A0A087XI90_POEFO Loading...

Serine/threonine kinase 32C

AlphaFold DB , UniProt , Accession A0A087XI90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 322 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
1Q79.1Confident91.2Very high130 Ų13095.5 Ų95.561%0.60746%0.463SS*.  0151.60-177.5175.64.400108.5K17 Y18Q1-K17 CarbonylContact O-C 3.54Å; Q1-K17 WeakPolarHBondContact O-CA 3.39Å; Q1-Y18 PolarHBondContact N-O 3.25Å; Q1-Y18 PolarHBondContact O-N 3.28Å
2V84.2Confident91.3Very high67 Ų6794.9 Ų94.941%0.40646%0.456SS..EExtended strand (participates in β ladder)trans-122.5131.7173.3-177.80000108.3A15 M16 K17 F278V2-A15 HydrophobicContact CG1-CB 4.1Å; V2-M16 CarbonylContact C-O 3.52Å; V2-M16 VanDerWaalsContact CA-O 3.31Å; V2-M16 WeakPolarHBondContact CA-O 3.25Å; V2-K17 HydrophobicContact CG2-CB 4.34Å; V2-K17 HydrophobicContact CG2-CG 4.27Å; V2-F278 HydrophobicContact CB-CE1 4.48Å
3C87.6Confident91.4Very high15 Ų1594.2 Ų94.210%0.10145%0.454CS..EExtended strand (participates in β ladder)trans-128.3154.1175.9-54.60000111.1M16 Y18C3-M16 PolarHBondContact N-O 2.95Å; C3-M16 PolarHBondContact O-N 2.81Å; C3-Y18 HydrophobicContact CB-CE2 3.8Å
4I90.8Very high91.6Very high76 Ų7688.1 Ų88.139%0.3942%0.424SS..EExtended strand (participates in β ladder)trans-79.5131.6171.4-57.8179.9000108.9M13 Y14 L67 L69 L272I4-M13 HydrophobicContact CG2-CE 3.35Å; I4-Y14 WeakPolarHBondContact CA-O 3.1Å; I4-L67 HydrophobicContact CD1-CD1 4.19Å; I4-L67 HydrophobicContact CG1-CD1 3.87Å; I4-L67 HydrophobicContact CG2-CD1 4.35Å; I4-L67 HydrophobicContact CG2-CD2 3.8Å; I4-L69 HydrophobicContact CD1-CD2 4.47Å; I4-L272 HydrophobicContact CD1-CD1 4.02Å; I4-L272 HydrophobicContact CD1-CD2 3.8Å
5V91.3Very high91.7Very high34 Ų3483.1 Ų83.121%0.20640%0.402CS..EExtended strand (participates in β ladder)trans-131.3150.1-179.4-60.20000112M13 Y14 M16V5-M13 CarbonylContact O-C 3.58Å; V5-M13 VanDerWaalsContact O-CA 3.32Å; V5-M13 WeakPolarHBondContact O-CA 3.36Å; V5-Y14 PolarHBondContact N-O 2.83Å; V5-Y14 PolarHBondContact O-N 2.71Å; V5-M16 HydrophobicContact CB-CB 4.5Å; V5-M16 HydrophobicContact CG1-CB 3.77Å; V5-M16 HydrophobicContact CG1-CE 3.81Å; V5-M16 HydrophobicContact CG1-SD 4.27Å; V5-M16 HydrophobicContact CG2-CB 3.86Å
6Q94.1Very high91.9Very high113 Ų11379.1 Ų79.153%0.52838%0.383SS..EExtended strand (participates in β ladder)trans-112127.2173.5-164.3176.828.900110.7R8 E11 M13Q6-R8 PolarHBondContact O-N 3.32Å; Q6-E11 WeakPolarHBondContact CG-O 3.48Å; Q6-E11 PolarHBondContact NE2-O 3.41Å; Q6-M13 HydrophobicContact CB-SD 3.43Å; Q6-M13 WeakPolarHBondContact CB-SD 3.48Å; Q6-M13 HydrophobicContact CG-SD 3.52Å; Q6-M13 VanDerWaalsContact CG-SD 3.52Å
7K95.4Very high91.8Very high56 Ų5676.9 Ų76.924%0.24337%0.371CS..  trans-76.4119.5173.1-178.2167.2-175.3-69.50109.4D9 T10 E11 K12 Y14 Y53K7-D9 WeakPolarHBondContact CE-OD1 3.36Å; K7-D9 WeakPolarHBondContact CG-OD1 3.39Å; K7-D9 IonicContact NZ-OD1 2.72Å; K7-D9 PolarHBondContact NZ-OD1 2.71Å; K7-D9 IonicContact NZ-OD2 2.97Å; K7-D9 PolarHBondContact NZ-OD2 2.93Å; K7-D9 PolarHBondContact O-N 2.66Å; K7-T10 PolarHBondContact O-N 2.87Å; K7-E11 VanDerWaalsContact O-CA 3.25Å; K7-E11 WeakPolarHBondContact O-CA 3.38Å; K7-E11 PolarHBondContact O-N 2.63Å; K7-K12 PolarHBondContact N-O 3.49Å; K7-Y14 HydrophobicContact CB-CD2 4.25Å; K7-Y14 HydrophobicContact CB-CE2 3.74Å; K7-Y14 HydrophobicContact CD-CE2 4.22Å; K7-Y53 HydrophobicContact CD-CE2 4.03Å; K7-Y53 WeakPolarHBondContact CE-OH 3.12Å
8R95.6Very high91.7Very high220 Ų22076.4 Ų76.483%0.8337%0.366SS*.THydrogen-bonded Turntrans-63.5-34.8-165-69.6-177178.7179.3-0.7115.7Q6Q6-R8 PolarHBondContact O-N 3.32Å
9D95.9Very high91.6Very high122 Ų12273.3 Ų73.365%0.65235%0.351SS*.THydrogen-bonded Turntrans-85.9-25.2-175.457.6-42.1000113K7K7-D9 WeakPolarHBondContact CE-OD1 3.36Å; K7-D9 WeakPolarHBondContact CG-OD1 3.39Å; K7-D9 IonicContact NZ-OD1 2.72Å; K7-D9 PolarHBondContact NZ-OD1 2.71Å; K7-D9 IonicContact NZ-OD2 2.97Å; K7-D9 PolarHBondContact NZ-OD2 2.93Å; K7-D9 PolarHBondContact O-N 2.66Å
10T95.9Very high91.7Very high74 Ų7471.7 Ų71.745%0.45434%0.344SS..THydrogen-bonded Turntrans-110.4-9.2-179.958.90000113.8K7 K12K7-T10 PolarHBondContact O-N 2.87Å; T10-K12 PolarHBondContact O-N 3.45Å
11E93.1Very high91.7Very high144 Ų14470.7 Ų70.767%0.67334%0.339SS*.  trans57.17.5-172.1-60.5-173.2165.300114.8Q6 K7Q6-E11 WeakPolarHBondContact CG-O 3.48Å; Q6-E11 PolarHBondContact NE2-O 3.41Å; K7-E11 VanDerWaalsContact O-CA 3.25Å; K7-E11 WeakPolarHBondContact O-CA 3.38Å; K7-E11 PolarHBondContact O-N 2.63Å
12K92.7Very high92.3Very high88 Ų8869.6 Ų69.638%0.38333%0.333SS..  trans-72.1136.7179.6-174.8167.8169.5-173.90110.5K7 T10 Y14K7-K12 PolarHBondContact N-O 3.49Å; T10-K12 PolarHBondContact O-N 3.45Å; K12-Y14 HydrophobicContact CB-CE2 3.81Å; K12-Y14 HydrophobicContact CD-CE1 4.22Å; K12-Y14 HydrophobicContact CD-CE2 4.27Å; K12-Y14 WeakPolarHBondContact CD-OH 3.43Å; K12-Y14 HydrophobicContact CG-CD2 4.49Å; K12-Y14 HydrophobicContact CG-CE1 4.36Å; K12-Y14 HydrophobicContact CG-CE2 3.75Å; K12-Y14 WeakPolarHBondContact O-CD2 3.13Å; K12-Y14 WeakPolarHBondContact O-CE2 3.33Å
13M92.1Very high92.6Very high86 Ų8671.1 Ų71.142%0.42434%0.336SS..EExtended strand (participates in β ladder)trans-91.4145.9179.4-60.9-66.9-77.200111.1I4 V5 Q6 L67I4-M13 HydrophobicContact CG2-CE 3.35Å; V5-M13 CarbonylContact O-C 3.58Å; V5-M13 VanDerWaalsContact O-CA 3.32Å; V5-M13 WeakPolarHBondContact O-CA 3.36Å; Q6-M13 HydrophobicContact CB-SD 3.43Å; Q6-M13 WeakPolarHBondContact CB-SD 3.48Å; Q6-M13 HydrophobicContact CG-SD 3.52Å; Q6-M13 VanDerWaalsContact CG-SD 3.52Å; M13-L67 HydrophobicContact CB-CD2 3.65Å
14Y94.4Very high92.7Very high8 Ų871 Ų713%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-144.6164.9-178.9-60.5-89.2000110.9I4 V5 K7 K12 W52 Y53 V64I4-Y14 WeakPolarHBondContact CA-O 3.1Å; V5-Y14 PolarHBondContact N-O 2.83Å; V5-Y14 PolarHBondContact O-N 2.71Å; K7-Y14 HydrophobicContact CB-CD2 4.25Å; K7-Y14 HydrophobicContact CB-CE2 3.74Å; K7-Y14 HydrophobicContact CD-CE2 4.22Å; K12-Y14 HydrophobicContact CB-CE2 3.81Å; K12-Y14 HydrophobicContact CD-CE1 4.22Å; K12-Y14 HydrophobicContact CD-CE2 4.27Å; K12-Y14 WeakPolarHBondContact CD-OH 3.43Å; K12-Y14 HydrophobicContact CG-CD2 4.49Å; K12-Y14 HydrophobicContact CG-CE1 4.36Å; K12-Y14 HydrophobicContact CG-CE2 3.75Å; K12-Y14 WeakPolarHBondContact O-CD2 3.13Å; K12-Y14 WeakPolarHBondContact O-CE2 3.33Å; Y14-W52 HydrophobicContact CD1-CB 4.43Å; Y14-W52 AromaticContact CD1-CD1 3.94Å; Y14-W52 HydrophobicContact CD1-CG 4.06Å; Y14-W52 HydrophobicContact CE1-CB 4.06Å; Y14-W52 AromaticContact CE1-CD1 3.77Å; Y14-W52 AromaticContact CE1-CD2 3.74Å; Y14-W52 HydrophobicContact CE1-CD2 3.74Å; Y14-W52 HydrophobicContact CE1-CE3 4.36Å; Y14-W52 AromaticContact CE1-CG 3.56Å; Y14-W52 HydrophobicContact CE1-CG 3.56Å; Y14-Y53 HydrophobicContact CE1-CE2 4.22Å; Y14-Y53 HydrophobicContact CE2-CE2 4.32Å; Y14-Y53 AromaticContact CZ-CE2 3.92Å; Y14-Y53 PolarHBondContact OH-OH 2.86Å; Y14-V64 VanDerWaalsContact CB-CG1 3.4Å; Y14-V64 HydrophobicContact CD1-CG1 3.88Å; Y14-V64 HydrophobicContact CD2-CG1 4.28Å; Y14-V64 HydrophobicContact CG-CG1 3.61Å
15A94Very high92.8Very high13 Ų1372.5 Ų72.511%0.10734%0.343CS..EExtended strand (participates in β ladder)trans-96.9135.5163.200000109.2V2 V64 V65 L67V2-A15 HydrophobicContact CG1-CB 4.1Å; A15-V64 CarbonylContact O-C 3.53Å; A15-V64 WeakPolarHBondContact O-CA 3.32Å; A15-V65 HydrophobicContact CB-CG2 3.96Å; A15-V65 PolarHBondContact N-O 3.32Å; A15-V65 VanDerWaalsContact N-O 3.08Å; A15-V65 PolarHBondContact O-N 3.09Å; A15-L67 HydrophobicContact CB-CD1 4.16Å
16M94Very high92.8Very high20 Ų2077.4 Ų77.410%0.09936%0.364CS..EExtended strand (participates in β ladder)trans-121118.9178.8-172165.877.200110.9V2 C3 V5 Y18 F55 F62 M63 V64V2-M16 CarbonylContact C-O 3.52Å; V2-M16 VanDerWaalsContact CA-O 3.31Å; V2-M16 WeakPolarHBondContact CA-O 3.25Å; C3-M16 PolarHBondContact N-O 2.95Å; C3-M16 PolarHBondContact O-N 2.81Å; V5-M16 HydrophobicContact CB-CB 4.5Å; V5-M16 HydrophobicContact CG1-CB 3.77Å; V5-M16 HydrophobicContact CG1-CE 3.81Å; V5-M16 HydrophobicContact CG1-SD 4.27Å; V5-M16 HydrophobicContact CG2-CB 3.86Å; M16-Y18 HydrophobicContact CB-CE2 4.33Å; M16-Y18 HydrophobicContact CE-CE1 3.77Å; M16-Y18 HydrophobicContact CE-CE2 3.6Å; M16-Y18 WeakPolarHBondContact CE-OH 3.4Å; M16-Y18 HydrophobicContact CG-CE2 4.26Å; M16-Y18 WeakPolarHBondContact O-CD2 3.37Å; M16-Y18 WeakPolarHBondContact O-CE2 3.5Å; M16-F55 HydrophobicContact SD-CZ 3.78Å; M16-F62 HydrophobicContact CE-CD1 4.04Å; M16-F62 HydrophobicContact CE-CE1 4.49Å; M16-F62 HydrophobicContact CG-CB 4.41Å; M16-F62 HydrophobicContact CG-CD1 4.48Å; M16-F62 HydrophobicContact SD-CB 4.31Å; M16-F62 HydrophobicContact SD-CD1 4.13Å; M16-M63 CarbonylContact C-O 3.59Å; M16-M63 VanDerWaalsContact CA-O 3.3Å; M16-M63 WeakPolarHBondContact CA-O 3.47Å; M16-V64 HydrophobicContact CB-CG2 4.44Å; M16-V64 HydrophobicContact CG-CG2 3.97Å; M16-V64 HydrophobicContact SD-CG2 3.93Å
17K91Very high92.4Very high41 Ų4180.2 Ų80.218%0.17837%0.369CS..EExtended strand (participates in β ladder)trans-88.4125.3175.7-171.1-178.3-176.8-173.50109.7Q1 V2 M19 E36 F62 M63 N131Q1-K17 CarbonylContact O-C 3.54Å; Q1-K17 WeakPolarHBondContact O-CA 3.39Å; V2-K17 HydrophobicContact CG2-CB 4.34Å; V2-K17 HydrophobicContact CG2-CG 4.27Å; K17-M19 HydrophobicContact CD-SD 4.35Å; K17-M19 HydrophobicContact CG-CG 4.4Å; K17-E36 IonicContact NZ-OE1 3.73Å; K17-E36 PolarHBondContact NZ-OE1 3.15Å; K17-E36 IonicContact NZ-OE2 3.91Å; K17-E36 PolarHBondContact NZ-OE2 3.16Å; K17-F62 WeakPolarHBondContact O-CA 3.44Å; K17-M63 HydrophobicContact CB-CB 4.34Å; K17-M63 PolarHBondContact N-O 2.72Å; K17-M63 PolarHBondContact O-N 3.26Å; K17-N131 PolarHBondContact NZ-OD1 3.24Å
18Y90.2Very high92Very high68 Ų6883.4 Ų83.427%0.26739%0.389SS..EExtended strand (participates in β ladder)trans-102.7127.3177-63.6-111.5000109.8Q1 C3 M16 F62Q1-Y18 PolarHBondContact N-O 3.25Å; Q1-Y18 PolarHBondContact O-N 3.28Å; C3-Y18 HydrophobicContact CB-CE2 3.8Å; M16-Y18 HydrophobicContact CB-CE2 4.33Å; M16-Y18 HydrophobicContact CE-CE1 3.77Å; M16-Y18 HydrophobicContact CE-CE2 3.6Å; M16-Y18 WeakPolarHBondContact CE-OH 3.4Å; M16-Y18 HydrophobicContact CG-CE2 4.26Å; M16-Y18 WeakPolarHBondContact O-CD2 3.37Å; M16-Y18 WeakPolarHBondContact O-CE2 3.5Å; Y18-F62 AromaticContact CD1-CD1 3.8Å; Y18-F62 HydrophobicContact CD1-CD1 3.8Å; Y18-F62 AromaticContact CD1-CE1 3.42Å; Y18-F62 HydrophobicContact CD1-CE1 3.42Å; Y18-F62 VanDerWaalsContact CD1-CE1 3.42Å; Y18-F62 HydrophobicContact CE1-CD1 4.03Å; Y18-F62 AromaticContact CE1-CE1 3.58Å; Y18-F62 HydrophobicContact CE1-CE1 3.58Å; Y18-F62 HydrophobicContact CG-CD1 4.31Å; Y18-F62 HydrophobicContact CG-CE1 4.34Å
19M89.6Confident91.7Very high18 Ų1876.9 Ų76.99%0.08937%0.368CS..EExtended strand (participates in β ladder)trans-128.4112177.9-64.6161.2-74.900109.5K17 K21 V33 D60 M61 M63K17-M19 HydrophobicContact CD-SD 4.35Å; K17-M19 HydrophobicContact CG-CG 4.4Å; M19-K21 PolarHBondContact O-N 3.29Å; M19-V33 HydrophobicContact CE-CG1 4.22Å; M19-V33 HydrophobicContact SD-CB 4.34Å; M19-V33 HydrophobicContact SD-CG1 3.51Å; M19-V33 VanDerWaalsContact SD-CG1 3.51Å; M19-V33 HydrophobicContact SD-CG2 3.92Å; M19-D60 WeakPolarHBondContact O-CA 3.32Å; M19-M61 HydrophobicContact CB-CB 4.39Å; M19-M61 HydrophobicContact CB-CE 4.37Å; M19-M61 HydrophobicContact CE-CB 4.25Å; M19-M61 PolarHBondContact N-O 3.46Å; M19-M61 PolarHBondContact O-N 3.3Å; M19-M63 HydrophobicContact CE-CB 4.36Å; M19-M63 HydrophobicContact CE-CE 3.74Å; M19-M63 HydrophobicContact CE-CG 3.64Å; M19-M63 HydrophobicContact CE-SD 3.9Å; M19-M63 HydrophobicContact SD-CE 4.14Å
20N92.6Very high91.3Very high41 Ų4173.1 Ų73.122%0.21935%0.349CS..EExtended strand (participates in β ladder)trans-75124.5-178.8-176.9-93.9000111.4Q22 Q23 C24 E59 D60N20-Q22 PolarHBondContact O-N 3.28Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.29Å; N20-Q22 PolarHBondContact OD1-N 2.82Å; N20-Q23 HydrophobicContact CB-CB 4.1Å; N20-Q23 HydrophobicContact CB-CG 4.06Å; N20-Q23 PolarHBondContact O-N 3.48Å; N20-Q23 PolarHBondContact OD1-N 3.08Å; N20-Q23 VanDerWaalsContact OD1-N 3.08Å; N20-C24 PolarHBondContact O-N 2.82Å; N20-C24 PolarHBondContact O-SG 3.35Å; N20-E59 PolarHBondContact ND2-O 3.18Å; N20-D60 WeakPolarHBondContact CA-OD1 3.33Å; N20-D60 WeakPolarHBondContact CB-OD1 3.35Å; N20-D60 PolarHBondContact ND2-OD1 3.12Å
21K92.1Very high90.9Very high51 Ų5178.5 Ų78.522%0.22236%0.361CS..Hα-helixtrans-61.1-43.4-173.6-69.8175.8172.5-175.10112.7M19 C24 I25 Q56 D57 E59 M61M19-K21 PolarHBondContact O-N 3.29Å; K21-C24 PolarHBondContact O-N 3Å; K21-I25 VanDerWaalsContact O-CG1 3.31Å; K21-I25 WeakPolarHBondContact O-CG1 3.31Å; K21-I25 PolarHBondContact O-N 2.88Å; K21-Q56 VanDerWaalsContact CE-OE1 3.31Å; K21-D57 WeakPolarHBondContact CE-O 3.3Å; K21-D57 PolarHBondContact NZ-O 2.93Å; K21-E59 WeakPolarHBondContact CB-O 3.34Å; K21-E59 WeakPolarHBondContact CG-O 3.37Å; K21-E59 PolarHBondContact N-O 2.86Å; K21-M61 HydrophobicContact CG-CG 4.08Å
22Q92.5Very high90.5Very high107 Ų10773.8 Ų73.850%0.534%0.341SS..Hα-helixtrans-64.5-44.8-179.7-175.661.330.200110.8N20 C24 I25 E26N20-Q22 PolarHBondContact O-N 3.28Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.29Å; N20-Q22 PolarHBondContact OD1-N 2.82Å; Q22-C24 PolarHBondContact O-N 3.09Å; Q22-I25 PolarHBondContact O-N 3.17Å; Q22-E26 WeakPolarHBondContact CG-OE1 3.24Å; Q22-E26 PolarHBondContact NE2-OE1 2.81Å; Q22-E26 WeakPolarHBondContact O-CG 3.43Å; Q22-E26 PolarHBondContact O-N 2.72Å
23Q90.6Very high90.4Very high99 Ų9970.2 Ų70.246%0.46333%0.326SS..Hα-helixtrans-64.5-38.4176.1-66.8178.55.600112.6N20 I25 E26 R27N20-Q23 HydrophobicContact CB-CB 4.1Å; N20-Q23 HydrophobicContact CB-CG 4.06Å; N20-Q23 PolarHBondContact O-N 3.48Å; N20-Q23 PolarHBondContact OD1-N 3.08Å; N20-Q23 VanDerWaalsContact OD1-N 3.08Å; Q23-I25 VanDerWaalsContact C-N 3.31Å; Q23-I25 PolarHBondContact O-N 3.04Å; Q23-E26 PolarHBondContact O-N 3.19Å; Q23-R27 WeakPolarHBondContact O-CB 3.31Å; Q23-R27 VanDerWaalsContact O-CG 3.32Å; Q23-R27 WeakPolarHBondContact O-CG 3.25Å; Q23-R27 PolarHBondContact O-N 3.23Å; Q23-R27 VanDerWaalsContact O-N 3.07Å
24C89.6Confident90.3Very high13 Ų1370.6 Ų70.69%0.08833%0.326CS..Hα-helixtrans-62.1-39.7175.3-70.20000111.7N20 K21 Q22 D28 E29 V30N20-C24 PolarHBondContact O-N 2.82Å; N20-C24 PolarHBondContact O-SG 3.35Å; K21-C24 PolarHBondContact O-N 3Å; Q22-C24 PolarHBondContact O-N 3.09Å; C24-D28 PolarHBondContact O-N 3.2Å; C24-E29 PolarHBondContact O-N 3.24Å; C24-V30 HydrophobicContact CB-CG2 3.95Å
25I91.4Very high90.1Very high107 Ų10774.4 Ų74.455%0.54934%0.34SS..Hα-helixtrans-67.6-47.2176.5-67.1163.7000110.7K21 Q22 Q23 R27 D28 V30K21-I25 VanDerWaalsContact O-CG1 3.31Å; K21-I25 WeakPolarHBondContact O-CG1 3.31Å; K21-I25 PolarHBondContact O-N 2.88Å; Q22-I25 PolarHBondContact O-N 3.17Å; Q23-I25 VanDerWaalsContact C-N 3.31Å; Q23-I25 PolarHBondContact O-N 3.04Å; I25-R27 PolarHBondContact O-N 2.8Å; I25-D28 PolarHBondContact O-N 3.35Å; I25-D28 VanDerWaalsContact O-N 3.13Å; I25-V30 HydrophobicContact CB-CG2 4.47Å; I25-V30 HydrophobicContact CG1-CG2 3.78Å
26E91.5Very high90.1Very high136 Ų13674.1 Ų74.164%0.63634%0.337SS*.Hα-helixtrans-61.2-28.8-179.4-74.4169.9-173.700113.1Q22 Q23Q22-E26 WeakPolarHBondContact CG-OE1 3.24Å; Q22-E26 PolarHBondContact NE2-OE1 2.81Å; Q22-E26 WeakPolarHBondContact O-CG 3.43Å; Q22-E26 PolarHBondContact O-N 2.72Å; Q23-E26 PolarHBondContact O-N 3.19Å
27R86.2Confident90Very high173 Ų17374.7 Ų74.765%0.65334%0.34SS*.THydrogen-bonded Turntrans-97.40.6179.1-63.2178.1-176.7-173.31.7114.1Q23 I25 E29Q23-R27 WeakPolarHBondContact O-CB 3.31Å; Q23-R27 VanDerWaalsContact O-CG 3.32Å; Q23-R27 WeakPolarHBondContact O-CG 3.25Å; Q23-R27 PolarHBondContact O-N 3.23Å; Q23-R27 VanDerWaalsContact O-N 3.07Å; I25-R27 PolarHBondContact O-N 2.8Å; R27-E29 HydrophobicContact CB-CB 4.45Å; R27-E29 HydrophobicContact CB-CG 3.74Å; R27-E29 PolarHBondContact O-N 2.97Å
28D87.9Confident90.2Very high123 Ų12378.2 Ų78.266%0.65836%0.357SS*.THydrogen-bonded Turntrans56.230.3-173.4-159.533.1000114.1C24 I25C24-D28 PolarHBondContact O-N 3.2Å; I25-D28 PolarHBondContact O-N 3.35Å; I25-D28 VanDerWaalsContact O-N 3.13Å
29E87.8Confident90.5Very high82 Ų8275.1 Ų75.138%0.38335%0.345SS..  trans-92.7-4.9-176.4-70.9-63.4158.900113.3C24 R27 R31 N32 V33C24-E29 PolarHBondContact O-N 3.24Å; R27-E29 HydrophobicContact CB-CB 4.45Å; R27-E29 HydrophobicContact CB-CG 3.74Å; R27-E29 PolarHBondContact O-N 2.97Å; E29-R31 PolarHBondContact O-N 3.15Å; E29-N32 PolarHBondContact O-N 3.37Å; E29-N32 PolarHBondContact OE2-ND2 2.68Å; E29-V33 PolarHBondContact O-N 2.84Å
30V88Confident90.8Very high43 Ų4374.7 Ų74.726%0.26134%0.343SS..Hα-helixtrans-53.8-43.2-175.51790000111.5C24 I25 N32 V33 F34C24-V30 HydrophobicContact CB-CG2 3.95Å; I25-V30 HydrophobicContact CB-CG2 4.47Å; I25-V30 HydrophobicContact CG1-CG2 3.78Å; V30-N32 VanDerWaalsContact C-N 3.35Å; V30-N32 PolarHBondContact O-N 3.42Å; V30-V33 PolarHBondContact O-N 2.97Å; V30-F34 HydrophobicContact CG1-CD2 3.71Å; V30-F34 HydrophobicContact CG1-CE2 3.54Å; V30-F34 WeakPolarHBondContact O-CD2 3.35Å; V30-F34 PolarHBondContact O-N 3.17Å; V30-F34 VanDerWaalsContact O-N 3.1Å
31R87.8Confident91Very high187 Ų18777.9 Ų77.971%0.70636%0.356SS*.Hα-helixtrans-65.7-36.7179.2-68.3-178.4177.8174.31.1112.7E29 R35E29-R31 PolarHBondContact O-N 3.15Å; R31-R35 WeakPolarHBondContact O-CB 3.44Å; R31-R35 PolarHBondContact O-N 3.28Å
32N85.6Confident91.2Very high46 Ų4682.7 Ų82.725%0.24638%0.38CS..Hα-helixtrans-70-40.3179.3-65.5-23.8000110.4E29 V30 R35 E36E29-N32 PolarHBondContact O-N 3.37Å; E29-N32 PolarHBondContact OE2-ND2 2.68Å; V30-N32 VanDerWaalsContact C-N 3.35Å; V30-N32 PolarHBondContact O-N 3.42Å; N32-R35 PolarHBondContact O-N 2.91Å; N32-R35 PolarHBondContact OD1-NH1 3.44Å; N32-E36 WeakPolarHBondContact O-CB 3.45Å; N32-E36 PolarHBondContact O-N 2.67Å
33V88.8Confident91.4Very high12 Ų1278.1 Ų78.17%0.07336%0.359CS..Hα-helixtrans-61.5-46.1175.1174.20000112.1M19 E29 V30 E36 L37 M61 M63M19-V33 HydrophobicContact CE-CG1 4.22Å; M19-V33 HydrophobicContact SD-CB 4.34Å; M19-V33 HydrophobicContact SD-CG1 3.51Å; M19-V33 VanDerWaalsContact SD-CG1 3.51Å; M19-V33 HydrophobicContact SD-CG2 3.92Å; E29-V33 PolarHBondContact O-N 2.84Å; V30-V33 PolarHBondContact O-N 2.97Å; V33-E36 PolarHBondContact O-N 2.82Å; V33-L37 WeakPolarHBondContact O-CB 2.97Å; V33-L37 PolarHBondContact O-N 2.98Å; V33-M61 HydrophobicContact CB-CE 4.33Å; V33-M61 HydrophobicContact CG1-CE 3.67Å; V33-M61 HydrophobicContact CG1-SD 4.24Å; V33-M63 HydrophobicContact CG1-CE 4.11Å
34F90Very high91.8Very high95 Ų9580.5 Ų80.542%0.41737%0.37SS..Hα-helixtrans-65.8-39.9177.2-79.6-67.6000112.1V30 L37 E38 M61V30-F34 HydrophobicContact CG1-CD2 3.71Å; V30-F34 HydrophobicContact CG1-CE2 3.54Å; V30-F34 WeakPolarHBondContact O-CD2 3.35Å; V30-F34 PolarHBondContact O-N 3.17Å; V30-F34 VanDerWaalsContact O-N 3.1Å; F34-L37 PolarHBondContact O-N 2.79Å; F34-E38 WeakPolarHBondContact O-CB 3.44Å; F34-E38 VanDerWaalsContact O-CG 3.31Å; F34-E38 WeakPolarHBondContact O-CG 3.39Å; F34-E38 PolarHBondContact O-N 3.21Å; F34-M61 HydrophobicContact CZ-SD 4.41Å
35R91Very high92.2Very high88 Ų8880.5 Ų80.533%0.33237%0.369SS..Hα-helixtrans-63-44.5175.4-174.5-173.9-61.4123.52.8111.9R31 N32 L37 E38 I39 A133R31-R35 WeakPolarHBondContact O-CB 3.44Å; R31-R35 PolarHBondContact O-N 3.28Å; N32-R35 PolarHBondContact O-N 2.91Å; N32-R35 PolarHBondContact OD1-NH1 3.44Å; R35-L37 VanDerWaalsContact C-N 3.29Å; R35-L37 PolarHBondContact O-N 3.03Å; R35-E38 PolarHBondContact O-N 3.04Å; R35-I39 HydrophobicContact CG-CD1 4.03Å; R35-I39 WeakPolarHBondContact O-CG1 3.26Å; R35-I39 PolarHBondContact O-N 3.34Å; R35-A133 WeakPolarHBondContact CD-O 3.35Å
36E93.3Very high92.5Very high7 Ų777.7 Ų77.73%0.03336%0.356CS..Hα-helixtrans-57.4-46.4175.3-176.9-171.2-158.600110K17 N32 V33 I39 L40 M63 F130 N131K17-E36 IonicContact NZ-OE1 3.73Å; K17-E36 PolarHBondContact NZ-OE1 3.15Å; K17-E36 IonicContact NZ-OE2 3.91Å; K17-E36 PolarHBondContact NZ-OE2 3.16Å; N32-E36 WeakPolarHBondContact O-CB 3.45Å; N32-E36 PolarHBondContact O-N 2.67Å; V33-E36 PolarHBondContact O-N 2.82Å; E36-I39 PolarHBondContact O-N 2.87Å; E36-L40 HydrophobicContact CG-CD1 3.82Å; E36-L40 HydrophobicContact CG-CG 4.38Å; E36-L40 WeakPolarHBondContact O-CB 3.48Å; E36-L40 VanDerWaalsContact O-CG 3.31Å; E36-L40 WeakPolarHBondContact O-CG 3.31Å; E36-L40 PolarHBondContact O-N 3.36Å; E36-M63 HydrophobicContact CG-CE 4.49Å; E36-F130 HydrophobicContact CG-CB 4.05Å; E36-N131 PolarHBondContact OE1-OD1 3.26Å; E36-N131 PolarHBondContact OE2-OD1 3.4Å
37L93.5Very high92.9Very high31 Ų3171.2 Ų71.216%0.16233%0.326CS..Hα-helixtrans-61.4-47.1178.2-173.361.3000112.3V33 F34 R35 I39 L40 Q41 L51 M63V33-L37 WeakPolarHBondContact O-CB 2.97Å; V33-L37 PolarHBondContact O-N 2.98Å; F34-L37 PolarHBondContact O-N 2.79Å; R35-L37 VanDerWaalsContact C-N 3.29Å; R35-L37 PolarHBondContact O-N 3.03Å; L37-I39 VanDerWaalsContact C-N 3.33Å; L37-I39 PolarHBondContact O-N 3.19Å; L37-L40 PolarHBondContact O-N 3.35Å; L37-Q41 HydrophobicContact CD1-CG 4.39Å; L37-Q41 HydrophobicContact CG-CG 4.5Å; L37-Q41 WeakPolarHBondContact O-CB 3.42Å; L37-Q41 VanDerWaalsContact O-CG 3.24Å; L37-Q41 WeakPolarHBondContact O-CG 3.17Å; L37-Q41 PolarHBondContact O-N 3.42Å; L37-L51 HydrophobicContact CD1-CD2 3.66Å; L37-M63 HydrophobicContact CB-CE 3.65Å; L37-M63 HydrophobicContact CD1-CE 3.98Å; L37-M63 HydrophobicContact CD1-CG 4.2Å; L37-M63 HydrophobicContact CD1-SD 4.44Å; L37-M63 HydrophobicContact CG-CE 4.32Å
38E94.7Very high93.5Very high116 Ų11663 Ų6354%0.54230%0.295SS..Hα-helixtrans-58.3-45.3177.8-75.8170.4-175.300111.2F34 R35 Q41 E42F34-E38 WeakPolarHBondContact O-CB 3.44Å; F34-E38 VanDerWaalsContact O-CG 3.31Å; F34-E38 WeakPolarHBondContact O-CG 3.39Å; F34-E38 PolarHBondContact O-N 3.21Å; R35-E38 PolarHBondContact O-N 3.04Å; E38-Q41 PolarHBondContact O-N 3.45Å; E38-E42 WeakPolarHBondContact O-CG 3.45Å
39I96.4Very high93.9Very high2 Ų257.4 Ų57.41%0.0127%0.265CS..Hα-helixtrans-62.5-50.5176.8-72.9171.4000110.6R35 E36 L37 Q41 E42 I43 I107 F130 A133 I135R35-I39 HydrophobicContact CG-CD1 4.03Å; R35-I39 WeakPolarHBondContact O-CG1 3.26Å; R35-I39 PolarHBondContact O-N 3.34Å; E36-I39 PolarHBondContact O-N 2.87Å; L37-I39 VanDerWaalsContact C-N 3.33Å; L37-I39 PolarHBondContact O-N 3.19Å; I39-Q41 PolarHBondContact O-N 2.92Å; I39-E42 PolarHBondContact O-N 3.01Å; I39-E42 VanDerWaalsContact O-N 3.14Å; I39-I43 HydrophobicContact CG2-CD1 3.97Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 2.74Å; I39-I107 HydrophobicContact CG2-CD1 3.81Å; I39-I107 HydrophobicContact CG2-CG1 4.38Å; I39-I107 HydrophobicContact CG2-CG2 4.42Å; I39-F130 HydrophobicContact CG2-CD1 3.84Å; I39-F130 HydrophobicContact CG2-CE1 4.46Å; I39-F130 HydrophobicContact CG2-CG 4.42Å; I39-A133 HydrophobicContact CD1-CB 3.75Å; I39-I135 HydrophobicContact CD1-CG1 4.27Å; I39-I135 HydrophobicContact CG1-CD1 4.06Å; I39-I135 HydrophobicContact CG1-CG1 3.99Å
40L96.4Very high94.4Very high10 Ų1054.6 Ų54.65%0.05225%0.253CS..Hα-helixtrans-65-22.8-177-76.3175.8000113.6E36 L37 I43 L51 M63 F130E36-L40 HydrophobicContact CG-CD1 3.82Å; E36-L40 HydrophobicContact CG-CG 4.38Å; E36-L40 WeakPolarHBondContact O-CB 3.48Å; E36-L40 VanDerWaalsContact O-CG 3.31Å; E36-L40 WeakPolarHBondContact O-CG 3.31Å; E36-L40 PolarHBondContact O-N 3.36Å; L37-L40 PolarHBondContact O-N 3.35Å; L40-I43 HydrophobicContact CD2-CD1 4.28Å; L40-L51 HydrophobicContact CB-CB 3.94Å; L40-L51 HydrophobicContact CB-CD2 3.96Å; L40-M63 HydrophobicContact CD1-SD 4.15Å; L40-F130 HydrophobicContact CD2-CB 4.45Å; L40-F130 HydrophobicContact CD2-CD2 3.64Å; L40-F130 HydrophobicContact CD2-CE2 4.11Å; L40-F130 HydrophobicContact CD2-CG 4.14Å; L40-F130 HydrophobicContact CG-CB 4.45Å
41Q96.3Very high94.9Very high107 Ų10754.1 Ų54.150%0.525%0.248SC..Hα-helixtrans-76.3-25.8176-78.8178.9-35.200113.3L37 E38 I39 L51L37-Q41 HydrophobicContact CD1-CG 4.39Å; L37-Q41 HydrophobicContact CG-CG 4.5Å; L37-Q41 WeakPolarHBondContact O-CB 3.42Å; L37-Q41 VanDerWaalsContact O-CG 3.24Å; L37-Q41 WeakPolarHBondContact O-CG 3.17Å; L37-Q41 PolarHBondContact O-N 3.42Å; E38-Q41 PolarHBondContact O-N 3.45Å; I39-Q41 PolarHBondContact O-N 2.92Å; Q41-L51 HydrophobicContact CG-CD2 3.74Å
42E95.6Very high95.3Very high152 Ų15250.1 Ų50.171%0.7123%0.233SC*.Hα-helixtrans-98.1-5.8-175.1-62.5-63.9147.200112.8E38 I39E38-E42 WeakPolarHBondContact O-CG 3.45Å; I39-E42 PolarHBondContact O-N 3.01Å; I39-E42 VanDerWaalsContact O-N 3.14Å
43I97.6Very high95.8Very high11 Ų1152 Ų526%0.05624%0.238CC..  trans-117.3139.8-17768.8-178.1000113.2I39 L40 L48 Y101 L102 Q105 I107 F130I39-I43 HydrophobicContact CG2-CD1 3.97Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 2.74Å; L40-I43 HydrophobicContact CD2-CD1 4.28Å; I43-L48 HydrophobicContact CD1-CD1 4Å; I43-L48 HydrophobicContact CG1-CD1 4.45Å; I43-Y101 VanDerWaalsContact CA-OH 3.31Å; I43-Y101 WeakPolarHBondContact CA-OH 3.4Å; I43-Y101 HydrophobicContact CB-CE1 3.99Å; I43-Y101 HydrophobicContact CG2-CE1 4.27Å; I43-L102 HydrophobicContact CD1-CD2 4.05Å; I43-Q105 HydrophobicContact CG2-CB 4.4Å; I43-Q105 HydrophobicContact CG2-CG 4.3Å; I43-I107 HydrophobicContact CG2-CD1 3.44Å; I43-I107 VanDerWaalsContact CG2-CD1 3.44Å; I43-F130 HydrophobicContact CD1-CD1 4.22Å; I43-F130 HydrophobicContact CD1-CE1 3.68Å; I43-F130 HydrophobicContact CD1-CE2 4.21Å; I43-F130 HydrophobicContact CD1-CZ 3.67Å
