5V396 R397 A402 V403 E404V396-R400 WeakPolarHBondContact O-CB 3.41Å; V396-R400 PolarHBondContact O-N 3.38Å; R397-R400 WeakPolarHBondContact O-CB 3.39Å; R397-R400 PolarHBondContact O-N 3.1Å; R400-A402 VanDerWaalsContact C-N 3.28Å; R400-A402 PolarHBondContact O-N 2.97Å; R400-V403 PolarHBondContact O-N 2.87Å; R400-V403 VanDerWaalsContact O-N 3.15Å; R400-E404 IonicContact CZ-OE1 3.45Å; R400-E404 IonicContact NE-OE1 2.82Å; R400-E404 PolarHBondContact NE-OE1 3.24Å; R400-E404 IonicContact NH2-OE1 3.47Å; R400-E404 PolarHBondContact NH2-OE1 3.25Å; R400-E404 WeakPolarHBondContact O-CG 3.24Å; R400-E404 PolarHBondContact O-N 2.73Å
401E94.3Very high94.8Very high127 Ų127103 Ų10359%0.59352%0.518SS*.Hα-helixtrans-59.6-40.7176.8-173.9175.1176.700111.2R397 D398 V403 E404 A405R397-E401 PolarHBondContact O-N 2.9Å; D398-E401 PolarHBondContact O-N 2.9Å; E401-V403 PolarHBondContact O-N 2.99Å; E401-E404 PolarHBondContact O-N 2.69Å; E401-A405 WeakPolarHBondContact O-CB 3.45Å; E401-A405 PolarHBondContact O-N 3.08Å
402A97.4Very high94.7Very high52 Ų52102.9 Ų102.943%0.4351%0.514SS..Hα-helixtrans-62.5-41.2174.400000112.9D398 A399 R400 A405 L406D398-A402 WeakPolarHBondContact O-CB 3.33Å; D398-A402 PolarHBondContact O-N 2.91Å; A399-A402 PolarHBondContact O-N 3.44Å; R400-A402 VanDerWaalsContact C-N 3.28Å; R400-A402 PolarHBondContact O-N 2.97Å; A402-A405 PolarHBondContact O-N 3.47Å; A402-L406 WeakPolarHBondContact O-CG 3.49Å; A402-L406 PolarHBondContact O-N 3.31Å
403V92.9Very high94.7Very high67 Ų67103.1 Ų103.141%0.40652%0.515SS..Hα-helixtrans-66.2-41175.8170.10000111.4A399 R400 E401 L406 R407A399-V403 WeakPolarHBondContact O-CG2 3.37Å; A399-V403 PolarHBondContact O-N 3.36Å; R400-V403 PolarHBondContact O-N 2.87Å; R400-V403 VanDerWaalsContact O-N 3.15Å; E401-V403 PolarHBondContact O-N 2.99Å; V403-L406 PolarHBondContact O-N 2.78Å; V403-R407 WeakPolarHBondContact O-CG 3.24Å; V403-R407 PolarHBondContact O-N 3.03Å
404E92.4Very high94.5Very high93 Ų93103.8 Ų103.844%0.43551%0.511SS..Hα-helixtrans-63.2-41.4176-72.3174.4-173.400111.1R400 E401 R407 L408R400-E404 IonicContact CZ-OE1 3.45Å; R400-E404 IonicContact NE-OE1 2.82Å; R400-E404 PolarHBondContact NE-OE1 3.24Å; R400-E404 IonicContact NH2-OE1 3.47Å; R400-E404 PolarHBondContact NH2-OE1 3.25Å; R400-E404 WeakPolarHBondContact O-CG 3.24Å; R400-E404 PolarHBondContact O-N 2.73Å; E401-E404 PolarHBondContact O-N 2.69Å; E404-R407 PolarHBondContact O-N 3.15Å; E404-L408 PolarHBondContact O-N 3.31Å; E404-L408 VanDerWaalsContact O-N 3.08Å
405A96.2Very high94.5Very high56 Ų56107.5 Ų107.546%0.46353%0.525SS..Hα-helixtrans-61.5-4417400000112.7E401 A402 R407 L408 E409E401-A405 WeakPolarHBondContact O-CB 3.45Å; E401-A405 PolarHBondContact O-N 3.08Å; A402-A405 PolarHBondContact O-N 3.47Å; A405-R407 VanDerWaalsContact C-N 3.33Å; A405-R407 PolarHBondContact O-N 3.09Å; A405-L408 PolarHBondContact O-N 3.11Å; A405-E409 PolarHBondContact O-N 3.4Å
406L96.4Very high94.3Very high111 Ų111103.1 Ų103.158%0.58151%0.512SS*.Hα-helixtrans-64.4-36.1177.2-72.6173.7000112.7A402 V403 H410A402-L406 WeakPolarHBondContact O-CG 3.49Å; A402-L406 PolarHBondContact O-N 3.31Å; V403-L406 PolarHBondContact O-N 2.78Å; L406-H410 WeakPolarHBondContact O-CB 3.41Å; L406-H410 PolarHBondContact O-N 2.96Å
407R93.5Very high94.2Very high163 Ų163103.2 Ų103.262%0.61551%0.506SS*.Hα-helixtrans-64.6-45.9175.2-74.9176.3179.1168.7-0.2111.1V403 E404 A405 H410 E411V403-R407 WeakPolarHBondContact O-CG 3.24Å; V403-R407 PolarHBondContact O-N 3.03Å; E404-R407 PolarHBondContact O-N 3.15Å; A405-R407 VanDerWaalsContact C-N 3.33Å; A405-R407 PolarHBondContact O-N 3.09Å; R407-H410 PolarHBondContact O-N 3.48Å; R407-E411 WeakPolarHBondContact O-CG 3.43Å; R407-E411 PolarHBondContact O-N 2.9Å
408L94.3Very high93.9Very high94 Ų94101.6 Ų101.649%0.49251%0.505SS..Hα-helixtrans-62.8-43.4177.8-174.567.4000111.8E404 A405 H410 E411 Q412E404-L408 PolarHBondContact O-N 3.31Å; E404-L408 VanDerWaalsContact O-N 3.08Å; A405-L408 PolarHBondContact O-N 3.11Å; L408-H410 VanDerWaalsContact C-N 3.32Å; L408-H410 PolarHBondContact O-N 3.34Å; L408-E411 PolarHBondContact O-N 3.42Å; L408-Q412 WeakPolarHBondContact O-CB 3.37Å; L408-Q412 VanDerWaalsContact O-CG 3.28Å; L408-Q412 WeakPolarHBondContact O-CG 3.4Å; L408-Q412 PolarHBondContact O-N 3.43Å
409E95.1Very high93.8Very high125 Ų125105.6 Ų105.658%0.58452%0.515SS*.Hα-helixtrans-60.7-42.1175.9-174.7-174.7168.800111.5A405 Q412 K413A405-E409 PolarHBondContact O-N 3.4Å; E409-Q412 PolarHBondContact O-N 3.48Å; E409-K413 WeakPolarHBondContact O-CB 3.41Å; E409-K413 PolarHBondContact O-N 3.3Å
410H93.5Very high93.4Very high103 Ų103109.1 Ų109.148%0.47752%0.523SS..Hα-helixtrans-67.2-38.9178.6176.4-107.3000112.8L406 R407 L408 K413 K414L406-H410 WeakPolarHBondContact O-CB 3.41Å; L406-H410 PolarHBondContact O-N 2.96Å; R407-H410 PolarHBondContact O-N 3.48Å; L408-H410 VanDerWaalsContact C-N 3.32Å; L408-H410 PolarHBondContact O-N 3.34Å; H410-K413 PolarHBondContact O-N 2.77Å; H410-K414 WeakPolarHBondContact CE1-CE 3.37Å; H410-K414 PolarHBondContact CE1-NZ 2.97Å; H410-K414 WeakPolarHBondContact O-CG 3.4Å; H410-K414 PolarHBondContact O-N 3.44Å
411E94.2Very high93.4Very high110 Ų110105.3 Ų105.351%0.51452%0.515SS..Hα-helixtrans-63.6-48.5173-75.2170.5-171.600111.3R407 L408 K413 K414 E415R407-E411 WeakPolarHBondContact O-CG 3.43Å; R407-E411 PolarHBondContact O-N 2.9Å; L408-E411 PolarHBondContact O-N 3.42Å; E411-K413 VanDerWaalsContact C-N 3.27Å; E411-K413 PolarHBondContact O-N 3.42Å; E411-K414 WeakPolarHBondContact O-CB 3.08Å; E411-K414 PolarHBondContact O-N 3.08Å; E411-K414 VanDerWaalsContact O-N 3.09Å; E411-E415 WeakPolarHBondContact O-CG 3.45Å; E411-E415 PolarHBondContact O-N 3.21Å
412Q94.7Very high93.2Very high109 Ų109104.5 Ų104.551%0.50951%0.511SS..Hα-helixtrans-58-39.6175.4-73174.53.900112.3L408 E409 E415 A416L408-Q412 WeakPolarHBondContact O-CB 3.37Å; L408-Q412 VanDerWaalsContact O-CG 3.28Å; L408-Q412 WeakPolarHBondContact O-CG 3.4Å; L408-Q412 PolarHBondContact O-N 3.43Å; E409-Q412 PolarHBondContact O-N 3.48Å; Q412-E415 PolarHBondContact O-N 3.43Å; Q412-A416 WeakPolarHBondContact O-CB 3.5Å; Q412-A416 PolarHBondContact O-N 2.73Å
413K94.1Very high93Very high126 Ų126108.9 Ų108.955%0.54852%0.516SS..Hα-helixtrans-64.3-43.6176.1-176.1176.8177.7-1790111.7E409 H410 E411 A416 E417E409-K413 WeakPolarHBondContact O-CB 3.41Å; E409-K413 PolarHBondContact O-N 3.3Å; H410-K413 PolarHBondContact O-N 2.77Å; E411-K413 VanDerWaalsContact C-N 3.27Å; E411-K413 PolarHBondContact O-N 3.42Å; K413-A416 PolarHBondContact O-N 3.47Å; K413-E417 WeakPolarHBondContact CE-OE1 3.3Å; K413-E417 WeakPolarHBondContact O-CB 3.49Å; K413-E417 VanDerWaalsContact O-CG 3.32Å; K413-E417 WeakPolarHBondContact O-CG 3.44Å; K413-E417 PolarHBondContact O-N 3.03Å