44E97.9Very high96.2Very high149 Ų14953.7 Ų53.770%0.69625%0.25SS*.  trans-148.8121.5171.7-173.4177.4-173.500109.2N50 Y101E44-N50 WeakPolarHBondContact CA-OD1 3.42Å; E44-Y101 PolarHBondContact N-OH 3.44Å; E44-Y101 PolarHBondContact O-OH 3.28Å
45H98.6Very high96.4Very high14 Ų1454.2 Ų54.27%0.06525%0.252CS..  trans-155.1147.9-179.3-174.2-97.4000112.3F47 L48 N50 Y101 Y257H45-F47 AromaticContact CE1-CD2 3.77Å; H45-F47 PolarHBondContact ND1-N 3.41Å; H45-F47 PolarHBondContact O-N 3.21Å; H45-F47 VanDerWaalsContact O-N 3.09Å; H45-L48 HydrophobicContact CB-CB 4.29Å; H45-L48 HydrophobicContact CB-CD1 3.79Å; H45-L48 HydrophobicContact CB-CG 3.82Å; H45-L48 PolarHBondContact O-N 2.79Å; H45-N50 PolarHBondContact N-OD1 3.07Å; H45-N50 PolarHBondContact O-ND2 3.25Å; H45-N50 PolarHBondContact O-OD1 2.99Å; H45-Y101 HydrophobicContact CB-CD1 3.62Å; H45-Y101 HydrophobicContact CB-CE1 3.71Å; H45-Y101 HydrophobicContact CB-CG 4.12Å; H45-Y101 AromaticContact CD2-CG 3.62Å; H45-Y101 AromaticContact CG-CD1 3.87Å; H45-Y101 AromaticContact CG-CG 3.97Å; H45-Y257 AromaticContact NE2-CE2 3.6Å
46V98.3Very high96.6Very high48 Ų4856 Ų5629%0.29126%0.264SS..THydrogen-bonded Turntrans-62.6-20.3-172.9-60.50000114.7H126 Y257 K259V46-H126 PolarHBondContact O-CD2 2.7Å; V46-H126 PolarHBondContact O-NE2 3.42Å; V46-Y257 HydrophobicContact CG1-CE1 4.21Å; V46-Y257 HydrophobicContact CG1-CE2 4.47Å; V46-Y257 HydrophobicContact CG2-CD2 3.88Å; V46-Y257 HydrophobicContact CG2-CE2 3.81Å; V46-Y257 HydrophobicContact CG2-CG 4.33Å; V46-K259 VanDerWaalsContact O-CE 3.31Å; V46-K259 WeakPolarHBondContact O-CE 3.35Å; V46-K259 PolarHBondContact O-NZ 3.35Å
47F98.7Very high96.7Very high0 Ų059.2 Ų59.20%028%0.282CS..THydrogen-bonded Turntrans-115.819.8178.8-60.3-55.6000113.2H45 E94 M95 L97 A98 H124 A125 H126 L127 V256 K259H45-F47 AromaticContact CE1-CD2 3.77Å; H45-F47 PolarHBondContact ND1-N 3.41Å; H45-F47 PolarHBondContact O-N 3.21Å; H45-F47 VanDerWaalsContact O-N 3.09Å; F47-E94 HydrophobicContact CD1-CB 3.84Å; F47-E94 HydrophobicContact CD1-CG 3.99Å; F47-E94 HydrophobicContact CD2-CB 4.13Å; F47-E94 WeakPolarHBondContact CD2-O 3.3Å; F47-E94 HydrophobicContact CE1-CB 3.92Å; F47-E94 HydrophobicContact CE1-CG 3.53Å; F47-E94 HydrophobicContact CE2-CB 4.24Å; F47-E94 HydrophobicContact CE2-CG 4.16Å; F47-E94 HydrophobicContact CG-CB 3.96Å; F47-E94 HydrophobicContact CG-CG 4.47Å; F47-E94 HydrophobicContact CZ-CB 4.13Å; F47-E94 HydrophobicContact CZ-CG 3.64Å; F47-M95 HydrophobicContact CB-CE 4.28Å; F47-L97 HydrophobicContact CD2-CB 4.04Å; F47-L97 HydrophobicContact CD2-CD1 4.26Å; F47-L97 HydrophobicContact CE2-CB 4.33Å; F47-L97 HydrophobicContact CE2-CD1 3.7Å; F47-A98 HydrophobicContact CB-CB 4.06Å; F47-H124 HydrophobicContact CE1-CB 4.45Å; F47-A125 WeakPolarHBondContact CD1-O 3.35Å; F47-H126 CarbonylContact O-C 3.59Å; F47-H126 VanDerWaalsContact O-CA 3.28Å; F47-H126 WeakPolarHBondContact O-CA 3.36Å; F47-L127 PolarHBondContact O-N 3.26Å; F47-V256 HydrophobicContact CE2-CG1 4.11Å; F47-V256 HydrophobicContact CZ-CG1 4.04Å; F47-V256 VanDerWaalsContact CZ-O 3.26Å; F47-V256 WeakPolarHBondContact CZ-O 3.44Å; F47-K259 HydrophobicContact CE1-CD 4.39Å; F47-K259 HydrophobicContact CE1-CG 3.87Å; F47-K259 HydrophobicContact CZ-CG 4.1Å
48L98.6Very high96.8Very high0 Ų066 Ų660%031%0.313CS..BIsolated β-bridgetrans-113.5154.2169-61.9-177.2000109.4I43 H45 N50 A98 Y101 L102 L127 F130I43-L48 HydrophobicContact CD1-CD1 4Å; I43-L48 HydrophobicContact CG1-CD1 4.45Å; H45-L48 HydrophobicContact CB-CB 4.29Å; H45-L48 HydrophobicContact CB-CD1 3.79Å; H45-L48 HydrophobicContact CB-CG 3.82Å; H45-L48 PolarHBondContact O-N 2.79Å; L48-N50 PolarHBondContact O-N 3.22Å; L48-N50 PolarHBondContact O-ND2 3.39Å; L48-A98 HydrophobicContact CD2-CB 3.94Å; L48-Y101 HydrophobicContact CD1-CD1 3.9Å; L48-Y101 HydrophobicContact CD1-CE1 3.84Å; L48-L102 HydrophobicContact CD1-CD2 3.85Å; L48-L102 HydrophobicContact CD1-CG 4.38Å; L48-L102 HydrophobicContact CD2-CD1 4.42Å; L48-L127 HydrophobicContact CD2-CB 3.78Å; L48-L127 HydrophobicContact CD2-CD2 4.27Å; L48-L127 HydrophobicContact CD2-CG 4.44Å; L48-F130 HydrophobicContact CD1-CZ 4.21Å; L48-F130 HydrophobicContact CD2-CZ 4.02Å
49V97.6Very high96.7Very high6 Ų664 Ų644%0.03630%0.303CS..  trans-78.4106.7164.5171.70000108.2V65 D66 L68 L118 H126 L127V49-V65 HydrophobicContact CG1-CB 3.69Å; V49-V65 HydrophobicContact CG1-CG1 4.48Å; V49-V65 HydrophobicContact CG1-CG2 3.67Å; V49-D66 HydrophobicContact CG1-CB 4.29Å; V49-L68 HydrophobicContact CG2-CD1 3.5Å; V49-L68 HydrophobicContact CG2-CG 4.33Å; V49-L118 HydrophobicContact CG2-CD1 4.17Å; V49-H126 HydrophobicContact CG2-CB 4.15Å; V49-L127 PolarHBondContact N-O 3.45Å
50N97.8Very high96.5Very high23 Ų2365.1 Ų65.112%0.12331%0.309CS..  trans-87.4147.5-171.5-53.6-74.2000111.8E44 H45 L48 V65 D66E44-N50 WeakPolarHBondContact CA-OD1 3.42Å; H45-N50 PolarHBondContact N-OD1 3.07Å; H45-N50 PolarHBondContact O-ND2 3.25Å; H45-N50 PolarHBondContact O-OD1 2.99Å; L48-N50 PolarHBondContact O-N 3.22Å; L48-N50 PolarHBondContact O-ND2 3.39Å; N50-V65 CarbonylContact O-C 3.59Å; N50-V65 WeakPolarHBondContact O-CA 3.33Å; N50-V65 WeakPolarHBondContact O-CB 3.5Å; N50-D66 VanDerWaalsContact CB-OD2 3.31Å; N50-D66 WeakPolarHBondContact CB-OD2 3.48Å; N50-D66 PolarHBondContact N-OD2 3.09Å; N50-D66 PolarHBondContact ND2-OD2 2.82Å; N50-D66 PolarHBondContact O-N 2.93Å; N50-D66 VanDerWaalsContact O-N 3.07Å
51L97.7Very high96.4Very high32 Ų3265.7 Ų65.717%0.16831%0.312CS..EExtended strand (participates in β ladder)trans-83.8129.5173.817974.1000110.7L37 L40 Q41 Y53 M63 V65L37-L51 HydrophobicContact CD1-CD2 3.66Å; L40-L51 HydrophobicContact CB-CB 3.94Å; L40-L51 HydrophobicContact CB-CD2 3.96Å; Q41-L51 HydrophobicContact CG-CD2 3.74Å; L51-Y53 WeakPolarHBondContact CD1-O 3.49Å; L51-M63 HydrophobicContact CD1-CB 3.88Å; L51-M63 HydrophobicContact CD1-CG 4.25Å; L51-V65 HydrophobicContact CD1-CG1 4.05Å
52W97Very high96.3Very high103 Ų10361.2 Ų61.239%0.3929%0.291SS..EExtended strand (participates in β ladder)trans-103.2-43.5176.3-7283.7000112.6Y14 V64 D66Y14-W52 HydrophobicContact CD1-CB 4.43Å; Y14-W52 AromaticContact CD1-CD1 3.94Å; Y14-W52 HydrophobicContact CD1-CG 4.06Å; Y14-W52 HydrophobicContact CE1-CB 4.06Å; Y14-W52 AromaticContact CE1-CD1 3.77Å; Y14-W52 AromaticContact CE1-CD2 3.74Å; Y14-W52 HydrophobicContact CE1-CD2 3.74Å; Y14-W52 HydrophobicContact CE1-CE3 4.36Å; Y14-W52 AromaticContact CE1-CG 3.56Å; Y14-W52 HydrophobicContact CE1-CG 3.56Å; W52-V64 PolarHBondContact N-O 3.38Å; W52-D66 PolarHBondContact NE1-OD1 3.07Å
53Y96.5Very high96.2Very high87 Ų8754.1 Ų54.134%0.34126%0.258SS..EExtended strand (participates in β ladder)trans-145.1146.4-175.3-45.6-73.1000111.1K7 Y14 L51 V64K7-Y53 HydrophobicContact CD-CE2 4.03Å; K7-Y53 WeakPolarHBondContact CE-OH 3.12Å; Y14-Y53 HydrophobicContact CE1-CE2 4.22Å; Y14-Y53 HydrophobicContact CE2-CE2 4.32Å; Y14-Y53 AromaticContact CZ-CE2 3.92Å; Y14-Y53 PolarHBondContact OH-OH 2.86Å; L51-Y53 WeakPolarHBondContact CD1-O 3.49Å; Y53-V64 HydrophobicContact CD2-CB 3.86Å; Y53-V64 HydrophobicContact CD2-CG1 3.82Å; Y53-V64 HydrophobicContact CD2-CG2 4.35Å; Y53-V64 HydrophobicContact CG-CB 4.43Å; Y53-V64 PolarHBondContact N-O 3.05Å; Y53-V64 PolarHBondContact O-N 2.84Å
54S95.9Very high96.2Very high47 Ų4754 Ų5433%0.32926%0.257SS..EExtended strand (participates in β ladder)trans-135.1134.216962.60000110.3F62S54-F62 WeakPolarHBondContact CA-O 3.31Å
55F95.9Very high96.1Very high106 Ų10648 Ų4847%0.46523%0.231SC..EExtended strand (participates in β ladder)trans-154.2175.5177.252.3-90.6000110.5M16 F62 V64M16-F55 HydrophobicContact SD-CZ 3.78Å; F55-F62 HydrophobicContact CD2-CB 3.82Å; F55-F62 AromaticContact CD2-CD2 3.45Å; F55-F62 HydrophobicContact CD2-CD2 3.45Å; F55-F62 VanDerWaalsContact CD2-CD2 3.45Å; F55-F62 HydrophobicContact CD2-CE2 4.26Å; F55-F62 AromaticContact CD2-CG 3.86Å; F55-F62 HydrophobicContact CD2-CG 3.86Å; F55-F62 HydrophobicContact CE1-CB 4.31Å; F55-F62 HydrophobicContact CE2-CB 3.53Å; F55-F62 HydrophobicContact CE2-CD1 4.22Å; F55-F62 AromaticContact CE2-CD2 3.46Å; F55-F62 HydrophobicContact CE2-CD2 3.46Å; F55-F62 VanDerWaalsContact CE2-CD2 3.46Å; F55-F62 HydrophobicContact CE2-CE2 4.21Å; F55-F62 AromaticContact CE2-CG 3.47Å; F55-F62 HydrophobicContact CE2-CG 3.47Å; F55-F62 VanDerWaalsContact CE2-CG 3.47Å; F55-F62 HydrophobicContact CG-CB 4.32Å; F55-F62 HydrophobicContact CG-CD2 4.49Å; F55-F62 HydrophobicContact CZ-CB 3.8Å; F55-F62 HydrophobicContact CZ-CG 4.15Å; F55-F62 PolarHBondContact N-O 2.91Å; F55-F62 VanDerWaalsContact N-O 3.09Å; F55-F62 PolarHBondContact O-N 3.45Å; F55-V64 HydrophobicContact CE1-CG2 3.71Å; F55-V64 HydrophobicContact CZ-CG2 4.2Å
56Q95.1Very high95.9Very high125 Ų12548.8 Ų48.858%0.58424%0.236SC*.EExtended strand (participates in β ladder)trans-148.7156.5-179.160.1179.4-5300110.8K21 D60 M61K21-Q56 VanDerWaalsContact CE-OE1 3.31Å; Q56-D60 WeakPolarHBondContact CA-O 3.36Å; Q56-D60 WeakPolarHBondContact CB-O 3.46Å; Q56-M61 HydrophobicContact CB-CG 4.22Å
57D94.9Very high95.7Very high75 Ų7548.4 Ų48.440%0.40123%0.232SC..  trans-121.5-159.1167.871.316000110.9K21 E59 D60 F62K21-D57 WeakPolarHBondContact CE-O 3.3Å; K21-D57 PolarHBondContact NZ-O 2.93Å; D57-E59 VanDerWaalsContact C-N 3.31Å; D57-E59 PolarHBondContact O-N 2.8Å; D57-E59 PolarHBondContact OD1-N 3.02Å; D57-D60 PolarHBondContact N-O 3.42Å; D57-D60 PolarHBondContact OD1-N 3.32Å; D57-F62 HydrophobicContact CB-CE2 4.28Å
58E95.2Very high95.4Very high173 Ų17349.9 Ų49.981%0.80824%0.24SC*.SBendtrans-67-30.4-179.8-68.5173.1-163.700112.8
59E93.4Very high94.9Very high73 Ų7352.4 Ų52.434%0.34125%0.253SS..SBendtrans-109.5-34.3-170.2-64.8-177.3-175.900112.7N20 K21 D57 K293N20-E59 PolarHBondContact ND2-O 3.18Å; K21-E59 WeakPolarHBondContact CB-O 3.34Å; K21-E59 WeakPolarHBondContact CG-O 3.37Å; K21-E59 PolarHBondContact N-O 2.86Å; D57-E59 VanDerWaalsContact C-N 3.31Å; D57-E59 PolarHBondContact O-N 2.8Å; D57-E59 PolarHBondContact OD1-N 3.02Å; E59-K293 IonicContact OE2-NZ 3.41Å; E59-K293 PolarHBondContact OE2-NZ 3.03Å
60D92.2Very high94.5Very high26 Ų2652.1 Ų52.114%0.13925%0.251CS..EExtended strand (participates in β ladder)trans-133.4155.1-165.7-58.9-57.9000112.9M19 N20 Q56 D57 F62M19-D60 WeakPolarHBondContact O-CA 3.32Å; N20-D60 WeakPolarHBondContact CA-OD1 3.33Å; N20-D60 WeakPolarHBondContact CB-OD1 3.35Å; N20-D60 PolarHBondContact ND2-OD1 3.12Å; Q56-D60 WeakPolarHBondContact CA-O 3.36Å; Q56-D60 WeakPolarHBondContact CB-O 3.46Å; D57-D60 PolarHBondContact N-O 3.42Å; D57-D60 PolarHBondContact OD1-N 3.32Å; D60-F62 HydrophobicContact CB-CE1 4.11Å; D60-F62 HydrophobicContact CB-CE2 3.97Å; D60-F62 HydrophobicContact CB-CZ 3.61Å
61M93.3Very high94.1Very high22 Ų2251.4 Ų51.411%0.10825%0.249CC..EExtended strand (participates in β ladder)trans-107.2144.6165.4-61.2177.6-7000109M19 K21 V33 F34 Q56M19-M61 HydrophobicContact CB-CB 4.39Å; M19-M61 HydrophobicContact CB-CE 4.37Å; M19-M61 HydrophobicContact CE-CB 4.25Å; M19-M61 PolarHBondContact N-O 3.46Å; M19-M61 PolarHBondContact O-N 3.3Å; K21-M61 HydrophobicContact CG-CG 4.08Å; V33-M61 HydrophobicContact CB-CE 4.33Å; V33-M61 HydrophobicContact CG1-CE 3.67Å; V33-M61 HydrophobicContact CG1-SD 4.24Å; F34-M61 HydrophobicContact CZ-SD 4.41Å; Q56-M61 HydrophobicContact CB-CG 4.22Å
62F94.2Very high94Very high13 Ų1351.2 Ų51.26%0.05725%0.248CC..EExtended strand (participates in β ladder)trans-128.6132.5-174.4-51.4-90.2000110.6M16 K17 Y18 S54 F55 D57 D60M16-F62 HydrophobicContact CE-CD1 4.04Å; M16-F62 HydrophobicContact CE-CE1 4.49Å; M16-F62 HydrophobicContact CG-CB 4.41Å; M16-F62 HydrophobicContact CG-CD1 4.48Å; M16-F62 HydrophobicContact SD-CB 4.31Å; M16-F62 HydrophobicContact SD-CD1 4.13Å; K17-F62 WeakPolarHBondContact O-CA 3.44Å; Y18-F62 AromaticContact CD1-CD1 3.8Å; Y18-F62 HydrophobicContact CD1-CD1 3.8Å; Y18-F62 AromaticContact CD1-CE1 3.42Å; Y18-F62 HydrophobicContact CD1-CE1 3.42Å; Y18-F62 VanDerWaalsContact CD1-CE1 3.42Å; Y18-F62 HydrophobicContact CE1-CD1 4.03Å; Y18-F62 AromaticContact CE1-CE1 3.58Å; Y18-F62 HydrophobicContact CE1-CE1 3.58Å; Y18-F62 HydrophobicContact CG-CD1 4.31Å; Y18-F62 HydrophobicContact CG-CE1 4.34Å; S54-F62 WeakPolarHBondContact CA-O 3.31Å; F55-F62 HydrophobicContact CD2-CB 3.82Å; F55-F62 AromaticContact CD2-CD2 3.45Å; F55-F62 HydrophobicContact CD2-CD2 3.45Å; F55-F62 VanDerWaalsContact CD2-CD2 3.45Å; F55-F62 HydrophobicContact CD2-CE2 4.26Å; F55-F62 AromaticContact CD2-CG 3.86Å; F55-F62 HydrophobicContact CD2-CG 3.86Å; F55-F62 HydrophobicContact CE1-CB 4.31Å; F55-F62 HydrophobicContact CE2-CB 3.53Å; F55-F62 HydrophobicContact CE2-CD1 4.22Å; F55-F62 AromaticContact CE2-CD2 3.46Å; F55-F62 HydrophobicContact CE2-CD2 3.46Å; F55-F62 VanDerWaalsContact CE2-CD2 3.46Å; F55-F62 HydrophobicContact CE2-CE2 4.21Å; F55-F62 AromaticContact CE2-CG 3.47Å; F55-F62 HydrophobicContact CE2-CG 3.47Å; F55-F62 VanDerWaalsContact CE2-CG 3.47Å; F55-F62 HydrophobicContact CG-CB 4.32Å; F55-F62 HydrophobicContact CG-CD2 4.49Å; F55-F62 HydrophobicContact CZ-CB 3.8Å; F55-F62 HydrophobicContact CZ-CG 4.15Å; F55-F62 PolarHBondContact N-O 2.91Å; F55-F62 VanDerWaalsContact N-O 3.09Å; F55-F62 PolarHBondContact O-N 3.45Å; D57-F62 HydrophobicContact CB-CE2 4.28Å; D60-F62 HydrophobicContact CB-CE1 4.11Å; D60-F62 HydrophobicContact CB-CE2 3.97Å; D60-F62 HydrophobicContact CB-CZ 3.61Å
63M94.6Very high93.9Very high4 Ų446.5 Ų46.52%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-118.5129166.9-65.6177.4-171.300108.7M16 K17 M19 V33 E36 L37 L40 L51M16-M63 CarbonylContact C-O 3.59Å; M16-M63 VanDerWaalsContact CA-O 3.3Å; M16-M63 WeakPolarHBondContact CA-O 3.47Å; K17-M63 HydrophobicContact CB-CB 4.34Å; K17-M63 PolarHBondContact N-O 2.72Å; K17-M63 PolarHBondContact O-N 3.26Å; M19-M63 HydrophobicContact CE-CB 4.36Å; M19-M63 HydrophobicContact CE-CE 3.74Å; M19-M63 HydrophobicContact CE-CG 3.64Å; M19-M63 HydrophobicContact CE-SD 3.9Å; M19-M63 HydrophobicContact SD-CE 4.14Å; V33-M63 HydrophobicContact CG1-CE 4.11Å; E36-M63 HydrophobicContact CG-CE 4.49Å; L37-M63 HydrophobicContact CB-CE 3.65Å; L37-M63 HydrophobicContact CD1-CE 3.98Å; L37-M63 HydrophobicContact CD1-CG 4.2Å; L37-M63 HydrophobicContact CD1-SD 4.44Å; L37-M63 HydrophobicContact CG-CE 4.32Å; L40-M63 HydrophobicContact CD1-SD 4.15Å; L51-M63 HydrophobicContact CD1-CB 3.88Å; L51-M63 HydrophobicContact CD1-CG 4.25Å
64V96.4Very high93.8Very high7 Ų744.2 Ų44.24%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-109.1118.1177.2-1750000108.1Y14 A15 M16 W52 Y53 F55Y14-V64 VanDerWaalsContact CB-CG1 3.4Å; Y14-V64 HydrophobicContact CD1-CG1 3.88Å; Y14-V64 HydrophobicContact CD2-CG1 4.28Å; Y14-V64 HydrophobicContact CG-CG1 3.61Å; A15-V64 CarbonylContact O-C 3.53Å; A15-V64 WeakPolarHBondContact O-CA 3.32Å; M16-V64 HydrophobicContact CB-CG2 4.44Å; M16-V64 HydrophobicContact CG-CG2 3.97Å; M16-V64 HydrophobicContact SD-CG2 3.93Å; W52-V64 PolarHBondContact N-O 3.38Å; Y53-V64 HydrophobicContact CD2-CB 3.86Å; Y53-V64 HydrophobicContact CD2-CG1 3.82Å; Y53-V64 HydrophobicContact CD2-CG2 4.35Å; Y53-V64 HydrophobicContact CG-CB 4.43Å; Y53-V64 PolarHBondContact N-O 3.05Å; Y53-V64 PolarHBondContact O-N 2.84Å; F55-V64 HydrophobicContact CE1-CG2 3.71Å; F55-V64 HydrophobicContact CZ-CG2 4.2Å
65V96.5Very high93.6Very high23 Ų2343.7 Ų43.714%0.13921%0.213CC..EExtended strand (participates in β ladder)trans-125.7173.7-173.2-57.30000111.4A15 V49 N50 L51 L67A15-V65 HydrophobicContact CB-CG2 3.96Å; A15-V65 PolarHBondContact N-O 3.32Å; A15-V65 VanDerWaalsContact N-O 3.08Å; A15-V65 PolarHBondContact O-N 3.09Å; V49-V65 HydrophobicContact CG1-CB 3.69Å; V49-V65 HydrophobicContact CG1-CG1 4.48Å; V49-V65 HydrophobicContact CG1-CG2 3.67Å; N50-V65 CarbonylContact O-C 3.59Å; N50-V65 WeakPolarHBondContact O-CA 3.33Å; N50-V65 WeakPolarHBondContact O-CB 3.5Å; L51-V65 HydrophobicContact CD1-CG1 4.05Å; V65-L67 PolarHBondContact O-N 2.94Å
66D95.1Very high93.5Very high31 Ų3139 Ų3917%0.16619%0.192CC..  trans-51.1137.5172.4-70.7-41.5000112.3V49 N50 W52V49-D66 HydrophobicContact CG1-CB 4.29Å; N50-D66 VanDerWaalsContact CB-OD2 3.31Å; N50-D66 WeakPolarHBondContact CB-OD2 3.48Å; N50-D66 PolarHBondContact N-OD2 3.09Å; N50-D66 PolarHBondContact ND2-OD2 2.82Å; N50-D66 PolarHBondContact O-N 2.93Å; N50-D66 VanDerWaalsContact O-N 3.07Å; W52-D66 PolarHBondContact NE1-OD1 3.07Å
67L93.6Very high93.4Very high41 Ų4134 Ų3422%0.21517%0.169CC..  trans-93.1115.1172.5178.862.9000109.8I4 M13 A15 V65 L69I4-L67 HydrophobicContact CD1-CD1 4.19Å; I4-L67 HydrophobicContact CG1-CD1 3.87Å; I4-L67 HydrophobicContact CG2-CD1 4.35Å; I4-L67 HydrophobicContact CG2-CD2 3.8Å; M13-L67 HydrophobicContact CB-CD2 3.65Å; A15-L67 HydrophobicContact CB-CD1 4.16Å; V65-L67 PolarHBondContact O-N 2.94Å; L67-L69 HydrophobicContact CD1-CD2 4.07Å; L67-L69 HydrophobicContact CD2-CD2 3.95Å; L67-L69 HydrophobicContact CD2-CG 4.33Å; L67-L69 HydrophobicContact CG-CD2 3.9Å; L67-L69 HydrophobicContact CG-CG 4.11Å
68L91.9Very high93.2Very high30 Ų3035.1 Ų35.116%0.15717%0.172CC..  trans-110.7114.7176.1-59.3-175.6000109.9V49 L118 D120 H126V49-L68 HydrophobicContact CG2-CD1 3.5Å; V49-L68 HydrophobicContact CG2-CG 4.33Å; L68-L118 HydrophobicContact CB-CB 4.02Å; L68-L118 HydrophobicContact CB-CD1 4.22Å; L68-L118 HydrophobicContact CD1-CB 3.54Å; L68-L118 HydrophobicContact CD1-CD1 4.14Å; L68-L118 HydrophobicContact CD1-CG 4.41Å; L68-L118 HydrophobicContact CG-CB 4.43Å; L68-D120 HydrophobicContact CD2-CB 3.88Å; L68-H126 HydrophobicContact CD1-CB 3.4Å; L68-H126 VanDerWaalsContact CD1-CB 3.4Å
69L87.9Confident93Very high54 Ų5432.1 Ų32.128%0.28316%0.158SC..THydrogen-bonded Turntrans-92.4-7.5-170.1-66.6171000113.5I4 L67 G71 E121 L272I4-L69 HydrophobicContact CD1-CD2 4.47Å; L67-L69 HydrophobicContact CD1-CD2 4.07Å; L67-L69 HydrophobicContact CD2-CD2 3.95Å; L67-L69 HydrophobicContact CD2-CG 4.33Å; L67-L69 HydrophobicContact CG-CD2 3.9Å; L67-L69 HydrophobicContact CG-CG 4.11Å; L69-G71 PolarHBondContact O-N 2.84Å; L69-E121 HydrophobicContact CB-CG 3.9Å; L69-E121 HydrophobicContact CD1-CG 4.07Å; L69-E121 WeakPolarHBondContact CD1-OE1 3.48Å; L69-E121 HydrophobicContact CG-CG 4.49Å; L69-L272 HydrophobicContact CD2-CD2 3.67Å
70G89.1Confident92.7Very high0 Ų035.3 Ų35.30%018%0.177CC..THydrogen-bonded Turntrans-77.1-7.2-179.300000114.5H76 L119G70-H76 PolarHBondContact O-CE1 2.85Å; G70-H76 PolarHBondContact O-NE2 2.97Å; G70-L119 WeakPolarHBondContact CA-O 3.37Å; G70-L119 PolarHBondContact N-O 2.95Å
71G90.4Very high92.7Very high8 Ų835.9 Ų35.98%0.08218%0.182CC..  trans77.8174.8-176.800000113.4L69 L118 L119 H273L69-G71 PolarHBondContact O-N 2.84Å; G71-L118 CarbonylContact O-C 3.34Å; G71-L118 WeakPolarHBondContact O-CA 3.34Å; G71-L119 PolarHBondContact O-N 3.07Å; G71-H273 WeakPolarHBondContact CA-O 3.49Å
72D93.8Very high92.5Very high28 Ų2843.8 Ų43.815%0.1522%0.219CC..BIsolated β-bridgetrans-83.9154.8173.961.284000112.2R74 Y75 H76 I117 L118D72-R74 PolarHBondContact O-N 2.85Å; D72-R74 WeakPolarHBondContact OD1-CA 3.31Å; D72-R74 WeakPolarHBondContact OD1-CB 3.46Å; D72-R74 PolarHBondContact OD1-N 3.49Å; D72-R74 VanDerWaalsContact OD1-N 3.11Å; D72-Y75 WeakPolarHBondContact O-CB 3.49Å; D72-Y75 PolarHBondContact O-N 3.42Å; D72-Y75 PolarHBondContact OD1-N 3.14Å; D72-H76 PolarHBondContact O-CD2 2.99Å; D72-I117 CarbonylContact C-O 3.59Å; D72-I117 WeakPolarHBondContact CA-O 3.26Å; D72-L118 HydrophobicContact CB-CD2 3.55Å
73L95.6Very high92.5Very high3 Ų344 Ų442%0.01622%0.22CC..Hα-helixtrans-62.8-28.8178.1-71.6-177.2000112.4H76 L77 F83 Y91 P114 I117 L119 V183L73-H76 PolarHBondContact O-N 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.07Å; L73-L77 PolarHBondContact O-N 3.47Å; L73-L77 VanDerWaalsContact O-N 3.07Å; L73-F83 HydrophobicContact CD2-CE1 4.2Å; L73-F83 HydrophobicContact CD2-CZ 3.92Å; L73-Y91 HydrophobicContact CD1-CD2 4.35Å; L73-Y91 HydrophobicContact CD2-CD2 4.44Å; L73-Y91 HydrophobicContact CD2-CE2 3.89Å; L73-P114 HydrophobicContact CB-CB 3.88Å; L73-P114 WeakPolarHBondContact CB-O 3.38Å; L73-P114 PolarHBondContact N-O 3.26Å; L73-P114 VanDerWaalsContact N-O 3.13Å; L73-I117 HydrophobicContact CD1-CB 3.87Å; L73-I117 HydrophobicContact CD1-CD1 4.31Å; L73-I117 HydrophobicContact CD1-CG2 3.59Å; L73-I117 HydrophobicContact CG-CB 4.17Å; L73-I117 HydrophobicContact CG-CG2 3.97Å; L73-I117 PolarHBondContact N-O 3.29Å; L73-L119 HydrophobicContact CD2-CD1 3.89Å; L73-L119 HydrophobicContact CD2-CD2 3.94Å; L73-L119 HydrophobicContact CD2-CG 3.96Å; L73-V183 HydrophobicContact CD1-CG2 4.3Å
74R95.4Very high92.4Very high40 Ų4046.2 Ų46.215%0.15124%0.235CC..Hα-helixtrans-61.4-45.3177.4166.164.460.4-151.7-4.8111D72 H76 L77 Q78 P114 D115 Y151 E182D72-R74 PolarHBondContact O-N 2.85Å; D72-R74 WeakPolarHBondContact OD1-CA 3.31Å; D72-R74 WeakPolarHBondContact OD1-CB 3.46Å; D72-R74 PolarHBondContact OD1-N 3.49Å; D72-R74 VanDerWaalsContact OD1-N 3.11Å; R74-H76 VanDerWaalsContact C-N 3.32Å; R74-H76 PolarHBondContact O-N 3.45Å; R74-L77 PolarHBondContact O-N 2.88Å; R74-Q78 WeakPolarHBondContact O-CG 3.49Å; R74-Q78 PolarHBondContact O-N 2.9Å; R74-P114 HydrophobicContact CB-CB 3.98Å; R74-P114 PolarHBondContact N-O 3.16Å; R74-D115 HydrophobicContact CB-CB 4.23Å; R74-D115 WeakPolarHBondContact CG-OD1 3.2Å; R74-D115 IonicContact CZ-OD2 3.07Å; R74-D115 IonicContact NE-OD1 2.89Å; R74-D115 IonicContact NE-OD2 3.46Å; R74-D115 PolarHBondContact NE-OD2 2.91Å; R74-D115 VanDerWaalsContact NE-OD2 3.13Å; R74-D115 IonicContact NH2-OD2 3.8Å; R74-D115 PolarHBondContact NH2-OD2 3.33Å; R74-Y151 PolarHBondContact NH2-OH 2.68Å; R74-E182 IonicContact CZ-OE1 2.66Å; R74-E182 VanDerWaalsContact CZ-OE1 3.3Å; R74-E182 IonicContact NH1-OE1 3.63Å; R74-E182 PolarHBondContact NH1-OE1 3.01Å; R74-E182 IonicContact NH2-OE1 3.39Å; R74-E182 PolarHBondContact NH2-OE1 2.87Å; R74-E182 IonicContact NH2-OE2 2.74Å; R74-E182 PolarHBondContact NH2-OE2 2.62Å
75Y91.9Very high92.3Very high36 Ų3649 Ų4914%0.14125%0.248CC..Hα-helixtrans-54.1-50176.3173.1-90.4000110.8D72 L77 Q78 Q79 H273 C274D72-Y75 WeakPolarHBondContact O-CB 3.49Å; D72-Y75 PolarHBondContact O-N 3.42Å; D72-Y75 PolarHBondContact OD1-N 3.14Å; Y75-L77 VanDerWaalsContact C-N 3.33Å; Y75-L77 PolarHBondContact O-N 3.35Å; Y75-Q78 WeakPolarHBondContact O-CB 3.14Å; Y75-Q78 PolarHBondContact O-N 3.27Å; Y75-Q78 VanDerWaalsContact O-N 3.13Å; Y75-Q79 HydrophobicContact CD1-CG 4.24Å; Y75-Q79 HydrophobicContact CE1-CG 3.8Å; Y75-Q79 HydrophobicContact CE2-CG 4.43Å; Y75-Q79 WeakPolarHBondContact O-CG 3.5Å; Y75-Q79 PolarHBondContact O-N 3.42Å; Y75-H273 HydrophobicContact CD1-CB 3.69Å; Y75-H273 WeakPolarHBondContact CD1-O 3.42Å; Y75-H273 HydrophobicContact CE1-CB 3.47Å; Y75-H273 VanDerWaalsContact CE1-CB 3.47Å; Y75-H273 AromaticContact CE1-CG 3.93Å; Y75-H273 AromaticContact CE1-ND1 3.59Å; Y75-H273 VanDerWaalsContact CG-O 3.23Å; Y75-C274 WeakPolarHBondContact CE2-O 3.36Å
76H92.6Very high92.2Very high6 Ų652.5 Ų52.53%0.02827%0.266CS..Hα-helixtrans-62.7-39.3-179.4-67.3-65000112.4G70 D72 L73 R74 Q78 Q79 N80 V81 F83 F265G70-H76 PolarHBondContact O-CE1 2.85Å; G70-H76 PolarHBondContact O-NE2 2.97Å; D72-H76 PolarHBondContact O-CD2 2.99Å; L73-H76 PolarHBondContact O-N 3.24Å; R74-H76 VanDerWaalsContact C-N 3.32Å; R74-H76 PolarHBondContact O-N 3.45Å; H76-Q78 PolarHBondContact O-N 3.06Å; H76-Q79 PolarHBondContact O-N 3.43Å; H76-N80 PolarHBondContact O-N 3.49Å; H76-V81 HydrophobicContact CB-CB 4.15Å; H76-V81 HydrophobicContact CB-CG2 4.06Å; H76-V81 VanDerWaalsContact O-CB 3.27Å; H76-V81 WeakPolarHBondContact O-CB 3.38Å; H76-V81 WeakPolarHBondContact O-CG2 3.43Å; H76-V81 PolarHBondContact O-N 3.39Å; H76-F83 HydrophobicContact CB-CE2 3.94Å; H76-F83 HydrophobicContact CB-CZ 3.54Å; H76-F265 AromaticContact CE1-CE1 3.86Å; H76-F265 AromaticContact CE1-CZ 3.75Å; H76-F265 AromaticContact ND1-CE1 3.91Å; H76-F265 AromaticContact ND1-CZ 3.5Å
77L92.7Very high92.2Very high21 Ų2151 Ų5111%0.1126%0.258CS..Hα-helixtrans-63-40.8174-68172.1000112.3L73 R74 Y75 Q79 N80 F83 P114 E182 V183L73-L77 WeakPolarHBondContact O-CG 3.07Å; L73-L77 PolarHBondContact O-N 3.47Å; L73-L77 VanDerWaalsContact O-N 3.07Å; R74-L77 PolarHBondContact O-N 2.88Å; Y75-L77 VanDerWaalsContact C-N 3.33Å; Y75-L77 PolarHBondContact O-N 3.35Å; L77-Q79 VanDerWaalsContact C-N 3.26Å; L77-Q79 PolarHBondContact O-N 3.17Å; L77-N80 WeakPolarHBondContact O-CA 3.42Å; L77-N80 PolarHBondContact O-N 2.77Å; L77-F83 HydrophobicContact CD2-CD2 4.29Å; L77-F83 HydrophobicContact CD2-CE2 4.11Å; L77-F83 HydrophobicContact CG-CE2 4.49Å; L77-P114 HydrophobicContact CD1-CB 3.97Å; L77-P114 HydrophobicContact CD1-CG 3.92Å; L77-E182 HydrophobicContact CD1-CG 4.17Å; L77-V183 HydrophobicContact CD1-CG2 4.2Å