414K91.3Very high93.1Very high106 Ų106110.4 Ų110.446%0.46152%0.52SS..Hα-helixtrans-61.9-43.9175.7-78.4179.3167.6-177.30111.9H410 E411 E417 Q418H410-K414 WeakPolarHBondContact CE1-CE 3.37Å; H410-K414 PolarHBondContact CE1-NZ 2.97Å; H410-K414 WeakPolarHBondContact O-CG 3.4Å; H410-K414 PolarHBondContact O-N 3.44Å; E411-K414 WeakPolarHBondContact O-CB 3.08Å; E411-K414 PolarHBondContact O-N 3.08Å; E411-K414 VanDerWaalsContact O-N 3.09Å; K414-E417 PolarHBondContact O-N 3.35Å; K414-Q418 WeakPolarHBondContact O-CB 3.44Å; K414-Q418 VanDerWaalsContact O-CG 3.3Å; K414-Q418 WeakPolarHBondContact O-CG 3.31Å; K414-Q418 PolarHBondContact O-N 3.32Å
415E92.2Very high93Very high125 Ų125113.3 Ų113.358%0.58453%0.527SS*.Hα-helixtrans-61.6-43.9175.9-71.8177.7179.900111.5E411 Q412 Q418 Y419E411-E415 WeakPolarHBondContact O-CG 3.45Å; E411-E415 PolarHBondContact O-N 3.21Å; Q412-E415 PolarHBondContact O-N 3.43Å; E415-Q418 PolarHBondContact O-N 2.95Å; E415-Y419 VanDerWaalsContact O-CB 3.32Å; E415-Y419 WeakPolarHBondContact O-CB 3.38Å; E415-Y419 PolarHBondContact O-N 3.24Å
416A93Very high92.8Very high48 Ų48116.5 Ų116.540%0.39753%0.532SS..Hα-helixtrans-61.2-45.4175.800000111.9Q412 K413 Q418 Y419 E420Q412-A416 WeakPolarHBondContact O-CB 3.5Å; Q412-A416 PolarHBondContact O-N 2.73Å; K413-A416 PolarHBondContact O-N 3.47Å; A416-Q418 PolarHBondContact O-N 3.4Å; A416-Y419 PolarHBondContact O-N 2.93Å; A416-E420 WeakPolarHBondContact O-CB 3.4Å; A416-E420 WeakPolarHBondContact O-CG 3.4Å; A416-E420 PolarHBondContact O-N 3.45Å
417E92.8Very high92.6Very high104 Ų104114.4 Ų114.449%0.48652%0.521SS..Hα-helixtrans-61.6-41.8175.9-74173.4-175.400112K413 K414 E420 L421K413-E417 WeakPolarHBondContact CE-OE1 3.3Å; K413-E417 WeakPolarHBondContact O-CB 3.49Å; K413-E417 VanDerWaalsContact O-CG 3.32Å; K413-E417 WeakPolarHBondContact O-CG 3.44Å; K413-E417 PolarHBondContact O-N 3.03Å; K414-E417 PolarHBondContact O-N 3.35Å; E417-E420 PolarHBondContact O-N 3.15Å; E417-L421 WeakPolarHBondContact O-CB 3.44Å; E417-L421 PolarHBondContact O-N 3.47Å
418Q88.2Confident92.5Very high117 Ų117112.6 Ų112.655%0.54752%0.52SS..Hα-helixtrans-65-44.8176-75.1176.8-12.600111.6K414 E415 A416 L421 Q422K414-Q418 WeakPolarHBondContact O-CB 3.44Å; K414-Q418 VanDerWaalsContact O-CG 3.3Å; K414-Q418 WeakPolarHBondContact O-CG 3.31Å; K414-Q418 PolarHBondContact O-N 3.32Å; E415-Q418 PolarHBondContact O-N 2.95Å; A416-Q418 PolarHBondContact O-N 3.4Å; Q418-L421 PolarHBondContact O-N 3.05Å; Q418-Q422 WeakPolarHBondContact O-CB 3.48Å; Q418-Q422 VanDerWaalsContact O-CG 3.31Å; Q418-Q422 WeakPolarHBondContact O-CG 3.42Å; Q418-Q422 PolarHBondContact O-N 3.3Å
419Y92.1Very high92.2Very high159 Ų159114 Ų11462%0.62453%0.525SS*.Hα-helixtrans-60.5-45.1176.3178.4-97.5000111.6E415 A416 Q422 R423E415-Y419 VanDerWaalsContact O-CB 3.32Å; E415-Y419 WeakPolarHBondContact O-CB 3.38Å; E415-Y419 PolarHBondContact O-N 3.24Å; A416-Y419 PolarHBondContact O-N 2.93Å; Y419-Q422 PolarHBondContact O-N 3.35Å; Y419-R423 WeakPolarHBondContact O-CB 3.45Å; Y419-R423 PolarHBondContact O-N 3.33Å
420E89.4Confident92.1Very high127 Ų127110.7 Ų110.759%0.59351%0.513SS*.Hα-helixtrans-62.4-44175.5-75.7-177.4-179.800112A416 E417 Q422 R423 M424A416-E420 WeakPolarHBondContact O-CB 3.4Å; A416-E420 WeakPolarHBondContact O-CG 3.4Å; A416-E420 PolarHBondContact O-N 3.45Å; E417-E420 PolarHBondContact O-N 3.15Å; E420-Q422 PolarHBondContact O-N 3.26Å; E420-R423 WeakPolarHBondContact O-CB 3.48Å; E420-R423 PolarHBondContact O-N 2.97Å; E420-M424 VanDerWaalsContact O-CG 3.28Å; E420-M424 WeakPolarHBondContact O-CG 3.49Å; E420-M424 PolarHBondContact O-N 3.16Å
421L92.7Very high91.9Very high90 Ų90109.5 Ų109.547%0.47151%0.513SS..Hα-helixtrans-62.7-42.6177.4-177.162.7000111.8E417 Q418 M424 R425E417-L421 WeakPolarHBondContact O-CB 3.44Å; E417-L421 PolarHBondContact O-N 3.47Å; Q418-L421 PolarHBondContact O-N 3.05Å; L421-M424 PolarHBondContact O-N 2.93Å; L421-R425 WeakPolarHBondContact O-CG 3.34Å; L421-R425 PolarHBondContact O-N 3.42Å
422Q91.4Very high91.9Very high110 Ų110111.5 Ų111.551%0.51452%0.52SS..Hα-helixtrans-63-44.8174.7-73.4178.93.300111.3Q418 Y419 E420 M424 R425 H426Q418-Q422 WeakPolarHBondContact O-CB 3.48Å; Q418-Q422 VanDerWaalsContact O-CG 3.31Å; Q418-Q422 WeakPolarHBondContact O-CG 3.42Å; Q418-Q422 PolarHBondContact O-N 3.3Å; Y419-Q422 PolarHBondContact O-N 3.35Å; E420-Q422 PolarHBondContact O-N 3.26Å; Q422-M424 VanDerWaalsContact C-N 3.31Å; Q422-M424 PolarHBondContact O-N 3.16Å; Q422-R425 PolarHBondContact O-N 2.87Å; Q422-H426 PolarHBondContact O-N 3.35Å
423R93.5Very high91.6Very high143 Ų143110.5 Ų110.554%0.5452%0.518SS..Hα-helixtrans-58.1-43.2175.3-176.4177179.5-79.9-2.8111.6Y419 E420 H426 I427Y419-R423 WeakPolarHBondContact O-CB 3.45Å; Y419-R423 PolarHBondContact O-N 3.33Å; E420-R423 WeakPolarHBondContact O-CB 3.48Å; E420-R423 PolarHBondContact O-N 2.97Å; R423-H426 PolarHBondContact O-N 3.08Å; R423-I427 HydrophobicContact CG-CD1 4.08Å; R423-I427 VanDerWaalsContact O-CG1 3.28Å; R423-I427 WeakPolarHBondContact O-CG1 3.44Å; R423-I427 PolarHBondContact O-N 3.08Å
424M93.3Very high91.4Very high99 Ų99109.1 Ų109.149%0.48851%0.514SS..Hα-helixtrans-65.5-42.5176.8-71.4-60.4-69.800112.4E420 L421 Q422 H426 I427 Q428E420-M424 VanDerWaalsContact O-CG 3.28Å; E420-M424 WeakPolarHBondContact O-CG 3.49Å; E420-M424 PolarHBondContact O-N 3.16Å; L421-M424 PolarHBondContact O-N 2.93Å; Q422-M424 VanDerWaalsContact C-N 3.31Å; Q422-M424 PolarHBondContact O-N 3.16Å; M424-H426 VanDerWaalsContact C-N 3.34Å; M424-H426 PolarHBondContact O-N 3.01Å; M424-I427 PolarHBondContact O-N 3.07Å; M424-Q428 WeakPolarHBondContact O-CB 3.47Å; M424-Q428 VanDerWaalsContact O-CG 3.31Å; M424-Q428 WeakPolarHBondContact O-CG 3.4Å; M424-Q428 PolarHBondContact O-N 3.31Å
425R92.3Very high91.3Very high155 Ų155106.2 Ų106.259%0.58551%0.509SS*.Hα-helixtrans-61.6-42174.9-73173.5-177.7-179.52.7111.8L421 Q422 Q428 M429L421-R425 WeakPolarHBondContact O-CG 3.34Å; L421-R425 PolarHBondContact O-N 3.42Å; Q422-R425 PolarHBondContact O-N 2.87Å; R425-Q428 PolarHBondContact O-N 3.31Å; R425-M429 WeakPolarHBondContact O-CB 3.35Å; R425-M429 PolarHBondContact O-N 3.42Å
426H91.5Very high90.9Very high123 Ų123105.5 Ų105.557%0.56951%0.507SS*.Hα-helixtrans-61.9-49176.5-176.576.9000111.3Q422 R423 M424 Q428 M429 V430Q422-H426 PolarHBondContact O-N 3.35Å; R423-H426 PolarHBondContact O-N 3.08Å; M424-H426 VanDerWaalsContact C-N 3.34Å; M424-H426 PolarHBondContact O-N 3.01Å; H426-Q428 VanDerWaalsContact C-N 3.34Å; H426-Q428 PolarHBondContact O-N 3.38Å; H426-M429 WeakPolarHBondContact O-CB 3.49Å; H426-M429 PolarHBondContact O-N 3.26Å; H426-V430 WeakPolarHBondContact O-CG2 3.42Å; H426-V430 PolarHBondContact O-N 3.05Å
427I90.6Very high91Very high66 Ų66111.1 Ų111.134%0.33852%0.518SS..Hα-helixtrans-57.9-46.2176-67.8164.9000110.9R423 M424 M429 V430 T431R423-I427 HydrophobicContact CG-CD1 4.08Å; R423-I427 VanDerWaalsContact O-CG1 3.28Å; R423-I427 WeakPolarHBondContact O-CG1 3.44Å; R423-I427 PolarHBondContact O-N 3.08Å; M424-I427 PolarHBondContact O-N 3.07Å; I427-M429 VanDerWaalsContact C-N 3.33Å; I427-M429 PolarHBondContact O-N 3.04Å; I427-V430 PolarHBondContact O-N 3.24Å; I427-T431 PolarHBondContact O-N 3.24Å; I427-T431 PolarHBondContact O-OG1 3.3Å
428Q93.3Very high91Very high126 Ų126110.9 Ų110.959%0.58952%0.519SS*.Hα-helixtrans-61.1-40.1177.5-75.3178.4-4.800112.8M424 R425 H426 K432M424-Q428 WeakPolarHBondContact O-CB 3.47Å; M424-Q428 VanDerWaalsContact O-CG 3.31Å; M424-Q428 WeakPolarHBondContact O-CG 3.4Å; M424-Q428 PolarHBondContact O-N 3.31Å; R425-Q428 PolarHBondContact O-N 3.31Å; H426-Q428 VanDerWaalsContact C-N 3.34Å; H426-Q428 PolarHBondContact O-N 3.38Å; Q428-K432 VanDerWaalsContact O-CB 3.27Å; Q428-K432 WeakPolarHBondContact O-CB 3.38Å; Q428-K432 PolarHBondContact O-N 2.8Å
429M87.6Confident91.3Very high122 Ų122110.9 Ų110.960%0.60152%0.519SS*.Hα-helixtrans-62.8-46175.7-174.2-169.7-69.200110.9R425 H426 I427 K432 L433R425-M429 WeakPolarHBondContact O-CB 3.35Å; R425-M429 PolarHBondContact O-N 3.42Å; H426-M429 WeakPolarHBondContact O-CB 3.49Å; H426-M429 PolarHBondContact O-N 3.26Å; I427-M429 VanDerWaalsContact C-N 3.33Å; I427-M429 PolarHBondContact O-N 3.04Å; M429-K432 PolarHBondContact O-N 2.82Å; M429-L433 HydrophobicContact CG-CD1 4.33Å; M429-L433 WeakPolarHBondContact O-CG 3.42Å; M429-L433 PolarHBondContact O-N 2.92Å
430V92.1Very high91.2Very high56 Ų56110.5 Ų110.534%0.33952%0.521SS..Hα-helixtrans-61-49.8177173.90000110.9H426 I427 K432 L433 E434H426-V430 WeakPolarHBondContact O-CG2 3.42Å; H426-V430 PolarHBondContact O-N 3.05Å; I427-V430 PolarHBondContact O-N 3.24Å; V430-K432 VanDerWaalsContact C-N 3.31Å; V430-K432 PolarHBondContact O-N 3.27Å; V430-L433 PolarHBondContact O-N 3.48Å; V430-L433 VanDerWaalsContact O-N 3.14Å; V430-E434 PolarHBondContact O-N 3.27Å
431T90.2Very high91.2Very high78 Ų78110.3 Ų110.348%0.47952%0.52SS..Hα-helixtrans-59.5-40.5177.6-56.10000112.1I427 E434 A435I427-T431 PolarHBondContact O-N 3.24Å; I427-T431 PolarHBondContact O-OG1 3.3Å; T431-E434 PolarHBondContact O-N 3.33Å; T431-A435 PolarHBondContact O-N 2.86Å
432K93.1Very high91.1Very high153 Ų153110.7 Ų110.767%0.66552%0.519SS*.Hα-helixtrans-64.5-40.9176.7-176.1176.1-178.9178.80111.8Q428 M429 V430 A435 M436Q428-K432 VanDerWaalsContact O-CB 3.27Å; Q428-K432 WeakPolarHBondContact O-CB 3.38Å; Q428-K432 PolarHBondContact O-N 2.8Å; M429-K432 PolarHBondContact O-N 2.82Å; V430-K432 VanDerWaalsContact C-N 3.31Å; V430-K432 PolarHBondContact O-N 3.27Å; K432-A435 PolarHBondContact O-N 3.29Å; K432-M436 WeakPolarHBondContact O-CG 3.45Å; K432-M436 PolarHBondContact O-N 3.34Å
433L88.3Confident91.1Very high88 Ų88110.9 Ų110.946%0.46152%0.521SS..Hα-helixtrans-65-40.1176.3-72.8171.3000111.6M429 V430 M436 R437M429-L433 HydrophobicContact CG-CD1 4.33Å; M429-L433 WeakPolarHBondContact O-CG 3.42Å; M429-L433 PolarHBondContact O-N 2.92Å; V430-L433 PolarHBondContact O-N 3.48Å; V430-L433 VanDerWaalsContact O-N 3.14Å; L433-M436 PolarHBondContact O-N 3.03Å; L433-R437 WeakPolarHBondContact O-CG 3.43Å; L433-R437 PolarHBondContact O-N 2.93Å
434E89.6Confident91Very high97 Ų97107.4 Ų107.445%0.45351%0.513SS..Hα-helixtrans-63.6-45.7174.6-72.6177.1169.400112.2V430 T431 M436 R437 I438V430-E434 PolarHBondContact O-N 3.27Å; T431-E434 PolarHBondContact O-N 3.33Å; E434-M436 VanDerWaalsContact C-N 3.31Å; E434-M436 PolarHBondContact O-N 3.29Å; E434-R437 WeakPolarHBondContact O-CB 3.39Å; E434-R437 PolarHBondContact O-N 3.44Å; E434-R437 VanDerWaalsContact O-N 3.09Å; E434-I438 WeakPolarHBondContact O-CG1 3.4Å; E434-I438 PolarHBondContact O-N 3.05Å
435A91.1Very high90.9Very high45 Ų45107.4 Ų107.437%0.37251%0.512SS..Hα-helixtrans-59-41.8175.300000112T431 K432 R437 I438 Q439T431-A435 PolarHBondContact O-N 2.86Å; K432-A435 PolarHBondContact O-N 3.29Å; A435-R437 VanDerWaalsContact C-N 3.35Å; A435-R437 PolarHBondContact O-N 3.32Å; A435-I438 PolarHBondContact O-N 3.27Å; A435-Q439 WeakPolarHBondContact O-CB 3.38Å; A435-Q439 WeakPolarHBondContact O-CG 3.04Å; A435-Q439 PolarHBondContact O-N 3.31Å
436M83.6Confident91Very high109 Ų109106.1 Ų106.154%0.53751%0.512SS..Hα-helixtrans-63.8-36.7174.8-76.1-69.5-59.200112.7K432 L433 E434 K440K432-M436 WeakPolarHBondContact O-CG 3.45Å; K432-M436 PolarHBondContact O-N 3.34Å; L433-M436 PolarHBondContact O-N 3.03Å; E434-M436 VanDerWaalsContact C-N 3.31Å; E434-M436 PolarHBondContact O-N 3.29Å; M436-K440 VanDerWaalsContact O-CB 3.29Å; M436-K440 WeakPolarHBondContact O-CB 3.43Å; M436-K440 PolarHBondContact O-N 3.03Å
437R94.6Very high91.1Very high167 Ų167106.2 Ų106.263%0.6351%0.513SS*.Hα-helixtrans-65.7-44.3174.9-72.6174.5-170.4149.30.4111.4L433 E434 A435 K440 H441L433-R437 WeakPolarHBondContact O-CG 3.43Å; L433-R437 PolarHBondContact O-N 2.93Å; E434-R437 WeakPolarHBondContact O-CB 3.39Å; E434-R437 PolarHBondContact O-N 3.44Å; E434-R437 VanDerWaalsContact O-N 3.09Å; A435-R437 VanDerWaalsContact C-N 3.35Å; A435-R437 PolarHBondContact O-N 3.32Å; R437-K440 PolarHBondContact O-N 3.4Å; R437-H441 PolarHBondContact O-N 2.9Å
438I92.1Very high91.3Very high98 Ų98110.9 Ų110.950%0.50353%0.526SS..Hα-helixtrans-63.1-49.1177.4-65166.5000110.1E434 A435 K440 H441 E442E434-I438 WeakPolarHBondContact O-CG1 3.4Å; E434-I438 PolarHBondContact O-N 3.05Å; A435-I438 PolarHBondContact O-N 3.27Å; I438-K440 VanDerWaalsContact C-N 3.32Å; I438-K440 PolarHBondContact O-N 2.87Å; I438-H441 WeakPolarHBondContact O-CB 3.36Å; I438-H441 PolarHBondContact O-N 3.34Å; I438-E442 HydrophobicContact CG2-CG 4.38Å; I438-E442 WeakPolarHBondContact O-CG 3.22Å; I438-E442 PolarHBondContact O-N 2.97Å
439Q94Very high91.3Very high117 Ų117109.7 Ų109.755%0.54752%0.523SS..Hα-helixtrans-59.8-40.8177.4-75.8-177.13.800112.5A435 H441 E442 M443A435-Q439 WeakPolarHBondContact O-CB 3.38Å; A435-Q439 WeakPolarHBondContact O-CG 3.04Å; A435-Q439 PolarHBondContact O-N 3.31Å; Q439-H441 VanDerWaalsContact C-N 3.33Å; Q439-H441 PolarHBondContact O-N 3.41Å; Q439-E442 PolarHBondContact O-N 2.92Å; Q439-M443 VanDerWaalsContact O-CB 3.23Å; Q439-M443 WeakPolarHBondContact O-CB 3.25Å; Q439-M443 PolarHBondContact O-N 2.97Å
440K90.8Very high91.6Very high151 Ų151106.6 Ų106.666%0.65752%0.518SS*.Hα-helixtrans-62.4-41.5175.1-177.4-178.2177.2-177.40111.4M436 R437 I438 L444M436-K440 VanDerWaalsContact O-CB 3.29Å; M436-K440 WeakPolarHBondContact O-CB 3.43Å; M436-K440 PolarHBondContact O-N 3.03Å; R437-K440 PolarHBondContact O-N 3.4Å; I438-K440 VanDerWaalsContact C-N 3.32Å; I438-K440 PolarHBondContact O-N 2.87Å; K440-L444 VanDerWaalsContact O-CB 3.32Å; K440-L444 WeakPolarHBondContact O-CB 3.49Å; K440-L444 PolarHBondContact O-N 3.47Å; K440-L444 VanDerWaalsContact O-N 3.08Å
441H90Very high91.6Very high124 Ų124106.5 Ų106.557%0.57452%0.522SS*.Hα-helixtrans-64-48.7177-173.3-82000111.4R437 I438 Q439 L444 E445R437-H441 PolarHBondContact O-N 2.9Å; I438-H441 WeakPolarHBondContact O-CB 3.36Å; I438-H441 PolarHBondContact O-N 3.34Å; Q439-H441 VanDerWaalsContact C-N 3.33Å; Q439-H441 PolarHBondContact O-N 3.41Å; H441-L444 PolarHBondContact O-N 2.94Å; H441-E445 PolarHBondContact O-N 3.23Å