78Q92.4Very high92.4Very high99 Ų9949.2 Ų49.246%0.46325%0.249SC..Hα-helixtrans-65.8-29.6176.3-70.1173.5-10.400112.5R74 Y75 H76 N80R74-Q78 WeakPolarHBondContact O-CG 3.49Å; R74-Q78 PolarHBondContact O-N 2.9Å; Y75-Q78 WeakPolarHBondContact O-CB 3.14Å; Y75-Q78 PolarHBondContact O-N 3.27Å; Y75-Q78 VanDerWaalsContact O-N 3.13Å; H76-Q78 PolarHBondContact O-N 3.06Å; Q78-N80 PolarHBondContact O-N 3.5Å
79Q89.4Confident92.6Very high109 Ų10950.5 Ų50.551%0.50925%0.251SS..THydrogen-bonded Turntrans-77.66.8171.2-60.2-48.8-54.200113.4Y75 H76 L77 V81Y75-Q79 HydrophobicContact CD1-CG 4.24Å; Y75-Q79 HydrophobicContact CE1-CG 3.8Å; Y75-Q79 HydrophobicContact CE2-CG 4.43Å; Y75-Q79 WeakPolarHBondContact O-CG 3.5Å; Y75-Q79 PolarHBondContact O-N 3.42Å; H76-Q79 PolarHBondContact O-N 3.43Å; L77-Q79 VanDerWaalsContact C-N 3.26Å; L77-Q79 PolarHBondContact O-N 3.17Å; Q79-V81 HydrophobicContact CB-CG2 4.36Å; Q79-V81 PolarHBondContact O-N 2.87Å
80N88.6Confident93.1Very high140 Ų14048.4 Ų48.475%0.74924%0.24SC*.THydrogen-bonded Turntrans58.231.1-176.8-54.2-77.9000113.4H76 L77 Q78 Q82H76-N80 PolarHBondContact O-N 3.49Å; L77-N80 WeakPolarHBondContact O-CA 3.42Å; L77-N80 PolarHBondContact O-N 2.77Å; Q78-N80 PolarHBondContact O-N 3.5Å; N80-Q82 PolarHBondContact O-N 3.34Å
81V90.6Very high93.6Very high39 Ų3949 Ų4924%0.23624%0.243CC..  trans-61.8127.4171173.70000108.9H76 Q79 F83 F265H76-V81 HydrophobicContact CB-CB 4.15Å; H76-V81 HydrophobicContact CB-CG2 4.06Å; H76-V81 VanDerWaalsContact O-CB 3.27Å; H76-V81 WeakPolarHBondContact O-CB 3.38Å; H76-V81 WeakPolarHBondContact O-CG2 3.43Å; H76-V81 PolarHBondContact O-N 3.39Å; Q79-V81 HydrophobicContact CB-CG2 4.36Å; Q79-V81 PolarHBondContact O-N 2.87Å; V81-F83 HydrophobicContact CB-CE2 4.17Å; V81-F83 HydrophobicContact CB-CZ 4.48Å; V81-F83 HydrophobicContact CG1-CD1 4.39Å; V81-F83 HydrophobicContact CG1-CD2 4.08Å; V81-F83 HydrophobicContact CG1-CE1 4.18Å; V81-F83 HydrophobicContact CG1-CE2 3.86Å; V81-F83 HydrophobicContact CG1-CG 4.36Å; V81-F83 HydrophobicContact CG1-CZ 3.93Å; V81-F265 HydrophobicContact CG1-CD2 4.03Å; V81-F265 HydrophobicContact CG1-CE2 3.63Å; V81-F265 HydrophobicContact CG1-CZ 4.23Å; V81-F265 HydrophobicContact CG2-CE2 4.47Å
82Q89.1Confident94Very high188 Ų18848.7 Ų48.788%0.87924%0.239SC*.  trans-95.1104.2171.2-66.9-174.4-300108.7N80N80-Q82 PolarHBondContact O-N 3.34Å
83F93.9Very high94.2Very high18 Ų1847.4 Ų47.48%0.07923%0.233CC..  trans-71.9138.3175.5-68-86.5000110.5L73 H76 L77 V81 A87 V88 Y91 V183 F265L73-F83 HydrophobicContact CD2-CE1 4.2Å; L73-F83 HydrophobicContact CD2-CZ 3.92Å; H76-F83 HydrophobicContact CB-CE2 3.94Å; H76-F83 HydrophobicContact CB-CZ 3.54Å; L77-F83 HydrophobicContact CD2-CD2 4.29Å; L77-F83 HydrophobicContact CD2-CE2 4.11Å; L77-F83 HydrophobicContact CG-CE2 4.49Å; V81-F83 HydrophobicContact CB-CE2 4.17Å; V81-F83 HydrophobicContact CB-CZ 4.48Å; V81-F83 HydrophobicContact CG1-CD1 4.39Å; V81-F83 HydrophobicContact CG1-CD2 4.08Å; V81-F83 HydrophobicContact CG1-CE1 4.18Å; V81-F83 HydrophobicContact CG1-CE2 3.86Å; V81-F83 HydrophobicContact CG1-CG 4.36Å; V81-F83 HydrophobicContact CG1-CZ 3.93Å; F83-A87 HydrophobicContact CD1-CB 4.44Å; F83-V88 HydrophobicContact CB-CG2 3.88Å; F83-Y91 AromaticContact CD1-CE2 3.8Å; F83-Y91 HydrophobicContact CD1-CE2 3.8Å; F83-Y91 AromaticContact CE1-CE2 3.9Å; F83-Y91 HydrophobicContact CE1-CE2 3.9Å; F83-V183 HydrophobicContact CB-CG1 3.91Å; F83-V183 HydrophobicContact CD2-CG1 3.47Å; F83-V183 VanDerWaalsContact CD2-CG1 3.47Å; F83-V183 HydrophobicContact CE2-CG1 4.08Å; F83-V183 HydrophobicContact CG-CG1 3.72Å; F83-F265 HydrophobicContact CD1-CB 3.95Å; F83-F265 HydrophobicContact CD1-CD1 4.32Å; F83-F265 HydrophobicContact CD1-CD2 4.42Å; F83-F265 AromaticContact CD1-CG 3.99Å; F83-F265 HydrophobicContact CD1-CG 3.99Å; F83-F265 HydrophobicContact CE1-CB 4.08Å; F83-F265 AromaticContact CE1-CD1 3.58Å; F83-F265 HydrophobicContact CE1-CD1 3.58Å; F83-F265 HydrophobicContact CE1-CD2 4.17Å; F83-F265 AromaticContact CE1-CE1 3.97Å; F83-F265 HydrophobicContact CE1-CE1 3.97Å; F83-F265 AromaticContact CE1-CG 3.67Å; F83-F265 HydrophobicContact CE1-CG 3.67Å; F83-F265 HydrophobicContact CE1-CZ 4.42Å; F83-F265 HydrophobicContact CZ-CD1 4.48Å; F83-F265 HydrophobicContact CZ-CE1 4.45Å
84S93.8Very high94.4Very high49 Ų4947.3 Ų47.334%0.34323%0.232SC..  trans-69.3154.7172.464.20000110.7D86 A87 V88S84-D86 PolarHBondContact O-N 3.01Å; S84-A87 WeakPolarHBondContact O-CB 3.35Å; S84-A87 PolarHBondContact O-N 3.32Å; S84-A87 VanDerWaalsContact O-N 3.12Å; S84-A87 WeakPolarHBondContact OG-CB 3.38Å; S84-A87 PolarHBondContact OG-N 2.82Å; S84-A87 VanDerWaalsContact OG-N 3.14Å; S84-V88 PolarHBondContact O-N 2.97Å; S84-V88 VanDerWaalsContact O-N 3.07Å
85E93.3Very high94.5Very high66 Ų6645.5 Ų45.531%0.30823%0.225SC..Hα-helixtrans-59.6-32.1175.8-64.5-174.7171.700112.1R89 L184 P217 Y247E85-R89 VanDerWaalsContact O-CB 3.32Å; E85-R89 WeakPolarHBondContact O-CB 3.43Å; E85-R89 PolarHBondContact O-N 2.78Å; E85-L184 HydrophobicContact CG-CD2 4.31Å; E85-P217 VanDerWaalsContact OE1-CD 3.27Å; E85-P217 WeakPolarHBondContact OE1-CD 3.47Å; E85-P217 VanDerWaalsContact OE2-CD 3.24Å; E85-P217 WeakPolarHBondContact OE2-CD 3.37Å; E85-P217 WeakPolarHBondContact OE2-CG 3.48Å; E85-Y247 PolarHBondContact O-OH 3.31Å
86D94.1Very high94.9Very high96 Ų9643.8 Ų43.851%0.51322%0.218SC..Hα-helixtrans-70.6-38.4176.1-68.1-28.2000112S84 R89 L90S84-D86 PolarHBondContact O-N 3.01Å; D86-R89 WeakPolarHBondContact O-CB 3.31Å; D86-R89 PolarHBondContact O-N 2.93Å; D86-R89 IonicContact OD1-CZ 3.15Å; D86-R89 VanDerWaalsContact OD1-CZ 3.23Å; D86-R89 IonicContact OD1-NH1 3.26Å; D86-R89 PolarHBondContact OD1-NH1 3.32Å; D86-R89 IonicContact OD1-NH2 3.94Å; D86-R89 PolarHBondContact OD1-NH2 2.96Å; D86-R89 VanDerWaalsContact OD1-NH2 3.15Å; D86-L90 PolarHBondContact O-N 3.47Å
87A96.1Very high95.1Very high0 Ų044.3 Ų44.30%022%0.221CC..Hα-helixtrans-61.3-47.9172.700000111F83 S84 R89 L90 Y91 F265F83-A87 HydrophobicContact CD1-CB 4.44Å; S84-A87 WeakPolarHBondContact O-CB 3.35Å; S84-A87 PolarHBondContact O-N 3.32Å; S84-A87 VanDerWaalsContact O-N 3.12Å; S84-A87 WeakPolarHBondContact OG-CB 3.38Å; S84-A87 PolarHBondContact OG-N 2.82Å; S84-A87 VanDerWaalsContact OG-N 3.14Å; A87-R89 VanDerWaalsContact C-N 3.31Å; A87-R89 PolarHBondContact O-N 3.14Å; A87-L90 PolarHBondContact O-N 3.29Å; A87-Y91 HydrophobicContact CB-CE2 4.45Å; A87-Y91 VanDerWaalsContact O-CG 3.31Å; A87-Y91 PolarHBondContact O-N 3.04Å; A87-F265 HydrophobicContact CB-CB 4.23Å
88V97Very high95.4Very high4 Ų443.3 Ų43.32%0.02422%0.216CC..Hα-helixtrans-66.8-34.5178.4-175.50000111.7F83 S84 L90 Y91 L92 A180 V183 L184F83-V88 HydrophobicContact CB-CG2 3.88Å; S84-V88 PolarHBondContact O-N 2.97Å; S84-V88 VanDerWaalsContact O-N 3.07Å; V88-L90 VanDerWaalsContact C-N 3.31Å; V88-L90 PolarHBondContact O-N 3.47Å; V88-Y91 PolarHBondContact O-N 2.9Å; V88-L92 HydrophobicContact CG1-CD1 4.45Å; V88-L92 WeakPolarHBondContact O-CB 3.35Å; V88-L92 WeakPolarHBondContact O-CG 3.28Å; V88-L92 PolarHBondContact O-N 2.85Å; V88-A180 HydrophobicContact CG1-CB 4.15Å; V88-V183 HydrophobicContact CG2-CB 4.38Å; V88-V183 HydrophobicContact CG2-CG1 3.64Å; V88-L184 HydrophobicContact CB-CD2 3.86Å; V88-L184 HydrophobicContact CB-CG 4.1Å; V88-L184 HydrophobicContact CG1-CD1 4.13Å; V88-L184 HydrophobicContact CG1-CD2 4.16Å; V88-L184 HydrophobicContact CG1-CG 3.86Å; V88-L184 HydrophobicContact CG2-CD2 3.71Å; V88-L184 HydrophobicContact CG2-CG 3.95Å
89R97.8Very high95.7Very high56 Ų5638.9 Ų38.921%0.21120%0.196CC..Hα-helixtrans-59-44.9172.9-171.6-177.7-56.8127.117.7110.8E85 D86 A87 L92 C93 Y247 L248E85-R89 VanDerWaalsContact O-CB 3.32Å; E85-R89 WeakPolarHBondContact O-CB 3.43Å; E85-R89 PolarHBondContact O-N 2.78Å; D86-R89 WeakPolarHBondContact O-CB 3.31Å; D86-R89 PolarHBondContact O-N 2.93Å; D86-R89 IonicContact OD1-CZ 3.15Å; D86-R89 VanDerWaalsContact OD1-CZ 3.23Å; D86-R89 IonicContact OD1-NH1 3.26Å; D86-R89 PolarHBondContact OD1-NH1 3.32Å; D86-R89 IonicContact OD1-NH2 3.94Å; D86-R89 PolarHBondContact OD1-NH2 2.96Å; D86-R89 VanDerWaalsContact OD1-NH2 3.15Å; A87-R89 VanDerWaalsContact C-N 3.31Å; A87-R89 PolarHBondContact O-N 3.14Å; R89-L92 WeakPolarHBondContact O-CB 3.39Å; R89-L92 PolarHBondContact O-N 3.06Å; R89-C93 PolarHBondContact O-N 2.78Å; R89-C93 VanDerWaalsContact O-N 3.14Å; R89-C93 PolarHBondContact O-SG 3.12Å; R89-Y247 HydrophobicContact CB-CE1 4.03Å; R89-Y247 HydrophobicContact CG-CD1 4.44Å; R89-Y247 HydrophobicContact CG-CE1 3.73Å; R89-Y247 VanDerWaalsContact NE-CZ 3.26Å; R89-Y247 PolarHBondContact NE-OH 3.31Å; R89-Y247 PolarHBondContact NH2-OH 3.14Å; R89-Y247 VanDerWaalsContact NH2-OH 3.13Å; R89-L248 HydrophobicContact CG-CD2 3.72Å
90L98.3Very high96.2Very high11 Ų1136 Ų366%0.05818%0.184CC..Hα-helixtrans-64.7-46.9177.5-175.660000111.5D86 A87 V88 L92 C93 E94 V256 M261 P263D86-L90 PolarHBondContact O-N 3.47Å; A87-L90 PolarHBondContact O-N 3.29Å; V88-L90 VanDerWaalsContact C-N 3.31Å; V88-L90 PolarHBondContact O-N 3.47Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.38Å; L90-C93 WeakPolarHBondContact O-CA 3.4Å; L90-C93 WeakPolarHBondContact O-CB 3.45Å; L90-C93 PolarHBondContact O-N 2.64Å; L90-E94 HydrophobicContact CD1-CG 4.16Å; L90-E94 HydrophobicContact CG-CG 4.23Å; L90-E94 WeakPolarHBondContact O-CG 3.45Å; L90-E94 PolarHBondContact O-N 3.29Å; L90-V256 HydrophobicContact CD1-CG1 4.28Å; L90-V256 HydrophobicContact CD1-CG2 4.25Å; L90-M261 HydrophobicContact CD1-CB 3.83Å; L90-P263 HydrophobicContact CD2-CB 4.14Å; L90-P263 HydrophobicContact CD2-CG 4.04Å
91Y98.5Very high96.7Very high11 Ų1131.5 Ų31.54%0.04316%0.157CC..Hα-helixtrans-58.5-39.3177-58.2-24000112.4L73 F83 A87 V88 C93 E94 M95 L119 G123 A125L73-Y91 HydrophobicContact CD1-CD2 4.35Å; L73-Y91 HydrophobicContact CD2-CD2 4.44Å; L73-Y91 HydrophobicContact CD2-CE2 3.89Å; F83-Y91 AromaticContact CD1-CE2 3.8Å; F83-Y91 HydrophobicContact CD1-CE2 3.8Å; F83-Y91 AromaticContact CE1-CE2 3.9Å; F83-Y91 HydrophobicContact CE1-CE2 3.9Å; A87-Y91 HydrophobicContact CB-CE2 4.45Å; A87-Y91 VanDerWaalsContact O-CG 3.31Å; A87-Y91 PolarHBondContact O-N 3.04Å; V88-Y91 PolarHBondContact O-N 2.9Å; Y91-C93 VanDerWaalsContact C-N 3.33Å; Y91-C93 PolarHBondContact O-N 3.14Å; Y91-E94 PolarHBondContact O-N 3.48Å; Y91-M95 WeakPolarHBondContact O-CB 3.46Å; Y91-M95 VanDerWaalsContact O-CG 3.23Å; Y91-M95 WeakPolarHBondContact O-CG 3.33Å; Y91-M95 PolarHBondContact O-N 2.78Å; Y91-L119 HydrophobicContact CE1-CD2 3.76Å; Y91-G123 WeakPolarHBondContact CE1-O 3.49Å; Y91-A125 HydrophobicContact CD1-CB 3.78Å; Y91-A125 HydrophobicContact CE1-CB 4.39Å; Y91-A125 HydrophobicContact CG-CB 4.3Å
92L98.5Very high97Very high2 Ų229.7 Ų29.71%0.0115%0.146CC..Hα-helixtrans-58.6-44.3172.5-83.8169.6000111.6V88 R89 L90 T96 L176 A180 L223 L227V88-L92 HydrophobicContact CG1-CD1 4.45Å; V88-L92 WeakPolarHBondContact O-CB 3.35Å; V88-L92 WeakPolarHBondContact O-CG 3.28Å; V88-L92 PolarHBondContact O-N 2.85Å; R89-L92 WeakPolarHBondContact O-CB 3.39Å; R89-L92 PolarHBondContact O-N 3.06Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.38Å; L92-T96 VanDerWaalsContact O-CB 3.25Å; L92-T96 WeakPolarHBondContact O-CB 3.25Å; L92-T96 PolarHBondContact O-N 3.29Å; L92-T96 PolarHBondContact O-OG1 3.3Å; L92-L176 HydrophobicContact CD2-CD1 4.09Å; L92-L176 HydrophobicContact CD2-CD2 4.23Å; L92-L176 HydrophobicContact CD2-CG 3.93Å; L92-A180 HydrophobicContact CD1-CB 4.23Å; L92-A180 HydrophobicContact CD2-CB 3.63Å; L92-A180 HydrophobicContact CG-CB 3.95Å; L92-L223 HydrophobicContact CD1-CD2 4.3Å; L92-L227 HydrophobicContact CD2-CD1 4.11Å
93C98.8Very high97.4Very high2 Ų223.2 Ų23.21%0.01412%0.115CC..Hα-helixtrans-67.3-44.1178.8-67.20000112.7R89 L90 Y91 T96 L97 W253 V256R89-C93 PolarHBondContact O-N 2.78Å; R89-C93 VanDerWaalsContact O-N 3.14Å; R89-C93 PolarHBondContact O-SG 3.12Å; L90-C93 WeakPolarHBondContact O-CA 3.4Å; L90-C93 WeakPolarHBondContact O-CB 3.45Å; L90-C93 PolarHBondContact O-N 2.64Å; Y91-C93 VanDerWaalsContact C-N 3.33Å; Y91-C93 PolarHBondContact O-N 3.14Å; C93-T96 WeakPolarHBondContact O-CB 3.26Å; C93-T96 PolarHBondContact O-N 3.29Å; C93-L97 PolarHBondContact O-N 3.02Å; C93-L97 VanDerWaalsContact O-N 3.09Å; C93-W253 HydrophobicContact CB-CE3 4.45Å; C93-W253 HydrophobicContact CB-CH2 4.16Å; C93-W253 HydrophobicContact CB-CZ3 3.84Å; C93-V256 HydrophobicContact CB-CG1 4.02Å; C93-V256 HydrophobicContact CB-CG2 4.12Å
94E98.8Very high97.6Very high0 Ų025.5 Ų25.50%013%0.133CC..Hα-helixtrans-65.1-45.5-180-65.2175.8155.100111.4F47 L90 Y91 T96 L97 A98 H124 A125 V256F47-E94 HydrophobicContact CD1-CB 3.84Å; F47-E94 HydrophobicContact CD1-CG 3.99Å; F47-E94 HydrophobicContact CD2-CB 4.13Å; F47-E94 WeakPolarHBondContact CD2-O 3.3Å; F47-E94 HydrophobicContact CE1-CB 3.92Å; F47-E94 HydrophobicContact CE1-CG 3.53Å; F47-E94 HydrophobicContact CE2-CB 4.24Å; F47-E94 HydrophobicContact CE2-CG 4.16Å; F47-E94 HydrophobicContact CG-CB 3.96Å; F47-E94 HydrophobicContact CG-CG 4.47Å; F47-E94 HydrophobicContact CZ-CB 4.13Å; F47-E94 HydrophobicContact CZ-CG 3.64Å; L90-E94 HydrophobicContact CD1-CG 4.16Å; L90-E94 HydrophobicContact CG-CG 4.23Å; L90-E94 WeakPolarHBondContact O-CG 3.45Å; L90-E94 PolarHBondContact O-N 3.29Å; Y91-E94 PolarHBondContact O-N 3.48Å; E94-T96 VanDerWaalsContact C-N 3.33Å; E94-T96 PolarHBondContact O-N 2.91Å; E94-L97 PolarHBondContact O-N 2.93Å; E94-A98 PolarHBondContact O-N 3.44Å; E94-H124 WeakPolarHBondContact OE1-CB 3.46Å; E94-H124 IonicContact OE1-CE1 2.84Å; E94-H124 IonicContact OE1-CG 3.61Å; E94-H124 IonicContact OE1-ND1 2.97Å; E94-H124 PolarHBondContact OE1-ND1 2.8Å; E94-A125 WeakPolarHBondContact OE2-CB 3.49Å; E94-A125 PolarHBondContact OE2-N 3.13Å; E94-V256 HydrophobicContact CG-CG1 3.9Å
95M98.8Very high97.7Very high2 Ų226.9 Ų26.91%0.0114%0.135CC..Hα-helixtrans-68.1-33.1175-63.4-61.28800112.1F47 Y91 L97 A98 L99 I117 A125 L127 L176F47-M95 HydrophobicContact CB-CE 4.28Å; Y91-M95 WeakPolarHBondContact O-CB 3.46Å; Y91-M95 VanDerWaalsContact O-CG 3.23Å; Y91-M95 WeakPolarHBondContact O-CG 3.33Å; Y91-M95 PolarHBondContact O-N 2.78Å; M95-L97 VanDerWaalsContact C-N 3.33Å; M95-L97 PolarHBondContact O-N 3.19Å; M95-A98 HydrophobicContact CE-CB 4.36Å; M95-A98 PolarHBondContact O-N 3.09Å; M95-L99 WeakPolarHBondContact O-CB 3.42Å; M95-L99 VanDerWaalsContact O-CG 3.26Å; M95-L99 WeakPolarHBondContact O-CG 3.37Å; M95-L99 PolarHBondContact O-N 3.46Å; M95-I117 HydrophobicContact CG-CD1 4.14Å; M95-I117 HydrophobicContact SD-CD1 3.91Å; M95-I117 HydrophobicContact SD-CG1 3.97Å; M95-I117 HydrophobicContact SD-CG2 4.17Å; M95-A125 HydrophobicContact CE-CB 3.94Å; M95-A125 WeakPolarHBondContact CE-O 3.16Å; M95-L127 HydrophobicContact CE-CB 4.45Å; M95-L127 HydrophobicContact SD-CB 4.11Å; M95-L176 HydrophobicContact CB-CD1 3.59Å; M95-L176 HydrophobicContact CB-CD2 4.07Å; M95-L176 HydrophobicContact CB-CG 4.48Å; M95-L176 HydrophobicContact CG-CD1 4.03Å
96T98.9Very high97.9Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-57.4-47.8172.1-66.90000110.8L92 C93 E94 L99 D100 W173 L239 M242 W253L92-T96 VanDerWaalsContact O-CB 3.25Å; L92-T96 WeakPolarHBondContact O-CB 3.25Å; L92-T96 PolarHBondContact O-N 3.29Å; L92-T96 PolarHBondContact O-OG1 3.3Å; C93-T96 WeakPolarHBondContact O-CB 3.26Å; C93-T96 PolarHBondContact O-N 3.29Å; E94-T96 VanDerWaalsContact C-N 3.33Å; E94-T96 PolarHBondContact O-N 2.91Å; T96-L99 PolarHBondContact O-N 3.49Å; T96-D100 VanDerWaalsContact O-CB 3.29Å; T96-D100 WeakPolarHBondContact O-CB 3.19Å; T96-D100 PolarHBondContact O-N 2.86Å; T96-W173 HydrophobicContact CG2-CH2 3.83Å; T96-W173 HydrophobicContact CG2-CZ3 3.87Å; T96-L239 HydrophobicContact CG2-CB 4.34Å; T96-L239 HydrophobicContact CG2-CD1 3.71Å; T96-M242 HydrophobicContact CG2-CB 3.84Å; T96-M242 HydrophobicContact CG2-CG 3.66Å; T96-M242 WeakPolarHBondContact OG1-CE 3.45Å; T96-W253 HydrophobicContact CG2-CH2 3.79Å; T96-W253 HydrophobicContact CG2-CZ3 3.73Å
97L98.9Very high98.1Very high17 Ų1722.6 Ų22.69%0.08911%0.111CC..Hα-helixtrans-64.9-41.2178.5-69.2170000111.7F47 C93 E94 M95 Y101 L239 W253 V256 Y257F47-L97 HydrophobicContact CD2-CB 4.04Å; F47-L97 HydrophobicContact CD2-CD1 4.26Å; F47-L97 HydrophobicContact CE2-CB 4.33Å; F47-L97 HydrophobicContact CE2-CD1 3.7Å; C93-L97 PolarHBondContact O-N 3.02Å; C93-L97 VanDerWaalsContact O-N 3.09Å; E94-L97 PolarHBondContact O-N 2.93Å; M95-L97 VanDerWaalsContact C-N 3.33Å; M95-L97 PolarHBondContact O-N 3.19Å; L97-Y101 WeakPolarHBondContact O-CB 3.43Å; L97-Y101 PolarHBondContact O-N 2.74Å; L97-L239 HydrophobicContact CD2-CD1 4.11Å; L97-L239 HydrophobicContact CD2-CD2 4.06Å; L97-W253 HydrophobicContact CD1-CE3 4.32Å; L97-W253 HydrophobicContact CD2-CE3 4.08Å; L97-W253 HydrophobicContact CG-CE3 4.06Å; L97-W253 HydrophobicContact CG-CZ3 4.29Å; L97-V256 HydrophobicContact CD1-CB 4.13Å; L97-V256 HydrophobicContact CD1-CG1 3.69Å; L97-Y257 HydrophobicContact CD1-CD2 4.45Å
98A98.9Very high98.2Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-61.2-47.2175.800000112.5F47 L48 E94 M95 Y101 L102F47-A98 HydrophobicContact CB-CB 4.06Å; L48-A98 HydrophobicContact CD2-CB 3.94Å; E94-A98 PolarHBondContact O-N 3.44Å; M95-A98 HydrophobicContact CE-CB 4.36Å; M95-A98 PolarHBondContact O-N 3.09Å; A98-Y101 PolarHBondContact O-N 2.94Å; A98-L102 WeakPolarHBondContact O-CG 3.41Å; A98-L102 PolarHBondContact O-N 2.76Å
99L98.8Very high98.3Very high6 Ų622.4 Ų22.43%0.03111%0.11CC..Hα-helixtrans-69.9-40-178.4-67.3-175.8000112.4M95 T96 Y101 L102 Q103 V112 L127 D172 W173 L176M95-L99 WeakPolarHBondContact O-CB 3.42Å; M95-L99 VanDerWaalsContact O-CG 3.26Å; M95-L99 WeakPolarHBondContact O-CG 3.37Å; M95-L99 PolarHBondContact O-N 3.46Å; T96-L99 PolarHBondContact O-N 3.49Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 3.46Å; L99-L102 HydrophobicContact CD2-CD1 4.39Å; L99-L102 PolarHBondContact O-N 2.73Å; L99-Q103 WeakPolarHBondContact O-CB 3.5Å; L99-Q103 PolarHBondContact O-N 2.91Å; L99-V112 HydrophobicContact CD2-CG2 4.04Å; L99-L127 HydrophobicContact CD2-CD2 4.01Å; L99-D172 HydrophobicContact CD1-CB 4.1Å; L99-D172 HydrophobicContact CD2-CB 3.86Å; L99-W173 HydrophobicContact CB-CH2 4.34Å; L99-W173 HydrophobicContact CB-CZ2 4.01Å; L99-W173 HydrophobicContact CD1-CD2 4.31Å; L99-W173 HydrophobicContact CD1-CE3 4.47Å; L99-L176 HydrophobicContact CD1-CB 4.14Å; L99-L176 HydrophobicContact CD1-CD2 4.01Å
100D98.6Very high98.3Very high49 Ų4920.9 Ų20.926%0.26210%0.104SC..Hα-helixtrans-62.8-40.7175.7-164.578.4000111.1T96 Q103 S104 W173 L239T96-D100 VanDerWaalsContact O-CB 3.29Å; T96-D100 WeakPolarHBondContact O-CB 3.19Å; T96-D100 PolarHBondContact O-N 2.86Å; D100-Q103 PolarHBondContact O-N 3.21Å; D100-S104 PolarHBondContact O-N 3.45Å; D100-W173 HydrophobicContact CB-CH2 4.46Å; D100-W173 HydrophobicContact CB-CZ2 4.41Å; D100-L239 HydrophobicContact CB-CB 3.92Å; D100-L239 WeakPolarHBondContact OD1-CB 3.15Å; D100-L239 PolarHBondContact OD1-N 3.05Å
101Y98.8Very high98.2Very high45 Ų4521 Ų2118%0.17611%0.105CC..Hα-helixtrans-61.4-49.7171.6169.7-101.2000112.2I43 E44 H45 L48 L97 A98 L99 Q103 S104 Q105I43-Y101 VanDerWaalsContact CA-OH 3.31Å; I43-Y101 WeakPolarHBondContact CA-OH 3.4Å; I43-Y101 HydrophobicContact CB-CE1 3.99Å; I43-Y101 HydrophobicContact CG2-CE1 4.27Å; E44-Y101 PolarHBondContact N-OH 3.44Å; E44-Y101 PolarHBondContact O-OH 3.28Å; H45-Y101 HydrophobicContact CB-CD1 3.62Å; H45-Y101 HydrophobicContact CB-CE1 3.71Å; H45-Y101 HydrophobicContact CB-CG 4.12Å; H45-Y101 AromaticContact CD2-CG 3.62Å; H45-Y101 AromaticContact CG-CD1 3.87Å; H45-Y101 AromaticContact CG-CG 3.97Å; L48-Y101 HydrophobicContact CD1-CD1 3.9Å; L48-Y101 HydrophobicContact CD1-CE1 3.84Å; L97-Y101 WeakPolarHBondContact O-CB 3.43Å; L97-Y101 PolarHBondContact O-N 2.74Å; A98-Y101 PolarHBondContact O-N 2.94Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 3.46Å; Y101-Q103 VanDerWaalsContact C-N 3.27Å; Y101-Q103 PolarHBondContact O-N 3.41Å; Y101-S104 WeakPolarHBondContact O-CA 3.43Å; Y101-S104 WeakPolarHBondContact O-CB 3.5Å; Y101-S104 PolarHBondContact O-N 3.05Å; Y101-S104 PolarHBondContact O-OG 2.97Å; Y101-Q105 HydrophobicContact CD2-CG 4.4Å; Y101-Q105 HydrophobicContact CE1-CG 4.11Å; Y101-Q105 HydrophobicContact CE2-CG 3.87Å; Y101-Q105 WeakPolarHBondContact O-CG 3.32Å; Y101-Q105 PolarHBondContact O-N 2.93Å; Y101-Q105 VanDerWaalsContact O-N 3.1Å
102L98.4Very high98.3Very high1 Ų120.5 Ų20.51%0.00510%0.104CC..Hα-helixtrans-58.7-40.3178-72.1179.2000112.2I43 L48 A98 L99 S104 Q105 H106 I107 H109 L127 F130I43-L102 HydrophobicContact CD1-CD2 4.05Å; L48-L102 HydrophobicContact CD1-CD2 3.85Å; L48-L102 HydrophobicContact CD1-CG 4.38Å; L48-L102 HydrophobicContact CD2-CD1 4.42Å; A98-L102 WeakPolarHBondContact O-CG 3.41Å; A98-L102 PolarHBondContact O-N 2.76Å; L99-L102 HydrophobicContact CD2-CD1 4.39Å; L99-L102 PolarHBondContact O-N 2.73Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 3.48Å; L102-Q105 CarbonylContact O-C 3.59Å; L102-Q105 WeakPolarHBondContact O-CA 3.36Å; L102-Q105 PolarHBondContact O-N 3.44Å; L102-H106 PolarHBondContact O-N 3.44Å; L102-H106 VanDerWaalsContact O-N 3.16Å; L102-I107 HydrophobicContact CB-CB 4.38Å; L102-I107 HydrophobicContact CD2-CB 4.33Å; L102-I107 HydrophobicContact CD2-CD1 4.37Å; L102-I107 HydrophobicContact CD2-CG2 4.15Å; L102-I107 PolarHBondContact O-N 3Å; L102-H109 HydrophobicContact CD1-CB 4.33Å; L102-L127 HydrophobicContact CD1-CD2 3.99Å; L102-F130 HydrophobicContact CD1-CE1 3.89Å; L102-F130 HydrophobicContact CD1-CZ 4.13Å; L102-F130 HydrophobicContact CD2-CE1 3.68Å; L102-F130 HydrophobicContact CD2-CZ 4.03Å; L102-F130 HydrophobicContact CG-CE1 4.46Å
103Q97.1Very high98.3Very high52 Ų5221.7 Ų21.724%0.24311%0.108CC..Hα-helixtrans-62.2-39.8174.7177.7167.7-2100111.9L99 D100 Y101 Q105 H106 F169 S237L99-Q103 WeakPolarHBondContact O-CB 3.5Å; L99-Q103 PolarHBondContact O-N 2.91Å; D100-Q103 PolarHBondContact O-N 3.21Å; Y101-Q103 VanDerWaalsContact C-N 3.27Å; Y101-Q103 PolarHBondContact O-N 3.41Å; Q103-Q105 PolarHBondContact O-N 2.95Å; Q103-H106 PolarHBondContact O-N 3.44Å; Q103-F169 HydrophobicContact CB-CB 4.44Å; Q103-F169 HydrophobicContact CB-CD1 4.16Å; Q103-F169 HydrophobicContact CB-CG 4.23Å; Q103-F169 HydrophobicContact CG-CB 4.02Å; Q103-F169 HydrophobicContact CG-CD1 4.01Å; Q103-F169 HydrophobicContact CG-CD2 3.85Å; Q103-F169 HydrophobicContact CG-CE1 4.45Å; Q103-F169 HydrophobicContact CG-CE2 4.31Å; Q103-F169 HydrophobicContact CG-CG 3.68Å; Q103-S237 PolarHBondContact OE1-O 2.73Å
104S96.9Very high98.2Very high66 Ų6621.6 Ų21.646%0.46211%0.108SC..Hα-helixtrans-63.3-24.6172.784.10000113.5D100 Y101 L102 H106D100-S104 PolarHBondContact O-N 3.45Å; Y101-S104 WeakPolarHBondContact O-CA 3.43Å; Y101-S104 WeakPolarHBondContact O-CB 3.5Å; Y101-S104 PolarHBondContact O-N 3.05Å; Y101-S104 PolarHBondContact O-OG 2.97Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 3.48Å; S104-H106 VanDerWaalsContact C-N 3.33Å
105Q97.6Very high98.1Very high78 Ų7824.7 Ų24.736%0.36413%0.125SC..THydrogen-bonded Turntrans-9410.7174.7-58.7-49.6-61.900112.6I43 Y101 L102 Q103 I107I43-Q105 HydrophobicContact CG2-CB 4.4Å; I43-Q105 HydrophobicContact CG2-CG 4.3Å; Y101-Q105 HydrophobicContact CD2-CG 4.4Å; Y101-Q105 HydrophobicContact CE1-CG 4.11Å; Y101-Q105 HydrophobicContact CE2-CG 3.87Å; Y101-Q105 WeakPolarHBondContact O-CG 3.32Å; Y101-Q105 PolarHBondContact O-N 2.93Å; Y101-Q105 VanDerWaalsContact O-N 3.1Å; L102-Q105 CarbonylContact O-C 3.59Å; L102-Q105 WeakPolarHBondContact O-CA 3.36Å; L102-Q105 PolarHBondContact O-N 3.44Å; Q103-Q105 PolarHBondContact O-N 2.95Å; Q105-I107 HydrophobicContact CB-CD1 3.86Å; Q105-I107 HydrophobicContact CB-CG1 4.44Å; Q105-I107 PolarHBondContact O-N 3.28Å
106H97.2Very high98.1Very high67 Ų6725.1 Ų25.131%0.3113%0.127SC..THydrogen-bonded Turntrans60.527.2-179.9-59-73.8000114.3L102 Q103 S104 I135 I136 D138L102-H106 PolarHBondContact O-N 3.44Å; L102-H106 VanDerWaalsContact O-N 3.16Å; Q103-H106 PolarHBondContact O-N 3.44Å; S104-H106 VanDerWaalsContact C-N 3.33Å; H106-I135 HydrophobicContact CB-CG2 4.25Å; H106-I135 CarbonylContact O-C 3.53Å; H106-I135 VanDerWaalsContact O-CA 3.26Å; H106-I135 WeakPolarHBondContact O-CA 3.29Å; H106-I136 WeakPolarHBondContact CB-O 3.35Å; H106-I136 PolarHBondContact O-N 3.37Å; H106-D138 IonicContact CE1-OD1 3.72Å; H106-D138 PolarHBondContact CE1-OD1 2.97Å; H106-D138 IonicContact CE1-OD2 3.13Å; H106-D138 IonicContact ND1-OD1 3.46Å; H106-D138 PolarHBondContact ND1-OD1 2.93Å
107I97.8Very high98.1Very high5 Ų525.3 Ų25.33%0.02613%0.128CC..EExtended strand (participates in β ladder)trans-105.7134.4-178.3-68156.1000110.7I39 I43 L102 Q105 F130 A133 T134 I135I39-I107 HydrophobicContact CG2-CD1 3.81Å; I39-I107 HydrophobicContact CG2-CG1 4.38Å; I39-I107 HydrophobicContact CG2-CG2 4.42Å; I43-I107 HydrophobicContact CG2-CD1 3.44Å; I43-I107 VanDerWaalsContact CG2-CD1 3.44Å; L102-I107 HydrophobicContact CB-CB 4.38Å; L102-I107 HydrophobicContact CD2-CB 4.33Å; L102-I107 HydrophobicContact CD2-CD1 4.37Å; L102-I107 HydrophobicContact CD2-CG2 4.15Å; L102-I107 PolarHBondContact O-N 3Å; Q105-I107 HydrophobicContact CB-CD1 3.86Å; Q105-I107 HydrophobicContact CB-CG1 4.44Å; Q105-I107 PolarHBondContact O-N 3.28Å; I107-F130 HydrophobicContact CG2-CE1 4.47Å; I107-A133 HydrophobicContact CG2-CB 4.28Å; I107-T134 WeakPolarHBondContact CA-O 3.37Å; I107-I135 HydrophobicContact CG1-CG1 4.02Å
108I97.9Very high98Very high0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-106.3127.4164-43.5171.8000107.8R110 A133 T134 I136 A142 Y167 F169 V171 D172I108-R110 HydrophobicContact CB-CG 4.06Å; I108-R110 HydrophobicContact CG2-CG 3.51Å; I108-A133 CarbonylContact O-C 3.41Å; I108-A133 WeakPolarHBondContact O-CA 3.18Å; I108-A133 WeakPolarHBondContact O-CB 3.33Å; I108-T134 HydrophobicContact CB-CG2 4.21Å; I108-T134 HydrophobicContact CD1-CG2 4.22Å; I108-T134 HydrophobicContact CG1-CG2 4.44Å; I108-T134 PolarHBondContact N-O 3.45Å; I108-T134 PolarHBondContact O-N 3.42Å; I108-I136 HydrophobicContact CD1-CD1 3.64Å; I108-I136 HydrophobicContact CD1-CG1 3.86Å; I108-I136 HydrophobicContact CD1-CG2 3.87Å; I108-I136 HydrophobicContact CG1-CD1 3.93Å; I108-I136 HydrophobicContact CG1-CG1 3.87Å; I108-A142 HydrophobicContact CD1-CB 4.35Å; I108-Y167 HydrophobicContact CD1-CD2 4.45Å; I108-Y167 HydrophobicContact CD1-CE2 4.44Å; I108-F169 HydrophobicContact CG1-CD1 3.83Å; I108-F169 HydrophobicContact CG1-CE1 4.1Å; I108-V171 HydrophobicContact CG2-CG2 3.56Å; I108-D172 WeakPolarHBondContact CG2-OD2 3.24Å
109H98.4Very high97.8Very high0 Ų026.2 Ų26.20%013%0.132CC..  trans-75.3-44.7178.9-171.4-62.2000112.6L102 D111 V112 L127 T128 D129 F130 D172L102-H109 HydrophobicContact CD1-CB 4.33Å; H109-D111 PolarHBondContact ND1-N 2.86Å; H109-D111 PolarHBondContact O-N 3.44Å; H109-V112 HydrophobicContact CB-CG2 4.3Å; H109-L127 HydrophobicContact CB-CD2 4.49Å; H109-L127 WeakPolarHBondContact CD2-CD2 3.47Å; H109-T128 PolarHBondContact CE1-O 2.86Å; H109-T128 PolarHBondContact NE2-O 3.42Å; H109-D129 PolarHBondContact CE1-O 3Å; H109-D129 PolarHBondContact NE2-O 3.18Å; H109-F130 AromaticContact CD2-CE1 3.88Å; H109-D172 PolarHBondContact N-OD2 2.75Å
110R98Very high97.5Very high24 Ų2426.3 Ų26.39%0.09113%0.133CC..  trans65.96.9178.9-53.3-170.8-68.3-175.6-5.7117I108 I132 G147 Y167 D172I108-R110 HydrophobicContact CB-CG 4.06Å; I108-R110 HydrophobicContact CG2-CG 3.51Å; R110-I132 HydrophobicContact CB-CD1 4.11Å; R110-I132 HydrophobicContact CB-CG1 4.46Å; R110-I132 PolarHBondContact NE-O 3.04Å; R110-I132 PolarHBondContact NH2-O 3.11Å; R110-G147 VanDerWaalsContact O-CA 3.31Å; R110-G147 WeakPolarHBondContact O-CA 3.4Å; R110-Y167 WeakPolarHBondContact CD-OH 3.38Å; R110-Y167 HydrophobicContact CG-CE2 4.36Å; R110-Y167 PolarHBondContact NH1-OH 3Å; R110-Y167 VanDerWaalsContact NH1-OH 3.16Å; R110-D172 WeakPolarHBondContact CA-OD1 3.41Å; R110-D172 PolarHBondContact N-OD1 3.37Å
111D97.6Very high97.1Very high14 Ų1428.9 Ų28.98%0.07514%0.143CC..  trans-147.139.4-179.4-146.328.1000113.3H109 K113 N116 I132 T148H109-D111 PolarHBondContact ND1-N 2.86Å; H109-D111 PolarHBondContact O-N 3.44Å; D111-K113 VanDerWaalsContact CG-NZ 3.35Å; D111-K113 PolarHBondContact O-N 3.42Å; D111-K113 IonicContact OD1-NZ 2.76Å; D111-K113 PolarHBondContact OD1-NZ 3.1Å; D111-K113 WeakPolarHBondContact OD2-CE 3.43Å; D111-K113 IonicContact OD2-NZ 2.64Å; D111-K113 PolarHBondContact OD2-NZ 3.28Å; D111-N116 PolarHBondContact O-ND2 3.01Å; D111-N116 PolarHBondContact OD2-ND2 3.1Å; D111-I132 HydrophobicContact CB-CD1 3.87Å; D111-I132 HydrophobicContact CB-CG1 3.98Å; D111-T148 WeakPolarHBondContact OD1-CB 3.48Å; D111-T148 PolarHBondContact OD1-N 3.47Å; D111-T148 PolarHBondContact OD1-OG1 3.32Å
112V98.8Very high96.7Very high1 Ų131.6 Ų31.61%0.00616%0.158CC..  trans-71.5113.7173.3-178.10000109.1L99 H109 I117 L127 D172 S175 L176L99-V112 HydrophobicContact CD2-CG2 4.04Å; H109-V112 HydrophobicContact CB-CG2 4.3Å; V112-I117 HydrophobicContact CG1-CD1 4.32Å; V112-L127 HydrophobicContact CG2-CD1 4.24Å; V112-L127 HydrophobicContact CG2-CD2 4.35Å; V112-D172 HydrophobicContact CG2-CB 4.17Å; V112-S175 WeakPolarHBondContact O-CB 3.27Å; V112-L176 HydrophobicContact CG1-CB 4.5Å
113K98.4Very high96.5Very high26 Ų2631.5 Ų31.511%0.11316%0.157CC..SBendtrans-160.1165.2-178.962.6-175.8167.2-169.30109.9D111 D115 N116 I117 T148 Y151 T179D111-K113 VanDerWaalsContact CG-NZ 3.35Å; D111-K113 PolarHBondContact O-N 3.42Å; D111-K113 IonicContact OD1-NZ 2.76Å; D111-K113 PolarHBondContact OD1-NZ 3.1Å; D111-K113 WeakPolarHBondContact OD2-CE 3.43Å; D111-K113 IonicContact OD2-NZ 2.64Å; D111-K113 PolarHBondContact OD2-NZ 3.28Å; K113-D115 HydrophobicContact CD-CB 4.09Å; K113-D115 HydrophobicContact CG-CB 4.03Å; K113-D115 PolarHBondContact O-N 2.91Å; K113-D115 VanDerWaalsContact O-N 3.11Å; K113-N116 VanDerWaalsContact CE-ND2 3.25Å; K113-N116 WeakPolarHBondContact CE-ND2 3.42Å; K113-N116 HydrophobicContact CG-CB 4.25Å; K113-N116 PolarHBondContact O-N 2.84Å; K113-I117 PolarHBondContact O-N 3Å; K113-T148 HydrophobicContact CD-CG2 4.34Å; K113-T148 PolarHBondContact NZ-OG1 2.9Å; K113-Y151 HydrophobicContact CB-CD1 3.85Å; K113-Y151 HydrophobicContact CB-CD2 3.79Å; K113-Y151 HydrophobicContact CB-CE1 3.89Å; K113-Y151 HydrophobicContact CB-CE2 3.81Å; K113-Y151 HydrophobicContact CB-CG 3.83Å; K113-Y151 HydrophobicContact CD-CD2 4.38Å; K113-Y151 HydrophobicContact CD-CE2 4.4Å; K113-T179 WeakPolarHBondContact CA-OG1 3.29Å
114P98.2Very high96.5Very high0 Ų029.4 Ų29.40%015%0.148CC..G310 helixtrans-53.7-34.2179.3-27.735000114.7L73 R74 L77 N116 I117 T179 E182L73-P114 HydrophobicContact CB-CB 3.88Å; L73-P114 WeakPolarHBondContact CB-O 3.38Å; L73-P114 PolarHBondContact N-O 3.26Å; L73-P114 VanDerWaalsContact N-O 3.13Å; R74-P114 HydrophobicContact CB-CB 3.98Å; R74-P114 PolarHBondContact N-O 3.16Å; L77-P114 HydrophobicContact CD1-CB 3.97Å; L77-P114 HydrophobicContact CD1-CG 3.92Å; P114-N116 PolarHBondContact O-N 3.04Å; P114-I117 PolarHBondContact O-N 2.96Å; P114-T179 HydrophobicContact CG-CG2 4.06Å; P114-E182 WeakPolarHBondContact CG-OE2 3.31Å
115D96.9Very high96.6Very high66 Ų6626.3 Ų26.335%0.35313%0.126SC..G310 helixtrans-64.4-26.3179.4-50.8-122.1000113R74 K113R74-D115 HydrophobicContact CB-CB 4.23Å; R74-D115 WeakPolarHBondContact CG-OD1 3.2Å; R74-D115 IonicContact CZ-OD2 3.07Å; R74-D115 IonicContact NE-OD1 2.89Å; R74-D115 IonicContact NE-OD2 3.46Å; R74-D115 PolarHBondContact NE-OD2 2.91Å; R74-D115 VanDerWaalsContact NE-OD2 3.13Å; R74-D115 IonicContact NH2-OD2 3.8Å; R74-D115 PolarHBondContact NH2-OD2 3.33Å; K113-D115 HydrophobicContact CD-CB 4.09Å; K113-D115 HydrophobicContact CG-CB 4.03Å; K113-D115 PolarHBondContact O-N 2.91Å; K113-D115 VanDerWaalsContact O-N 3.11Å
116N98Very high96.6Very high10 Ų1023 Ų235%0.05311%0.11CC..G310 helixtrans-109.411.9-175.9-70.3-5000112.7D111 K113 P114 T128D111-N116 PolarHBondContact O-ND2 3.01Å; D111-N116 PolarHBondContact OD2-ND2 3.1Å; K113-N116 VanDerWaalsContact CE-ND2 3.25Å; K113-N116 WeakPolarHBondContact CE-ND2 3.42Å; K113-N116 HydrophobicContact CG-CB 4.25Å; K113-N116 PolarHBondContact O-N 2.84Å; P114-N116 PolarHBondContact O-N 3.04Å; N116-T128 HydrophobicContact CB-CG2 4.49Å; N116-T128 WeakPolarHBondContact O-CG2 3.46Å; N116-T128 PolarHBondContact O-N 3.32Å
117I98.4Very high96.7Very high4 Ų419.8 Ų19.82%0.02110%0.095CC..EExtended strand (participates in β ladder)trans-115.6109.5173.6-61.5174000107.7D72 L73 M95 V112 K113 P114 A125 H126 L127 T179D72-I117 CarbonylContact C-O 3.59Å; D72-I117 WeakPolarHBondContact CA-O 3.26Å; L73-I117 HydrophobicContact CD1-CB 3.87Å; L73-I117 HydrophobicContact CD1-CD1 4.31Å; L73-I117 HydrophobicContact CD1-CG2 3.59Å; L73-I117 HydrophobicContact CG-CB 4.17Å; L73-I117 HydrophobicContact CG-CG2 3.97Å; L73-I117 PolarHBondContact N-O 3.29Å; M95-I117 HydrophobicContact CG-CD1 4.14Å; M95-I117 HydrophobicContact SD-CD1 3.91Å; M95-I117 HydrophobicContact SD-CG1 3.97Å; M95-I117 HydrophobicContact SD-CG2 4.17Å; V112-I117 HydrophobicContact CG1-CD1 4.32Å; K113-I117 PolarHBondContact O-N 3Å; P114-I117 PolarHBondContact O-N 2.96Å; I117-A125 HydrophobicContact CG2-CB 3.64Å; I117-H126 CarbonylContact C-O 3.51Å; I117-H126 WeakPolarHBondContact CA-O 3.47Å; I117-L127 HydrophobicContact CG1-CD1 4.23Å; I117-T179 HydrophobicContact CD1-CG2 3.82Å
118L96.6Very high96.6Very high36 Ų3621 Ų2119%0.18810%0.103CC..EExtended strand (participates in β ladder)trans-97.1144.4-178.6-56.5-170.9000110.7V49 L68 G71 D72 A125 H126 T128V49-L118 HydrophobicContact CG2-CD1 4.17Å; L68-L118 HydrophobicContact CB-CB 4.02Å; L68-L118 HydrophobicContact CB-CD1 4.22Å; L68-L118 HydrophobicContact CD1-CB 3.54Å; L68-L118 HydrophobicContact CD1-CD1 4.14Å; L68-L118 HydrophobicContact CD1-CG 4.41Å; L68-L118 HydrophobicContact CG-CB 4.43Å; G71-L118 CarbonylContact O-C 3.34Å; G71-L118 WeakPolarHBondContact O-CA 3.34Å; D72-L118 HydrophobicContact CB-CD2 3.55Å; L118-A125 CarbonylContact O-C 3.56Å; L118-A125 WeakPolarHBondContact O-CA 3.32Å; L118-H126 PolarHBondContact N-O 3.15Å; L118-H126 PolarHBondContact O-N 2.86Å; L118-T128 HydrophobicContact CD1-CG2 3.91Å; L118-T128 HydrophobicContact CD2-CG2 4.24Å; L118-T128 HydrophobicContact CG-CG2 3.73Å
119L95.9Very high96.4Very high0 Ų023 Ų230%011%0.114CC..EExtended strand (participates in β ladder)trans-95.6138.1172.4-61.5-179.2000110.5G70 G71 L73 Y91 H124 A125 F265 P267G70-L119 WeakPolarHBondContact CA-O 3.37Å; G70-L119 PolarHBondContact N-O 2.95Å; G71-L119 PolarHBondContact O-N 3.07Å; L73-L119 HydrophobicContact CD2-CD1 3.89Å; L73-L119 HydrophobicContact CD2-CD2 3.94Å; L73-L119 HydrophobicContact CD2-CG 3.96Å; Y91-L119 HydrophobicContact CE1-CD2 3.76Å; L119-H124 WeakPolarHBondContact CA-O 3.37Å; L119-A125 HydrophobicContact CD2-CB 4.2Å; L119-F265 HydrophobicContact CD1-CD1 3.72Å; L119-F265 HydrophobicContact CD1-CE1 3.62Å; L119-P267 HydrophobicContact CB-CG 4Å; L119-P267 HydrophobicContact CD1-CG 4Å
120D92.5Very high96.3Very high9 Ų923.2 Ų23.25%0.04812%0.115CC..  trans-77.7178.9164.971.716.7000111.6L68 Q122 G123 H124 H126 K259L68-D120 HydrophobicContact CD2-CB 3.88Å; D120-Q122 PolarHBondContact O-N 3.43Å; D120-Q122 WeakPolarHBondContact OD1-CA 3.37Å; D120-Q122 WeakPolarHBondContact OD1-CB 3.47Å; D120-Q122 PolarHBondContact OD1-N 3.14Å; D120-G123 PolarHBondContact O-N 3.07Å; D120-G123 PolarHBondContact OD1-N 3.12Å; D120-H124 PolarHBondContact N-O 3.46Å; D120-H124 IonicContact OD1-CD2 2.67Å; D120-H124 PolarHBondContact OD1-N 3.25Å; D120-H124 WeakPolarHBondContact OD2-CB 3.32Å; D120-H124 IonicContact OD2-CD2 3.8Å; D120-H124 IonicContact OD2-CG 3.76Å; D120-H126 IonicContact OD2-CE1 3.42Å; D120-H126 PolarHBondContact OD2-CE1 3.08Å; D120-H126 VanDerWaalsContact OD2-CE1 3.26Å; D120-H126 IonicContact OD2-NE2 3.47Å; D120-K259 IonicContact OD2-NZ 3.3Å; D120-K259 PolarHBondContact OD2-NZ 3.38Å; D120-K259 VanDerWaalsContact OD2-NZ 3.15Å
121E88.8Confident95.9Very high102 Ų10224.6 Ų24.648%0.47712%0.124SC..THydrogen-bonded Turntrans-67.4-17.7179.3-65.5-174.214500113.8L69L69-E121 HydrophobicContact CB-CG 3.9Å; L69-E121 HydrophobicContact CD1-CG 4.07Å; L69-E121 WeakPolarHBondContact CD1-OE1 3.48Å; L69-E121 HydrophobicContact CG-CG 4.49Å
122Q91.3Very high95.7Very high102 Ų10226.2 Ų26.248%0.47713%0.132SC..THydrogen-bonded Turntrans-90.1-18177-67.17558.400111.1D120 P263D120-Q122 PolarHBondContact O-N 3.43Å; D120-Q122 WeakPolarHBondContact OD1-CA 3.37Å; D120-Q122 WeakPolarHBondContact OD1-CB 3.47Å; D120-Q122 PolarHBondContact OD1-N 3.14Å; Q122-P263 VanDerWaalsContact O-CG 3.25Å; Q122-P263 WeakPolarHBondContact O-CG 3.35Å
123G94Very high95.6Very high0 Ų026.1 Ų26.10%013%0.132CC..  trans10114.3179.900000114Y91 D120Y91-G123 WeakPolarHBondContact CE1-O 3.49Å; D120-G123 PolarHBondContact O-N 3.07Å; D120-G123 PolarHBondContact OD1-N 3.12Å
124H97.8Very high95.4Very high8 Ų826.1 Ų26.14%0.03713%0.134CC..  trans-83.9139.1175.3-60.1-74.8000111.6F47 E94 L119 D120 H126 K259 M261F47-H124 HydrophobicContact CE1-CB 4.45Å; E94-H124 WeakPolarHBondContact OE1-CB 3.46Å; E94-H124 IonicContact OE1-CE1 2.84Å; E94-H124 IonicContact OE1-CG 3.61Å; E94-H124 IonicContact OE1-ND1 2.97Å; E94-H124 PolarHBondContact OE1-ND1 2.8Å; L119-H124 WeakPolarHBondContact CA-O 3.37Å; D120-H124 PolarHBondContact N-O 3.46Å; D120-H124 IonicContact OD1-CD2 2.67Å; D120-H124 PolarHBondContact OD1-N 3.25Å; D120-H124 WeakPolarHBondContact OD2-CB 3.32Å; D120-H124 IonicContact OD2-CD2 3.8Å; D120-H124 IonicContact OD2-CG 3.76Å; H124-H126 PolarHBondContact O-CE1 2.93Å; H124-H126 VanDerWaalsContact O-CE1 3.32Å; H124-H126 PolarHBondContact O-ND1 3.17Å; H124-K259 HydrophobicContact CB-CD 4.43Å; H124-M261 PolarHBondContact CE1-O 3.45Å
125A98.1Very high95.3Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-81.8136.3-179.700000112.3F47 Y91 E94 M95 I117 L118 L119F47-A125 WeakPolarHBondContact CD1-O 3.35Å; Y91-A125 HydrophobicContact CD1-CB 3.78Å; Y91-A125 HydrophobicContact CE1-CB 4.39Å; Y91-A125 HydrophobicContact CG-CB 4.3Å; E94-A125 WeakPolarHBondContact OE2-CB 3.49Å; E94-A125 PolarHBondContact OE2-N 3.13Å; M95-A125 HydrophobicContact CE-CB 3.94Å; M95-A125 WeakPolarHBondContact CE-O 3.16Å; I117-A125 HydrophobicContact CG2-CB 3.64Å; L118-A125 CarbonylContact O-C 3.56Å; L118-A125 WeakPolarHBondContact O-CA 3.32Å; L119-A125 HydrophobicContact CD2-CB 4.2Å
126H98.6Very high95.1Very high8 Ų827.9 Ų27.94%0.03714%0.142CC..EExtended strand (participates in β ladder)trans-131133.1176.5-57.267.5000109.9V46 F47 V49 L68 I117 L118 D120 H124 K259V46-H126 PolarHBondContact O-CD2 2.7Å; V46-H126 PolarHBondContact O-NE2 3.42Å; F47-H126 CarbonylContact O-C 3.59Å; F47-H126 VanDerWaalsContact O-CA 3.28Å; F47-H126 WeakPolarHBondContact O-CA 3.36Å; V49-H126 HydrophobicContact CG2-CB 4.15Å; L68-H126 HydrophobicContact CD1-CB 3.4Å; L68-H126 VanDerWaalsContact CD1-CB 3.4Å; I117-H126 CarbonylContact C-O 3.51Å; I117-H126 WeakPolarHBondContact CA-O 3.47Å; L118-H126 PolarHBondContact N-O 3.15Å; L118-H126 PolarHBondContact O-N 2.86Å; D120-H126 IonicContact OD2-CE1 3.42Å; D120-H126 PolarHBondContact OD2-CE1 3.08Å; D120-H126 VanDerWaalsContact OD2-CE1 3.26Å; D120-H126 IonicContact OD2-NE2 3.47Å; H124-H126 PolarHBondContact O-CE1 2.93Å; H124-H126 VanDerWaalsContact O-CE1 3.32Å; H124-H126 PolarHBondContact O-ND1 3.17Å; H126-K259 PolarHBondContact CE1-NZ 3.12Å; H126-K259 PolarHBondContact NE2-NZ 3.08Å
127L98.8Very high94.6Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-81.2136.8175.5-17362.7000110.2F47 L48 V49 M95 L99 L102 H109 V112 I117F47-L127 PolarHBondContact O-N 3.26Å; L48-L127 HydrophobicContact CD2-CB 3.78Å; L48-L127 HydrophobicContact CD2-CD2 4.27Å; L48-L127 HydrophobicContact CD2-CG 4.44Å; V49-L127 PolarHBondContact N-O 3.45Å; M95-L127 HydrophobicContact CE-CB 4.45Å; M95-L127 HydrophobicContact SD-CB 4.11Å; L99-L127 HydrophobicContact CD2-CD2 4.01Å; L102-L127 HydrophobicContact CD1-CD2 3.99Å; H109-L127 HydrophobicContact CB-CD2 4.49Å; H109-L127 WeakPolarHBondContact CD2-CD2 3.47Å; V112-L127 HydrophobicContact CG2-CD1 4.24Å; V112-L127 HydrophobicContact CG2-CD2 4.35Å; I117-L127 HydrophobicContact CG1-CD1 4.23Å
128T96.6Very high93.9Very high30 Ų3040.4 Ų40.418%0.18420%0.202CC..  trans-136.3176179.6-164.50000111.2H109 N116 L118H109-T128 PolarHBondContact CE1-O 2.86Å; H109-T128 PolarHBondContact NE2-O 3.42Å; N116-T128 HydrophobicContact CB-CG2 4.49Å; N116-T128 WeakPolarHBondContact O-CG2 3.46Å; N116-T128 PolarHBondContact O-N 3.32Å; L118-T128 HydrophobicContact CD1-CG2 3.91Å; L118-T128 HydrophobicContact CD2-CG2 4.24Å; L118-T128 HydrophobicContact CG-CG2 3.73Å
129D93.1Very high93.1Very high44 Ų4442.8 Ų42.824%0.23524%0.236CC..  trans67.678.1174.9-164.28.7000115.3H109 N131H109-D129 PolarHBondContact CE1-O 3Å; H109-D129 PolarHBondContact NE2-O 3.18Å; D129-N131 VanDerWaalsContact C-N 3.29Å; D129-N131 PolarHBondContact O-N 2.93Å; D129-N131 WeakPolarHBondContact OD1-CB 3.23Å; D129-N131 PolarHBondContact OD1-N 3.13Å; D129-N131 PolarHBondContact OD1-ND2 3.22Å
130F95.2Very high92.9Very high3 Ų347.6 Ų47.61%0.01326%0.258CS..  trans-8814.9178.7-71.8-99.8000113.5E36 I39 L40 I43 L48 L102 I107 H109 I132 A133E36-F130 HydrophobicContact CG-CB 4.05Å; I39-F130 HydrophobicContact CG2-CD1 3.84Å; I39-F130 HydrophobicContact CG2-CE1 4.46Å; I39-F130 HydrophobicContact CG2-CG 4.42Å; L40-F130 HydrophobicContact CD2-CB 4.45Å; L40-F130 HydrophobicContact CD2-CD2 3.64Å; L40-F130 HydrophobicContact CD2-CE2 4.11Å; L40-F130 HydrophobicContact CD2-CG 4.14Å; L40-F130 HydrophobicContact CG-CB 4.45Å; I43-F130 HydrophobicContact CD1-CD1 4.22Å; I43-F130 HydrophobicContact CD1-CE1 3.68Å; I43-F130 HydrophobicContact CD1-CE2 4.21Å; I43-F130 HydrophobicContact CD1-CZ 3.67Å; L48-F130 HydrophobicContact CD1-CZ 4.21Å; L48-F130 HydrophobicContact CD2-CZ 4.02Å; L102-F130 HydrophobicContact CD1-CE1 3.89Å; L102-F130 HydrophobicContact CD1-CZ 4.13Å; L102-F130 HydrophobicContact CD2-CE1 3.68Å; L102-F130 HydrophobicContact CD2-CZ 4.03Å; L102-F130 HydrophobicContact CG-CE1 4.46Å; I107-F130 HydrophobicContact CG2-CE1 4.47Å; H109-F130 AromaticContact CD2-CE1 3.88Å; F130-I132 PolarHBondContact O-N 3.32Å; F130-I132 VanDerWaalsContact O-N 3.09Å; F130-A133 HydrophobicContact CB-CB 3.97Å; F130-A133 HydrophobicContact CD1-CB 3.73Å; F130-A133 HydrophobicContact CG-CB 4.32Å; F130-A133 WeakPolarHBondContact O-CB 3.34Å; F130-A133 PolarHBondContact O-N 3.29Å
131N90.3Very high92.9Very high54 Ų5452.6 Ų52.629%0.28928%0.276SS..THydrogen-bonded Turntrans-51.2-38.6-176.8-77.3-33.1000113.6K17 E36 D129K17-N131 PolarHBondContact NZ-OD1 3.24Å; E36-N131 PolarHBondContact OE1-OD1 3.26Å; E36-N131 PolarHBondContact OE2-OD1 3.4Å; D129-N131 VanDerWaalsContact C-N 3.29Å; D129-N131 PolarHBondContact O-N 2.93Å; D129-N131 WeakPolarHBondContact OD1-CB 3.23Å; D129-N131 PolarHBondContact OD1-N 3.13Å; D129-N131 PolarHBondContact OD1-ND2 3.22Å
132I93.4Very high93.1Very high47 Ų4748.4 Ų48.424%0.24126%0.259CS..THydrogen-bonded Turntrans-11116.5179.366.7158.6000112.5R110 D111 F130 A146R110-I132 HydrophobicContact CB-CD1 4.11Å; R110-I132 HydrophobicContact CB-CG1 4.46Å; R110-I132 PolarHBondContact NE-O 3.04Å; R110-I132 PolarHBondContact NH2-O 3.11Å; D111-I132 HydrophobicContact CB-CD1 3.87Å; D111-I132 HydrophobicContact CB-CG1 3.98Å; F130-I132 PolarHBondContact O-N 3.32Å; F130-I132 VanDerWaalsContact O-N 3.09Å; I132-A146 HydrophobicContact CD1-CB 4.38Å
133A96.4Very high93.2Very high0 Ų047.7 Ų47.70%026%0.262CS..  trans-66.5159172.100000111R35 I39 I107 I108 F130R35-A133 WeakPolarHBondContact CD-O 3.35Å; I39-A133 HydrophobicContact CD1-CB 3.75Å; I107-A133 HydrophobicContact CG2-CB 4.28Å; I108-A133 CarbonylContact O-C 3.41Å; I108-A133 WeakPolarHBondContact O-CA 3.18Å; I108-A133 WeakPolarHBondContact O-CB 3.33Å; F130-A133 HydrophobicContact CB-CB 3.97Å; F130-A133 HydrophobicContact CD1-CB 3.73Å; F130-A133 HydrophobicContact CG-CB 4.32Å; F130-A133 WeakPolarHBondContact O-CB 3.34Å; F130-A133 PolarHBondContact O-N 3.29Å
134T95.1Very high93.1Very high26 Ų2650.3 Ų50.316%0.1628%0.283CS..EExtended strand (participates in β ladder)trans-145.7147175.8-168.70000111I107 I108 I136I107-T134 WeakPolarHBondContact CA-O 3.37Å; I108-T134 HydrophobicContact CB-CG2 4.21Å; I108-T134 HydrophobicContact CD1-CG2 4.22Å; I108-T134 HydrophobicContact CG1-CG2 4.44Å; I108-T134 PolarHBondContact N-O 3.45Å; I108-T134 PolarHBondContact O-N 3.42Å; T134-I136 HydrophobicContact CG2-CG2 4.28Å
135I95.2Very high92.9Very high94 Ų9452.9 Ų52.948%0.48230%0.297SS..EExtended strand (participates in β ladder)trans-89.3132.7170.4-56.1172.1000107.8I39 H106 I107I39-I135 HydrophobicContact CD1-CG1 4.27Å; I39-I135 HydrophobicContact CG1-CD1 4.06Å; I39-I135 HydrophobicContact CG1-CG1 3.99Å; H106-I135 HydrophobicContact CB-CG2 4.25Å; H106-I135 CarbonylContact O-C 3.53Å; H106-I135 VanDerWaalsContact O-CA 3.26Å; H106-I135 WeakPolarHBondContact O-CA 3.29Å; I107-I135 HydrophobicContact CG1-CG1 4.02Å
136I93Very high92.6Very high8 Ų853.9 Ų53.94%0.04131%0.305CS..  trans-123.8125173.652.3153.9000110.2H106 I108 T134 A142 A168 F169H106-I136 WeakPolarHBondContact CB-O 3.35Å; H106-I136 PolarHBondContact O-N 3.37Å; I108-I136 HydrophobicContact CD1-CD1 3.64Å; I108-I136 HydrophobicContact CD1-CG1 3.86Å; I108-I136 HydrophobicContact CD1-CG2 3.87Å; I108-I136 HydrophobicContact CG1-CD1 3.93Å; I108-I136 HydrophobicContact CG1-CG1 3.87Å; T134-I136 HydrophobicContact CG2-CG2 4.28Å; I136-A142 HydrophobicContact CG2-CB 4.33Å; I136-A168 HydrophobicContact CD1-CB 3.74Å; I136-F169 HydrophobicContact CD1-CD1 4.11Å; I136-F169 HydrophobicContact CD1-CD2 4.12Å; I136-F169 HydrophobicContact CD1-CE1 3.57Å; I136-F169 HydrophobicContact CD1-CE2 3.6Å; I136-F169 HydrophobicContact CD1-CG 4.36Å; I136-F169 HydrophobicContact CD1-CZ 3.3Å; I136-F169 HydrophobicContact CG1-CD1 4.42Å; I136-F169 HydrophobicContact CG1-CE1 3.55Å; I136-F169 HydrophobicContact CG1-CE2 4.28Å; I136-F169 HydrophobicContact CG1-CZ 3.47Å; I136-F169 VanDerWaalsContact CG1-CZ 3.47Å
137K87.6Confident92.4Very high142 Ų14254.8 Ų54.862%0.61732%0.317SS*.  trans-72.5164177.8-60.4176-177.7171.30110.7G139 E140K137-G139 PolarHBondContact O-N 3.47Å; K137-E140 HydrophobicContact CB-CG 4.08Å; K137-E140 PolarHBondContact N-OE2 2.98Å; K137-E140 WeakPolarHBondContact O-CB 3.37Å; K137-E140 PolarHBondContact O-N 3.4Å
138D83.2Confident92.3Very high135 Ų13556.9 Ų56.972%0.72233%0.33SS*.THydrogen-bonded Turntrans-52.9124175.9-68.8-34.4000112H106 E140H106-D138 IonicContact CE1-OD1 3.72Å; H106-D138 PolarHBondContact CE1-OD1 2.97Å; H106-D138 IonicContact CE1-OD2 3.13Å; H106-D138 IonicContact ND1-OD1 3.46Å; H106-D138 PolarHBondContact ND1-OD1 2.93Å; D138-E140 PolarHBondContact O-N 2.96Å
139G81.3Confident92.3Very high86 Ų8658 Ų5889%0.88733%0.332SS*.THydrogen-bonded Turntrans80.3-6.6-178.800000115.3K137K137-G139 PolarHBondContact O-N 3.47Å
140E90.8Very high92.5Very high101 Ų10156.5 Ų56.547%0.47232%0.324SS..  trans-81.3153.3170.5-65.2-176167.700111.1K137 D138K137-E140 HydrophobicContact CB-CG 4.08Å; K137-E140 PolarHBondContact N-OE2 2.98Å; K137-E140 WeakPolarHBondContact O-CB 3.37Å; K137-E140 PolarHBondContact O-N 3.4Å; D138-E140 PolarHBondContact O-N 2.96Å
141R93Very high92.6Very high115 Ų11556.6 Ų56.643%0.43433%0.325SS..  trans-132.5139.6176.6-69.9-176170-86.9-6.9110.1T165R141-T165 WeakPolarHBondContact CB-O 3.38Å; R141-T165 WeakPolarHBondContact CD-O 3.21Å
142A93.4Very high93Very high13 Ų1354.2 Ų54.211%0.10731%0.312CS..BIsolated β-bridgetrans-76.6145.8173.700000110.2I108 I136 G166 Y167I108-A142 HydrophobicContact CD1-CB 4.35Å; I136-A142 HydrophobicContact CG2-CB 4.33Å; A142-G166 CarbonylContact O-C 3.48Å; A142-G166 WeakPolarHBondContact O-CA 3.47Å; A142-Y167 HydrophobicContact CB-CD1 4.49Å; A142-Y167 HydrophobicContact CB-CD2 4.05Å; A142-Y167 HydrophobicContact CB-CE1 4.03Å; A142-Y167 HydrophobicContact CB-CE2 3.55Å; A142-Y167 HydrophobicContact CB-CG 4.5Å; A142-Y167 PolarHBondContact N-O 3.22Å; A142-Y167 WeakPolarHBondContact O-CD1 3.38Å; A142-Y167 WeakPolarHBondContact O-CE1 3.27Å; A142-Y167 PolarHBondContact O-N 2.67Å
143T92.6Very high93.2Very high88 Ų8852 Ų5254%0.5430%0.301SS..  trans-126.4-12.9-179.155.50000113.1
144A91.3Very high93.2Very high54 Ų5452.1 Ų52.145%0.44630%0.301SS..SBendtrans-67.5135.1-179.400000111.1A146 Y167A144-A146 PolarHBondContact O-N 3.35Å; A144-Y167 VanDerWaalsContact O-CE1 3.32Å; A144-Y167 WeakPolarHBondContact O-CE1 3.47Å; A144-Y167 PolarHBondContact O-OH 3.35Å
145L93.4Very high93.3Very high63 Ų6351.4 Ų51.433%0.3330%0.296SS..  trans-7592.5170.4-176.871.6000109.2M152 I156 F157 F160 V198L145-M152 HydrophobicContact CD1-CE 3.61Å; L145-M152 HydrophobicContact CG-CE 4.32Å; L145-I156 HydrophobicContact CD1-CG2 4.05Å; L145-F157 HydrophobicContact CD1-CD1 3.85Å; L145-F157 HydrophobicContact CD1-CE1 4.08Å; L145-F160 HydrophobicContact CB-CB 4.26Å; L145-F160 HydrophobicContact CB-CD2 3.57Å; L145-F160 HydrophobicContact CB-CE2 4.07Å; L145-F160 HydrophobicContact CB-CG 3.97Å; L145-F160 HydrophobicContact CD1-CB 4.31Å; L145-F160 HydrophobicContact CD1-CG 4.46Å; L145-F160 HydrophobicContact CD2-CD1 4.08Å; L145-F160 HydrophobicContact CD2-CD2 4.12Å; L145-F160 HydrophobicContact CD2-CE1 4.16Å; L145-F160 HydrophobicContact CD2-CE2 4.19Å; L145-F160 HydrophobicContact CD2-CG 4.06Å; L145-F160 HydrophobicContact CD2-CZ 4.2Å; L145-F160 HydrophobicContact CG-CD2 4.38Å; L145-F160 HydrophobicContact CG-CG 4.4Å; L145-V198 HydrophobicContact CD2-CG2 4.4Å
146A92.3Very high93.3Very high20 Ų2047.1 Ų47.117%0.16527%0.274CS..  trans-133.6138.3-179.600000110.4I132 A144 M152I132-A146 HydrophobicContact CD1-CB 4.38Å; A144-A146 PolarHBondContact O-N 3.35Å; A146-M152 VanDerWaalsContact O-CE 3.26Å; A146-M152 WeakPolarHBondContact O-CE 3.46Å
147G94.8Very high93.4Very high28 Ų2846.7 Ų46.729%0.28927%0.272SS..SBendtrans132170.2-17800000113.2R110 K149 M152R110-G147 VanDerWaalsContact O-CA 3.31Å; R110-G147 WeakPolarHBondContact O-CA 3.4Å; G147-K149 PolarHBondContact O-N 3.3Å; G147-M152 VanDerWaalsContact C-SD 3.54Å; G147-M152 VanDerWaalsContact O-SD 3.39Å