442E90Very high91.6Very high98 Ų98106.7 Ų106.746%0.45852%0.52SS..Hα-helixtrans-62.1-44.6178.2-71.8177.6173.500112.5I438 Q439 L444 E445 Q446I438-E442 HydrophobicContact CG2-CG 4.38Å; I438-E442 WeakPolarHBondContact O-CG 3.22Å; I438-E442 PolarHBondContact O-N 2.97Å; Q439-E442 PolarHBondContact O-N 2.92Å; E442-L444 VanDerWaalsContact C-N 3.32Å; E442-L444 PolarHBondContact O-N 3.39Å; E442-E445 PolarHBondContact O-N 3.32Å; E442-Q446 VanDerWaalsContact O-CG 3.31Å; E442-Q446 WeakPolarHBondContact O-CG 3.22Å; E442-Q446 PolarHBondContact O-N 3.28Å
443M90.6Very high91.7Very high114 Ų114107 Ų10756%0.56252%0.517SS*.Hα-helixtrans-61.7-42.1177.3-177-162.569.100111.3Q439 E445 Q446 Q447Q439-M443 VanDerWaalsContact O-CB 3.23Å; Q439-M443 WeakPolarHBondContact O-CB 3.25Å; Q439-M443 PolarHBondContact O-N 2.97Å; M443-E445 VanDerWaalsContact C-N 3.34Å; M443-Q446 PolarHBondContact O-N 3.48Å; M443-Q447 WeakPolarHBondContact O-CB 3.31Å; M443-Q447 PolarHBondContact O-N 2.95Å
444L92.5Very high91.9Very high69 Ų69108.8 Ų108.836%0.36152%0.521SS..Hα-helixtrans-66-37.8177.9-170.869.6000111.5K440 H441 E442 Q447 R448K440-L444 VanDerWaalsContact O-CB 3.32Å; K440-L444 WeakPolarHBondContact O-CB 3.49Å; K440-L444 PolarHBondContact O-N 3.47Å; K440-L444 VanDerWaalsContact O-N 3.08Å; H441-L444 PolarHBondContact O-N 2.94Å; E442-L444 VanDerWaalsContact C-N 3.32Å; E442-L444 PolarHBondContact O-N 3.39Å; L444-Q447 PolarHBondContact O-N 3.09Å; L444-R448 WeakPolarHBondContact O-CG 3.49Å; L444-R448 PolarHBondContact O-N 3.04Å
445E91.9Very high91.9Very high99 Ų99109.1 Ų109.146%0.46352%0.524SS..Hα-helixtrans-66.4-45.7175.1-173.6173.4-172.700112H441 E442 M443 Q447 R448 L449H441-E445 PolarHBondContact O-N 3.23Å; E442-E445 PolarHBondContact O-N 3.32Å; M443-E445 VanDerWaalsContact C-N 3.34Å; E445-Q447 VanDerWaalsContact C-N 3.28Å; E445-Q447 PolarHBondContact O-N 2.87Å; E445-R448 WeakPolarHBondContact O-CB 3.49Å; E445-R448 PolarHBondContact O-N 3.31Å; E445-R448 VanDerWaalsContact O-N 3.15Å; E445-L449 HydrophobicContact CG-CD1 4.32Å; E445-L449 WeakPolarHBondContact O-CG 3.48Å; E445-L449 PolarHBondContact O-N 3.4Å
446Q94.1Very high92Very high129 Ų129112.8 Ų112.860%0.60353%0.533SS*.Hα-helixtrans-58.7-40.5174.5-71.9174.115.900111.8E442 M443 L449 A450E442-Q446 VanDerWaalsContact O-CG 3.31Å; E442-Q446 WeakPolarHBondContact O-CG 3.22Å; E442-Q446 PolarHBondContact O-N 3.28Å; M443-Q446 PolarHBondContact O-N 3.48Å; Q446-L449 PolarHBondContact O-N 3.47Å; Q446-A450 WeakPolarHBondContact O-CB 3.45Å; Q446-A450 PolarHBondContact O-N 2.89Å
447Q94Very high92.3Very high125 Ų125113 Ų11358%0.58453%0.533SS*.Hα-helixtrans-63.8-42.5176.2-170.2179.420.900111.9M443 L444 E445 A450 A451M443-Q447 WeakPolarHBondContact O-CB 3.31Å; M443-Q447 PolarHBondContact O-N 2.95Å; L444-Q447 PolarHBondContact O-N 3.09Å; E445-Q447 VanDerWaalsContact C-N 3.28Å; E445-Q447 PolarHBondContact O-N 2.87Å; Q447-A450 PolarHBondContact O-N 3.28Å; Q447-A451 WeakPolarHBondContact O-CB 3.47Å; Q447-A451 PolarHBondContact O-N 3.37Å
448R93.4Very high92Very high163 Ų163109.9 Ų109.962%0.61553%0.525SS*.Hα-helixtrans-61.6-46.1174.8-72.2171.2-178.6-179.30.8111.3L444 E445 A450 A451 I452L444-R448 WeakPolarHBondContact O-CG 3.49Å; L444-R448 PolarHBondContact O-N 3.04Å; E445-R448 WeakPolarHBondContact O-CB 3.49Å; E445-R448 PolarHBondContact O-N 3.31Å; E445-R448 VanDerWaalsContact O-N 3.15Å; R448-A450 PolarHBondContact O-N 2.9Å; R448-A451 PolarHBondContact O-N 2.97Å; R448-I452 WeakPolarHBondContact O-CG1 3.42Å; R448-I452 PolarHBondContact O-N 2.9Å
449L94.4Very high91.9Very high101 Ų101111.5 Ų111.553%0.52953%0.531SS..Hα-helixtrans-63.6-39.6178.2-70171.6000112.4E445 Q446 I452 R453E445-L449 HydrophobicContact CG-CD1 4.32Å; E445-L449 WeakPolarHBondContact O-CG 3.48Å; E445-L449 PolarHBondContact O-N 3.4Å; Q446-L449 PolarHBondContact O-N 3.47Å; L449-I452 PolarHBondContact O-N 3.16Å; L449-R453 WeakPolarHBondContact O-CB 3.32Å; L449-R453 PolarHBondContact O-N 3.41Å
450A92.5Very high91.7Very high58 Ų58111.6 Ų111.648%0.47953%0.534SS..Hα-helixtrans-66.4-40.5175.900000112.3Q446 Q447 R448 R453 K454Q446-A450 WeakPolarHBondContact O-CB 3.45Å; Q446-A450 PolarHBondContact O-N 2.89Å; Q447-A450 PolarHBondContact O-N 3.28Å; R448-A450 PolarHBondContact O-N 2.9Å; A450-R453 PolarHBondContact O-N 3.32Å; A450-K454 PolarHBondContact O-N 3.12Å
451A93.6Very high91.5Very high53 Ų53110.1 Ų110.144%0.43853%0.53SS..Hα-helixtrans-63.8-41.917600000112Q447 R448 K454 M455Q447-A451 WeakPolarHBondContact O-CB 3.47Å; Q447-A451 PolarHBondContact O-N 3.37Å; R448-A451 PolarHBondContact O-N 2.97Å; A451-K454 PolarHBondContact O-N 3.48Å; A451-M455 PolarHBondContact O-N 2.89Å; A451-M455 VanDerWaalsContact O-N 3.16Å
452I90.5Very high91.2Very high83 Ų83109.9 Ų109.943%0.42653%0.53SS..Hα-helixtrans-61.7-49.4175.4-67.9166000110.5R448 L449 K454 M455 E456R448-I452 WeakPolarHBondContact O-CG1 3.42Å; R448-I452 PolarHBondContact O-N 2.9Å; L449-I452 PolarHBondContact O-N 3.16Å; I452-K454 VanDerWaalsContact C-N 3.3Å; I452-K454 PolarHBondContact O-N 3.25Å; I452-M455 HydrophobicContact CG1-CE 4.29Å; I452-M455 PolarHBondContact O-N 3.1Å; I452-M455 VanDerWaalsContact O-N 3.14Å; I452-E456 PolarHBondContact O-N 2.89Å; I452-E456 VanDerWaalsContact O-N 3.1Å
453R93.4Very high91.1Very high159 Ų159111.2 Ų111.260%0.654%0.536SS*.Hα-helixtrans-56-43.7178-175.2-171.7-59.7-118.2-1.9112.3L449 A450 M455 E456 E457L449-R453 WeakPolarHBondContact O-CB 3.32Å; L449-R453 PolarHBondContact O-N 3.41Å; A450-R453 PolarHBondContact O-N 3.32Å; R453-M455 PolarHBondContact O-N 3.45Å; R453-E456 PolarHBondContact O-N 2.88Å; R453-E457 WeakPolarHBondContact O-CG 3.41Å; R453-E457 PolarHBondContact O-N 2.96Å
454K92.5Very high90.8Very high125 Ų125111.8 Ų111.854%0.54354%0.539SS..Hα-helixtrans-63.5-40.6179.2-169.8-177.5178.1-167.20112.2A450 A451 I452 E456 E457 E458A450-K454 PolarHBondContact O-N 3.12Å; A451-K454 PolarHBondContact O-N 3.48Å; I452-K454 VanDerWaalsContact C-N 3.3Å; I452-K454 PolarHBondContact O-N 3.25Å; K454-E456 VanDerWaalsContact C-N 3.32Å; K454-E456 PolarHBondContact O-N 3.46Å; K454-E457 PolarHBondContact O-N 3.01Å; K454-E458 VanDerWaalsContact CE-OE1 3.28Å; K454-E458 WeakPolarHBondContact CE-OE1 3.42Å; K454-E458 IonicContact NZ-OE1 3.89Å; K454-E458 WeakPolarHBondContact O-CG 3.41Å; K454-E458 PolarHBondContact O-N 3.32Å
455M91.4Very high90.1Very high105 Ų105117 Ų11752%0.51755%0.554SS.*Hα-helixtrans-63.6-38.9175.8-72-173-67.200111.9A451 I452 R453 Q459A451-M455 PolarHBondContact O-N 2.89Å; A451-M455 VanDerWaalsContact O-N 3.16Å; I452-M455 HydrophobicContact CG1-CE 4.29Å; I452-M455 PolarHBondContact O-N 3.1Å; I452-M455 VanDerWaalsContact O-N 3.14Å; R453-M455 PolarHBondContact O-N 3.45Å; M455-Q459 WeakPolarHBondContact O-CB 3.34Å; M455-Q459 VanDerWaalsContact O-CG 3.32Å; M455-Q459 WeakPolarHBondContact O-CG 3.18Å; M455-Q459 PolarHBondContact O-N 2.74Å
456E92.1Very high89.3Confident122 Ų122119.8 Ų119.857%0.5757%0.565SS**Hα-helixtrans-65.4-41.5175.8-68177.2161.900111.8I452 R453 K454 Q459 L460I452-E456 PolarHBondContact O-N 2.89Å; I452-E456 VanDerWaalsContact O-N 3.1Å; R453-E456 PolarHBondContact O-N 2.88Å; K454-E456 VanDerWaalsContact C-N 3.32Å; K454-E456 PolarHBondContact O-N 3.46Å; E456-Q459 PolarHBondContact O-N 3.49Å; E456-L460 WeakPolarHBondContact O-CB 3.38Å; E456-L460 PolarHBondContact O-N 3.12Å