148T95.9Very high93.6Very high44 Ų4443.9 Ų43.927%0.2726%0.261SS..  trans-85.8107.7174.7-55.90000109.8D111 K113 P150 Y151 M152D111-T148 WeakPolarHBondContact OD1-CB 3.48Å; D111-T148 PolarHBondContact OD1-N 3.47Å; D111-T148 PolarHBondContact OD1-OG1 3.32Å; K113-T148 HydrophobicContact CD-CG2 4.34Å; K113-T148 PolarHBondContact NZ-OG1 2.9Å; T148-P150 VanDerWaalsContact C-N 3.32Å; T148-P150 VanDerWaalsContact O-CD 3.31Å; T148-P150 WeakPolarHBondContact O-CD 3.49Å; T148-Y151 HydrophobicContact CG2-CD2 3.91Å; T148-Y151 HydrophobicContact CG2-CE2 4.21Å; T148-Y151 PolarHBondContact O-N 3.13Å; T148-M152 PolarHBondContact O-N 3.29Å
149K96.6Very high93.9Very high54 Ų5437.8 Ų37.824%0.23523%0.229CC..THydrogen-bonded Turntrans-37.7-45.7-169.6-69-171.1-178.1174.90116.5G147 Y151 M152 F157 I192 A194 N196 L201G147-K149 PolarHBondContact O-N 3.3Å; K149-Y151 PolarHBondContact O-N 3.34Å; K149-M152 HydrophobicContact CG-SD 4.24Å; K149-M152 PolarHBondContact O-N 3.01Å; K149-F157 HydrophobicContact CB-CZ 4.37Å; K149-F157 HydrophobicContact CG-CE1 4.32Å; K149-F157 HydrophobicContact CG-CZ 4.45Å; K149-I192 HydrophobicContact CB-CG2 4.04Å; K149-A194 WeakPolarHBondContact CE-O 3.32Å; K149-A194 PolarHBondContact NZ-O 3.13Å; K149-N196 PolarHBondContact NZ-O 3.07Å; K149-L201 HydrophobicContact CD-CD1 4.25Å
150P97.6Very high94.2Very high11 Ų1139.2 Ų39.27%0.07121%0.211CC..THydrogen-bonded Turntrans-64.5-19.1-179.5-21.134.1000115.8T148 R188 I192T148-P150 VanDerWaalsContact C-N 3.32Å; T148-P150 VanDerWaalsContact O-CD 3.31Å; T148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-R188 VanDerWaalsContact CB-NH1 3.29Å; P150-I192 HydrophobicContact CB-CB 4.14Å; P150-I192 HydrophobicContact CB-CG2 4.23Å; P150-I192 HydrophobicContact CG-CB 4.34Å; P150-I192 HydrophobicContact CG-CG2 4.07Å; P150-I192 WeakPolarHBondContact CG-O 3.43Å
151Y98.5Very high93.9Very high5 Ų537.4 Ų37.42%0.0221%0.207CC..THydrogen-bonded Turntrans-104.5-13.7178.5-57.5-86.9000112.5R74 K113 T148 K149 W174 S175 V178 E182R74-Y151 PolarHBondContact NH2-OH 2.68Å; K113-Y151 HydrophobicContact CB-CD1 3.85Å; K113-Y151 HydrophobicContact CB-CD2 3.79Å; K113-Y151 HydrophobicContact CB-CE1 3.89Å; K113-Y151 HydrophobicContact CB-CE2 3.81Å; K113-Y151 HydrophobicContact CB-CG 3.83Å; K113-Y151 HydrophobicContact CD-CD2 4.38Å; K113-Y151 HydrophobicContact CD-CE2 4.4Å; T148-Y151 HydrophobicContact CG2-CD2 3.91Å; T148-Y151 HydrophobicContact CG2-CE2 4.21Å; T148-Y151 PolarHBondContact O-N 3.13Å; K149-Y151 PolarHBondContact O-N 3.34Å; Y151-W174 VanDerWaalsContact O-CD1 3.22Å; Y151-S175 PolarHBondContact O-OG 2.63Å; Y151-V178 HydrophobicContact CD1-CB 4.05Å; Y151-V178 HydrophobicContact CD1-CG1 3.46Å; Y151-V178 VanDerWaalsContact CD1-CG1 3.46Å; Y151-V178 HydrophobicContact CE1-CG1 3.77Å; Y151-V178 HydrophobicContact CG-CG1 4.3Å; Y151-E182 VanDerWaalsContact CE1-OE2 3.31Å; Y151-E182 WeakPolarHBondContact CE1-OE2 3.4Å; Y151-E182 VanDerWaalsContact CZ-OE2 3.31Å; Y151-E182 PolarHBondContact OH-OE1 2.93Å; Y151-E182 PolarHBondContact OH-OE2 3.05Å
152M98.4Very high93Very high5 Ų536.6 Ų36.63%0.02522%0.219CC..  trans-66.8138.3-176.8-69.217675.800111.8L145 A146 G147 T148 K149 I156 F157 W174L145-M152 HydrophobicContact CD1-CE 3.61Å; L145-M152 HydrophobicContact CG-CE 4.32Å; A146-M152 VanDerWaalsContact O-CE 3.26Å; A146-M152 WeakPolarHBondContact O-CE 3.46Å; G147-M152 VanDerWaalsContact C-SD 3.54Å; G147-M152 VanDerWaalsContact O-SD 3.39Å; T148-M152 PolarHBondContact O-N 3.29Å; K149-M152 HydrophobicContact CG-SD 4.24Å; K149-M152 PolarHBondContact O-N 3.01Å; M152-I156 HydrophobicContact CB-CD1 4.05Å; M152-I156 HydrophobicContact CE-CB 3.93Å; M152-I156 HydrophobicContact CE-CD1 3.97Å; M152-I156 HydrophobicContact CE-CG2 3.29Å; M152-I156 HydrophobicContact CG-CD1 4.27Å; M152-F157 HydrophobicContact CB-CE2 3.7Å; M152-F157 HydrophobicContact CB-CZ 3.61Å; M152-F157 HydrophobicContact CE-CE1 4.33Å; M152-F157 HydrophobicContact CE-CZ 4.45Å; M152-F157 HydrophobicContact CG-CZ 4.39Å; M152-F157 HydrophobicContact SD-CE1 4.18Å; M152-F157 HydrophobicContact SD-CZ 4.02Å; M152-W174 PolarHBondContact O-NE1 2.95Å
153A97.8Very high91.8Very high0 Ų039.3 Ų39.30%025%0.248CC..  trans-70.1150.2176.300000112.1E155 I156 V171 W174A153-E155 VanDerWaalsContact C-N 3.26Å; A153-E155 VanDerWaalsContact CB-CD 3.48Å; A153-E155 HydrophobicContact CB-CG 4.44Å; A153-E155 WeakPolarHBondContact CB-OE1 3.12Å; A153-E155 WeakPolarHBondContact CB-OE2 3.35Å; A153-E155 PolarHBondContact O-N 3.41Å; A153-I156 HydrophobicContact CB-CD1 4.47Å; A153-I156 HydrophobicContact CB-CG1 4.46Å; A153-I156 PolarHBondContact O-N 3.12Å; A153-I156 VanDerWaalsContact O-N 3.12Å; A153-V171 HydrophobicContact CB-CB 3.98Å; A153-V171 HydrophobicContact CB-CG1 3.93Å; A153-W174 VanDerWaalsContact CA-CD1 3.47Å; A153-W174 HydrophobicContact CB-CB 3.79Å; A153-W174 HydrophobicContact CB-CD2 4.24Å; A153-W174 HydrophobicContact CB-CG 3.67Å
154P96.5Very high90.5Very high2 Ų236.6 Ų36.61%0.01324%0.237CC..Hα-helixtrans-55.7-37.6-176.8-26.835.9000114I156 F157 Q158 W174 F205 V230P154-I156 VanDerWaalsContact C-N 3.26Å; P154-I156 PolarHBondContact O-N 3.4Å; P154-F157 WeakPolarHBondContact O-CB 3.35Å; P154-F157 PolarHBondContact O-N 3.41Å; P154-Q158 WeakPolarHBondContact O-CG 3.34Å; P154-Q158 PolarHBondContact O-N 3.41Å; P154-W174 HydrophobicContact CG-CE3 4.49Å; P154-W174 HydrophobicContact CG-CH2 3.69Å; P154-W174 HydrophobicContact CG-CZ2 3.91Å; P154-W174 HydrophobicContact CG-CZ3 4Å; P154-F205 HydrophobicContact CB-CB 4.23Å; P154-F205 HydrophobicContact CB-CD2 3.77Å; P154-F205 HydrophobicContact CB-CE2 4.29Å; P154-F205 HydrophobicContact CB-CG 4Å; P154-F205 HydrophobicContact CG-CB 4.14Å; P154-F205 HydrophobicContact CG-CD1 3.91Å; P154-F205 HydrophobicContact CG-CD2 3.82Å; P154-F205 HydrophobicContact CG-CE1 4.25Å; P154-F205 HydrophobicContact CG-CE2 4.16Å; P154-F205 HydrophobicContact CG-CG 3.69Å; P154-F205 HydrophobicContact CG-CZ 4.36Å; P154-V230 HydrophobicContact CB-CG1 4.08Å; P154-V230 HydrophobicContact CG-CG1 4.06Å; P154-V230 HydrophobicContact CG-CG2 4.43Å
155E96Very high90Very high12 Ų1240.2 Ų40.26%0.05625%0.254CS..Hα-helixtrans-66.2-23-178.463.7-89-155.700113.8A153 F157 Q158 S159 V171 P232 R235A153-E155 VanDerWaalsContact C-N 3.26Å; A153-E155 VanDerWaalsContact CB-CD 3.48Å; A153-E155 HydrophobicContact CB-CG 4.44Å; A153-E155 WeakPolarHBondContact CB-OE1 3.12Å; A153-E155 WeakPolarHBondContact CB-OE2 3.35Å; A153-E155 PolarHBondContact O-N 3.41Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-Q158 PolarHBondContact O-N 2.62Å; E155-S159 WeakPolarHBondContact O-CB 3.31Å; E155-S159 PolarHBondContact O-N 3.08Å; E155-V171 HydrophobicContact CG-CG1 4.14Å; E155-V171 WeakPolarHBondContact OE1-CG1 3.31Å; E155-P232 HydrophobicContact CB-CG 4.47Å; E155-P232 HydrophobicContact CG-CG 4.36Å; E155-R235 IonicContact OE1-CZ 3.15Å; E155-R235 IonicContact OE1-NH1 3.29Å; E155-R235 PolarHBondContact OE1-NH1 3.33Å; E155-R235 IonicContact OE1-NH2 3.72Å; E155-R235 PolarHBondContact OE1-NH2 2.97Å; E155-R235 IonicContact OE2-CZ 3.23Å; E155-R235 IonicContact OE2-NH1 2.72Å; E155-R235 IonicContact OE2-NH2 2.7Å; E155-R235 PolarHBondContact OE2-NH2 2.72Å
156I96.2Very high89.9Confident3 Ų337.5 Ų37.52%0.01524%0.241CC..Hα-helixtrans-66.1-42.3175.2-54.8174.7000109.8L145 M152 A153 P154 F160 Y167 V171L145-I156 HydrophobicContact CD1-CG2 4.05Å; M152-I156 HydrophobicContact CB-CD1 4.05Å; M152-I156 HydrophobicContact CE-CB 3.93Å; M152-I156 HydrophobicContact CE-CD1 3.97Å; M152-I156 HydrophobicContact CE-CG2 3.29Å; M152-I156 HydrophobicContact CG-CD1 4.27Å; A153-I156 HydrophobicContact CB-CD1 4.47Å; A153-I156 HydrophobicContact CB-CG1 4.46Å; A153-I156 PolarHBondContact O-N 3.12Å; A153-I156 VanDerWaalsContact O-N 3.12Å; P154-I156 VanDerWaalsContact C-N 3.26Å; P154-I156 PolarHBondContact O-N 3.4Å; I156-F160 PolarHBondContact O-N 2.98Å; I156-Y167 HydrophobicContact CB-CD1 4.2Å; I156-Y167 HydrophobicContact CB-CE1 4.31Å; I156-Y167 HydrophobicContact CG1-CD1 3.9Å; I156-Y167 HydrophobicContact CG1-CD2 4.2Å; I156-Y167 HydrophobicContact CG1-CE1 4.15Å; I156-Y167 HydrophobicContact CG1-CE2 4.42Å; I156-Y167 HydrophobicContact CG1-CG 3.93Å; I156-Y167 HydrophobicContact CG2-CD1 4.09Å; I156-Y167 HydrophobicContact CG2-CE1 3.71Å; I156-V171 HydrophobicContact CD1-CB 4.04Å; I156-V171 HydrophobicContact CD1-CG1 3.99Å; I156-V171 HydrophobicContact CD1-CG2 4.5Å; I156-V171 HydrophobicContact CG1-CB 4.4Å; I156-V171 HydrophobicContact CG1-CG1 3.78Å
157F94.9Very high90Very high0 Ų036.6 Ų36.60%023%0.233CC..Hα-helixtrans-68.5-41.6177.3-61.9-63.5000111.9L145 K149 M152 P154 E155 F160 V161 V198 L201 I202 F205L145-F157 HydrophobicContact CD1-CD1 3.85Å; L145-F157 HydrophobicContact CD1-CE1 4.08Å; K149-F157 HydrophobicContact CB-CZ 4.37Å; K149-F157 HydrophobicContact CG-CE1 4.32Å; K149-F157 HydrophobicContact CG-CZ 4.45Å; M152-F157 HydrophobicContact CB-CE2 3.7Å; M152-F157 HydrophobicContact CB-CZ 3.61Å; M152-F157 HydrophobicContact CE-CE1 4.33Å; M152-F157 HydrophobicContact CE-CZ 4.45Å; M152-F157 HydrophobicContact CG-CZ 4.39Å; M152-F157 HydrophobicContact SD-CE1 4.18Å; M152-F157 HydrophobicContact SD-CZ 4.02Å; P154-F157 WeakPolarHBondContact O-CB 3.35Å; P154-F157 PolarHBondContact O-N 3.41Å; E155-F157 VanDerWaalsContact C-N 3.34Å; F157-F160 PolarHBondContact O-N 3.05Å; F157-V161 PolarHBondContact O-N 2.89Å; F157-V198 HydrophobicContact CB-CG1 3.65Å; F157-V198 HydrophobicContact CD1-CG1 3.85Å; F157-V198 HydrophobicContact CD1-CG2 4.44Å; F157-V198 HydrophobicContact CG-CG1 4.17Å; F157-L201 HydrophobicContact CD1-CD1 4.08Å; F157-L201 HydrophobicContact CE1-CD1 3.53Å; F157-L201 HydrophobicContact CE2-CD1 4.18Å; F157-L201 HydrophobicContact CZ-CD1 3.58Å; F157-I202 HydrophobicContact CB-CD1 4.41Å; F157-I202 HydrophobicContact CB-CG1 4Å; F157-F205 AromaticContact CD2-CE2 3.79Å; F157-F205 HydrophobicContact CD2-CE2 3.79Å; F157-F205 AromaticContact CE2-CE2 3.77Å; F157-F205 HydrophobicContact CE2-CE2 3.77Å; F157-F205 HydrophobicContact CE2-CZ 4.3Å
158Q91.3Very high90.1Very high83 Ų8335.5 Ų35.539%0.38822%0.222SC..Hα-helixtrans-64.4-41.7177.4-66.8171.6-2.200111.9P154 E155 F160 V161 S162 I202P154-Q158 WeakPolarHBondContact O-CG 3.34Å; P154-Q158 PolarHBondContact O-N 3.41Å; E155-Q158 PolarHBondContact O-N 2.62Å; Q158-F160 VanDerWaalsContact C-N 3.31Å; Q158-F160 PolarHBondContact O-N 3.37Å; Q158-V161 PolarHBondContact O-N 2.89Å; Q158-S162 PolarHBondContact O-N 3.26Å; Q158-S162 VanDerWaalsContact O-N 3.09Å; Q158-I202 HydrophobicContact CG-CD1 4.43Å; Q158-I202 HydrophobicContact CG-CG1 4.32Å
159S89.3Confident90.2Very high7 Ų735 Ų355%0.04922%0.216CC..Hα-helixtrans-59.5-42.6175.5177.80000111.7E155 G163 G164 G166E155-S159 WeakPolarHBondContact O-CB 3.31Å; E155-S159 PolarHBondContact O-N 3.08Å; S159-G163 WeakPolarHBondContact O-CA 3.49Å; S159-G163 PolarHBondContact O-N 2.91Å; S159-G164 PolarHBondContact O-N 3.24Å; S159-G166 WeakPolarHBondContact OG-CA 3.35Å
160F87.8Confident90.2Very high115 Ų11534 Ų3450%0.50421%0.212SC..Hα-helixtrans-65.3-44.1-179.6-179.5-102.4000113.5L145 I156 F157 Q158 V198L145-F160 HydrophobicContact CB-CB 4.26Å; L145-F160 HydrophobicContact CB-CD2 3.57Å; L145-F160 HydrophobicContact CB-CE2 4.07Å; L145-F160 HydrophobicContact CB-CG 3.97Å; L145-F160 HydrophobicContact CD1-CB 4.31Å; L145-F160 HydrophobicContact CD1-CG 4.46Å; L145-F160 HydrophobicContact CD2-CD1 4.08Å; L145-F160 HydrophobicContact CD2-CD2 4.12Å; L145-F160 HydrophobicContact CD2-CE1 4.16Å; L145-F160 HydrophobicContact CD2-CE2 4.19Å; L145-F160 HydrophobicContact CD2-CG 4.06Å; L145-F160 HydrophobicContact CD2-CZ 4.2Å; L145-F160 HydrophobicContact CG-CD2 4.38Å; L145-F160 HydrophobicContact CG-CG 4.4Å; I156-F160 PolarHBondContact O-N 2.98Å; F157-F160 PolarHBondContact O-N 3.05Å; Q158-F160 VanDerWaalsContact C-N 3.31Å; Q158-F160 PolarHBondContact O-N 3.37Å; F160-V198 HydrophobicContact CD1-CG1 4.44Å; F160-V198 HydrophobicContact CD1-CG2 4.12Å; F160-V198 HydrophobicContact CE1-CG2 4.3Å
161V83.9Confident90.3Very high64 Ų6433.6 Ų33.639%0.38821%0.209SC..Hα-helixtrans-79.9-43.9-174.2175.50000112.6F157 Q158 V198 I202F157-V161 PolarHBondContact O-N 2.89Å; Q158-V161 PolarHBondContact O-N 2.89Å; V161-V198 HydrophobicContact CG2-CB 3.94Å; V161-V198 HydrophobicContact CG2-CG1 3.35Å; V161-I202 HydrophobicContact CB-CD1 4.32Å; V161-I202 HydrophobicContact CG2-CD1 4.03Å
162S74.9Confident90.3Very high98 Ų9833.6 Ų33.669%0.68521%0.21SC*.Hα-helixtrans-101.76.6-169-58.10000113.7Q158 G164Q158-S162 PolarHBondContact O-N 3.26Å; Q158-S162 VanDerWaalsContact O-N 3.09Å; S162-G164 PolarHBondContact O-N 3.23Å
163G68.5Low90.3Very high69 Ų6933.4 Ų33.471%0.71121%0.209SC*.THydrogen-bonded Turntrans55.736-167.600000111S159S159-G163 WeakPolarHBondContact O-CA 3.49Å; S159-G163 PolarHBondContact O-N 2.91Å
164G65.8Low90.3Very high31 Ų3133.5 Ų33.532%0.3221%0.209SC..  trans-60.3178-172.200000112.8S159 S162 G166S159-G164 PolarHBondContact O-N 3.24Å; S162-G164 PolarHBondContact O-N 3.23Å; G164-G166 PolarHBondContact O-N 3.11Å
165T79.6Confident90.5Very high130 Ų13033.6 Ų33.680%0.79821%0.21SC*.SBendtrans-60.2-7.5-174.948.80000114.7R141R141-T165 WeakPolarHBondContact CB-O 3.38Å; R141-T165 WeakPolarHBondContact CD-O 3.21Å
166G91.6Very high90.6Very high6 Ų633.2 Ų33.26%0.06221%0.208CC..  trans85.6178.2-175.200000112A142 S159 G164A142-G166 CarbonylContact O-C 3.48Å; A142-G166 WeakPolarHBondContact O-CA 3.47Å; S159-G166 WeakPolarHBondContact OG-CA 3.35Å; G164-G166 PolarHBondContact O-N 3.11Å
167Y95.1Very high90.7Very high1 Ų133 Ų330%0.00421%0.207CC..BIsolated β-bridgetrans-125.2159.7179.562.3-91.9000110.7I108 R110 A142 A144 I156 V171I108-Y167 HydrophobicContact CD1-CD2 4.45Å; I108-Y167 HydrophobicContact CD1-CE2 4.44Å; R110-Y167 WeakPolarHBondContact CD-OH 3.38Å; R110-Y167 HydrophobicContact CG-CE2 4.36Å; R110-Y167 PolarHBondContact NH1-OH 3Å; R110-Y167 VanDerWaalsContact NH1-OH 3.16Å; A142-Y167 HydrophobicContact CB-CD1 4.49Å; A142-Y167 HydrophobicContact CB-CD2 4.05Å; A142-Y167 HydrophobicContact CB-CE1 4.03Å; A142-Y167 HydrophobicContact CB-CE2 3.55Å; A142-Y167 HydrophobicContact CB-CG 4.5Å; A142-Y167 PolarHBondContact N-O 3.22Å; A142-Y167 WeakPolarHBondContact O-CD1 3.38Å; A142-Y167 WeakPolarHBondContact O-CE1 3.27Å; A142-Y167 PolarHBondContact O-N 2.67Å; A144-Y167 VanDerWaalsContact O-CE1 3.32Å; A144-Y167 WeakPolarHBondContact O-CE1 3.47Å; A144-Y167 PolarHBondContact O-OH 3.35Å; I156-Y167 HydrophobicContact CB-CD1 4.2Å; I156-Y167 HydrophobicContact CB-CE1 4.31Å; I156-Y167 HydrophobicContact CG1-CD1 3.9Å; I156-Y167 HydrophobicContact CG1-CD2 4.2Å; I156-Y167 HydrophobicContact CG1-CE1 4.15Å; I156-Y167 HydrophobicContact CG1-CE2 4.42Å; I156-Y167 HydrophobicContact CG1-CG 3.93Å; I156-Y167 HydrophobicContact CG2-CD1 4.09Å; I156-Y167 HydrophobicContact CG2-CE1 3.71Å; Y167-V171 HydrophobicContact CD2-CB 4.46Å; Y167-V171 HydrophobicContact CD2-CG1 3.61Å; Y167-V171 HydrophobicContact CD2-CG2 4.05Å; Y167-V171 HydrophobicContact CE2-CG2 4.41Å; Y167-V171 HydrophobicContact CG-CG1 3.89Å
168A95.8Very high90.9Very high6 Ų633.1 Ų33.15%0.0521%0.208CC..  trans-132.9-147.2177.900000109.4I136 E170 V171I136-A168 HydrophobicContact CD1-CB 3.74Å; A168-E170 WeakPolarHBondContact CA-OE2 3.45Å; A168-E170 WeakPolarHBondContact CB-OE2 3.43Å; A168-E170 PolarHBondContact N-OE2 3.28Å; A168-E170 PolarHBondContact O-N 3.04Å; A168-E170 VanDerWaalsContact O-N 3.16Å; A168-V171 WeakPolarHBondContact O-CG2 3.47Å
169F97.3Very high91.3Very high33 Ų3329.3 Ų29.315%0.14519%0.19CC..THydrogen-bonded Turntrans-61.5-23.2-171.3-48.4-72.5000114.1Q103 I108 I136 V171 D172 W173Q103-F169 HydrophobicContact CB-CB 4.44Å; Q103-F169 HydrophobicContact CB-CD1 4.16Å; Q103-F169 HydrophobicContact CB-CG 4.23Å; Q103-F169 HydrophobicContact CG-CB 4.02Å; Q103-F169 HydrophobicContact CG-CD1 4.01Å; Q103-F169 HydrophobicContact CG-CD2 3.85Å; Q103-F169 HydrophobicContact CG-CE1 4.45Å; Q103-F169 HydrophobicContact CG-CE2 4.31Å; Q103-F169 HydrophobicContact CG-CG 3.68Å; I108-F169 HydrophobicContact CG1-CD1 3.83Å; I108-F169 HydrophobicContact CG1-CE1 4.1Å; I136-F169 HydrophobicContact CD1-CD1 4.11Å; I136-F169 HydrophobicContact CD1-CD2 4.12Å; I136-F169 HydrophobicContact CD1-CE1 3.57Å; I136-F169 HydrophobicContact CD1-CE2 3.6Å; I136-F169 HydrophobicContact CD1-CG 4.36Å; I136-F169 HydrophobicContact CD1-CZ 3.3Å; I136-F169 HydrophobicContact CG1-CD1 4.42Å; I136-F169 HydrophobicContact CG1-CE1 3.55Å; I136-F169 HydrophobicContact CG1-CE2 4.28Å; I136-F169 HydrophobicContact CG1-CZ 3.47Å; I136-F169 VanDerWaalsContact CG1-CZ 3.47Å; F169-V171 PolarHBondContact O-N 3.47Å; F169-D172 PolarHBondContact O-N 3.25Å; F169-W173 VanDerWaalsContact O-CD1 3.29Å
170E97.8Very high91.7Very high34 Ų3429.2 Ų29.216%0.15919%0.19CC..Hα-helixtrans-62-18.2-174.8-49.188.2162.600113.4A168 W174 P232 R235A168-E170 WeakPolarHBondContact CA-OE2 3.45Å; A168-E170 WeakPolarHBondContact CB-OE2 3.43Å; A168-E170 PolarHBondContact N-OE2 3.28Å; A168-E170 PolarHBondContact O-N 3.04Å; A168-E170 VanDerWaalsContact O-N 3.16Å; E170-W174 PolarHBondContact O-N 3.2Å; E170-P232 HydrophobicContact CB-CB 3.91Å; E170-P232 HydrophobicContact CG-CB 4.13Å; E170-R235 PolarHBondContact O-NH1 3.35Å
171V98.5Very high92.2Very high1 Ų123.9 Ų23.91%0.00617%0.167CC..Hα-helixtrans-70.8-32.3179.7-56.10000113.2I108 A153 E155 I156 Y167 A168 F169 W173 W174 S175I108-V171 HydrophobicContact CG2-CG2 3.56Å; A153-V171 HydrophobicContact CB-CB 3.98Å; A153-V171 HydrophobicContact CB-CG1 3.93Å; E155-V171 HydrophobicContact CG-CG1 4.14Å; E155-V171 WeakPolarHBondContact OE1-CG1 3.31Å; I156-V171 HydrophobicContact CD1-CB 4.04Å; I156-V171 HydrophobicContact CD1-CG1 3.99Å; I156-V171 HydrophobicContact CD1-CG2 4.5Å; I156-V171 HydrophobicContact CG1-CB 4.4Å; I156-V171 HydrophobicContact CG1-CG1 3.78Å; Y167-V171 HydrophobicContact CD2-CB 4.46Å; Y167-V171 HydrophobicContact CD2-CG1 3.61Å; Y167-V171 HydrophobicContact CD2-CG2 4.05Å; Y167-V171 HydrophobicContact CE2-CG2 4.41Å; Y167-V171 HydrophobicContact CG-CG1 3.89Å; A168-V171 WeakPolarHBondContact O-CG2 3.47Å; F169-V171 PolarHBondContact O-N 3.47Å; V171-W173 VanDerWaalsContact C-N 3.35Å; V171-W174 PolarHBondContact O-N 3.22Å; V171-S175 PolarHBondContact O-N 3.09Å; V171-S175 VanDerWaalsContact O-N 3.09Å; V171-S175 PolarHBondContact O-OG 3.18Å
172D98.8Very high92.9Very high5 Ų521.1 Ų21.13%0.02715%0.149CC..Hα-helixtrans-72.8-34.2179.5-72.2-25.5000110.6L99 I108 H109 R110 V112 F169 S175 L176L99-D172 HydrophobicContact CD1-CB 4.1Å; L99-D172 HydrophobicContact CD2-CB 3.86Å; I108-D172 WeakPolarHBondContact CG2-OD2 3.24Å; H109-D172 PolarHBondContact N-OD2 2.75Å; R110-D172 WeakPolarHBondContact CA-OD1 3.41Å; R110-D172 PolarHBondContact N-OD1 3.37Å; V112-D172 HydrophobicContact CG2-CB 4.17Å; F169-D172 PolarHBondContact O-N 3.25Å; D172-S175 WeakPolarHBondContact O-CB 3.14Å; D172-S175 PolarHBondContact O-N 3.4Å; D172-L176 PolarHBondContact O-N 3.19Å
173W98.9Very high94Very high2 Ų216.8 Ų16.81%0.00812%0.119CC..Hα-helixtrans-67.9-37.5174.7-61.993.3000112.9T96 L99 D100 F169 V171 S175 L176 G177 L227 F236 S237 S238 M242T96-W173 HydrophobicContact CG2-CH2 3.83Å; T96-W173 HydrophobicContact CG2-CZ3 3.87Å; L99-W173 HydrophobicContact CB-CH2 4.34Å; L99-W173 HydrophobicContact CB-CZ2 4.01Å; L99-W173 HydrophobicContact CD1-CD2 4.31Å; L99-W173 HydrophobicContact CD1-CE3 4.47Å; D100-W173 HydrophobicContact CB-CH2 4.46Å; D100-W173 HydrophobicContact CB-CZ2 4.41Å; F169-W173 VanDerWaalsContact O-CD1 3.29Å; V171-W173 VanDerWaalsContact C-N 3.35Å; W173-S175 VanDerWaalsContact C-N 3.34Å; W173-L176 HydrophobicContact CE3-CD2 4.48Å; W173-L176 PolarHBondContact O-N 3Å; W173-G177 PolarHBondContact O-N 3.48Å; W173-L227 HydrophobicContact CB-CD2 4.28Å; W173-L227 HydrophobicContact CE3-CD2 4.24Å; W173-F236 VanDerWaalsContact CB-O 3.27Å; W173-F236 WeakPolarHBondContact CB-O 3.43Å; W173-S237 VanDerWaalsContact NE1-C 3.34Å; W173-S237 PolarHBondContact NE1-O 3.42Å; W173-S237 VanDerWaalsContact NE1-O 3.14Å; W173-S238 VanDerWaalsContact CH2-C 3.45Å; W173-M242 HydrophobicContact CE3-CG 4.36Å; W173-M242 HydrophobicContact CH2-CG 4.36Å; W173-M242 HydrophobicContact CZ3-CG 3.61Å; W173-M242 HydrophobicContact CZ3-SD 4.28Å
174W98.9Very high95.3Very high1 Ų114.9 Ų14.90%0.0049%0.092CC..Hα-helixtrans-59.7-48168.8171.5-82.4000111Y151 M152 A153 P154 E170 V171 L176 G177 V178 Y190 F205 L228 V230Y151-W174 VanDerWaalsContact O-CD1 3.22Å; M152-W174 PolarHBondContact O-NE1 2.95Å; A153-W174 VanDerWaalsContact CA-CD1 3.47Å; A153-W174 HydrophobicContact CB-CB 3.79Å; A153-W174 HydrophobicContact CB-CD2 4.24Å; A153-W174 HydrophobicContact CB-CG 3.67Å; P154-W174 HydrophobicContact CG-CE3 4.49Å; P154-W174 HydrophobicContact CG-CH2 3.69Å; P154-W174 HydrophobicContact CG-CZ2 3.91Å; P154-W174 HydrophobicContact CG-CZ3 4Å; E170-W174 PolarHBondContact O-N 3.2Å; V171-W174 PolarHBondContact O-N 3.22Å; W174-L176 VanDerWaalsContact C-N 3.29Å; W174-L176 PolarHBondContact O-N 3.05Å; W174-G177 WeakPolarHBondContact O-CA 3.44Å; W174-G177 PolarHBondContact O-N 3.25Å; W174-V178 PolarHBondContact O-N 3.18Å; W174-Y190 AromaticContact CH2-CE2 3.86Å; W174-Y190 HydrophobicContact CH2-CE2 3.86Å; W174-Y190 HydrophobicContact CZ2-CD2 4.33Å; W174-Y190 AromaticContact CZ2-CE2 3.66Å; W174-Y190 HydrophobicContact CZ2-CE2 3.66Å; W174-F205 HydrophobicContact CH2-CD1 4.21Å; W174-F205 HydrophobicContact CH2-CE1 4.24Å; W174-F205 HydrophobicContact CZ2-CD1 4.09Å; W174-F205 AromaticContact CZ2-CE1 3.65Å; W174-F205 HydrophobicContact CZ2-CE1 3.65Å; W174-F205 HydrophobicContact CZ2-CZ 4.35Å; W174-L228 HydrophobicContact CD2-CD2 4.21Å; W174-L228 HydrophobicContact CE3-CD2 4.37Å; W174-L228 HydrophobicContact CZ2-CD2 4.41Å; W174-L228 VanDerWaalsContact CZ3-C 3.43Å; W174-L228 HydrophobicContact CZ3-CB 4.36Å; W174-L228 WeakPolarHBondContact CZ3-O 3.43Å; W174-V230 HydrophobicContact CH2-CG2 4.27Å; W174-V230 HydrophobicContact CZ3-CG2 4.27Å
175S98.9Very high96.6Very high4 Ų417.7 Ų17.73%0.0289%0.093CC..Hα-helixtrans-61.7-37.5-179.3-55.20000111.7V112 Y151 V171 D172 W173 V178 T179V112-S175 WeakPolarHBondContact O-CB 3.27Å; Y151-S175 PolarHBondContact O-OG 2.63Å; V171-S175 PolarHBondContact O-N 3.09Å; V171-S175 VanDerWaalsContact O-N 3.09Å; V171-S175 PolarHBondContact O-OG 3.18Å; D172-S175 WeakPolarHBondContact O-CB 3.14Å; D172-S175 PolarHBondContact O-N 3.4Å; W173-S175 VanDerWaalsContact C-N 3.34Å; S175-V178 PolarHBondContact O-N 3.02Å; S175-T179 WeakPolarHBondContact O-CB 3.33Å; S175-T179 PolarHBondContact O-N 2.88Å; S175-T179 PolarHBondContact O-OG1 2.85Å
176L98.9Very high97.3Very high4 Ų414 Ų142%0.0218%0.08CC..Hα-helixtrans-61.7-42.8170178.558.9000111.9L92 M95 L99 V112 D172 W173 W174 T179 A180L92-L176 HydrophobicContact CD2-CD1 4.09Å; L92-L176 HydrophobicContact CD2-CD2 4.23Å; L92-L176 HydrophobicContact CD2-CG 3.93Å; M95-L176 HydrophobicContact CB-CD1 3.59Å; M95-L176 HydrophobicContact CB-CD2 4.07Å; M95-L176 HydrophobicContact CB-CG 4.48Å; M95-L176 HydrophobicContact CG-CD1 4.03Å; L99-L176 HydrophobicContact CD1-CB 4.14Å; L99-L176 HydrophobicContact CD1-CD2 4.01Å; V112-L176 HydrophobicContact CG1-CB 4.5Å; D172-L176 PolarHBondContact O-N 3.19Å; W173-L176 HydrophobicContact CE3-CD2 4.48Å; W173-L176 PolarHBondContact O-N 3Å; W174-L176 VanDerWaalsContact C-N 3.29Å; W174-L176 PolarHBondContact O-N 3.05Å; L176-T179 PolarHBondContact O-N 3.34Å; L176-A180 WeakPolarHBondContact O-CB 3.38Å; L176-A180 PolarHBondContact O-N 3.01Å
177G98.8Very high97.5Very high0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-60.4-43.8174.300000113.2W173 W174 F181W173-G177 PolarHBondContact O-N 3.48Å; W174-G177 WeakPolarHBondContact O-CA 3.44Å; W174-G177 PolarHBondContact O-N 3.25Å; G177-F181 WeakPolarHBondContact O-CB 3.49Å; G177-F181 PolarHBondContact O-N 3.29Å
178V98.8Very high97.6Very high1 Ų123.9 Ų23.91%0.00612%0.116CC..Hα-helixtrans-62.7-45.2175.6175.50000110.3Y151 W174 S175 F181 E182 P189 L228Y151-V178 HydrophobicContact CD1-CB 4.05Å; Y151-V178 HydrophobicContact CD1-CG1 3.46Å; Y151-V178 VanDerWaalsContact CD1-CG1 3.46Å; Y151-V178 HydrophobicContact CE1-CG1 3.77Å; Y151-V178 HydrophobicContact CG-CG1 4.3Å; W174-V178 PolarHBondContact O-N 3.18Å; S175-V178 PolarHBondContact O-N 3.02Å; V178-F181 PolarHBondContact O-N 3.13Å; V178-E182 WeakPolarHBondContact O-CB 3.43Å; V178-E182 PolarHBondContact O-N 3.14Å; V178-P189 HydrophobicContact CB-CG 4.49Å; V178-P189 HydrophobicContact CG1-CG 4.22Å; V178-P189 HydrophobicContact CG2-CG 4.25Å; V178-L228 HydrophobicContact CG2-CD2 3.66Å
179T98.8Very high97.7Very high4 Ų424.4 Ų24.43%0.02512%0.119CC..Hα-helixtrans-62.5-50.3179.9-62.20000111.6K113 P114 I117 S175 L176 F181 E182 V183K113-T179 WeakPolarHBondContact CA-OG1 3.29Å; P114-T179 HydrophobicContact CG-CG2 4.06Å; I117-T179 HydrophobicContact CD1-CG2 3.82Å; S175-T179 WeakPolarHBondContact O-CB 3.33Å; S175-T179 PolarHBondContact O-N 2.88Å; S175-T179 PolarHBondContact O-OG1 2.85Å; L176-T179 PolarHBondContact O-N 3.34Å; T179-F181 VanDerWaalsContact C-N 3.32Å; T179-F181 PolarHBondContact O-N 3.47Å; T179-E182 PolarHBondContact O-N 2.96Å; T179-V183 HydrophobicContact CG2-CG2 4.43Å; T179-V183 VanDerWaalsContact O-CG2 3.29Å; T179-V183 WeakPolarHBondContact O-CG2 3.33Å; T179-V183 PolarHBondContact O-N 3.47Å
180A98.6Very high97.7Very high5 Ų523.5 Ų23.54%0.04112%0.115CC..Hα-helixtrans-62.2-39.9178.500000112V88 L92 L176 V183 L184 L224V88-A180 HydrophobicContact CG1-CB 4.15Å; L92-A180 HydrophobicContact CD1-CB 4.23Å; L92-A180 HydrophobicContact CD2-CB 3.63Å; L92-A180 HydrophobicContact CG-CB 3.95Å; L176-A180 WeakPolarHBondContact O-CB 3.38Å; L176-A180 PolarHBondContact O-N 3.01Å; A180-V183 PolarHBondContact O-N 2.92Å; A180-L184 WeakPolarHBondContact O-CB 3.43Å; A180-L184 WeakPolarHBondContact O-CD1 3.12Å; A180-L184 WeakPolarHBondContact O-CG 3.46Å; A180-L184 PolarHBondContact O-N 3.19Å; A180-L224 HydrophobicContact CB-CD2 4.07Å
181F98.6Very high97.5Very high3 Ų327.6 Ų27.61%0.01314%0.138CC..Hα-helixtrans-59.9-47.7173.9-175.3-74.4000111.3G177 V178 T179 V183 L184 R185 W187 P189 V210 Q211 Y212 W216 L224G177-F181 WeakPolarHBondContact O-CB 3.49Å; G177-F181 PolarHBondContact O-N 3.29Å; V178-F181 PolarHBondContact O-N 3.13Å; T179-F181 VanDerWaalsContact C-N 3.32Å; T179-F181 PolarHBondContact O-N 3.47Å; F181-V183 PolarHBondContact O-N 3.37Å; F181-L184 PolarHBondContact O-N 3.37Å; F181-R185 HydrophobicContact CD1-CB 4.16Å; F181-R185 HydrophobicContact CE1-CB 3.92Å; F181-R185 HydrophobicContact CE1-CG 4Å; F181-R185 HydrophobicContact CZ-CG 4.44Å; F181-R185 WeakPolarHBondContact O-CB 3.25Å; F181-R185 PolarHBondContact O-N 3.04Å; F181-W187 WeakPolarHBondContact CD1-O 3.4Å; F181-W187 WeakPolarHBondContact CE1-O 3.39Å; F181-P189 HydrophobicContact CB-CG 4.38Å; F181-P189 HydrophobicContact CD1-CB 3.85Å; F181-P189 HydrophobicContact CD1-CG 4.15Å; F181-P189 HydrophobicContact CD2-CB 4.1Å; F181-P189 HydrophobicContact CE1-CB 3.95Å; F181-P189 HydrophobicContact CE2-CB 4.18Å; F181-P189 HydrophobicContact CG-CB 3.94Å; F181-P189 HydrophobicContact CG-CG 4.17Å; F181-P189 HydrophobicContact CZ-CB 4.11Å; F181-V210 HydrophobicContact CD2-CG1 4.08Å; F181-V210 HydrophobicContact CE2-CG1 3.54Å; F181-V210 HydrophobicContact CZ-CG1 4.16Å; F181-Q211 WeakPolarHBondContact CZ-O 3.19Å; F181-Y212 HydrophobicContact CD2-CD1 4.42Å; F181-Y212 HydrophobicContact CD2-CE1 4.28Å; F181-Y212 HydrophobicContact CE2-CD1 4.13Å; F181-Y212 HydrophobicContact CE2-CE1 4.29Å; F181-W216 AromaticContact CD2-CH2 3.89Å; F181-W216 HydrophobicContact CD2-CH2 3.89Å; F181-W216 AromaticContact CD2-CZ3 3.84Å; F181-W216 HydrophobicContact CD2-CZ3 3.84Å; F181-W216 HydrophobicContact CE1-CH2 4.5Å; F181-W216 AromaticContact CE2-CH2 3.77Å; F181-W216 HydrophobicContact CE2-CH2 3.77Å; F181-W216 AromaticContact CE2-CZ3 3.69Å; F181-W216 HydrophobicContact CE2-CZ3 3.69Å; F181-W216 HydrophobicContact CG-CH2 4.31Å; F181-W216 HydrophobicContact CZ-CH2 4.09Å; F181-W216 HydrophobicContact CZ-CZ3 4.39Å; F181-L224 HydrophobicContact CD2-CD1 4.47Å
182E98.1Very high97.4Very high6 Ų627.6 Ų27.63%0.02814%0.138CC..Hα-helixtrans-63.1-41.6179.7-176-179.7-168.600111.8R74 L77 P114 Y151 V178 T179 L184 R185 G186 W187 R188R74-E182 IonicContact CZ-OE1 2.66Å; R74-E182 VanDerWaalsContact CZ-OE1 3.3Å; R74-E182 IonicContact NH1-OE1 3.63Å; R74-E182 PolarHBondContact NH1-OE1 3.01Å; R74-E182 IonicContact NH2-OE1 3.39Å; R74-E182 PolarHBondContact NH2-OE1 2.87Å; R74-E182 IonicContact NH2-OE2 2.74Å; R74-E182 PolarHBondContact NH2-OE2 2.62Å; L77-E182 HydrophobicContact CD1-CG 4.17Å; P114-E182 WeakPolarHBondContact CG-OE2 3.31Å; Y151-E182 VanDerWaalsContact CE1-OE2 3.31Å; Y151-E182 WeakPolarHBondContact CE1-OE2 3.4Å; Y151-E182 VanDerWaalsContact CZ-OE2 3.31Å; Y151-E182 PolarHBondContact OH-OE1 2.93Å; Y151-E182 PolarHBondContact OH-OE2 3.05Å; V178-E182 WeakPolarHBondContact O-CB 3.43Å; V178-E182 PolarHBondContact O-N 3.14Å; T179-E182 PolarHBondContact O-N 2.96Å; E182-L184 VanDerWaalsContact C-N 3.35Å; E182-L184 PolarHBondContact O-N 3.33Å; E182-R185 PolarHBondContact O-N 3.33Å; E182-G186 VanDerWaalsContact O-CA 3.28Å; E182-G186 WeakPolarHBondContact O-CA 3.48Å; E182-G186 PolarHBondContact O-N 2.97Å; E182-W187 WeakPolarHBondContact CA-O 3.46Å; E182-R188 HydrophobicContact CB-CG 4.19Å; E182-R188 HydrophobicContact CG-CG 4Å
183V97.4Very high97.1Very high7 Ų731.8 Ų31.84%0.04216%0.157CC..Hα-helixtrans-65.4-38.6178.9177.30000111.6L73 L77 F83 V88 T179 A180 F181L73-V183 HydrophobicContact CD1-CG2 4.3Å; L77-V183 HydrophobicContact CD1-CG2 4.2Å; F83-V183 HydrophobicContact CB-CG1 3.91Å; F83-V183 HydrophobicContact CD2-CG1 3.47Å; F83-V183 VanDerWaalsContact CD2-CG1 3.47Å; F83-V183 HydrophobicContact CE2-CG1 4.08Å; F83-V183 HydrophobicContact CG-CG1 3.72Å; V88-V183 HydrophobicContact CG2-CB 4.38Å; V88-V183 HydrophobicContact CG2-CG1 3.64Å; T179-V183 HydrophobicContact CG2-CG2 4.43Å; T179-V183 VanDerWaalsContact O-CG2 3.29Å; T179-V183 WeakPolarHBondContact O-CG2 3.33Å; T179-V183 PolarHBondContact O-N 3.47Å; A180-V183 PolarHBondContact O-N 2.92Å; F181-V183 PolarHBondContact O-N 3.37Å
184L96.1Very high96.5Very high28 Ų2835.7 Ų35.715%0.14719%0.189CC..Hα-helixtrans-71-35.2176.1-74.1162.3000113.2E85 V88 A180 F181 E182 W216 L220 L224E85-L184 HydrophobicContact CG-CD2 4.31Å; V88-L184 HydrophobicContact CB-CD2 3.86Å; V88-L184 HydrophobicContact CB-CG 4.1Å; V88-L184 HydrophobicContact CG1-CD1 4.13Å; V88-L184 HydrophobicContact CG1-CD2 4.16Å; V88-L184 HydrophobicContact CG1-CG 3.86Å; V88-L184 HydrophobicContact CG2-CD2 3.71Å; V88-L184 HydrophobicContact CG2-CG 3.95Å; A180-L184 WeakPolarHBondContact O-CB 3.43Å; A180-L184 WeakPolarHBondContact O-CD1 3.12Å; A180-L184 WeakPolarHBondContact O-CG 3.46Å; A180-L184 PolarHBondContact O-N 3.19Å; F181-L184 PolarHBondContact O-N 3.37Å; E182-L184 VanDerWaalsContact C-N 3.35Å; E182-L184 PolarHBondContact O-N 3.33Å; L184-W216 HydrophobicContact CB-CH2 4.17Å; L184-W216 HydrophobicContact CB-CZ2 3.6Å; L184-L220 HydrophobicContact CD1-CD1 4.22Å; L184-L220 HydrophobicContact CD1-CD2 3.85Å; L184-L220 HydrophobicContact CD1-CG 4.41Å; L184-L220 HydrophobicContact CD2-CD2 4.39Å; L184-L224 HydrophobicContact CD1-CD1 4.14Å
185R94.6Very high96.2Very high90 Ų9040.9 Ų40.934%0.3423%0.226SC..Hα-helixtrans-101.8-27.1-167.9-165.764.9-174.5-173.60.2113.7F181 E182 W187 S213 W216F181-R185 HydrophobicContact CD1-CB 4.16Å; F181-R185 HydrophobicContact CE1-CB 3.92Å; F181-R185 HydrophobicContact CE1-CG 4Å; F181-R185 HydrophobicContact CZ-CG 4.44Å; F181-R185 WeakPolarHBondContact O-CB 3.25Å; F181-R185 PolarHBondContact O-N 3.04Å; E182-R185 PolarHBondContact O-N 3.33Å; R185-W187 VanDerWaalsContact C-N 3.3Å; R185-W187 HydrophobicContact CG-CD2 3.68Å; R185-W187 VanDerWaalsContact CG-CE2 3.46Å; R185-W187 HydrophobicContact CG-CE3 4.08Å; R185-W187 HydrophobicContact CG-CG 4.19Å; R185-W187 HydrophobicContact CG-CH2 4.16Å; R185-W187 HydrophobicContact CG-CZ2 3.77Å; R185-W187 HydrophobicContact CG-CZ3 4.29Å; R185-W187 VanDerWaalsContact NE-CH2 3.28Å; R185-W187 WeakPolarHBondContact O-CZ3 3.47Å; R185-S213 PolarHBondContact NH1-OG 2.99Å; R185-W216 HydrophobicContact CB-CH2 4.01Å; R185-W216 HydrophobicContact CB-CZ2 3.9Å; R185-W216 HydrophobicContact CG-CH2 4.44Å; R185-W216 HydrophobicContact CG-CZ2 4.37Å
186G94.3Very high95.9Very high52 Ų5242.9 Ų42.954%0.53624%0.236SC..SBendtrans84.7-4.1-168.300000114.3E182E182-G186 VanDerWaalsContact O-CA 3.28Å; E182-G186 WeakPolarHBondContact O-CA 3.48Å; E182-G186 PolarHBondContact O-N 2.97Å
187W94.6Very high95.7Very high150 Ų15045.4 Ų45.457%0.56825%0.254SS*.SBendtrans-149.3157.9174.363.385.5000111.6F181 E182 R185F181-W187 WeakPolarHBondContact CD1-O 3.4Å; F181-W187 WeakPolarHBondContact CE1-O 3.39Å; E182-W187 WeakPolarHBondContact CA-O 3.46Å; R185-W187 VanDerWaalsContact C-N 3.3Å; R185-W187 HydrophobicContact CG-CD2 3.68Å; R185-W187 VanDerWaalsContact CG-CE2 3.46Å; R185-W187 HydrophobicContact CG-CE3 4.08Å; R185-W187 HydrophobicContact CG-CG 4.19Å; R185-W187 HydrophobicContact CG-CH2 4.16Å; R185-W187 HydrophobicContact CG-CZ2 3.77Å; R185-W187 HydrophobicContact CG-CZ3 4.29Å; R185-W187 VanDerWaalsContact NE-CH2 3.28Å; R185-W187 WeakPolarHBondContact O-CZ3 3.47Å
188R97.1Very high95.4Very high66 Ų6646.1 Ų46.125%0.24926%0.258CS..  trans-72.5154.2-174.5-65.1169.7-58.9-163.68.6112.5P150 E182 Y190 I192P150-R188 VanDerWaalsContact CB-NH1 3.29Å; E182-R188 HydrophobicContact CB-CG 4.19Å; E182-R188 HydrophobicContact CG-CG 4Å; R188-Y190 VanDerWaalsContact C-N 3.26Å; R188-Y190 PolarHBondContact O-N 3.29Å; R188-I192 PolarHBondContact NH2-O 3.42Å; R188-I192 VanDerWaalsContact NH2-O 3.08Å
189P97.5Very high95.1Very high16 Ų1651.5 Ų51.510%0.10428%0.283CS..SBendtrans-68.2-23.4-179.826.3-33.9000114V178 F181 V210 L228V178-P189 HydrophobicContact CB-CG 4.49Å; V178-P189 HydrophobicContact CG1-CG 4.22Å; V178-P189 HydrophobicContact CG2-CG 4.25Å; F181-P189 HydrophobicContact CB-CG 4.38Å; F181-P189 HydrophobicContact CD1-CB 3.85Å; F181-P189 HydrophobicContact CD1-CG 4.15Å; F181-P189 HydrophobicContact CD2-CB 4.1Å; F181-P189 HydrophobicContact CE1-CB 3.95Å; F181-P189 HydrophobicContact CE2-CB 4.18Å; F181-P189 HydrophobicContact CG-CB 3.94Å; F181-P189 HydrophobicContact CG-CG 4.17Å; F181-P189 HydrophobicContact CZ-CB 4.11Å; P189-V210 HydrophobicContact CB-CG1 3.68Å; P189-V210 HydrophobicContact CB-CG2 4.09Å; P189-L228 HydrophobicContact CB-CD1 4.32Å; P189-L228 HydrophobicContact CG-CD1 4.23Å
190Y97.3Very high94.9Very high14 Ų1453.4 Ų53.46%0.05530%0.297CS..SBendtrans-124.7140.1178-61.3-81.7000110.3W174 R188 I192 L204 F205 V210W174-Y190 AromaticContact CH2-CE2 3.86Å; W174-Y190 HydrophobicContact CH2-CE2 3.86Å; W174-Y190 HydrophobicContact CZ2-CD2 4.33Å; W174-Y190 AromaticContact CZ2-CE2 3.66Å; W174-Y190 HydrophobicContact CZ2-CE2 3.66Å; R188-Y190 VanDerWaalsContact C-N 3.26Å; R188-Y190 PolarHBondContact O-N 3.29Å; Y190-I192 HydrophobicContact CG-CD1 4.48Å; Y190-I192 PolarHBondContact O-N 3.4Å; Y190-I192 VanDerWaalsContact O-N 3.12Å; Y190-L204 HydrophobicContact CD1-CD2 4.26Å; Y190-L204 HydrophobicContact CD1-CG 4.37Å; Y190-F205 HydrophobicContact CD1-CD1 4.19Å; Y190-F205 HydrophobicContact CD1-CE1 4.19Å; Y190-F205 HydrophobicContact CD2-CD1 4.4Å; Y190-F205 AromaticContact CD2-CE1 3.82Å; Y190-F205 HydrophobicContact CD2-CE1 3.82Å; Y190-F205 AromaticContact CE1-CD1 3.89Å; Y190-F205 HydrophobicContact CE1-CD1 3.89Å; Y190-F205 HydrophobicContact CE1-CE1 4.24Å; Y190-F205 HydrophobicContact CE2-CD1 4.13Å; Y190-F205 AromaticContact CE2-CE1 3.89Å; Y190-F205 HydrophobicContact CE2-CE1 3.89Å; Y190-F205 HydrophobicContact CG-CD1 4.43Å; Y190-F205 AromaticContact CG-CE1 3.98Å; Y190-F205 HydrophobicContact CG-CE1 3.98Å; Y190-F205 AromaticContact CZ-CD1 3.85Å; Y190-V210 HydrophobicContact CE1-CG2 4.16Å; Y190-V210 HydrophobicContact CE2-CG2 3.78Å; Y190-V210 VanDerWaalsContact CZ-CG2 3.48Å; Y190-V210 VanDerWaalsContact OH-CG2 3.31Å; Y190-V210 WeakPolarHBondContact OH-CG2 3.34Å
191D94.4Very high94.8Very high121 Ų12153.2 Ų53.265%0.64730%0.296SS*.  trans-83.885.9175.2-167.220.5000110.1H193D191-H193 IonicContact OD1-CD2 3.95Å; D191-H193 IonicContact OD1-CE1 3.93Å; D191-H193 IonicContact OD1-NE2 3.29Å; D191-H193 PolarHBondContact OD1-NE2 3.23Å
192I95.7Very high94.5Very high1 Ų155 Ų551%0.00531%0.305CS..  trans-120.1134.9-177.1-61.8174.6000109.4K149 P150 R188 Y190 L201 L204 F205K149-I192 HydrophobicContact CB-CG2 4.04Å; P150-I192 HydrophobicContact CB-CB 4.14Å; P150-I192 HydrophobicContact CB-CG2 4.23Å; P150-I192 HydrophobicContact CG-CB 4.34Å; P150-I192 HydrophobicContact CG-CG2 4.07Å; P150-I192 WeakPolarHBondContact CG-O 3.43Å; R188-I192 PolarHBondContact NH2-O 3.42Å; R188-I192 VanDerWaalsContact NH2-O 3.08Å; Y190-I192 HydrophobicContact CG-CD1 4.48Å; Y190-I192 PolarHBondContact O-N 3.4Å; Y190-I192 VanDerWaalsContact O-N 3.12Å; I192-L201 HydrophobicContact CB-CD2 4.25Å; I192-L201 HydrophobicContact CD1-CD2 4.02Å; I192-L201 HydrophobicContact CG1-CD2 3.74Å; I192-L201 HydrophobicContact CG2-CD1 4.42Å; I192-L201 HydrophobicContact CG2-CD2 3.7Å; I192-L204 HydrophobicContact CD1-CD2 3.97Å; I192-L204 HydrophobicContact CG1-CD2 3.61Å; I192-F205 HydrophobicContact CD1-CE1 3.99Å; I192-F205 HydrophobicContact CD1-CE2 4.39Å; I192-F205 HydrophobicContact CD1-CZ 3.55Å
193H92.2Very high94.3Very high93 Ų9360.9 Ų60.943%0.43133%0.332SS..  trans-125159.2175.5-61.6-74.4000111.3D191 S195 N196D191-H193 IonicContact OD1-CD2 3.95Å; D191-H193 IonicContact OD1-CE1 3.93Å; D191-H193 IonicContact OD1-NE2 3.29Å; D191-H193 PolarHBondContact OD1-NE2 3.23Å; H193-S195 PolarHBondContact O-N 3.5Å; H193-S195 VanDerWaalsContact O-N 3.14Å; H193-N196 WeakPolarHBondContact CA-OD1 3.41Å; H193-N196 WeakPolarHBondContact CB-OD1 3.36Å; H193-N196 PolarHBondContact N-OD1 3.01Å; H193-N196 PolarHBondContact O-N 2.98Å; H193-N196 VanDerWaalsContact O-N 3.14Å; H193-N196 PolarHBondContact O-OD1 3.38Å
194A87.6Confident94.2Very high83 Ų8362.4 Ų62.469%0.68634%0.34SS*.THydrogen-bonded Turntrans-58.4-28.2178.400000113.1K149K149-A194 WeakPolarHBondContact CE-O 3.32Å; K149-A194 PolarHBondContact NZ-O 3.13Å
195S91.4Very high94.2Very high110 Ų11061.7 Ų61.777%0.76934%0.335SS*.THydrogen-bonded Turntrans-79.6-14.3-179.453.20000114.6H193H193-S195 PolarHBondContact O-N 3.5Å; H193-S195 VanDerWaalsContact O-N 3.14Å
196N93.6Very high94.1Very high47 Ų4761.6 Ų61.625%0.25135%0.349SS..SBendtrans-64.3138.3179.6-67.4113.6000111.3K149 H193 L201K149-N196 PolarHBondContact NZ-O 3.07Å; H193-N196 WeakPolarHBondContact CA-OD1 3.41Å; H193-N196 WeakPolarHBondContact CB-OD1 3.36Å; H193-N196 PolarHBondContact N-OD1 3.01Å; H193-N196 PolarHBondContact O-N 2.98Å; H193-N196 VanDerWaalsContact O-N 3.14Å; H193-N196 PolarHBondContact O-OD1 3.38Å; N196-L201 HydrophobicContact CB-CD1 4.41Å; N196-L201 HydrophobicContact CB-CD2 3.76Å; N196-L201 HydrophobicContact CB-CG 4.06Å
197S94.6Very high94.1Very high57 Ų5763.8 Ų63.840%0.39935%0.352SS..  trans-73.7154.6174.8910000110.5E199 S200 L201S197-E199 VanDerWaalsContact C-N 3.27Å; S197-E199 VanDerWaalsContact CB-OE2 3.28Å; S197-E199 WeakPolarHBondContact CB-OE2 3.27Å; S197-E199 PolarHBondContact O-N 3.22Å; S197-E199 PolarHBondContact OG-OE2 2.74Å; S197-S200 PolarHBondContact N-OG 2.97Å; S197-S200 PolarHBondContact O-N 3.34Å; S197-S200 PolarHBondContact O-OG 3.42Å; S197-S200 PolarHBondContact OG-N 3.31Å; S197-L201 WeakPolarHBondContact O-CG 3.42Å; S197-L201 PolarHBondContact O-N 3.36Å
198V92.6Very high94.1Very high14 Ų1459.7 Ų59.79%0.08534%0.343CS..Hα-helixtrans-62.8-37.7-176.9-175.80000111.4L145 F157 F160 V161 S200 L201 I202L145-V198 HydrophobicContact CD2-CG2 4.4Å; F157-V198 HydrophobicContact CB-CG1 3.65Å; F157-V198 HydrophobicContact CD1-CG1 3.85Å; F157-V198 HydrophobicContact CD1-CG2 4.44Å; F157-V198 HydrophobicContact CG-CG1 4.17Å; F160-V198 HydrophobicContact CD1-CG1 4.44Å; F160-V198 HydrophobicContact CD1-CG2 4.12Å; F160-V198 HydrophobicContact CE1-CG2 4.3Å; V161-V198 HydrophobicContact CG2-CB 3.94Å; V161-V198 HydrophobicContact CG2-CG1 3.35Å; V198-S200 PolarHBondContact O-N 2.72Å; V198-L201 PolarHBondContact O-N 3.04Å; V198-I202 HydrophobicContact CG1-CD1 4.15Å; V198-I202 WeakPolarHBondContact O-CG1 3.31Å; V198-I202 PolarHBondContact O-N 3.43Å
199E92.7Very high93.9Very high114 Ų11460.5 Ų60.553%0.53336%0.359SS..Hα-helixtrans-63-42.3178.3-55.271.4-153.900111.3S197 L201 I202 Q203S197-E199 VanDerWaalsContact C-N 3.27Å; S197-E199 VanDerWaalsContact CB-OE2 3.28Å; S197-E199 WeakPolarHBondContact CB-OE2 3.27Å; S197-E199 PolarHBondContact O-N 3.22Å; S197-E199 PolarHBondContact OG-OE2 2.74Å; E199-L201 VanDerWaalsContact C-N 3.28Å; E199-L201 PolarHBondContact O-N 3.47Å; E199-I202 PolarHBondContact O-N 3.14Å; E199-Q203 PolarHBondContact O-N 2.9Å
200S94.9Very high93.9Very high44 Ų4460.6 Ų60.631%0.30836%0.359SS..Hα-helixtrans-63.7-34.9177.372.80000112.2S197 V198 Q203 L204S197-S200 PolarHBondContact N-OG 2.97Å; S197-S200 PolarHBondContact O-N 3.34Å; S197-S200 PolarHBondContact O-OG 3.42Å; S197-S200 PolarHBondContact OG-N 3.31Å; V198-S200 PolarHBondContact O-N 2.72Å; S200-Q203 PolarHBondContact O-N 3.22Å; S200-L204 WeakPolarHBondContact O-CB 3.42Å; S200-L204 PolarHBondContact O-N 3.4Å
201L95Very high93.9Very high2 Ų266.6 Ų66.61%0.0139%0.388CS..Hα-helixtrans-71.9-41.7177.8-62.5177.2000111.8K149 F157 I192 N196 S197 V198 E199 Q203 L204 F205K149-L201 HydrophobicContact CD-CD1 4.25Å; F157-L201 HydrophobicContact CD1-CD1 4.08Å; F157-L201 HydrophobicContact CE1-CD1 3.53Å; F157-L201 HydrophobicContact CE2-CD1 4.18Å; F157-L201 HydrophobicContact CZ-CD1 3.58Å; I192-L201 HydrophobicContact CB-CD2 4.25Å; I192-L201 HydrophobicContact CD1-CD2 4.02Å; I192-L201 HydrophobicContact CG1-CD2 3.74Å; I192-L201 HydrophobicContact CG2-CD1 4.42Å; I192-L201 HydrophobicContact CG2-CD2 3.7Å; N196-L201 HydrophobicContact CB-CD1 4.41Å; N196-L201 HydrophobicContact CB-CD2 3.76Å; N196-L201 HydrophobicContact CB-CG 4.06Å; S197-L201 WeakPolarHBondContact O-CG 3.42Å; S197-L201 PolarHBondContact O-N 3.36Å; V198-L201 PolarHBondContact O-N 3.04Å; E199-L201 VanDerWaalsContact C-N 3.28Å; E199-L201 PolarHBondContact O-N 3.47Å; L201-Q203 VanDerWaalsContact C-N 3.29Å; L201-Q203 PolarHBondContact O-N 2.91Å; L201-L204 HydrophobicContact CD2-CD2 4.41Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 3.49Å; L201-F205 HydrophobicContact CB-CE2 4.32Å; L201-F205 WeakPolarHBondContact O-CD2 3.37Å; L201-F205 PolarHBondContact O-N 3.4Å
202I92.4Very high94Very high40 Ų4062.8 Ų62.821%0.20537%0.365CS..Hα-helixtrans-59.9-43.1174.4-67.1168.1000110.4F157 Q158 V161 V198 E199 S206F157-I202 HydrophobicContact CB-CD1 4.41Å; F157-I202 HydrophobicContact CB-CG1 4Å; Q158-I202 HydrophobicContact CG-CD1 4.43Å; Q158-I202 HydrophobicContact CG-CG1 4.32Å; V161-I202 HydrophobicContact CB-CD1 4.32Å; V161-I202 HydrophobicContact CG2-CD1 4.03Å; V198-I202 HydrophobicContact CG1-CD1 4.15Å; V198-I202 WeakPolarHBondContact O-CG1 3.31Å; V198-I202 PolarHBondContact O-N 3.43Å; E199-I202 PolarHBondContact O-N 3.14Å; I202-S206 PolarHBondContact O-N 3.31Å; I202-S206 PolarHBondContact O-OG 3.24Å
203Q94.1Very high93.9Very high130 Ų13063.5 Ų63.561%0.60737%0.37SS*.Hα-helixtrans-64.6-42.1175.6-175.2178.2-3.500111.6E199 S200 L201 S206 T207E199-Q203 PolarHBondContact O-N 2.9Å; S200-Q203 PolarHBondContact O-N 3.22Å; L201-Q203 VanDerWaalsContact C-N 3.29Å; L201-Q203 PolarHBondContact O-N 2.91Å; Q203-S206 PolarHBondContact O-N 2.91Å; Q203-S206 VanDerWaalsContact O-N 3.16Å; Q203-T207 HydrophobicContact CG-CG2 4.25Å; Q203-T207 WeakPolarHBondContact O-CB 3.36Å; Q203-T207 WeakPolarHBondContact O-CG2 3.46Å; Q203-T207 PolarHBondContact O-N 3.11Å; Q203-T207 VanDerWaalsContact O-N 3.09Å; Q203-T207 PolarHBondContact O-OG1 3.28Å
204L96.1Very high94Very high39 Ų3965.6 Ų65.620%0.20439%0.391CS..Hα-helixtrans-56.4-52.8177.9-177.376.7000111.3Y190 I192 S200 L201 S206 T207 V208Y190-L204 HydrophobicContact CD1-CD2 4.26Å; Y190-L204 HydrophobicContact CD1-CG 4.37Å; I192-L204 HydrophobicContact CD1-CD2 3.97Å; I192-L204 HydrophobicContact CG1-CD2 3.61Å; S200-L204 WeakPolarHBondContact O-CB 3.42Å; S200-L204 PolarHBondContact O-N 3.4Å; L201-L204 HydrophobicContact CD2-CD2 4.41Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 3.49Å; L204-S206 PolarHBondContact O-N 2.81Å; L204-T207 PolarHBondContact O-N 2.85Å; L204-T207 VanDerWaalsContact O-N 3.14Å; L204-T207 PolarHBondContact O-OG1 3.18Å; L204-V208 HydrophobicContact CD1-CB 4.09Å; L204-V208 HydrophobicContact CD1-CG2 3.54Å; L204-V208 HydrophobicContact CG-CB 4.49Å; L204-V208 HydrophobicContact CG-CG2 4.37Å; L204-V208 WeakPolarHBondContact O-CB 3.42Å; L204-V208 PolarHBondContact O-N 2.94Å
205F95.3Very high94.4Very high12 Ų1265.6 Ų65.65%0.05339%0.392CS..Hα-helixtrans-63.3-23.6179.5-65.9-56.2000113.6P154 F157 W174 Y190 I192 L201P154-F205 HydrophobicContact CB-CB 4.23Å; P154-F205 HydrophobicContact CB-CD2 3.77Å; P154-F205 HydrophobicContact CB-CE2 4.29Å; P154-F205 HydrophobicContact CB-CG 4Å; P154-F205 HydrophobicContact CG-CB 4.14Å; P154-F205 HydrophobicContact CG-CD1 3.91Å; P154-F205 HydrophobicContact CG-CD2 3.82Å; P154-F205 HydrophobicContact CG-CE1 4.25Å; P154-F205 HydrophobicContact CG-CE2 4.16Å; P154-F205 HydrophobicContact CG-CG 3.69Å; P154-F205 HydrophobicContact CG-CZ 4.36Å; F157-F205 AromaticContact CD2-CE2 3.79Å; F157-F205 HydrophobicContact CD2-CE2 3.79Å; F157-F205 AromaticContact CE2-CE2 3.77Å; F157-F205 HydrophobicContact CE2-CE2 3.77Å; F157-F205 HydrophobicContact CE2-CZ 4.3Å; W174-F205 HydrophobicContact CH2-CD1 4.21Å; W174-F205 HydrophobicContact CH2-CE1 4.24Å; W174-F205 HydrophobicContact CZ2-CD1 4.09Å; W174-F205 AromaticContact CZ2-CE1 3.65Å; W174-F205 HydrophobicContact CZ2-CE1 3.65Å; W174-F205 HydrophobicContact CZ2-CZ 4.35Å; Y190-F205 HydrophobicContact CD1-CD1 4.19Å; Y190-F205 HydrophobicContact CD1-CE1 4.19Å; Y190-F205 HydrophobicContact CD2-CD1 4.4Å; Y190-F205 AromaticContact CD2-CE1 3.82Å; Y190-F205 HydrophobicContact CD2-CE1 3.82Å; Y190-F205 AromaticContact CE1-CD1 3.89Å; Y190-F205 HydrophobicContact CE1-CD1 3.89Å; Y190-F205 HydrophobicContact CE1-CE1 4.24Å; Y190-F205 HydrophobicContact CE2-CD1 4.13Å; Y190-F205 AromaticContact CE2-CE1 3.89Å; Y190-F205 HydrophobicContact CE2-CE1 3.89Å; Y190-F205 HydrophobicContact CG-CD1 4.43Å; Y190-F205 AromaticContact CG-CE1 3.98Å; Y190-F205 HydrophobicContact CG-CE1 3.98Å; Y190-F205 AromaticContact CZ-CD1 3.85Å; I192-F205 HydrophobicContact CD1-CE1 3.99Å; I192-F205 HydrophobicContact CD1-CE2 4.39Å; I192-F205 HydrophobicContact CD1-CZ 3.55Å; L201-F205 HydrophobicContact CB-CE2 4.32Å; L201-F205 WeakPolarHBondContact O-CD2 3.37Å; L201-F205 PolarHBondContact O-N 3.4Å
206S92.7Very high94.6Very high89 Ų8961.6 Ų61.662%0.62236%0.36SS*.Hα-helixtrans-86.5-18.2178.7-52.30000113.6I202 Q203 L204I202-S206 PolarHBondContact O-N 3.31Å; I202-S206 PolarHBondContact O-OG 3.24Å; Q203-S206 PolarHBondContact O-N 2.91Å; Q203-S206 VanDerWaalsContact O-N 3.16Å; L204-S206 PolarHBondContact O-N 2.81Å
207T93.6Very high94.7Very high97 Ų9761.4 Ų61.460%0.59536%0.361SS*.Hα-helixtrans-121-28.2-169.555.80000113.9Q203 L204Q203-T207 HydrophobicContact CG-CG2 4.25Å; Q203-T207 WeakPolarHBondContact O-CB 3.36Å; Q203-T207 WeakPolarHBondContact O-CG2 3.46Å; Q203-T207 PolarHBondContact O-N 3.11Å; Q203-T207 VanDerWaalsContact O-N 3.09Å; Q203-T207 PolarHBondContact O-OG1 3.28Å; L204-T207 PolarHBondContact O-N 2.85Å; L204-T207 VanDerWaalsContact O-N 3.14Å; L204-T207 PolarHBondContact O-OG1 3.18Å
208V94.4Very high94.9Very high65 Ų6567.6 Ų67.639%0.39438%0.381SS..PPolyproline II helixtrans-100.1127.2-176.7178.60000110.5L204L204-V208 HydrophobicContact CD1-CB 4.09Å; L204-V208 HydrophobicContact CD1-CG2 3.54Å; L204-V208 HydrophobicContact CG-CB 4.49Å; L204-V208 HydrophobicContact CG-CG2 4.37Å; L204-V208 WeakPolarHBondContact O-CB 3.42Å; L204-V208 PolarHBondContact O-N 2.94Å
209S94.2Very high95.1Very high83 Ų8370.7 Ų70.758%0.5840%0.397SS*.PPolyproline II helixtrans-94.5138172.358.40000111Q211S209-Q211 PolarHBondContact O-N 3.31Å; S209-Q211 PolarHBondContact O-NE2 2.99Å; S209-Q211 PolarHBondContact OG-NE2 3.03Å
210V96.6Very high95.4Very high18 Ų1865.3 Ų65.311%0.10937%0.372CS..PPolyproline II helixtrans-61.9130.4176.5179.80000110.2F181 P189 Y190 Y212 L228F181-V210 HydrophobicContact CD2-CG1 4.08Å; F181-V210 HydrophobicContact CE2-CG1 3.54Å; F181-V210 HydrophobicContact CZ-CG1 4.16Å; P189-V210 HydrophobicContact CB-CG1 3.68Å; P189-V210 HydrophobicContact CB-CG2 4.09Å; Y190-V210 HydrophobicContact CE1-CG2 4.16Å; Y190-V210 HydrophobicContact CE2-CG2 3.78Å; Y190-V210 VanDerWaalsContact CZ-CG2 3.48Å; Y190-V210 VanDerWaalsContact OH-CG2 3.31Å; Y190-V210 WeakPolarHBondContact OH-CG2 3.34Å; V210-Y212 HydrophobicContact CB-CD2 4.41Å; V210-Y212 HydrophobicContact CB-CE2 3.66Å; V210-Y212 HydrophobicContact CG1-CD1 4.4Å; V210-Y212 HydrophobicContact CG1-CD2 4.18Å; V210-Y212 HydrophobicContact CG1-CE1 3.91Å; V210-Y212 HydrophobicContact CG1-CE2 3.68Å; V210-Y212 WeakPolarHBondContact O-CD2 3.5Å; V210-Y212 WeakPolarHBondContact O-CE2 3.28Å; V210-L228 HydrophobicContact CG1-CD1 4.36Å; V210-L228 HydrophobicContact CG2-CD1 4.35Å
211Q96.9Very high95.6Very high139 Ų13963.8 Ų63.865%0.6536%0.36SS*.  trans-93105.7178.8-60.4-57.1-51.800110.3F181 S209F181-Q211 WeakPolarHBondContact CZ-O 3.19Å; S209-Q211 PolarHBondContact O-N 3.31Å; S209-Q211 PolarHBondContact O-NE2 2.99Å; S209-Q211 PolarHBondContact OG-NE2 3.03Å
212Y96.7Very high95.7Very high42 Ų4265.7 Ų65.717%0.16538%0.377CS..  trans-88.9144179.4-62.3-87.1000111.4F181 V210 P214 W216 V221 L224 R225F181-Y212 HydrophobicContact CD2-CD1 4.42Å; F181-Y212 HydrophobicContact CD2-CE1 4.28Å; F181-Y212 HydrophobicContact CE2-CD1 4.13Å; F181-Y212 HydrophobicContact CE2-CE1 4.29Å; V210-Y212 HydrophobicContact CB-CD2 4.41Å; V210-Y212 HydrophobicContact CB-CE2 3.66Å; V210-Y212 HydrophobicContact CG1-CD1 4.4Å; V210-Y212 HydrophobicContact CG1-CD2 4.18Å; V210-Y212 HydrophobicContact CG1-CE1 3.91Å; V210-Y212 HydrophobicContact CG1-CE2 3.68Å; V210-Y212 WeakPolarHBondContact O-CD2 3.5Å; V210-Y212 WeakPolarHBondContact O-CE2 3.28Å; Y212-P214 WeakPolarHBondContact O-CD 3.49Å; Y212-W216 HydrophobicContact CD1-CE3 4.29Å; Y212-W216 HydrophobicContact CD1-CZ3 4.01Å; Y212-V221 HydrophobicContact CD1-CG1 3.87Å; Y212-V221 HydrophobicContact CD1-CG2 4.38Å; Y212-V221 HydrophobicContact CD2-CG1 4.18Å; Y212-V221 HydrophobicContact CE1-CG1 4.47Å; Y212-V221 HydrophobicContact CG-CG1 3.71Å; Y212-L224 HydrophobicContact CD1-CD1 4.46Å; Y212-L224 HydrophobicContact CE1-CB 3.72Å; Y212-L224 HydrophobicContact CE1-CD1 4.32Å; Y212-R225 HydrophobicContact CE1-CG 4.39Å; Y212-R225 HydrophobicContact CE2-CG 3.72Å; Y212-R225 WeakPolarHBondContact OH-CG 3.25Å