457E89.7Confident88.2Confident114 Ų114124.2 Ų124.253%0.53358%0.576SS.*Hα-helixtrans-62.2-45.9175.2-73.4171.7-175.200111.9R453 K454 Q459 L460 E461R453-E457 WeakPolarHBondContact O-CG 3.41Å; R453-E457 PolarHBondContact O-N 2.96Å; K454-E457 PolarHBondContact O-N 3.01Å; E457-Q459 VanDerWaalsContact C-N 3.33Å; E457-Q459 PolarHBondContact O-N 3.45Å; E457-L460 PolarHBondContact O-N 3.04Å; E457-E461 WeakPolarHBondContact O-CB 3.36Å; E457-E461 PolarHBondContact O-N 3.17Å
458E89.4Confident86.9Confident101 Ų101125.2 Ų125.247%0.47258%0.583SS.*Hα-helixtrans-62.8-39.1177.1-73.9175.3177.800111.9K454 M462K454-E458 VanDerWaalsContact CE-OE1 3.28Å; K454-E458 WeakPolarHBondContact CE-OE1 3.42Å; K454-E458 IonicContact NZ-OE1 3.89Å; K454-E458 WeakPolarHBondContact O-CG 3.41Å; K454-E458 PolarHBondContact O-N 3.32Å; E458-M462 WeakPolarHBondContact O-CB 3.23Å; E458-M462 PolarHBondContact O-N 3.14Å
459Q89.4Confident85.3Confident132 Ų132124.4 Ų124.462%0.61759%0.588SS**Hα-helixtrans-66.1-42.3174.5-75.6-174.712.100112.1M455 E456 E457 M462 Q463M455-Q459 WeakPolarHBondContact O-CB 3.34Å; M455-Q459 VanDerWaalsContact O-CG 3.32Å; M455-Q459 WeakPolarHBondContact O-CG 3.18Å; M455-Q459 PolarHBondContact O-N 2.74Å; E456-Q459 PolarHBondContact O-N 3.49Å; E457-Q459 VanDerWaalsContact C-N 3.33Å; E457-Q459 PolarHBondContact O-N 3.45Å; Q459-M462 PolarHBondContact O-N 3.34Å; Q459-Q463 PolarHBondContact O-N 3.4Å
460L88.6Confident83.4Confident118 Ų118124.2 Ų124.262%0.61859%0.592SS**Hα-helixtrans-64.4-43.1177-173.167.3000111.3E456 E457 Q463 M464E456-L460 WeakPolarHBondContact O-CB 3.38Å; E456-L460 PolarHBondContact O-N 3.12Å; E457-L460 PolarHBondContact O-N 3.04Å; L460-Q463 PolarHBondContact O-N 2.69Å; L460-M464 PolarHBondContact O-N 2.92Å
461E87Confident81.4Confident120 Ų120130 Ų13056%0.56161%0.609SS**Hα-helixtrans-63.2-44.6176.2-169.8-175.7162.500111.3E457 Q463 M464 R465E457-E461 WeakPolarHBondContact O-CB 3.36Å; E457-E461 PolarHBondContact O-N 3.17Å; E461-Q463 VanDerWaalsContact C-N 3.29Å; E461-Q463 PolarHBondContact O-N 3.25Å; E461-M464 PolarHBondContact O-N 2.87Å; E461-M464 VanDerWaalsContact O-N 3.17Å; E461-R465 WeakPolarHBondContact O-CB 3.46Å; E461-R465 PolarHBondContact O-N 3.46Å
462M84.3Confident79.1Confident119 Ų119137 Ų13759%0.58663%0.633SS**Hα-helixtrans-60.3-39.9176.7-174.4-175.5-72.300111.7E458 Q459 K466E458-M462 WeakPolarHBondContact O-CB 3.23Å; E458-M462 PolarHBondContact O-N 3.14Å; Q459-M462 PolarHBondContact O-N 3.34Å; M462-K466 WeakPolarHBondContact O-CG 3.36Å; M462-K466 PolarHBondContact O-N 3.17Å
463Q87Confident76.6Confident126 Ų126140.3 Ų140.359%0.58965%0.647SS**Hα-helixtrans-66.6-42.2174.7-76.8-172.88.300112.2Q459 L460 E461 K466 R467Q459-Q463 PolarHBondContact O-N 3.4Å; L460-Q463 PolarHBondContact O-N 2.69Å; E461-Q463 VanDerWaalsContact C-N 3.29Å; E461-Q463 PolarHBondContact O-N 3.25Å; Q463-K466 PolarHBondContact O-N 2.97Å; Q463-R467 PolarHBondContact O-N 2.99Å
464M85.3Confident74Confident126 Ų126142 Ų14262%0.62166%0.655SS**Hα-helixtrans-66.5-42.7179.5-169-179.5-98.600111.6L460 E461 K466 R467 M468L460-M464 PolarHBondContact O-N 2.92Å; E461-M464 PolarHBondContact O-N 2.87Å; E461-M464 VanDerWaalsContact O-N 3.17Å; M464-K466 VanDerWaalsContact C-N 3.31Å; M464-K466 PolarHBondContact O-N 3.38Å; M464-R467 PolarHBondContact O-N 3.19Å; M464-R467 VanDerWaalsContact O-N 3.07Å; M464-M468 PolarHBondContact O-N 3.38Å
465R78.7Confident71.4Confident178 Ų178145.2 Ų145.267%0.67267%0.671SS**Hα-helixtrans-65.3-32.9178.3-168151175.1168-4.5112.7E461 M468E461-R465 WeakPolarHBondContact O-CB 3.46Å; E461-R465 PolarHBondContact O-N 3.46Å; R465-M468 PolarHBondContact O-N 2.98Å
466K74.6Confident68.8Low158 Ų158146.1 Ų146.169%0.68768%0.682SS**Hα-helixtrans-66.5-33.2171-77.6176.6179.9175.90113M462 Q463 M464M462-K466 WeakPolarHBondContact O-CG 3.36Å; M462-K466 PolarHBondContact O-N 3.17Å; Q463-K466 PolarHBondContact O-N 2.97Å; M464-K466 VanDerWaalsContact C-N 3.31Å; M464-K466 PolarHBondContact O-N 3.38Å
467R70.9Confident66.3Low222 Ų222146 Ų14684%0.83869%0.692SS**Hα-helixtrans-75.1-33.4174.9-80.7-169.4-167.4159.35.9113.5Q463 M464 M469Q463-R467 PolarHBondContact O-N 2.99Å; M464-R467 PolarHBondContact O-N 3.19Å; M464-R467 VanDerWaalsContact O-N 3.07Å; R467-M469 VanDerWaalsContact C-N 3.27Å; R467-M469 PolarHBondContact O-N 3.32Å
468M67.5Low63.7Low147 Ų147146.8 Ų146.872%0.72471%0.705SS**SBendtrans-78.5-1.4-175.6-78.4-88.1-158.100114.6M464 R465 P470M464-M468 PolarHBondContact O-N 3.38Å; R465-M468 PolarHBondContact O-N 2.98Å; M468-P470 WeakPolarHBondContact O-CD 3.23Å
469M59.7Low61.2Low146 Ų146151.2 Ų151.272%0.71973%0.725SS**  trans-102.477.2173.6-81.5-72.5-170.300112.5R467R467-M469 VanDerWaalsContact C-N 3.27Å; R467-M469 PolarHBondContact O-N 3.32Å
470P54.1Low58.5Low96 Ų96148 Ų14862%0.62373%0.727SS**  trans-94.1137.7152.933.8-24.7000110.2M468M468-P470 WeakPolarHBondContact O-CD 3.23Å
471Q49.8Very low55.8Low181 Ų181152.1 Ų152.185%0.84674%0.736SS**  trans6165.8161.6-61.9-176.36.600117.7
472Q45.3Very low53.3Low200 Ų200155.2 Ų155.294%0.93575%0.753SS**  trans-117.774.7131.2-72.7-165.333.700107.6
473Q37.7Very low51Low152 Ų152154.7 Ų154.771%0.7176%0.758SS**  trans-89.5139.3170.4-137.5-177.125.400106.9
474Y40.1Very low48.5Very low195 Ų195151.7 Ų151.777%0.76576%0.761SS**  trans7691168.5-67.2-88000118.4
475Q36.4Very low46Very low192 Ų192153.5 Ų153.590%0.89777%0.772SS**  -159.2105.1117-103.2169.816.600108.8
476V36.9Very low43.8Very low123 Ų123149.7 Ų149.775%0.74577%0.773SS**  trans-111.3110.6174-171.80000106.8V478V476-V478 HydrophobicContact CG1-CG2 3.73Å
477P41.1Very low41.6Very low120 Ų120151.8 Ų151.878%0.77978%0.782SS**  trans-90.8107158.88.710.4000107.9Q479P477-Q479 PolarHBondContact O-N 2.89Å
478V34.9Very low40Very low131 Ų131147.8 Ų147.879%0.79478%0.782SS**  trans-80.8100.3169.6178.70000108.1V476V476-V478 HydrophobicContact CG1-CG2 3.73Å
479Q37Very low38.2Very low193 Ų193148 Ų14890%0.90278%0.781SS**  trans-151.6130159.8-77.3-171.8-45.500105.7P477P477-Q479 PolarHBondContact O-N 2.89Å
480G31.6Very low36.8Very low64 Ų64147.7 Ų147.766%0.6678%0.782SS**  cis165.8125.2700000104.1
481Y31.6Very low36.2Very low206 Ų206148.9 Ų148.981%0.80879%0.789SS**  trans23.8114.6152.6-83.6-101.8000119.3
482M35.2Very low35.5Very low184 Ų184146 Ų14691%0.90679%0.786SS**  trans-148100.5137.4-86.1-68.493.800109.2
483P36.2Very low35Very low109 Ų109139.6 Ų139.671%0.70877%0.774SS**  trans-91.1121.116732.5-23.5000108.6
484G34.7Very low34.7Very low63 Ų63140.9 Ų140.965%0.64978%0.782SS**  trans-165.988.3-175.700000114.7
485I31.2Very low34.4Very low163 Ų163142.5 Ų142.584%0.83679%0.788SS**  trans66.8102.4131.2-57.5160.1000117
486S33.7Very low34.6Very low99 Ų99138.3 Ų138.369%0.69278%0.778SS**  146.4112.5111.7-92.70000112.1V488S486-V488 PolarHBondContact O-N 3.32Å
487F27.2Very low34.6Very low201 Ų201142.8 Ų142.888%0.88278%0.783SS**  trans-56.3116.6155.2-103.4-109.6000109.2
488V37.4Very low34.4Very low138 Ų138144.1 Ų144.184%0.83678%0.78SS**  trans-127.8123.6153.8-1770000107.6S486S486-V488 PolarHBondContact O-N 3.32Å