213S95.2Very high96Very high16 Ų1663.9 Ų63.911%0.11237%0.367CS..  trans-64.2128.8175-165.10000110.8R185 A215 W216R185-S213 PolarHBondContact NH1-OG 2.99Å; S213-A215 PolarHBondContact O-N 3.38Å; S213-A215 PolarHBondContact OG-N 3.04Å; S213-W216 VanDerWaalsContact CB-CD2 3.41Å; S213-W216 PolarHBondContact O-N 3.45Å
214P94.3Very high96.2Very high136 Ų13657.7 Ų57.788%0.88334%0.338SS*.THydrogen-bonded Turntrans-63.5-18.4171.4-22.433.9000113.6Y212Y212-P214 WeakPolarHBondContact O-CD 3.49Å
215A94.9Very high96.3Very high84 Ų8462.4 Ų62.469%0.69435%0.354SS*.THydrogen-bonded Turntrans-79-17.8178.400000113.3S213S213-A215 PolarHBondContact O-N 3.38Å; S213-A215 PolarHBondContact OG-N 3.04Å
216W96.1Very high96.5Very high26 Ų2666.3 Ų66.310%0.09837%0.371CS..SBendtrans-75.3148.5-178.5-66.9-21.7000111.8F181 L184 R185 Y212 S213 K218 L220 V221 L224F181-W216 AromaticContact CD2-CH2 3.89Å; F181-W216 HydrophobicContact CD2-CH2 3.89Å; F181-W216 AromaticContact CD2-CZ3 3.84Å; F181-W216 HydrophobicContact CD2-CZ3 3.84Å; F181-W216 HydrophobicContact CE1-CH2 4.5Å; F181-W216 AromaticContact CE2-CH2 3.77Å; F181-W216 HydrophobicContact CE2-CH2 3.77Å; F181-W216 AromaticContact CE2-CZ3 3.69Å; F181-W216 HydrophobicContact CE2-CZ3 3.69Å; F181-W216 HydrophobicContact CG-CH2 4.31Å; F181-W216 HydrophobicContact CZ-CH2 4.09Å; F181-W216 HydrophobicContact CZ-CZ3 4.39Å; L184-W216 HydrophobicContact CB-CH2 4.17Å; L184-W216 HydrophobicContact CB-CZ2 3.6Å; R185-W216 HydrophobicContact CB-CH2 4.01Å; R185-W216 HydrophobicContact CB-CZ2 3.9Å; R185-W216 HydrophobicContact CG-CH2 4.44Å; R185-W216 HydrophobicContact CG-CZ2 4.37Å; Y212-W216 HydrophobicContact CD1-CE3 4.29Å; Y212-W216 HydrophobicContact CD1-CZ3 4.01Å; S213-W216 VanDerWaalsContact CB-CD2 3.41Å; S213-W216 PolarHBondContact O-N 3.45Å; W216-K218 PolarHBondContact O-N 2.85Å; W216-L220 HydrophobicContact CB-CD2 4.39Å; W216-L220 HydrophobicContact CG-CD2 4.49Å; W216-V221 HydrophobicContact CB-CG2 3.86Å; W216-V221 HydrophobicContact CE3-CG2 4.23Å; W216-L224 HydrophobicContact CE3-CD1 4.29Å; W216-L224 HydrophobicContact CZ3-CD1 4.01Å
217P96.5Very high96.8Very high43 Ų4362.1 Ų62.128%0.27934%0.341SS..  trans-52.6138.1172.2-26.433.1000111.8E85 D219 L220 V221 Y247E85-P217 VanDerWaalsContact OE1-CD 3.27Å; E85-P217 WeakPolarHBondContact OE1-CD 3.47Å; E85-P217 VanDerWaalsContact OE2-CD 3.24Å; E85-P217 WeakPolarHBondContact OE2-CD 3.37Å; E85-P217 WeakPolarHBondContact OE2-CG 3.48Å; P217-D219 PolarHBondContact O-N 3.27Å; P217-L220 HydrophobicContact CB-CB 4.08Å; P217-L220 HydrophobicContact CG-CB 4.45Å; P217-L220 WeakPolarHBondContact O-CB 3.48Å; P217-L220 PolarHBondContact O-N 2.86Å; P217-L220 VanDerWaalsContact O-N 3.14Å; P217-V221 PolarHBondContact O-N 3.23Å; P217-Y247 HydrophobicContact CB-CE2 4.47Å
218K97.9Very high97Very high187 Ų18758 Ų5881%0.81332%0.315SS*.Hα-helixtrans-58.9-37.3-179.2-67.5-176.8-179176.80112.1W216 V221 A222W216-K218 PolarHBondContact O-N 2.85Å; K218-V221 PolarHBondContact O-N 3.09Å; K218-A222 WeakPolarHBondContact O-CB 3.31Å; K218-A222 PolarHBondContact O-N 3.37Å
219D97.7Very high97.2Very high79 Ų7956.6 Ų56.642%0.42231%0.307SS..Hα-helixtrans-71.4-35.7-179.7-58.6-32.5000111.7P217 A222 L223 P246 Y247P217-D219 PolarHBondContact O-N 3.27Å; D219-A222 PolarHBondContact O-N 2.72Å; D219-L223 PolarHBondContact O-N 3.29Å; D219-P246 HydrophobicContact CB-CB 4.28Å; D219-Y247 HydrophobicContact CB-CD2 4.25Å
220L97.9Very high97.3Very high0 Ų055.1 Ų55.10%029%0.294CS..Hα-helixtrans-61.7-47.3171.6174.755.7000110.8L184 W216 P217 A222 L223 L224 Y247L184-L220 HydrophobicContact CD1-CD1 4.22Å; L184-L220 HydrophobicContact CD1-CD2 3.85Å; L184-L220 HydrophobicContact CD1-CG 4.41Å; L184-L220 HydrophobicContact CD2-CD2 4.39Å; W216-L220 HydrophobicContact CB-CD2 4.39Å; W216-L220 HydrophobicContact CG-CD2 4.49Å; P217-L220 HydrophobicContact CB-CB 4.08Å; P217-L220 HydrophobicContact CG-CB 4.45Å; P217-L220 WeakPolarHBondContact O-CB 3.48Å; P217-L220 PolarHBondContact O-N 2.86Å; P217-L220 VanDerWaalsContact O-N 3.14Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 2.63Å; L220-L223 PolarHBondContact O-N 3.28Å; L220-L224 HydrophobicContact CD1-CD1 4.19Å; L220-L224 HydrophobicContact CD1-CG 4.12Å; L220-L224 HydrophobicContact CG-CD1 4.26Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 2.89Å; L220-Y247 HydrophobicContact CB-CD1 4.46Å; L220-Y247 HydrophobicContact CB-CD2 3.74Å; L220-Y247 HydrophobicContact CB-CE1 4.32Å; L220-Y247 HydrophobicContact CB-CE2 3.58Å; L220-Y247 HydrophobicContact CB-CG 4.19Å; L220-Y247 HydrophobicContact CD1-CD1 4.07Å; L220-Y247 HydrophobicContact CD1-CE1 3.6Å; L220-Y247 HydrophobicContact CD1-CE2 4.37Å; L220-Y247 HydrophobicContact CG-CE1 4.43Å; L220-Y247 HydrophobicContact CG-CE2 4.35Å
221V98.3Very high97.3Very high12 Ų1257.3 Ų57.37%0.07331%0.306CS..Hα-helixtrans-61.4-39176.9174.10000111Y212 W216 P217 K218 L224 R225Y212-V221 HydrophobicContact CD1-CG1 3.87Å; Y212-V221 HydrophobicContact CD1-CG2 4.38Å; Y212-V221 HydrophobicContact CD2-CG1 4.18Å; Y212-V221 HydrophobicContact CE1-CG1 4.47Å; Y212-V221 HydrophobicContact CG-CG1 3.71Å; W216-V221 HydrophobicContact CB-CG2 3.86Å; W216-V221 HydrophobicContact CE3-CG2 4.23Å; P217-V221 PolarHBondContact O-N 3.23Å; K218-V221 PolarHBondContact O-N 3.09Å; V221-L224 PolarHBondContact O-N 2.79Å; V221-R225 WeakPolarHBondContact O-CB 3.38Å; V221-R225 VanDerWaalsContact O-CG 3.3Å; V221-R225 WeakPolarHBondContact O-CG 3.38Å; V221-R225 PolarHBondContact O-N 3.23Å
222A98.4Very high97.2Very high42 Ų4251.9 Ų51.935%0.34728%0.282SS..Hα-helixtrans-63.3-42.9175.900000111.9K218 D219 L220 R225 K226K218-A222 WeakPolarHBondContact O-CB 3.31Å; K218-A222 PolarHBondContact O-N 3.37Å; D219-A222 PolarHBondContact O-N 2.72Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 2.63Å; A222-R225 PolarHBondContact O-N 3.07Å; A222-K226 PolarHBondContact O-N 3.48Å; A222-K226 VanDerWaalsContact O-N 3.16Å
223L98.6Very high97.2Very high2 Ų257.5 Ų57.51%0.0131%0.31CS..Hα-helixtrans-62.5-49.1174.7177.958.6000112L92 D219 L220 R225 K226 L227 F236 M242 Y247 L248L92-L223 HydrophobicContact CD1-CD2 4.3Å; D219-L223 PolarHBondContact O-N 3.29Å; L220-L223 PolarHBondContact O-N 3.28Å; L223-R225 VanDerWaalsContact C-N 3.27Å; L223-R225 PolarHBondContact O-N 3.27Å; L223-K226 WeakPolarHBondContact O-CA 3.27Å; L223-K226 WeakPolarHBondContact O-CB 3.31Å; L223-K226 PolarHBondContact O-N 3.19Å; L223-L227 HydrophobicContact CG-CD1 4.45Å; L223-L227 PolarHBondContact O-N 2.79Å; L223-F236 HydrophobicContact CD1-CD2 3.91Å; L223-F236 HydrophobicContact CD1-CE2 4.11Å; L223-M242 HydrophobicContact CD1-CE 3.97Å; L223-M242 HydrophobicContact CD1-SD 3.76Å; L223-M242 HydrophobicContact CD2-CE 4.2Å; L223-Y247 HydrophobicContact CD2-CD1 3.74Å; L223-Y247 HydrophobicContact CD2-CG 4.48Å; L223-L248 HydrophobicContact CD2-CD1 3.98Å; L223-L248 HydrophobicContact CD2-CD2 4.42Å; L223-L248 HydrophobicContact CD2-CG 4.08Å
224L98.6Very high97.3Very high0 Ų062.3 Ų62.30%033%0.331CS..Hα-helixtrans-61.1-36.1178.4-69.2175.4000111.9A180 F181 L184 Y212 W216 L220 V221 K226 L227 L228A180-L224 HydrophobicContact CB-CD2 4.07Å; F181-L224 HydrophobicContact CD2-CD1 4.47Å; L184-L224 HydrophobicContact CD1-CD1 4.14Å; Y212-L224 HydrophobicContact CD1-CD1 4.46Å; Y212-L224 HydrophobicContact CE1-CB 3.72Å; Y212-L224 HydrophobicContact CE1-CD1 4.32Å; W216-L224 HydrophobicContact CE3-CD1 4.29Å; W216-L224 HydrophobicContact CZ3-CD1 4.01Å; L220-L224 HydrophobicContact CD1-CD1 4.19Å; L220-L224 HydrophobicContact CD1-CG 4.12Å; L220-L224 HydrophobicContact CG-CD1 4.26Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 2.89Å; V221-L224 PolarHBondContact O-N 2.79Å; L224-K226 VanDerWaalsContact C-N 3.31Å; L224-K226 PolarHBondContact O-N 2.75Å; L224-L227 PolarHBondContact O-N 3.28Å; L224-L228 VanDerWaalsContact O-CB 3.27Å; L224-L228 WeakPolarHBondContact O-CB 3.36Å; L224-L228 WeakPolarHBondContact O-CG 3.26Å; L224-L228 PolarHBondContact O-N 3.13Å
225R98.4Very high97.4Very high139 Ų13956.2 Ų56.253%0.52529%0.29SS..Hα-helixtrans-62.6-37172.7-77.5176.1-179.1144.70.8112.6Y212 V221 A222 L223 L228 T229Y212-R225 HydrophobicContact CE1-CG 4.39Å; Y212-R225 HydrophobicContact CE2-CG 3.72Å; Y212-R225 WeakPolarHBondContact OH-CG 3.25Å; V221-R225 WeakPolarHBondContact O-CB 3.38Å; V221-R225 VanDerWaalsContact O-CG 3.3Å; V221-R225 WeakPolarHBondContact O-CG 3.38Å; V221-R225 PolarHBondContact O-N 3.23Å; A222-R225 PolarHBondContact O-N 3.07Å; L223-R225 VanDerWaalsContact C-N 3.27Å; L223-R225 PolarHBondContact O-N 3.27Å; R225-L228 CarbonylContact O-C 3.59Å; R225-T229 PolarHBondContact O-N 3.42Å; R225-T229 VanDerWaalsContact O-N 3.13Å; R225-T229 PolarHBondContact O-OG1 3.16Å
226K98.6Very high97.6Very high94 Ų9453.3 Ų53.341%0.40926%0.262SS..Hα-helixtrans-69.1-39.4176.7-74.6-65.6-168.3172.40112.5A222 L223 L224 T229 R235 F236A222-K226 PolarHBondContact O-N 3.48Å; A222-K226 VanDerWaalsContact O-N 3.16Å; L223-K226 WeakPolarHBondContact O-CA 3.27Å; L223-K226 WeakPolarHBondContact O-CB 3.31Å; L223-K226 PolarHBondContact O-N 3.19Å; L224-K226 VanDerWaalsContact C-N 3.31Å; L224-K226 PolarHBondContact O-N 2.75Å; K226-T229 PolarHBondContact O-OG1 2.73Å; K226-R235 WeakPolarHBondContact O-CA 3.16Å; K226-R235 VanDerWaalsContact O-CG 3.25Å; K226-R235 WeakPolarHBondContact O-CG 3.23Å; K226-F236 HydrophobicContact CB-CB 4.35Å; K226-F236 HydrophobicContact CB-CD1 3.72Å; K226-F236 HydrophobicContact CB-CD2 3.84Å; K226-F236 HydrophobicContact CB-CE1 3.98Å; K226-F236 HydrophobicContact CB-CE2 4.08Å; K226-F236 HydrophobicContact CB-CG 3.66Å; K226-F236 HydrophobicContact CB-CZ 4.15Å; K226-F236 HydrophobicContact CD-CD1 3.93Å; K226-F236 HydrophobicContact CD-CE1 3.66Å; K226-F236 HydrophobicContact CD-CZ 4.23Å; K226-F236 HydrophobicContact CG-CD1 4Å; K226-F236 HydrophobicContact CG-CD2 4.43Å; K226-F236 HydrophobicContact CG-CE1 3.74Å; K226-F236 HydrophobicContact CG-CE2 4.19Å; K226-F236 HydrophobicContact CG-CG 4.36Å; K226-F236 HydrophobicContact CG-CZ 3.84Å; K226-F236 PolarHBondContact O-N 3.44Å
227L98.8Very high97.7Very high0 Ų053.2 Ų53.20%027%0.265CS..Hα-helixtrans-70.1-40.1173.6-67.5170.4000112.1L92 W173 L223 L224 T229 R235 F236 M242L92-L227 HydrophobicContact CD2-CD1 4.11Å; W173-L227 HydrophobicContact CB-CD2 4.28Å; W173-L227 HydrophobicContact CE3-CD2 4.24Å; L223-L227 HydrophobicContact CG-CD1 4.45Å; L223-L227 PolarHBondContact O-N 2.79Å; L224-L227 PolarHBondContact O-N 3.28Å; L227-T229 PolarHBondContact O-N 3.01Å; L227-R235 WeakPolarHBondContact O-CD 3.17Å; L227-R235 VanDerWaalsContact O-CG 3.23Å; L227-R235 WeakPolarHBondContact O-CG 3.32Å; L227-F236 HydrophobicContact CD2-CB 4.16Å; L227-M242 HydrophobicContact CD1-CE 4.35Å; L227-M242 HydrophobicContact CD2-SD 3.94Å; L227-M242 HydrophobicContact CG-SD 4.49Å
228L98.6Very high97.8Very high10 Ų1052.4 Ų52.45%0.05226%0.26CS..THydrogen-bonded Turntrans-90.829.5178.6-60.2175.9000112.6W174 V178 P189 V210 L224 R225W174-L228 HydrophobicContact CD2-CD2 4.21Å; W174-L228 HydrophobicContact CE3-CD2 4.37Å; W174-L228 HydrophobicContact CZ2-CD2 4.41Å; W174-L228 VanDerWaalsContact CZ3-C 3.43Å; W174-L228 HydrophobicContact CZ3-CB 4.36Å; W174-L228 WeakPolarHBondContact CZ3-O 3.43Å; V178-L228 HydrophobicContact CG2-CD2 3.66Å; P189-L228 HydrophobicContact CB-CD1 4.32Å; P189-L228 HydrophobicContact CG-CD1 4.23Å; V210-L228 HydrophobicContact CG1-CD1 4.36Å; V210-L228 HydrophobicContact CG2-CD1 4.35Å; L224-L228 VanDerWaalsContact O-CB 3.27Å; L224-L228 WeakPolarHBondContact O-CB 3.36Å; L224-L228 WeakPolarHBondContact O-CG 3.26Å; L224-L228 PolarHBondContact O-N 3.13Å; R225-L228 CarbonylContact O-C 3.59Å
229T98.2Very high97.8Very high36 Ų3645 Ų4522%0.22123%0.229CC..  trans-78.4123.6172.2-67.70000109.4R225 K226 L227 N231 H234 R235R225-T229 PolarHBondContact O-N 3.42Å; R225-T229 VanDerWaalsContact O-N 3.13Å; R225-T229 PolarHBondContact O-OG1 3.16Å; K226-T229 PolarHBondContact O-OG1 2.73Å; L227-T229 PolarHBondContact O-N 3.01Å; T229-N231 PolarHBondContact O-N 2.87Å; T229-H234 HydrophobicContact CG2-CB 3.82Å; T229-R235 PolarHBondContact O-NE 2.94Å; T229-R235 PolarHBondContact O-NH2 3.16Å
230V96.7Very high97.9Very high53 Ų5344.8 Ų44.832%0.32123%0.234SC..SBendtrans-63.4-42.6-174.5172.50000112P154 W174 P232 R235P154-V230 HydrophobicContact CB-CG1 4.08Å; P154-V230 HydrophobicContact CG-CG1 4.06Å; P154-V230 HydrophobicContact CG-CG2 4.43Å; W174-V230 HydrophobicContact CH2-CG2 4.27Å; W174-V230 HydrophobicContact CZ3-CG2 4.27Å; V230-P232 VanDerWaalsContact O-CD 3.32Å; V230-P232 WeakPolarHBondContact O-CD 3.42Å; V230-R235 PolarHBondContact O-NH2 3.38Å; V230-R235 VanDerWaalsContact O-NH2 3.14Å
231N95.7Very high97.9Very high64 Ų6447 Ų4734%0.34225%0.246SC..SBendtrans-75.9115.5174.2-176.2-3.8000109.9T229 E233 H234 R235T229-N231 PolarHBondContact O-N 2.87Å; N231-E233 PolarHBondContact O-N 2.68Å; N231-E233 PolarHBondContact OD1-N 2.74Å; N231-E233 VanDerWaalsContact OD1-N 3.1Å; N231-H234 PolarHBondContact O-N 3.43Å; N231-H234 VanDerWaalsContact O-N 3.11Å; N231-R235 PolarHBondContact O-N 3.45Å
232P96.1Very high97.9Very high24 Ų2446.5 Ų46.516%0.15624%0.243CC..G310 helixtrans-59.3-29.5-179.523.4-33.8000113.5E155 E170 V230 H234 R235E155-P232 HydrophobicContact CB-CG 4.47Å; E155-P232 HydrophobicContact CG-CG 4.36Å; E170-P232 HydrophobicContact CB-CB 3.91Å; E170-P232 HydrophobicContact CG-CB 4.13Å; V230-P232 VanDerWaalsContact O-CD 3.32Å; V230-P232 WeakPolarHBondContact O-CD 3.42Å; P232-H234 PolarHBondContact O-N 2.86Å; P232-H234 VanDerWaalsContact O-N 3.15Å; P232-R235 WeakPolarHBondContact O-CB 3.47Å; P232-R235 PolarHBondContact O-N 3.19Å; P232-R235 VanDerWaalsContact O-N 3.16Å
233E95.1Very high97.9Very high160 Ų16048.8 Ų48.875%0.74825%0.246SC*.G310 helixtrans-66.7-16178.9-62.4-176.4160.900114.1N231N231-E233 PolarHBondContact O-N 2.68Å; N231-E233 PolarHBondContact OD1-N 2.74Å; N231-E233 VanDerWaalsContact OD1-N 3.1Å
234H97.1Very high97.8Very high118 Ų11853.2 Ų53.255%0.54627%0.273SS..G310 helixtrans-113-0.1178.8-61.6-28.7000112.6T229 N231 P232T229-H234 HydrophobicContact CG2-CB 3.82Å; N231-H234 PolarHBondContact O-N 3.43Å; N231-H234 VanDerWaalsContact O-N 3.11Å; P232-H234 PolarHBondContact O-N 2.86Å; P232-H234 VanDerWaalsContact O-N 3.15Å
235R98.4Very high97.8Very high7 Ų753.5 Ų53.53%0.02628%0.275CS..SBendtrans-81.3146.4178.8-165.2-176.6-62.41434.6109.5E155 E170 K226 L227 T229 V230 N231 P232 S237E155-R235 IonicContact OE1-CZ 3.15Å; E155-R235 IonicContact OE1-NH1 3.29Å; E155-R235 PolarHBondContact OE1-NH1 3.33Å; E155-R235 IonicContact OE1-NH2 3.72Å; E155-R235 PolarHBondContact OE1-NH2 2.97Å; E155-R235 IonicContact OE2-CZ 3.23Å; E155-R235 IonicContact OE2-NH1 2.72Å; E155-R235 IonicContact OE2-NH2 2.7Å; E155-R235 PolarHBondContact OE2-NH2 2.72Å; E170-R235 PolarHBondContact O-NH1 3.35Å; K226-R235 WeakPolarHBondContact O-CA 3.16Å; K226-R235 VanDerWaalsContact O-CG 3.25Å; K226-R235 WeakPolarHBondContact O-CG 3.23Å; L227-R235 WeakPolarHBondContact O-CD 3.17Å; L227-R235 VanDerWaalsContact O-CG 3.23Å; L227-R235 WeakPolarHBondContact O-CG 3.32Å; T229-R235 PolarHBondContact O-NE 2.94Å; T229-R235 PolarHBondContact O-NH2 3.16Å; V230-R235 PolarHBondContact O-NH2 3.38Å; V230-R235 VanDerWaalsContact O-NH2 3.14Å; N231-R235 PolarHBondContact O-N 3.45Å; P232-R235 WeakPolarHBondContact O-CB 3.47Å; P232-R235 PolarHBondContact O-N 3.19Å; P232-R235 VanDerWaalsContact O-N 3.16Å; R235-S237 PolarHBondContact O-N 3.47Å
236F98.4Very high97.8Very high24 Ų2451 Ų5111%0.10528%0.278CS..  trans-67.3128.3167.2-79.410.6000109.3W173 L223 K226 L227 D241 M242W173-F236 VanDerWaalsContact CB-O 3.27Å; W173-F236 WeakPolarHBondContact CB-O 3.43Å; L223-F236 HydrophobicContact CD1-CD2 3.91Å; L223-F236 HydrophobicContact CD1-CE2 4.11Å; K226-F236 HydrophobicContact CB-CB 4.35Å; K226-F236 HydrophobicContact CB-CD1 3.72Å; K226-F236 HydrophobicContact CB-CD2 3.84Å; K226-F236 HydrophobicContact CB-CE1 3.98Å; K226-F236 HydrophobicContact CB-CE2 4.08Å; K226-F236 HydrophobicContact CB-CG 3.66Å; K226-F236 HydrophobicContact CB-CZ 4.15Å; K226-F236 HydrophobicContact CD-CD1 3.93Å; K226-F236 HydrophobicContact CD-CE1 3.66Å; K226-F236 HydrophobicContact CD-CZ 4.23Å; K226-F236 HydrophobicContact CG-CD1 4Å; K226-F236 HydrophobicContact CG-CD2 4.43Å; K226-F236 HydrophobicContact CG-CE1 3.74Å; K226-F236 HydrophobicContact CG-CE2 4.19Å; K226-F236 HydrophobicContact CG-CG 4.36Å; K226-F236 HydrophobicContact CG-CZ 3.84Å; K226-F236 PolarHBondContact O-N 3.44Å; L227-F236 HydrophobicContact CD2-CB 4.16Å; F236-D241 HydrophobicContact CB-CB 3.85Å; F236-D241 HydrophobicContact CD1-CB 3.8Å; F236-D241 HydrophobicContact CD2-CB 3.94Å; F236-D241 HydrophobicContact CE1-CB 4.24Å; F236-D241 HydrophobicContact CE2-CB 4.37Å; F236-D241 WeakPolarHBondContact CE2-O 3.41Å; F236-D241 HydrophobicContact CG-CB 3.62Å; F236-M242 HydrophobicContact CB-SD 4.4Å; F236-M242 HydrophobicContact CD2-SD 4.02Å
237S98.1Very high97.7Very high24 Ų2447.4 Ų47.417%0.16826%0.261CS..  trans-146.825.6-173.658.40000113.6Q103 W173 R235 D241Q103-S237 PolarHBondContact OE1-O 2.73Å; W173-S237 VanDerWaalsContact NE1-C 3.34Å; W173-S237 PolarHBondContact NE1-O 3.42Å; W173-S237 VanDerWaalsContact NE1-O 3.14Å; R235-S237 PolarHBondContact O-N 3.47Å; S237-D241 PolarHBondContact N-OD2 2.5Å
238S98.4Very high97.7Very high25 Ų2547.5 Ų47.518%0.17526%0.262CS..SBendtrans-155.3161.8176.364.50000111.8W173 S240 D241 M242W173-S238 VanDerWaalsContact CH2-C 3.45Å; S238-S240 PolarHBondContact O-N 3.13Å; S238-D241 PolarHBondContact N-OD2 3.41Å; S238-D241 PolarHBondContact O-N 3.39Å; S238-D241 PolarHBondContact OG-N 2.96Å; S238-D241 VanDerWaalsContact OG-N 3.13Å; S238-D241 PolarHBondContact OG-OD2 2.98Å; S238-M242 WeakPolarHBondContact O-CG 2.93Å; S238-M242 PolarHBondContact O-N 3.49Å
239L98.5Very high97.5Very high31 Ų3150.6 Ų50.616%0.16229%0.289CS..Hα-helixtrans-56.2-41.2169.5172.561.9000111.6T96 L97 D100 D241 M242 Q243 W253T96-L239 HydrophobicContact CG2-CB 4.34Å; T96-L239 HydrophobicContact CG2-CD1 3.71Å; L97-L239 HydrophobicContact CD2-CD1 4.11Å; L97-L239 HydrophobicContact CD2-CD2 4.06Å; D100-L239 HydrophobicContact CB-CB 3.92Å; D100-L239 WeakPolarHBondContact OD1-CB 3.15Å; D100-L239 PolarHBondContact OD1-N 3.05Å; L239-D241 VanDerWaalsContact C-N 3.33Å; L239-D241 PolarHBondContact O-N 2.91Å; L239-M242 PolarHBondContact O-N 3.05Å; L239-Q243 HydrophobicContact CD1-CG 4.06Å; L239-Q243 HydrophobicContact CG-CG 4.36Å; L239-Q243 WeakPolarHBondContact O-CB 3.41Å; L239-Q243 WeakPolarHBondContact O-CG 3.33Å; L239-Q243 PolarHBondContact O-N 3.42Å; L239-W253 HydrophobicContact CD1-CD2 3.91Å; L239-W253 HydrophobicContact CD1-CE3 3.57Å; L239-W253 HydrophobicContact CD1-CH2 3.97Å; L239-W253 HydrophobicContact CD1-CZ2 4.3Å; L239-W253 HydrophobicContact CD1-CZ3 3.61Å
240S98.3Very high97.4Very high76 Ų7655 Ų5553%0.53132%0.316SS..Hα-helixtrans-57.7-45.8178.2-178.10000111.4S238 M242 Q243 T244S238-S240 PolarHBondContact O-N 3.13Å; S240-M242 PolarHBondContact O-N 3.16Å; S240-Q243 WeakPolarHBondContact O-CB 3.35Å; S240-Q243 PolarHBondContact O-N 2.83Å; S240-T244 VanDerWaalsContact O-CG2 3.31Å; S240-T244 WeakPolarHBondContact O-CG2 3.37Å; S240-T244 PolarHBondContact O-N 2.93Å
241D98.3Very high97.4Very high47 Ų4753.4 Ų53.425%0.25131%0.307SS..Hα-helixtrans-60.8-47.3177.1-64.9-39.4000111.4F236 S237 S238 L239 Q243 T244F236-D241 HydrophobicContact CB-CB 3.85Å; F236-D241 HydrophobicContact CD1-CB 3.8Å; F236-D241 HydrophobicContact CD2-CB 3.94Å; F236-D241 HydrophobicContact CE1-CB 4.24Å; F236-D241 HydrophobicContact CE2-CB 4.37Å; F236-D241 WeakPolarHBondContact CE2-O 3.41Å; F236-D241 HydrophobicContact CG-CB 3.62Å; S237-D241 PolarHBondContact N-OD2 2.5Å; S238-D241 PolarHBondContact N-OD2 3.41Å; S238-D241 PolarHBondContact O-N 3.39Å; S238-D241 PolarHBondContact OG-N 2.96Å; S238-D241 VanDerWaalsContact OG-N 3.13Å; S238-D241 PolarHBondContact OG-OD2 2.98Å; L239-D241 VanDerWaalsContact C-N 3.33Å; L239-D241 PolarHBondContact O-N 2.91Å; D241-Q243 VanDerWaalsContact C-N 3.28Å; D241-Q243 PolarHBondContact O-N 3.38Å; D241-T244 WeakPolarHBondContact O-CB 3.37Å; D241-T244 PolarHBondContact O-N 2.99Å; D241-T244 PolarHBondContact O-OG1 2.85Å
242M98.4Very high97.5Very high0 Ų054.4 Ų54.40%031%0.312CS..Hα-helixtrans-59.7-39.5178.8-65.8-62.2-78.300111.9T96 W173 L223 L227 F236 S238 L239 S240 T244 S245 L248 W253T96-M242 HydrophobicContact CG2-CB 3.84Å; T96-M242 HydrophobicContact CG2-CG 3.66Å; T96-M242 WeakPolarHBondContact OG1-CE 3.45Å; W173-M242 HydrophobicContact CE3-CG 4.36Å; W173-M242 HydrophobicContact CH2-CG 4.36Å; W173-M242 HydrophobicContact CZ3-CG 3.61Å; W173-M242 HydrophobicContact CZ3-SD 4.28Å; L223-M242 HydrophobicContact CD1-CE 3.97Å; L223-M242 HydrophobicContact CD1-SD 3.76Å; L223-M242 HydrophobicContact CD2-CE 4.2Å; L227-M242 HydrophobicContact CD1-CE 4.35Å; L227-M242 HydrophobicContact CD2-SD 3.94Å; L227-M242 HydrophobicContact CG-SD 4.49Å; F236-M242 HydrophobicContact CB-SD 4.4Å; F236-M242 HydrophobicContact CD2-SD 4.02Å; S238-M242 WeakPolarHBondContact O-CG 2.93Å; S238-M242 PolarHBondContact O-N 3.49Å; L239-M242 PolarHBondContact O-N 3.05Å; S240-M242 PolarHBondContact O-N 3.16Å; M242-T244 VanDerWaalsContact C-N 3.26Å; M242-T244 PolarHBondContact O-N 3.23Å; M242-S245 WeakPolarHBondContact O-CB 3.48Å; M242-S245 PolarHBondContact O-N 3.36Å; M242-S245 VanDerWaalsContact O-N 3.11Å; M242-L248 HydrophobicContact CB-CD1 4.25Å; M242-L248 HydrophobicContact CE-CD1 3.93Å; M242-W253 HydrophobicContact CB-CH2 4.22Å; M242-W253 HydrophobicContact CB-CZ2 4.46Å
243Q98.1Very high97.6Very high91 Ų9154.6 Ų54.643%0.42531%0.309SS..Hα-helixtrans-64.9-25.3176.1-75.5176.3-19.600113.5L239 S240 D241 S245 W253L239-Q243 HydrophobicContact CD1-CG 4.06Å; L239-Q243 HydrophobicContact CG-CG 4.36Å; L239-Q243 WeakPolarHBondContact O-CB 3.41Å; L239-Q243 WeakPolarHBondContact O-CG 3.33Å; L239-Q243 PolarHBondContact O-N 3.42Å; S240-Q243 WeakPolarHBondContact O-CB 3.35Å; S240-Q243 PolarHBondContact O-N 2.83Å; D241-Q243 VanDerWaalsContact C-N 3.28Å; D241-Q243 PolarHBondContact O-N 3.38Å; Q243-S245 PolarHBondContact O-N 3.45Å; Q243-W253 HydrophobicContact CG-CD2 4.35Å; Q243-W253 HydrophobicContact CG-CZ2 4.02Å
244T97.9Very high97.7Very high94 Ų9452.7 Ų52.758%0.57730%0.304SS*.THydrogen-bonded Turntrans-74.9-13.6174.273.70000113.8S240 D241 M242 P246S240-T244 VanDerWaalsContact O-CG2 3.31Å; S240-T244 WeakPolarHBondContact O-CG2 3.37Å; S240-T244 PolarHBondContact O-N 2.93Å; D241-T244 WeakPolarHBondContact O-CB 3.37Å; D241-T244 PolarHBondContact O-N 2.99Å; D241-T244 PolarHBondContact O-OG1 2.85Å; M242-T244 VanDerWaalsContact C-N 3.26Å; M242-T244 PolarHBondContact O-N 3.23Å; T244-P246 WeakPolarHBondContact O-CD 3.31Å
245S97.8Very high97.8Very high6 Ų647.7 Ų47.74%0.04228%0.283CS..  trans-68.5126.9-178.5-178.40000111.7M242 Q243 Y247 L248 A249M242-S245 WeakPolarHBondContact O-CB 3.48Å; M242-S245 PolarHBondContact O-N 3.36Å; M242-S245 VanDerWaalsContact O-N 3.11Å; Q243-S245 PolarHBondContact O-N 3.45Å; S245-Y247 PolarHBondContact O-N 3.25Å; S245-Y247 VanDerWaalsContact O-N 3.13Å; S245-Y247 PolarHBondContact OG-N 3.13Å; S245-L248 PolarHBondContact O-N 2.84Å; S245-A249 PolarHBondContact O-N 3.16Å
246P97.6Very high97.8Very high88 Ų8847.4 Ų47.457%0.57128%0.282SS*.G310 helixtrans-56.4-29.7172.4-26.235.3000113.4D219 T244 L248 A249D219-P246 HydrophobicContact CB-CB 4.28Å; T244-P246 WeakPolarHBondContact O-CD 3.31Å; P246-L248 PolarHBondContact O-N 3.33Å; P246-A249 WeakPolarHBondContact O-CB 3.39Å; P246-A249 PolarHBondContact O-N 2.71Å
247Y97.9Very high97.8Very high17 Ų1751.5 Ų51.57%0.06730%0.298CS..G310 helixtrans-64.8-26.4178.7-172.9-114.6000113.3E85 R89 P217 D219 L220 L223 S245E85-Y247 PolarHBondContact O-OH 3.31Å; R89-Y247 HydrophobicContact CB-CE1 4.03Å; R89-Y247 HydrophobicContact CG-CD1 4.44Å; R89-Y247 HydrophobicContact CG-CE1 3.73Å; R89-Y247 VanDerWaalsContact NE-CZ 3.26Å; R89-Y247 PolarHBondContact NE-OH 3.31Å; R89-Y247 PolarHBondContact NH2-OH 3.14Å; R89-Y247 VanDerWaalsContact NH2-OH 3.13Å; P217-Y247 HydrophobicContact CB-CE2 4.47Å; D219-Y247 HydrophobicContact CB-CD2 4.25Å; L220-Y247 HydrophobicContact CB-CD1 4.46Å; L220-Y247 HydrophobicContact CB-CD2 3.74Å; L220-Y247 HydrophobicContact CB-CE1 4.32Å; L220-Y247 HydrophobicContact CB-CE2 3.58Å; L220-Y247 HydrophobicContact CB-CG 4.19Å; L220-Y247 HydrophobicContact CD1-CD1 4.07Å; L220-Y247 HydrophobicContact CD1-CE1 3.6Å; L220-Y247 HydrophobicContact CD1-CE2 4.37Å; L220-Y247 HydrophobicContact CG-CE1 4.43Å; L220-Y247 HydrophobicContact CG-CE2 4.35Å; L223-Y247 HydrophobicContact CD2-CD1 3.74Å; L223-Y247 HydrophobicContact CD2-CG 4.48Å; S245-Y247 PolarHBondContact O-N 3.25Å; S245-Y247 VanDerWaalsContact O-N 3.13Å; S245-Y247 PolarHBondContact OG-N 3.13Å