489Q30.2Very low34.6Very low153 Ų153141.6 Ų141.672%0.71577%0.773SS**  trans-105.3120.1-163.9-179.7-176.1-800108.4
490L29.7Very low34.7Very low139 Ų139140 Ų14073%0.72877%0.768SS**  trans60.3154.2161-77.8113000117.3P492L490-P492 HydrophobicContact CD2-CG 4.31Å
491P41.5Very low34.7Very low121 Ų121140.1 Ų140.179%0.78677%0.77SS**  cis-135166.831.337.3-17.1000116.9
492P36.7Very low34.8Very low119 Ų119137.1 Ų137.177%0.77377%0.768SS**  trans-94.9127.4-176.616.94.1000110.6L490L490-P492 HydrophobicContact CD2-CG 4.31Å
493G34.7Very low34.9Very low66 Ų66133.9 Ų133.968%0.6876%0.76SS**  trans14284.5164.300000113.6
494M31.6Very low34.7Very low179 Ų179133.1 Ų133.188%0.88276%0.758SS**  trans-156.6112.7137.9-79.6-154.779.200106.8P496M494-P496 VanDerWaalsContact O-CD 3.26Å; M494-P496 WeakPolarHBondContact O-CD 3.4Å
495Y33.7Very low34.7Very low229 Ų229138.1 Ų138.190%0.89877%0.766SS**  trans-70.6118162-75.6-95.2000108
496P40Very low34.8Very low104 Ų104135.3 Ų135.368%0.67576%0.761SS**  trans-89.8105.2160.56.215.7000106.7M494 M498M494-P496 VanDerWaalsContact O-CD 3.26Å; M494-P496 WeakPolarHBondContact O-CD 3.4Å; P496-M498 VanDerWaalsContact C-N 3.28Å; P496-M498 PolarHBondContact O-N 2.95Å
497Y36.1Very low34.8Very low218 Ų218135.4 Ų135.486%0.85577%0.768SS**  trans-53.989164.3-171-95000109.1A499Y497-A499 HydrophobicContact CD1-CB 4.19Å; Y497-A499 HydrophobicContact CE1-CB 4.05Å; Y497-A499 PolarHBondContact O-N 2.92Å; Y497-A499 VanDerWaalsContact O-N 3.17Å
498M38Very low35.1Very low147 Ų147134.2 Ų134.272%0.72477%0.767SS**  trans-83.690.2169.3-70.5-155.5-17800108.3P496 M500P496-M498 VanDerWaalsContact C-N 3.28Å; P496-M498 PolarHBondContact O-N 2.95Å; M498-M500 HydrophobicContact CB-CE 4.42Å; M498-M500 PolarHBondContact O-N 3.28Å; M498-M500 HydrophobicContact SD-CE 4.04Å
499A38.1Very low35Very low78 Ų78135.7 Ų135.765%0.64577%0.767SS**  trans-59.686.7162.200000109Y497 G501Y497-A499 HydrophobicContact CD1-CB 4.19Å; Y497-A499 HydrophobicContact CE1-CB 4.05Å; Y497-A499 PolarHBondContact O-N 2.92Å; Y497-A499 VanDerWaalsContact O-N 3.17Å; A499-G501 PolarHBondContact O-N 3.48Å
500M40Very low35.6Very low159 Ų159133.8 Ų133.878%0.78377%0.767SS**  trans-82.6102.1166.6-67.8-60.7-177.600107M498M498-M500 HydrophobicContact CB-CE 4.42Å; M498-M500 PolarHBondContact O-N 3.28Å; M498-M500 HydrophobicContact SD-CE 4.04Å
501G32.1Very low36Very low68 Ų68132.7 Ų132.770%0.70177%0.769SS**  trans-54.6139.9179.100000112.3A499A499-G501 PolarHBondContact O-N 3.48Å
502D32.4Very low35.5Very low143 Ų143136.7 Ų136.777%0.76577%0.774SS**  trans-47.3117.3171.2-172.9-1000111.4S504D502-S504 VanDerWaalsContact C-N 3.32Å; D502-S504 PolarHBondContact O-N 3.22Å
503P38.4Very low35.2Very low115 Ų115137 Ų13775%0.74777%0.773SS**  trans-7492.1168.420.9-12.5000108.5M505P503-M505 VanDerWaalsContact C-N 3.27Å; P503-M505 PolarHBondContact O-N 3.27Å
504S31.9Very low35Very low94 Ų94138.5 Ų138.566%0.65777%0.774SS**  trans-61.185.2161.563.80000109.9D502D502-S504 VanDerWaalsContact C-N 3.32Å; D502-S504 PolarHBondContact O-N 3.22Å
505M33.4Very low34.9Very low168 Ų168141.1 Ų141.183%0.82878%0.775SS**  trans-151.6127.8162.1-86.2-54.5145.300112P503P503-M505 VanDerWaalsContact C-N 3.27Å; P503-M505 PolarHBondContact O-N 3.27Å
506S34.7Very low34.9Very low104 Ų104138.1 Ų138.173%0.72777%0.769SS**  trans84.873.1160.3-52.50000116.9M508S506-M508 VanDerWaalsContact C-N 3.29Å; S506-M508 PolarHBondContact O-N 3.46Å
507A33.4Very low34.4Very low101 Ų101142.1 Ų142.184%0.83578%0.779SS**  trans-57.794.7145.800000109.3M509A507-M509 PolarHBondContact O-N 2.86Å
508M33.9Very low34.1Very low175 Ų175140.7 Ų140.786%0.86278%0.782SS**  trans-68.2108165.146.2172134.900108.7S506 P510S506-M508 VanDerWaalsContact C-N 3.29Å; S506-M508 PolarHBondContact O-N 3.46Å; M508-P510 WeakPolarHBondContact O-CD 3.45Å
509M34.5Very low33.9Very low170 Ų170140.6 Ų140.684%0.83779%0.785SS**PPolyproline II helixtrans-67.4124.5171.7-64.5176.173.800109.4A507A507-M509 PolarHBondContact O-N 2.86Å
510P42Very low33.9Very low112 Ų112142.5 Ų142.573%0.72779%0.791SS**PPolyproline II helixtrans-73.4144.9169.129.1-30.5000110M508M508-P510 WeakPolarHBondContact O-CD 3.45Å
511P38.3Very low33.5Very low117 Ų117143 Ų14376%0.7679%0.793SS**PPolyproline II helixtrans-74.9139.8-172.121.6-18000111.7T513P511-T513 PolarHBondContact O-N 3.2Å
512K32.1Very low33.5Very low205 Ų205147.8 Ų147.889%0.89180%0.797SS**  trans-61.999.1172-63.8175.8178.2178.60109.8S514K512-S514 PolarHBondContact O-N 2.85Å
513T31Very low33.4Very low124 Ų124149.3 Ų149.376%0.76180%0.803SS**  trans-81.2106.2165.223.10000109.3P511 Y515P511-T513 PolarHBondContact O-N 3.2Å; T513-Y515 PolarHBondContact O-N 3.18Å
514S29.3Very low33Very low98 Ų98151 Ų15169%0.68581%0.806SS**  trans-61.1115.2168.9174.80000109.6K512 H516K512-S514 PolarHBondContact O-N 2.85Å; S514-H516 PolarHBondContact O-N 2.79Å
515Y29Very low32.8Very low235 Ų235150 Ų15092%0.92281%0.81SS**  trans-65.399.1169.6-90.2-98.5000109.4T513T513-Y515 PolarHBondContact O-N 3.18Å
516H34.1Very low32.8Very low166 Ų166150.5 Ų150.577%0.76981%0.814SS**  trans-80.1117161.6-96.4-70.8000109.1S514 M518S514-H516 PolarHBondContact O-N 2.79Å; H516-M518 PolarHBondContact O-N 2.79Å
517Q30.6Very low32.6Very low188 Ų188150.2 Ų150.288%0.87982%0.818SS**  trans-52.9108.9172-162170.223.700110.1N519Q517-N519 PolarHBondContact O-N 2.86Å
518M29.3Very low32.4Very low187 Ų187148.8 Ų148.892%0.92181%0.813SS**  trans-78.3114174.5-64.3174.710300108.4H516H516-M518 PolarHBondContact O-N 2.79Å
519N32.4Very low32.5Very low146 Ų146147.1 Ų147.178%0.78181%0.813SS**PPolyproline II helixtrans-80.5137.2177.6-13719.2000109.5Q517 M521Q517-N519 PolarHBondContact O-N 2.86Å; N519-M521 PolarHBondContact O-N 2.95Å
520P38.7Very low32.3Very low118 Ų118144.7 Ų144.777%0.76681%0.809SS**PPolyproline II helixtrans-68.1130.7-177-12.827.5000111.1
521M31.4Very low32Very low168 Ų168145.6 Ų145.683%0.82881%0.813SS**PPolyproline II helixtrans-68137.7178.5-75.4-97.761.700111.9N519N519-M521 PolarHBondContact O-N 2.95Å
522H32Very low31.6Very low169 Ų169148.2 Ų148.278%0.78282%0.815SS**PPolyproline II helixtrans-47.6127.6168.7-76.4-102.7000112.4
523I31.6Very low31.7Very low175 Ų175147.2 Ų147.290%0.89781%0.813SS**PPolyproline II helixtrans-103.3118157.9-152.2146.6000108.6
524N29.8Very low31.5Very low151 Ų151150 Ų15081%0.80782%0.818SS**PPolyproline II helixtrans-82.6135.7-178.9-103.20.3000110.5
525G27.7Very low31.6Very low72 Ų72151.6 Ų151.674%0.74282%0.823SS**  trans78.8102.8133.400000118.2
526I32.7Very low31.7Very low179 Ų179146.1 Ų146.192%0.91882%0.816SS**  trans-133.6130.6135.6-62-174.3000108.2
527A31.2Very low31.5Very low98 Ų98148.9 Ų148.981%0.8182%0.822SS**  trans-85.6142.6-17100000112.9
528G29.7Very low31.6Very low71 Ų71144.5 Ų144.573%0.73282%0.817SS**  69.3109128.300000119.8
529V35.3Very low31.7Very low141 Ų141143.8 Ų143.886%0.85581%0.812SS**  -150.3126.5127.3-165.90000108.8
530P30.9Very low31.9Very low118 Ų118142.7 Ų142.777%0.76681%0.813SS**  trans-100.5133174.634.2-25.5000111.4