248L97.8Very high97.8Very high2 Ų255.6 Ų55.61%0.0131%0.314CS..G310 helixtrans-110.49.7-177-55.4-178.5000112.3R89 L223 M242 S245 P246 T250 V251 W253R89-L248 HydrophobicContact CG-CD2 3.72Å; L223-L248 HydrophobicContact CD2-CD1 3.98Å; L223-L248 HydrophobicContact CD2-CD2 4.42Å; L223-L248 HydrophobicContact CD2-CG 4.08Å; M242-L248 HydrophobicContact CB-CD1 4.25Å; M242-L248 HydrophobicContact CE-CD1 3.93Å; S245-L248 PolarHBondContact O-N 2.84Å; P246-L248 PolarHBondContact O-N 3.33Å; L248-T250 PolarHBondContact O-N 3.38Å; L248-T250 VanDerWaalsContact O-N 3.14Å; L248-V251 HydrophobicContact CB-CG2 4.11Å; L248-V251 HydrophobicContact CD2-CG2 4.1Å; L248-V251 WeakPolarHBondContact O-CB 3.32Å; L248-V251 PolarHBondContact O-N 3.15Å; L248-W253 HydrophobicContact CB-CZ2 4.27Å; L248-W253 HydrophobicContact CD1-CH2 4.05Å; L248-W253 HydrophobicContact CD1-CZ2 3.93Å
249A95.9Very high97.7Very high76 Ų7657.6 Ų57.663%0.62832%0.32SS*.THydrogen-bonded Turntrans-61.9-25.9-17400000114.1S245 P246S245-A249 PolarHBondContact O-N 3.16Å; P246-A249 WeakPolarHBondContact O-CB 3.39Å; P246-A249 PolarHBondContact O-N 2.71Å
250T94.3Very high97.6Very high129 Ų12962.7 Ų62.779%0.79134%0.341SS*.THydrogen-bonded Turntrans-94.9-1.7179.257.80000113.6L248 N252L248-T250 PolarHBondContact O-N 3.38Å; L248-T250 VanDerWaalsContact O-N 3.14Å; T250-N252 PolarHBondContact O-N 3.11Å
251V97.4Very high97.4Very high19 Ų1962.6 Ų62.612%0.11533%0.333CS..  trans-73.8125.7-177.9175.60000109.7L248 W253 V256L248-V251 HydrophobicContact CB-CG2 4.11Å; L248-V251 HydrophobicContact CD2-CG2 4.1Å; L248-V251 WeakPolarHBondContact O-CB 3.32Å; L248-V251 PolarHBondContact O-N 3.15Å; V251-W253 HydrophobicContact CG1-CD2 4.1Å; V251-W253 HydrophobicContact CG1-CG 4.29Å; V251-W253 HydrophobicContact CG1-CZ2 4.48Å; V251-W253 PolarHBondContact O-N 3.22Å; V251-V256 HydrophobicContact CG1-CG2 3.73Å
252N97.6Very high97Very high84 Ų8468.7 Ų68.745%0.44936%0.36SS..  trans-86.9101.5166.5-178.6-18.1000109T250 D254 A255 V256T250-N252 PolarHBondContact O-N 3.11Å; N252-D254 VanDerWaalsContact C-N 3.34Å; N252-D254 PolarHBondContact O-N 2.89Å; N252-D254 PolarHBondContact OD1-N 3.48Å; N252-A255 HydrophobicContact CB-CB 3.88Å; N252-A255 WeakPolarHBondContact O-CB 3.48Å; N252-A255 PolarHBondContact O-N 2.66Å; N252-A255 PolarHBondContact OD1-N 2.62Å; N252-A255 VanDerWaalsContact OD1-N 3.09Å; N252-V256 WeakPolarHBondContact O-CG2 3.47Å; N252-V256 PolarHBondContact O-N 3.06Å
253W98.1Very high96.5Very high28 Ų2869.7 Ų69.711%0.10637%0.366CS..Hα-helixtrans-66.6-31.9-175.9-66.789.1000113.6C93 T96 L97 L239 M242 Q243 L248 V251 V256 Y257C93-W253 HydrophobicContact CB-CE3 4.45Å; C93-W253 HydrophobicContact CB-CH2 4.16Å; C93-W253 HydrophobicContact CB-CZ3 3.84Å; T96-W253 HydrophobicContact CG2-CH2 3.79Å; T96-W253 HydrophobicContact CG2-CZ3 3.73Å; L97-W253 HydrophobicContact CD1-CE3 4.32Å; L97-W253 HydrophobicContact CD2-CE3 4.08Å; L97-W253 HydrophobicContact CG-CE3 4.06Å; L97-W253 HydrophobicContact CG-CZ3 4.29Å; L239-W253 HydrophobicContact CD1-CD2 3.91Å; L239-W253 HydrophobicContact CD1-CE3 3.57Å; L239-W253 HydrophobicContact CD1-CH2 3.97Å; L239-W253 HydrophobicContact CD1-CZ2 4.3Å; L239-W253 HydrophobicContact CD1-CZ3 3.61Å; M242-W253 HydrophobicContact CB-CH2 4.22Å; M242-W253 HydrophobicContact CB-CZ2 4.46Å; Q243-W253 HydrophobicContact CG-CD2 4.35Å; Q243-W253 HydrophobicContact CG-CZ2 4.02Å; L248-W253 HydrophobicContact CB-CZ2 4.27Å; L248-W253 HydrophobicContact CD1-CH2 4.05Å; L248-W253 HydrophobicContact CD1-CZ2 3.93Å; V251-W253 HydrophobicContact CG1-CD2 4.1Å; V251-W253 HydrophobicContact CG1-CG 4.29Å; V251-W253 HydrophobicContact CG1-CZ2 4.48Å; V251-W253 PolarHBondContact O-N 3.22Å; W253-V256 WeakPolarHBondContact O-CB 3.33Å; W253-V256 PolarHBondContact O-N 3.1Å; W253-Y257 PolarHBondContact O-N 3.02Å
254D98.1Very high95.9Very high120 Ų12067.3 Ų67.364%0.64237%0.367SS*.Hα-helixtrans-65.5-42.9173.4-60.8-38.4000110.2N252 V256 Y257 E258N252-D254 VanDerWaalsContact C-N 3.34Å; N252-D254 PolarHBondContact O-N 2.89Å; N252-D254 PolarHBondContact OD1-N 3.48Å; D254-V256 VanDerWaalsContact C-N 3.29Å; D254-V256 PolarHBondContact O-N 2.85Å; D254-Y257 PolarHBondContact O-N 3.39Å; D254-E258 WeakPolarHBondContact O-CB 3.48Å; D254-E258 VanDerWaalsContact O-CG 3.29Å; D254-E258 WeakPolarHBondContact O-CG 3.48Å; D254-E258 PolarHBondContact O-N 3.14Å
255A98.1Very high95.5Very high13 Ų1364.8 Ų64.811%0.10735%0.348CS..Hα-helixtrans-66.5-31.2175.700000112.6N252 K259 K260 M261N252-A255 HydrophobicContact CB-CB 3.88Å; N252-A255 WeakPolarHBondContact O-CB 3.48Å; N252-A255 PolarHBondContact O-N 2.66Å; N252-A255 PolarHBondContact OD1-N 2.62Å; N252-A255 VanDerWaalsContact OD1-N 3.09Å; A255-K259 PolarHBondContact O-N 3.04Å; A255-K260 HydrophobicContact CB-CB 4.24Å; A255-K260 PolarHBondContact O-N 3.27Å; A255-M261 HydrophobicContact CB-CG 4.18Å; A255-M261 HydrophobicContact CB-SD 4.42Å
256V98.3Very high94.9Very high1 Ų167.9 Ų67.91%0.00637%0.366CS..Hα-helixtrans-63.6-56.3169.4177.90000108.9F47 L90 C93 E94 L97 V251 N252 W253 D254 E258 K259 M261F47-V256 HydrophobicContact CE2-CG1 4.11Å; F47-V256 HydrophobicContact CZ-CG1 4.04Å; F47-V256 VanDerWaalsContact CZ-O 3.26Å; F47-V256 WeakPolarHBondContact CZ-O 3.44Å; L90-V256 HydrophobicContact CD1-CG1 4.28Å; L90-V256 HydrophobicContact CD1-CG2 4.25Å; C93-V256 HydrophobicContact CB-CG1 4.02Å; C93-V256 HydrophobicContact CB-CG2 4.12Å; E94-V256 HydrophobicContact CG-CG1 3.9Å; L97-V256 HydrophobicContact CD1-CB 4.13Å; L97-V256 HydrophobicContact CD1-CG1 3.69Å; V251-V256 HydrophobicContact CG1-CG2 3.73Å; N252-V256 WeakPolarHBondContact O-CG2 3.47Å; N252-V256 PolarHBondContact O-N 3.06Å; W253-V256 WeakPolarHBondContact O-CB 3.33Å; W253-V256 PolarHBondContact O-N 3.1Å; D254-V256 VanDerWaalsContact C-N 3.29Å; D254-V256 PolarHBondContact O-N 2.85Å; V256-E258 VanDerWaalsContact C-N 3.25Å; V256-E258 PolarHBondContact O-N 2.85Å; V256-K259 WeakPolarHBondContact O-CA 3.43Å; V256-K259 PolarHBondContact O-N 3.47Å; V256-M261 HydrophobicContact CG2-CG 3.91Å
257Y98.2Very high94.1Very high111 Ų11164 Ų6444%0.43534%0.341SS..Hα-helixtrans-55-39.7-178.7-172.7-89.7000113.1H45 V46 L97 W253 D254 K259H45-Y257 AromaticContact NE2-CE2 3.6Å; V46-Y257 HydrophobicContact CG1-CE1 4.21Å; V46-Y257 HydrophobicContact CG1-CE2 4.47Å; V46-Y257 HydrophobicContact CG2-CD2 3.88Å; V46-Y257 HydrophobicContact CG2-CE2 3.81Å; V46-Y257 HydrophobicContact CG2-CG 4.33Å; L97-Y257 HydrophobicContact CD1-CD2 4.45Å; W253-Y257 PolarHBondContact O-N 3.02Å; D254-Y257 PolarHBondContact O-N 3.39Å; Y257-K259 PolarHBondContact O-N 3.19Å
258E98Very high92.9Very high109 Ų10969.2 Ų69.251%0.50937%0.37SS..THydrogen-bonded Turntrans-78.24.2176.4-65.6179146.200114D254 V256 K260D254-E258 WeakPolarHBondContact O-CB 3.48Å; D254-E258 VanDerWaalsContact O-CG 3.29Å; D254-E258 WeakPolarHBondContact O-CG 3.48Å; D254-E258 PolarHBondContact O-N 3.14Å; V256-E258 VanDerWaalsContact C-N 3.25Å; V256-E258 PolarHBondContact O-N 2.85Å; E258-K260 VanDerWaalsContact C-N 3.26Å; E258-K260 HydrophobicContact CB-CD 4.08Å; E258-K260 HydrophobicContact CB-CG 4.02Å; E258-K260 PolarHBondContact O-N 3.48Å; E258-K260 IonicContact OE1-NZ 2.71Å; E258-K260 WeakPolarHBondContact OE2-CD 3.37Å; E258-K260 WeakPolarHBondContact OE2-CE 3.47Å; E258-K260 IonicContact OE2-NZ 2.66Å; E258-K260 PolarHBondContact OE2-NZ 3.18Å
259K97.3Very high91Very high68 Ų6878.1 Ų78.130%0.29641%0.409SS..THydrogen-bonded Turntrans52.938.7-176.6-65.3-175.8173.5-171.70113.6V46 F47 D120 H124 H126 A255 V256 Y257V46-K259 VanDerWaalsContact O-CE 3.31Å; V46-K259 WeakPolarHBondContact O-CE 3.35Å; V46-K259 PolarHBondContact O-NZ 3.35Å; F47-K259 HydrophobicContact CE1-CD 4.39Å; F47-K259 HydrophobicContact CE1-CG 3.87Å; F47-K259 HydrophobicContact CZ-CG 4.1Å; D120-K259 IonicContact OD2-NZ 3.3Å; D120-K259 PolarHBondContact OD2-NZ 3.38Å; D120-K259 VanDerWaalsContact OD2-NZ 3.15Å; H124-K259 HydrophobicContact CB-CD 4.43Å; H126-K259 PolarHBondContact CE1-NZ 3.12Å; H126-K259 PolarHBondContact NE2-NZ 3.08Å; A255-K259 PolarHBondContact O-N 3.04Å; V256-K259 WeakPolarHBondContact O-CA 3.43Å; V256-K259 PolarHBondContact O-N 3.47Å; Y257-K259 PolarHBondContact O-N 3.19Å
260K96.4Very high89Confident138 Ų13878.6 Ų78.660%0.642%0.421SS*.  trans-94.8-11.1178.9-69.4179.5-178.9165.40113.8A255 E258A255-K260 HydrophobicContact CB-CB 4.24Å; A255-K260 PolarHBondContact O-N 3.27Å; E258-K260 VanDerWaalsContact C-N 3.26Å; E258-K260 HydrophobicContact CB-CD 4.08Å; E258-K260 HydrophobicContact CB-CG 4.02Å; E258-K260 PolarHBondContact O-N 3.48Å; E258-K260 IonicContact OE1-NZ 2.71Å; E258-K260 WeakPolarHBondContact OE2-CD 3.37Å; E258-K260 WeakPolarHBondContact OE2-CE 3.47Å; E258-K260 IonicContact OE2-NZ 2.66Å; E258-K260 PolarHBondContact OE2-NZ 3.18Å
261M93.9Very high87.1Confident74 Ų7481.6 Ų81.637%0.36542%0.418SS..SBendtrans-80125175.6-68-73.6-66.400109.4L90 H124 A255 V256 P263L90-M261 HydrophobicContact CD1-CB 3.83Å; H124-M261 PolarHBondContact CE1-O 3.45Å; A255-M261 HydrophobicContact CB-CG 4.18Å; A255-M261 HydrophobicContact CB-SD 4.42Å; V256-M261 HydrophobicContact CG2-CG 3.91Å; M261-P263 VanDerWaalsContact O-CD 3.31Å; M261-P263 WeakPolarHBondContact O-CD 3.03Å
262E90Very high85.1Confident174 Ų17483.9 Ų83.981%0.81343%0.429SS*.PPolyproline II helixtrans-63.7124.2179.8-70.6-71.2153.500111.4G264E262-G264 PolarHBondContact O-N 3.21Å
263P87.8Confident83.4Confident21 Ų2180.6 Ų80.614%0.13641%0.411CS..PPolyproline II helixtrans-68.2131.8176.9-27.241000112.4L90 Q122 M261 F265L90-P263 HydrophobicContact CD2-CB 4.14Å; L90-P263 HydrophobicContact CD2-CG 4.04Å; Q122-P263 VanDerWaalsContact O-CG 3.25Å; Q122-P263 WeakPolarHBondContact O-CG 3.35Å; M261-P263 VanDerWaalsContact O-CD 3.31Å; M261-P263 WeakPolarHBondContact O-CD 3.03Å; P263-F265 PolarHBondContact O-N 3.3Å
264G86.1Confident81.1Confident42 Ų4280.9 Ų80.943%0.43342%0.417SS..SBendtrans-71.8-2.6176.800000114.4E262E262-G264 PolarHBondContact O-N 3.21Å
265F88.6Confident78.5Confident41 Ų4177.9 Ų77.918%0.1840%0.401CS..  trans-147.4130.9173.7172.6-96.5000109H76 V81 F83 A87 L119 P263 P267H76-F265 AromaticContact CE1-CE1 3.86Å; H76-F265 AromaticContact CE1-CZ 3.75Å; H76-F265 AromaticContact ND1-CE1 3.91Å; H76-F265 AromaticContact ND1-CZ 3.5Å; V81-F265 HydrophobicContact CG1-CD2 4.03Å; V81-F265 HydrophobicContact CG1-CE2 3.63Å; V81-F265 HydrophobicContact CG1-CZ 4.23Å; V81-F265 HydrophobicContact CG2-CE2 4.47Å; F83-F265 HydrophobicContact CD1-CB 3.95Å; F83-F265 HydrophobicContact CD1-CD1 4.32Å; F83-F265 HydrophobicContact CD1-CD2 4.42Å; F83-F265 AromaticContact CD1-CG 3.99Å; F83-F265 HydrophobicContact CD1-CG 3.99Å; F83-F265 HydrophobicContact CE1-CB 4.08Å; F83-F265 AromaticContact CE1-CD1 3.58Å; F83-F265 HydrophobicContact CE1-CD1 3.58Å; F83-F265 HydrophobicContact CE1-CD2 4.17Å; F83-F265 AromaticContact CE1-CE1 3.97Å; F83-F265 HydrophobicContact CE1-CE1 3.97Å; F83-F265 AromaticContact CE1-CG 3.67Å; F83-F265 HydrophobicContact CE1-CG 3.67Å; F83-F265 HydrophobicContact CE1-CZ 4.42Å; F83-F265 HydrophobicContact CZ-CD1 4.48Å; F83-F265 HydrophobicContact CZ-CE1 4.45Å; A87-F265 HydrophobicContact CB-CB 4.23Å; L119-F265 HydrophobicContact CD1-CD1 3.72Å; L119-F265 HydrophobicContact CD1-CE1 3.62Å; P263-F265 PolarHBondContact O-N 3.3Å; F265-P267 HydrophobicContact CE1-CG 4Å
266V85.1Confident75.6Confident71 Ų7180.6 Ų80.643%0.4342%0.417SS..  trans-124122.7176.2-175.90000108.2
267P80.5Confident72.8Confident7 Ų786.2 Ų86.25%0.04545%0.452CS..PPolyproline II helixtrans-56.4141.9176.8-25.133.8000112.3L119 F265 K269L119-P267 HydrophobicContact CB-CG 4Å; L119-P267 HydrophobicContact CD1-CG 4Å; F265-P267 HydrophobicContact CE1-CG 4Å; P267-K269 PolarHBondContact O-N 3.21Å; P267-K269 VanDerWaalsContact O-N 3.15Å
268N74Confident70Confident126 Ų12687.6 Ų87.667%0.67446%0.46SS*.PPolyproline II helixtrans-63.3118.7179.3-78-39.9000110.7G270 H273N268-G270 PolarHBondContact O-N 3.22Å; N268-H273 PolarHBondContact O-NE2 3.12Å
269K58.2Low67.4Low188 Ų18885.9 Ų85.982%0.81745%0.452SS*.THydrogen-bonded Turntrans-59.4127.5179.3-63-173178.7-174.10111P267P267-K269 PolarHBondContact O-N 3.21Å; P267-K269 VanDerWaalsContact O-N 3.15Å
270G52.1Low64.3Low86 Ų8689.7 Ų89.789%0.88748%0.475SS*.THydrogen-bonded Turntrans99.74.4171.600000116.8N268N268-G270 PolarHBondContact O-N 3.22Å
271R55.6Low61.3Low192 Ų19291 Ų9173%0.72548%0.483SS*.SBendtrans-116.4134.4162.8-76.2-175.7178.3-176.8-1.1108.6H273R271-H273 PolarHBondContact O-CD2 3.27Å; R271-H273 PolarHBondContact O-N 2.9Å; R271-H273 PolarHBondContact O-NE2 3.23Å
272L55.6Low58.6Low67 Ų6794.1 Ų94.135%0.35150%0.497SS..  trans-70.8121.8163.5-74.7164.6000106.1I4 L69 C274 E279I4-L272 HydrophobicContact CD1-CD1 4.02Å; I4-L272 HydrophobicContact CD1-CD2 3.8Å; L69-L272 HydrophobicContact CD2-CD2 3.67Å; L272-C274 VanDerWaalsContact C-N 3.32Å; L272-C274 PolarHBondContact O-N 3.43Å; L272-E279 WeakPolarHBondContact CB-OE1 3.44Å
273H61.1Low55.6Low16 Ų1693.5 Ų93.57%0.07450%0.496CS..  trans-98.851.9-176.7-65.1-76.6000109.9G71 Y75 N268 R271G71-H273 WeakPolarHBondContact CA-O 3.49Å; Y75-H273 HydrophobicContact CD1-CB 3.69Å; Y75-H273 WeakPolarHBondContact CD1-O 3.42Å; Y75-H273 HydrophobicContact CE1-CB 3.47Å; Y75-H273 VanDerWaalsContact CE1-CB 3.47Å; Y75-H273 AromaticContact CE1-CG 3.93Å; Y75-H273 AromaticContact CE1-ND1 3.59Å; Y75-H273 VanDerWaalsContact CG-O 3.23Å; N268-H273 PolarHBondContact O-NE2 3.12Å; R271-H273 PolarHBondContact O-CD2 3.27Å; R271-H273 PolarHBondContact O-N 2.9Å; R271-H273 PolarHBondContact O-NE2 3.23Å
274C50.7Low52.9Low33 Ų3397.9 Ų97.922%0.22352%0.517CS..SBendtrans-114157.2174.152.80000110.5Y75 L272Y75-C274 WeakPolarHBondContact CE2-O 3.36Å; L272-C274 VanDerWaalsContact C-N 3.32Å; L272-C274 PolarHBondContact O-N 3.43Å
275D43.9Very low50.4Low57 Ų57104.7 Ų104.731%0.30554%0.542SS..  trans-51.5133.7177.7-169.6-47.9000110.4T277 F278D275-T277 PolarHBondContact O-N 3.29Å; D275-T277 PolarHBondContact OD1-N 3.05Å; D275-T277 PolarHBondContact OD1-OG1 3.42Å; D275-F278 WeakPolarHBondContact O-CB 3.42Å; D275-F278 PolarHBondContact O-N 3.39Å
276P36.9Very low47.7Very low71 Ų71107.6 Ų107.646%0.46156%0.557SS.*Hα-helixtrans-52.9-18.3177.1-2733.7000115.2F278 E279 L280P276-F278 PolarHBondContact O-N 3.29Å; P276-E279 PolarHBondContact O-N 2.75Å; P276-E279 VanDerWaalsContact O-N 3.08Å; P276-L280 PolarHBondContact O-N 3.2Å
277T39.3Very low45.1Very low118 Ų118109.3 Ų109.372%0.72457%0.572SS**Hα-helixtrans-65-21.5170.139.90000113.8D275D275-T277 PolarHBondContact O-N 3.29Å; D275-T277 PolarHBondContact OD1-N 3.05Å; D275-T277 PolarHBondContact OD1-OG1 3.42Å
278F39.3Very low43Very low140 Ų140117.4 Ų117.461%0.61460%0.602SS**Hα-helixtrans-86.3-21.2167.5-79.1-90.6000113.3V2 D275 P276V2-F278 HydrophobicContact CB-CE1 4.48Å; D275-F278 WeakPolarHBondContact O-CB 3.42Å; D275-F278 PolarHBondContact O-N 3.39Å; P276-F278 PolarHBondContact O-N 3.29Å
279E42.3Very low41.3Very low73 Ų73115 Ų11534%0.34159%0.592SS.*Hα-helixtrans-93.3-6.9-170.9-69.7-161.3137.900116L272 P276L272-E279 WeakPolarHBondContact CB-OE1 3.44Å; P276-E279 PolarHBondContact O-N 2.75Å; P276-E279 VanDerWaalsContact O-N 3.08Å
280L32.8Very low40.7Very low148 Ų148113.3 Ų113.378%0.77559%0.592SS**SBendtrans-96.65.5-168.9-103.9134.6000117.8P276P276-L280 PolarHBondContact O-N 3.2Å
281E33.3Very low40.3Very low165 Ų165116.5 Ų116.577%0.77158%0.583SS**SBendtrans-119.5-16174.9-76.6-165161.400118
282E37.3Very low39.6Very low140 Ų140113.4 Ų113.465%0.65458%0.575SS**SBendtrans-138.128.7-177.1-75.8-162.9149.800117I284E282-I284 PolarHBondContact O-N 3.14Å
283M27.4Very low38.9Very low161 Ų161116 Ų11679%0.79358%0.583SS**  trans-85.519.4159.3-121.2-174.575.100113.4
284I30.8Very low38Very low113 Ų113122.5 Ų122.558%0.57961%0.612SS**SBendtrans-95.5107.4159-51-179.1000106.7E282 E286E282-I284 PolarHBondContact O-N 3.14Å; I284-E286 HydrophobicContact CB-CB 4.38Å; I284-E286 HydrophobicContact CG2-CB 3.63Å; I284-E286 HydrophobicContact CG2-CG 3.52Å; I284-E286 PolarHBondContact O-N 3.14Å
285L33.1Very low37.5Very low185 Ų185128.9 Ų128.997%0.96964%0.635SS**  trans-49.573.4148.8-90.9143.1000109.4
286E31.7Very low37.5Very low103 Ų103135.2 Ų135.248%0.48166%0.655SS.*  trans-115103.3172.5-110.2-168.5-137.700108.5I284 R288I284-E286 HydrophobicContact CB-CB 4.38Å; I284-E286 HydrophobicContact CG2-CB 3.63Å; I284-E286 HydrophobicContact CG2-CG 3.52Å; I284-E286 PolarHBondContact O-N 3.14Å; E286-R288 VanDerWaalsContact C-N 3.26Å; E286-R288 PolarHBondContact O-N 2.76Å; E286-R288 IonicContact OE2-CZ 2.63Å; E286-R288 VanDerWaalsContact OE2-CZ 3.28Å; E286-R288 IonicContact OE2-NE 3.28Å; E286-R288 PolarHBondContact OE2-NE 3.19Å; E286-R288 IonicContact OE2-NH2 3.71Å; E286-R288 PolarHBondContact OE2-NH2 3.16Å
287S31.5Very low38Very low107 Ų107136.1 Ų136.175%0.74866%0.656SS**  trans-38.778.1161.248.10000114.1
288R36.1Very low38.4Very low177 Ų177133.4 Ų133.467%0.66865%0.645SS**  trans-128.585.3169.8-66-169.9-171.2-160.84.5109.3E286E286-R288 VanDerWaalsContact C-N 3.26Å; E286-R288 PolarHBondContact O-N 2.76Å; E286-R288 IonicContact OE2-CZ 2.63Å; E286-R288 VanDerWaalsContact OE2-CZ 3.28Å; E286-R288 IonicContact OE2-NE 3.28Å; E286-R288 PolarHBondContact OE2-NE 3.19Å; E286-R288 IonicContact OE2-NH2 3.71Å; E286-R288 PolarHBondContact OE2-NH2 3.16Å
289P37.9Very low38.8Very low74 Ų74133.3 Ų133.348%0.48164%0.644SS.*  trans-58.2145.2176.623.6-32.9000110.7H291 K292P289-H291 PolarHBondContact O-N 3.01Å; P289-K292 PolarHBondContact O-N 3.27Å; P289-K292 VanDerWaalsContact O-N 3.16Å
290L46.7Very low39Very low153 Ų153134.4 Ų134.480%0.80165%0.653SS**THydrogen-bonded Turntrans-39.2-20.1174.4-76.3111.1000115.2
291H43.1Very low39.9Very low153 Ų153137 Ų13771%0.70865%0.652SS**THydrogen-bonded Turntrans-80.7-9.7-176.2-78.364.6000116.2P289P289-H291 PolarHBondContact O-N 3.01Å
292K39.9Very low40.7Very low128 Ų128132.5 Ų132.556%0.55764%0.639SS**Hα-helixtrans-82-16.6-178.3-76.4-175.7-178.4172.60114.8P289 K295 R296P289-K292 PolarHBondContact O-N 3.27Å; P289-K292 VanDerWaalsContact O-N 3.16Å; K292-K295 PolarHBondContact O-N 3.18Å; K292-R296 PolarHBondContact O-N 3.49Å
293K41.9Very low41.3Very low120 Ų120133.3 Ų133.352%0.52264%0.636SS.*Hα-helixtrans-66.1-41.1175.1-141.4179.6-174.3-175.60111.1E59 K295 R296 L297E59-K293 IonicContact OE2-NZ 3.41Å; E59-K293 PolarHBondContact OE2-NZ 3.03Å; K293-K295 VanDerWaalsContact C-N 3.29Å; K293-K295 PolarHBondContact O-N 3.4Å; K293-R296 PolarHBondContact O-N 3.14Å; K293-L297 PolarHBondContact O-N 3.36Å
294K41.7Very low42.3Very low154 Ų154130.8 Ų130.867%0.6763%0.626SS**Hα-helixtrans-56.4-37.4171.3-87.7-178.1173.6175.50113.3A298K294-A298 VanDerWaalsContact O-CB 3.3Å; K294-A298 WeakPolarHBondContact O-CB 3.4Å; K294-A298 PolarHBondContact O-N 3.41Å
295K40.3Very low43.1Very low166 Ų166131.4 Ų131.472%0.72263%0.63SS**Hα-helixtrans-76.3-29.8180-150.1175.2-172.8176.20113.2K292 K293 K299K292-K295 PolarHBondContact O-N 3.18Å; K293-K295 VanDerWaalsContact C-N 3.29Å; K293-K295 PolarHBondContact O-N 3.4Å; K295-K299 WeakPolarHBondContact O-CB 3.46Å; K295-K299 PolarHBondContact O-N 3.2Å
296R43.9Very low43.7Very low190 Ų190125.8 Ų125.872%0.71761%0.606SS**Hα-helixtrans-72-41.8171.9-91.7173.964.1-174.5-1111.9K292 K293 K299 N300K292-R296 PolarHBondContact O-N 3.49Å; K293-R296 PolarHBondContact O-N 3.14Å; R296-K299 PolarHBondContact O-N 3.23Å; R296-N300 PolarHBondContact O-N 2.7Å
297L47.4Very low44.4Very low91 Ų91128.4 Ų128.448%0.47662%0.616SS.*Hα-helixtrans-68.2-39.6177.6-72.4163.2000112.2K293 K299 N300 R301K293-L297 PolarHBondContact O-N 3.36Å; L297-K299 VanDerWaalsContact C-N 3.33Å; L297-K299 PolarHBondContact O-N 3.34Å; L297-N300 PolarHBondContact O-N 2.8Å; L297-R301 PolarHBondContact O-N 3.22Å
298A48.3Very low45Very low61 Ų61129.9 Ų129.950%0.50462%0.616SS.*Hα-helixtrans-63.7-36.6173.300000112.7K294 S302K294-A298 VanDerWaalsContact O-CB 3.3Å; K294-A298 WeakPolarHBondContact O-CB 3.4Å; K294-A298 PolarHBondContact O-N 3.41Å; A298-S302 PolarHBondContact O-N 3.09Å; A298-S302 PolarHBondContact O-OG 2.87Å
299K47Very low45.3Very low137 Ų137126 Ų12660%0.59662%0.616SS**Hα-helixtrans-75.5-26.2178.6-158.3175.6-173.9-1800113.2K295 R296 L297 S302 R303K295-K299 WeakPolarHBondContact O-CB 3.46Å; K295-K299 PolarHBondContact O-N 3.2Å; R296-K299 PolarHBondContact O-N 3.23Å; L297-K299 VanDerWaalsContact C-N 3.33Å; L297-K299 PolarHBondContact O-N 3.34Å; K299-S302 WeakPolarHBondContact CA-OG 3.28Å; K299-S302 PolarHBondContact O-OG 3.09Å; K299-R303 PolarHBondContact O-N 2.83Å
300N47.2Very low45.4Very low96 Ų96131 Ų13151%0.51363%0.633SS.*Hα-helixtrans-77.6-42172.7-84.35.8000111.8R296 L297 S302 R303 D304R296-N300 PolarHBondContact O-N 2.7Å; L297-N300 PolarHBondContact O-N 2.8Å; N300-S302 VanDerWaalsContact C-N 3.27Å; N300-S302 PolarHBondContact O-N 3.48Å; N300-R303 PolarHBondContact O-N 2.74Å; N300-D304 PolarHBondContact O-N 3.17Å; N300-D304 VanDerWaalsContact O-N 3.14Å
301R51.1Low45.1Very low202 Ų202128.2 Ų128.276%0.76263%0.626SS**Hα-helixtrans-60-35.1172.7-80.3-174.9173.3178.9-0.2113L297 R303 N305L297-R301 PolarHBondContact O-N 3.22Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R301-N305 PolarHBondContact O-N 3.33Å
302S50.1Low45Very low71 Ų71127.5 Ų127.550%0.49763%0.633SS.*Hα-helixtrans-72.8-22174.561.70000114.1A298 K299 N300A298-S302 PolarHBondContact O-N 3.09Å; A298-S302 PolarHBondContact O-OG 2.87Å; K299-S302 WeakPolarHBondContact CA-OG 3.28Å; K299-S302 PolarHBondContact O-OG 3.09Å; N300-S302 VanDerWaalsContact C-N 3.27Å; N300-S302 PolarHBondContact O-N 3.48Å
303R49.7Very low45.1Very low158 Ų158126.3 Ų126.360%0.59664%0.64SS**Hα-helixtrans-83-36.8178.8-88.8179.4166-177.4-5.8112.2K299 N300 R301 S306 K307K299-R303 PolarHBondContact O-N 2.83Å; N300-R303 PolarHBondContact O-N 2.74Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R303-S306 PolarHBondContact O-N 2.91Å; R303-S306 PolarHBondContact O-OG 3.46Å; R303-K307 PolarHBondContact O-N 3.5Å
304D49.4Very low44.7Very low107 Ų107129.8 Ų129.857%0.57266%0.658SS**Hα-helixtrans-68.4-40.4175.7-78-23.7000111.9N300 S306 K307N300-D304 PolarHBondContact O-N 3.17Å; N300-D304 VanDerWaalsContact O-N 3.14Å; D304-S306 PolarHBondContact O-N 3.33Å; D304-S306 VanDerWaalsContact O-N 3.12Å; D304-K307 PolarHBondContact O-N 3.04Å; D304-K307 VanDerWaalsContact O-N 3.12Å
305N46.3Very low44.3Very low126 Ų126128.2 Ų128.267%0.67467%0.667SS**Hα-helixtrans-64.7-18.6174.5-81.87.7000114.2R301 S309R301-N305 PolarHBondContact O-N 3.33Å; N305-S309 PolarHBondContact O-OG 3.33Å
306S46.4Very low44.3Very low67 Ų67127 Ų12747%0.46967%0.673SS.*Hα-helixtrans-88.6-15.2177.2650000114R303 D304R303-S306 PolarHBondContact O-N 2.91Å; R303-S306 PolarHBondContact O-OG 3.46Å; D304-S306 PolarHBondContact O-N 3.33Å; D304-S306 VanDerWaalsContact O-N 3.12Å
307K46.1Very low43.8Very low159 Ų159123.6 Ų123.669%0.69168%0.678SS**Hα-helixtrans-88.1-25.9177.8-79.3-175173.6-177.60113.2R303 D304 S309R303-K307 PolarHBondContact O-N 3.5Å; D304-K307 PolarHBondContact O-N 3.04Å; D304-K307 VanDerWaalsContact O-N 3.12Å; K307-S309 VanDerWaalsContact C-N 3.28Å; K307-S309 PolarHBondContact O-N 2.8Å
308D44.1Very low43.6Very low137 Ų137125.1 Ų125.173%0.73369%0.693SS**THydrogen-bonded Turntrans-80.2-4.8175.7-81.4-21000114.2
309S41.9Very low43.1Very low97 Ų97126 Ų12668%0.67870%0.701SS**THydrogen-bonded Turntrans-100.31.2179.5-46.90000114.8N305 K307N305-S309 PolarHBondContact O-OG 3.33Å; K307-S309 VanDerWaalsContact C-N 3.28Å; K307-S309 PolarHBondContact O-N 2.8Å
310Q40.7Very low42.5Very low177 Ų177127.8 Ų127.883%0.82771%0.711SS**SBendtrans-115.89.6-174.5-88.6-170.5-14.800115.9
311S39.7Very low42.1Very low96 Ų96129.2 Ų129.267%0.67172%0.723SS**SBendtrans-107.610.1-179.357.20000115.7
312V42.6Very low41.5Very low138 Ų138132.8 Ų132.884%0.83674%0.744SS**SBendtrans-127.269.5177.8-165.10000111.7
313S41.1Very low41Very low103 Ų103135.9 Ų135.972%0.7276%0.757SS**  trans-167.4110.6153.256.40000110.8
314Q34.4Very low40.6Very low193 Ų193134.7 Ų134.790%0.90277%0.765SS**  trans13996.3141.5-76.3179.6-1.700112.6
315S32.1Very low40.1Very low121 Ų121136.2 Ų136.285%0.84678%0.776SS**  trans-169.684.3132.659.20000109.8
316V40.2Very low39.7Very low141 Ų141136.8 Ų136.886%0.85578%0.782SS**  trans-126.2118.2157.5179.30000106.5
317S34.9Very low39.3Very low117 Ų117141.2 Ų141.282%0.81880%0.801SS**  trans-162.3153.3160.4-81.90000109.9
318P43Very low38.9Very low123 Ų123140 Ų14080%0.79981%0.809SS**  -110.7171-127.238.3-31.7000114.7
319A38.1Very low38.5Very low80 Ų80140.2 Ų140.266%0.66181%0.814SS**  trans-56.9151.6171.500000113.8
320H34.4Very low38.2Very low174 Ų174143.5 Ų143.581%0.80683%0.825SS**  -179.3137118.9-94.6-47.8000114.3
321T38.8Very low38Very low127 Ų127140.8 Ų140.878%0.77982%0.824SS**  trans60.5133.8146.847.20000118.3
322K37.2Very low37.9Very low276 Ų276144.8 Ų144.8100%1.284%0.838SS**  cis-157.4032.2-132179.3-170.3179.80109.1

Retrieved 322 of 322 residues in 531.7 ms (Link to these results)

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