531V34.4Very low31.6Very low131 Ų131145.4 Ų145.479%0.79482%0.815SS**  trans-134.6111.2160.1-179.40000108.8
532Q30.8Very low31.5Very low173 Ų173147.7 Ų147.781%0.80882%0.816SS**  trans-70.8133.9165.3-78.2174.9-45.800109.6
533Q33.8Very low31.7Very low184 Ų184146.4 Ų146.486%0.8682%0.819SS**  trans-146103.6149.3-121.7172.10.600109.2
534Q27.3Very low31.7Very low182 Ų182146.9 Ų146.985%0.8582%0.82SS**  trans-91.4130.7167.4-76.7174.8-26.900108.3
535V31.7Very low31.9Very low131 Ų131142.6 Ų142.679%0.79481%0.811SS**  trans-143.3139.8161.6-1430000108.2
536P31.1Very low32.1Very low120 Ų120142.5 Ų142.578%0.77981%0.811SS**  trans-98154.6-148.7120000115.4
537Y28.9Very low32.2Very low225 Ų225144.6 Ų144.688%0.88281%0.809SS**  trans-50.6130.3165.5-98-104.5000113
538A33.2Very low32.4Very low95 Ų95146.4 Ų146.479%0.78581%0.81SS**  trans-118.5117.2161.700000108.7
539Q31.5Very low32.6Very low172 Ų172147.4 Ų147.480%0.80481%0.811SS**PPolyproline II helixtrans-89.6130.3170.6-76.6-157.4-20.800110.3
540P36.6Very low33.2Very low124 Ų124146.4 Ų146.481%0.80581%0.807SS**PPolyproline II helixtrans-83.7133169.2-3.922.4000111.1
541Q32.7Very low33.6Very low174 Ų174146.5 Ų146.581%0.81381%0.808SS**PPolyproline II helixtrans-75.2148.4178.7-77.7-83.5-34.700112.7
542Y28.8Very low33.5Very low217 Ų217148.1 Ų148.185%0.85181%0.811SS**PPolyproline II helixtrans-58.9136.7173.8-83.1-105.7000112.5
543V36.3Very low34.2Very low141 Ų141146.1 Ų146.186%0.85581%0.813SS**  trans-124101.1160.9-166.80000108.3G545V543-G545 PolarHBondContact O-N 3.26Å
544M32.1Very low34.2Very low186 Ų186145.4 Ų145.492%0.91681%0.81SS**  trans-70.9105.1168.3-96-81.5-132.700108.8
545G33.8Very low34.6Very low60 Ų60143.5 Ų143.562%0.61981%0.805SS**  trans-113.694.8172.200000110.4V543V543-G545 PolarHBondContact O-N 3.26Å
546G30.7Very low34.5Very low71 Ų71141.5 Ų141.573%0.73280%0.803SS**  trans-77.4125.2167.700000110.3
547Y36.7Very low35Very low222 Ų222141.7 Ų141.787%0.87180%0.804SS**  trans-131.8142.2166.1-75.9-82.2000110
548V35.1Very low35.2Very low137 Ų137135.5 Ų135.583%0.8380%0.799SS**PPolyproline II helixtrans-86.9138.3-154.7-166.10000110.2
549A34.1Very low35.1Very low91 Ų91134 Ų13475%0.75279%0.793SS**PPolyproline II helixtrans-69.8131.1173.200000111.1
550P46.7Very low35.2Very low120 Ų120137 Ų13778%0.77980%0.799SS**PPolyproline II helixtrans-83.4154.816826.4-21.5000111.9
551P38.7Very low34.9Very low120 Ų120136.4 Ų136.478%0.77980%0.795SS**PPolyproline II helixtrans-91.9148.2-164.123.4-9.9000114.1
552L33.3Very low34.7Very low166 Ų166138.9 Ų138.987%0.86980%0.798SS**PPolyproline II helixtrans-58.6133.2169.7-75.1150.7000112.2
553P46.1Very low34.9Very low130 Ų130137.1 Ų137.184%0.84480%0.798SS**PPolyproline II helixtrans-86.8121.4159.9-4.123.3000110
554Q32.7Very low34.5Very low169 Ų169135.2 Ų135.279%0.7980%0.797SS**PPolyproline II helixtrans-90.8153.2168.3-76.9173.5-30.700110.7
555D35Very low34.3Very low143 Ų143129.5 Ų129.577%0.76579%0.785SS**  trans84.4100.6150.5-60.1-33.3000122.4
556A30.8Very low34.3Very low89 Ų89136.9 Ų136.974%0.73680%0.801SS**  78.8169.9114.100000119.5
557P40.9Very low34.2Very low123 Ų123140.3 Ų140.380%0.79981%0.807SS**  -132.8-168-92.237.9-18.1000114.1
558A34.5Very low34.1Very low95 Ų95133.1 Ų133.179%0.78580%0.8SS**  trans9292.9156.100000118.9
559G29.1Very low34Very low64 Ų64132.5 Ų132.566%0.6680%0.799SS**  54.7120.1116.100000120.6
560Y34.4Very low34Very low236 Ų236133.1 Ų133.193%0.92581%0.805SS**  trans-158.3129.1132.1-85.1-70.8000109.8
561P31.1Very low33.2Very low111 Ų111132.5 Ų132.572%0.72180%0.803SS**  trans-97.9136.6168.134.5-25.4000109.8
562Y27.7Very low32.6Very low226 Ų226132.1 Ų132.189%0.88680%0.803SS**  trans179.1151.6135.9-123.4-106.3000112.7
563Q33.7Very low32.5Very low179 Ų179128 Ų12884%0.83679%0.793SS**  trans99.298.6149.1-121.8170.9-9.300119.1
564A26.6Very low31.6Very low102 Ų102130 Ų13084%0.84379%0.791SS**  trans-63150.7158.900000112.5
565G28.5Very low31.6Very low65 Ų65132.7 Ų132.767%0.6780%0.796SS**  trans137.6100.8159.600000113.2
566F34.1Very low31.6Very low215 Ų215131.5 Ų131.594%0.94380%0.796SS**  168.3126.4104.8-103.4-88.6000110
567V28.3Very low31.9Very low144 Ų144135.8 Ų135.887%0.87380%0.803SS**  trans-74.8120.5171.8-179.10000107.5
568G33.6Very low31.6Very low70 Ų70137.4 Ų137.472%0.72281%0.805SS**  trans-126.6117.9172.900000109.9
569P33.7Very low31.7Very low125 Ų125138.1 Ų138.181%0.81280%0.801SS**  trans-91.4127.4176.233.5-26.9000109.6
570A34.3Very low32Very low104 Ų104140 Ų14086%0.8681%0.811SS**  trans-143.5121.8163.400000110
571S29.9Very low32.1Very low106 Ų106133.2 Ų133.274%0.74180%0.803SS**  trans-73.2152.5-176.3460000113.9
572S26.4Very low32.4Very low112 Ų112137.2 Ų137.278%0.78382%0.815SS**  trans58.4109.614163.30000119.8
573A31.7Very low32.6Very low80 Ų80132.6 Ų132.666%0.66181%0.81SS**  trans-171.6117.3131.400000112.7
574Q27Very low32.6Very low173 Ų173132.5 Ų132.581%0.80881%0.812SS**  trans48.2107.8134.6-72.2148-53.400120.1
575Y31.6Very low33.2Very low224 Ų224132.6 Ų132.688%0.87880%0.804SS**  -140.8127.8129.9-82.4-76000110.7
576P35.2Very low33.7Very low119 Ų119135.8 Ų135.877%0.77381%0.813SS**  trans-86.3127.2178.531.5-29.4000111.3
577M38Very low34Very low179 Ų179131.6 Ų131.688%0.88281%0.805SS**  trans-105.5121.2167.3-74-69.2171.900109
578N34.6Very low34.1Very low156 Ų156128 Ų12883%0.83480%0.797SS**  trans-83.1126-179.2-173.37.6000110.4
579P35Very low34.3Very low110 Ų110135 Ų13571%0.71480%0.804SS**  trans-91.6125.7178.732.8-29.4000112
580A36.8Very low34.1Very low104 Ų104133 Ų13386%0.8681%0.805SS**  trans-107.395.7163.800000108.8
581A35.8Very low34.2Very low93 Ų93135.5 Ų135.577%0.76980%0.803SS**PPolyproline II helixtrans-79.3122.4172.100000109.5
582M36.9Very low34.4Very low195 Ų195136.2 Ų136.296%0.96181%0.805SS**PPolyproline II helixtrans-96126.6163.7-78.2-156.2165.500110.1
583T32.7Very low34.6Very low129 Ų129136 Ų13679%0.79181%0.809SS**PPolyproline II helixtrans-79.8128.2-171.346.90000112
584M34.6Very low34.6Very low177 Ų177135.9 Ų135.987%0.87282%0.816SS**  trans-131.1136.9158.1-74-103.679.500108.9
585P37.5Very low34.9Very low105 Ų105132.4 Ų132.468%0.68282%0.817SS**PPolyproline II helixtrans-84.8151.1-16633.6-33.9000113.2
586P40.5Very low35.1Very low131 Ų131127.5 Ų127.585%0.85181%0.812SS**PPolyproline II helixtrans-86.4135.9-175.933-31.6000112.3
587V38.9Very low35Very low127 Ų127130.5 Ų130.577%0.7782%0.818SS**PPolyproline II helixtrans-83.7116.7173.3-166.10000108.2Y589V587-Y589 HydrophobicContact CG1-CD2 4.45Å; V587-Y589 HydrophobicContact CG1-CE2 4.15Å
588G31.6Very low35.2Very low70 Ų70131 Ų13172%0.72282%0.818SS**PPolyproline II helixtrans-78.7123.6179.200000112.2
589Y36.6Very low35.1Very low217 Ų217127.1 Ų127.185%0.85181%0.814SS**  trans-125.7107.4156.1-82.2-84.7000107.9V587V587-Y589 HydrophobicContact CG1-CD2 4.45Å; V587-Y589 HydrophobicContact CG1-CE2 4.15Å
590G30.1Very low35Very low82 Ų82130.7 Ų130.785%0.84582%0.824SS**  trans-81.1129.6169.900000110.2
591I36.3Very low35.2Very low157 Ų157131.4 Ų131.481%0.80582%0.82SS**  trans-129.7137.1161.6-63.8-175.8000107.3
592P34.8Very low35.2Very low121 Ų121135.9 Ų135.979%0.78683%0.827SS**  trans-82.7151.4-160.4-4.223.6000113.3
593A31.3Very low35Very low107 Ų107134.2 Ų134.288%0.88482%0.822SS**  trans-73.8149.4175.100000113.5
594G30.3Very low35.1Very low78 Ų78132.8 Ų132.880%0.80482%0.823SS**  trans118.8101.2138.900000117.1
595A33.6Very low34.9Very low99 Ų99135 Ų13582%0.81882%0.824SS**  -177.2148.5120.900000110.8
596P35.7Very low34.7Very low121 Ų121134.6 Ų134.679%0.78683%0.829SS**  trans-102.2158.3-153.537-29.3000115.4
597M34.4Very low34.2Very low182 Ų182134.9 Ų134.990%0.89783%0.829SS**  trans-36.9120.8170.2-60.7-88102.900114.7
598H41.5Very low34.1Very low191 Ų191135.1 Ų135.188%0.88483%0.83SS**PPolyproline II helixtrans-98.3129.7157.8-94-38000110
599G32.4Very low34.3Very low73 Ų73137.1 Ų137.175%0.75383%0.831SS**PPolyproline II helixtrans-66.6149.3-170.100000114.6
600M33.5Very low34.3Very low186 Ų186133 Ų13392%0.91683%0.83SS**PPolyproline II helixtrans-77.4131.6175-65.1-152.8159.500111.3
601P40.2Very low34.5Very low119 Ų119134.4 Ų134.477%0.77382%0.823SS**PPolyproline II helixtrans-79.2130.3169.929.5-28.7000110.6N603P601-N603 PolarHBondContact O-N 3.42Å
602M35.6Very low34.3Very low187 Ų187134.3 Ų134.392%0.92182%0.824SS**PPolyproline II helixtrans-63.1125.1172.4-72.7-77.2-17100110.4A604M602-A604 PolarHBondContact O-N 3.21Å
603N33.9Very low34.3Very low159 Ų159138.3 Ų138.385%0.8583%0.825SS**  trans-66.2113.1172.6-96.9-14.8000110.1P601P601-N603 PolarHBondContact O-N 3.42Å
604A32.9Very low34.4Very low99 Ų99136.5 Ų136.582%0.81882%0.816SS**  trans-75.9125.9171.200000110.1M602 A606M602-A604 PolarHBondContact O-N 3.21Å; A604-A606 PolarHBondContact O-N 3.36Å
605Y31.2Very low34.4Very low224 Ų224141 Ų14188%0.87882%0.82SS**  trans-62.6113.7173.1-70.7-94.2000110.3T607Y605-T607 PolarHBondContact O-N 2.91Å
606A33.3Very low34.6Very low97 Ų97141.8 Ų141.880%0.80282%0.82SS**  trans-80.5109.1171.500000109.7A604A604-A606 PolarHBondContact O-N 3.36Å
607T31.2Very low34.4Very low137 Ų137139.5 Ų139.584%0.8482%0.818SS**  trans-72114.917044.80000110.5Y605Y605-T607 PolarHBondContact O-N 2.91Å
608T35.4Very low34.5Very low131 Ų131139.8 Ų139.880%0.80482%0.817SS**PPolyproline II helixtrans-94.2141.7168.448.10000111.5
609P35.2Very low33.9Very low112 Ų112140.4 Ų140.473%0.72782%0.82SS**PPolyproline II helixtrans-84.7163.7-171.27.810.3000114.1
610P36.7Very low34.2Very low130 Ų130142.4 Ų142.484%0.84482%0.82SS**PPolyproline II helixtrans-80.1135.6-170.930.9-32.5000113.2
611V35.7Very low34.3Very low113 Ų113138.4 Ų138.469%0.68582%0.816SS**PPolyproline II helixtrans-91.2117.9175.4-175.50000109.5Y613V611-Y613 HydrophobicContact CB-CE2 4.37Å; V611-Y613 HydrophobicContact CG1-CD2 3.69Å; V611-Y613 HydrophobicContact CG1-CE2 3.35Å
612N30.5Very low34.2Very low155 Ų155139 Ų13983%0.82982%0.818SS**  trans-83.8106.3177.3-177.633.1000109.8
613Y35.9Very low34.4Very low205 Ų205135.7 Ų135.780%0.80481%0.81SS**  trans-101.5110.2169.8-84.5-78.7000110V611V611-Y613 HydrophobicContact CB-CE2 4.37Å; V611-Y613 HydrophobicContact CG1-CD2 3.69Å; V611-Y613 HydrophobicContact CG1-CE2 3.35Å
614G32.7Very low34.6Very low68 Ų68132.8 Ų132.870%0.70181%0.808SS**  trans-68.8139.7175.300000112.5
615I31.8Very low34.7Very low173 Ų173137.1 Ų137.189%0.88781%0.811SS**  trans-78.4115.9175-65169.1000108.4
616S36Very low35.1Very low116 Ų116131.1 Ų131.181%0.81181%0.808SS**  trans-131.5105.3162.158.40000109
617G31.8Very low35.2Very low73 Ų73135.3 Ų135.375%0.75381%0.811SS**  trans-76133.9175.700000112
618Q36.5Very low35.7Very low188 Ų188134.8 Ų134.888%0.87981%0.81SS**  trans-144.4111.7155.8-93.5176.9-8.300107.4P620Q618-P620 WeakPolarHBondContact O-CD 3.42Å
619Q29.6Very low35.9Very low203 Ų203133.4 Ų133.495%0.94981%0.812SS**PPolyproline II helixtrans-72.6131.8172-74.9172.8-49.200110.3
620P39.5Very low36.1Very low115 Ų115132.2 Ų132.275%0.74781%0.812SS**PPolyproline II helixtrans-103.7138154.56.315000110Q618Q618-P620 WeakPolarHBondContact O-CD 3.42Å
621A34.6Very low36.6Very low102 Ų102132 Ų13284%0.84381%0.81SS**PPolyproline II helixtrans-64137.3-178.800000112.9
622V37.4Very low36.8Very low132 Ų132136 Ų13680%0.882%0.821SS**PPolyproline II helixtrans-83.4126.3177.4-176.80000109.6
623P41.3Very low37.4Very low117 Ų117137 Ų13776%0.7682%0.821SS**PPolyproline II helixtrans-74.9136.5168-9.826.3000110.7
624A36.6Very low38Very low99 Ų99133 Ų13382%0.81882%0.821SS**PPolyproline II helixtrans-61.9138.5-175.900000113.6A626A624-A626 PolarHBondContact O-N 3.33Å
625H36.9Very low38.4Very low189 Ų189138 Ų13888%0.87583%0.83SS**PPolyproline II helixtrans-54.8118.9169.5-82.2-84.6000111.9
626A37.9Very low38.9Very low98 Ų98136.5 Ų136.581%0.8182%0.823SS**PPolyproline II helixtrans-83.9117.1158.500000108.3A624A624-A626 PolarHBondContact O-N 3.33Å
627Q36.2Very low39.1Very low186 Ų186136.3 Ų136.387%0.86982%0.821SS**PPolyproline II helixtrans-68136.6175-77.5178.9-51.100110.7
628P41.8Very low39.4Very low125 Ų125141.6 Ų141.681%0.81282%0.824SS**PPolyproline II helixtrans-74.3130.4174.328.9-30.1000110.4
629A39.6Very low39.7Very low103 Ų103144 Ų14485%0.85184%0.842SS**PPolyproline II helixtrans-64.4135.3176.200000111.2
630A40.3Very low40.2Very low87 Ų87141 Ų14172%0.71984%0.837SS**PPolyproline II helixtrans-70.1144.817700000111.4E632A630-E632 PolarHBondContact O-N 2.99Å
631P46.3Very low40.3Very low126 Ų126142.4 Ų142.482%0.81884%0.842SS**PPolyproline II helixtrans-75.3123.4-17829.2-31.7000111.2
632E40.4Very low40.6Very low195 Ų195144.6 Ų144.691%0.91184%0.842SS**PPolyproline II helixtrans-66.3137.6174-74.4178.6139.400111.4A630A630-E632 PolarHBondContact O-N 2.99Å
633Q41.8Very low40.8Very low176 Ų176145.4 Ų145.482%0.82284%0.844SS**PPolyproline II helixtrans-71144.9-179-68.7-172.6-27.100112.2L635Q633-L635 PolarHBondContact O-N 3.09Å
634P49.7Very low40.7Very low123 Ų123147.1 Ų147.180%0.79985%0.849SS**  trans-75.9112.6178.229.3-30.4000110.7I636P634-I636 PolarHBondContact O-N 3.33Å
635L40.7Very low41Very low172 Ų172150.3 Ų150.390%0.90185%0.852SS**  trans-71.9112.7166.9-85.3157.4000109.2Q633 S637Q633-L635 PolarHBondContact O-N 3.09Å; L635-S637 PolarHBondContact O-N 3.25Å
636I41.4Very low41.3Very low142 Ų142147.6 Ų147.673%0.72885%0.85SS**  trans-65.4112.4168.4-63.7164.4000107.5P634 F638P634-I636 PolarHBondContact O-N 3.33Å; I636-F638 HydrophobicContact CG2-CD2 3.93Å; I636-F638 HydrophobicContact CG2-CE2 3.57Å; I636-F638 HydrophobicContact CG2-CZ 4.17Å
637S40.2Very low41.6Very low112 Ų112151.4 Ų151.478%0.78385%0.853SS**  trans-97.6117.1171.5-173.60000108.7L635L635-S637 PolarHBondContact O-N 3.25Å
638F38.3Very low42Very low184 Ų184148.5 Ų148.581%0.80785%0.852SS**  trans-88.9107.8165.7-73-90.2000107.9I636I636-F638 HydrophobicContact CG2-CD2 3.93Å; I636-F638 HydrophobicContact CG2-CE2 3.57Å; I636-F638 HydrophobicContact CG2-CZ 4.17Å
639D43.8Very low42Very low237 Ų237150.6 Ų150.6100%1.26786%0.855SS**  trans-168.20146.1-96.5-27.6000110

Retrieved 639 of 639 residues in 584.6 ms (Link to these results)

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