A0A077YZS4_TRITR Loading...

Proteasome subunit beta type 2

AlphaFold DB , UniProt , Accession A0A077YZS4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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
1M75.1Confident92.2Very high143 Ų14336.5 Ų36.570%0.70418%0.175SC*.  0-26.80-79.3-169.4-86.200114.2N3 G151 Y152M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 2.76Å; M1-G151 WeakPolarHBondContact O-CA 3.48Å; M1-Y152 HydrophobicContact CB-CD2 4.13Å; M1-Y152 HydrophobicContact CB-CE2 3.56Å; M1-Y152 VanDerWaalsContact O-CD2 3.24Å; M1-Y152 WeakPolarHBondContact O-CD2 3.3Å; M1-Y152 PolarHBondContact O-N 3.37Å; M1-Y152 HydrophobicContact SD-CE1 4.36Å
2L86.2Confident92.4Very high64 Ų6445.4 Ų45.434%0.33522%0.217SC..  trans-68.2-22.2-174.9-56.7-179.9000114.9V23 Y152 F189 I191L2-V23 HydrophobicContact CD1-CG1 4.46Å; L2-Y152 HydrophobicContact CD2-CD2 4.16Å; L2-Y152 HydrophobicContact CD2-CE2 3.91Å; L2-F189 WeakPolarHBondContact O-CE1 3.4Å; L2-I191 HydrophobicContact CB-CD1 3.96Å; L2-I191 HydrophobicContact CD1-CD1 3.7Å; L2-I191 HydrophobicContact CD2-CD1 3.43Å; L2-I191 VanDerWaalsContact CD2-CD1 3.43Å; L2-I191 HydrophobicContact CG-CD1 3.85Å
3N88.1Confident92.7Very high32 Ų3242.6 Ų42.617%0.17120%0.203CC..SBendtrans-74.9167.9-175.4-58.9-61.6000113M1 D19 K35 V48 G151M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 2.76Å; N3-D19 WeakPolarHBondContact CA-OD2 3.32Å; N3-D19 PolarHBondContact OD1-OD2 2.88Å; N3-K35 PolarHBondContact OD1-NZ 3.43Å; N3-V48 HydrophobicContact CB-CB 4.43Å; N3-V48 HydrophobicContact CB-CG1 3.66Å; N3-V48 HydrophobicContact CB-CG2 4.49Å; N3-G151 WeakPolarHBondContact O-CA 3.27Å
4Y93.1Very high93Very high1 Ų139.6 Ų39.60%0.00419%0.189CC..  trans-120.7112.3176.4177.2-82.9000109F6 A18 D19 M149 V185 L193 L196Y4-F6 HydrophobicContact CD1-CB 4.46Å; Y4-F6 HydrophobicContact CE1-CB 3.64Å; Y4-F6 HydrophobicContact CE1-CG 4.49Å; Y4-F6 WeakPolarHBondContact OH-CD2 3.27Å; Y4-A18 VanDerWaalsContact O-CA 3.3Å; Y4-A18 WeakPolarHBondContact O-CA 3.46Å; Y4-D19 VanDerWaalsContact N-CG 3.3Å; Y4-D19 PolarHBondContact N-OD1 3.23Å; Y4-D19 PolarHBondContact O-N 3.33Å; Y4-D19 VanDerWaalsContact O-N 3.17Å; Y4-M149 HydrophobicContact CD2-CE 4.12Å; Y4-M149 HydrophobicContact CE1-CE 4.48Å; Y4-M149 HydrophobicContact CE2-CE 3.32Å; Y4-V185 HydrophobicContact CD2-CG1 4.4Å; Y4-V185 HydrophobicContact CD2-CG2 4.18Å; Y4-V185 HydrophobicContact CE2-CG2 3.89Å; Y4-L193 HydrophobicContact CD2-CD1 4.35Å; Y4-L193 HydrophobicContact CG-CD1 4.35Å; Y4-L196 HydrophobicContact CD1-CD1 3.35Å; Y4-L196 HydrophobicContact CE1-CD1 3.45Å; Y4-L196 VanDerWaalsContact CE1-CD1 3.45Å; Y4-L196 HydrophobicContact CE1-CD2 4.13Å; Y4-L196 HydrophobicContact CE1-CG 4.47Å; Y4-L196 HydrophobicContact CG-CD1 4.45Å
5L95.3Very high93.3Very high0 Ų036.9 Ų36.90%018%0.176CC..EExtended strand (participates in β ladder)trans-117.3136.9169.6-55.8-178.1000109.5A18 V46 V48 I122 M149 F150L5-A18 HydrophobicContact CD2-CB 3.63Å; L5-V46 HydrophobicContact CD2-CG2 3.89Å; L5-V48 HydrophobicContact CD1-CG1 4.15Å; L5-V48 HydrophobicContact CD1-CG2 3.95Å; L5-V48 HydrophobicContact CD2-CG1 4.02Å; L5-V48 HydrophobicContact CG-CG1 4.21Å; L5-I122 HydrophobicContact CB-CD1 3.71Å; L5-I122 HydrophobicContact CB-CG1 4.46Å; L5-M149 VanDerWaalsContact O-CA 3.28Å; L5-M149 WeakPolarHBondContact O-CA 3.42Å; L5-F150 HydrophobicContact CB-CB 4.1Å; L5-F150 HydrophobicContact CD1-CB 4.28Å; L5-F150 HydrophobicContact CD1-CD1 4.07Å; L5-F150 HydrophobicContact CG-CD1 4.47Å; L5-F150 PolarHBondContact N-O 3.26Å; L5-F150 VanDerWaalsContact N-O 3.08Å; L5-F150 PolarHBondContact O-N 2.77Å
6F96.6Very high93.5Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-135.9137-177.6178.5-79000110.1Y4 M8 L16 A17 M149 L161 V178Y4-F6 HydrophobicContact CD1-CB 4.46Å; Y4-F6 HydrophobicContact CE1-CB 3.64Å; Y4-F6 HydrophobicContact CE1-CG 4.49Å; Y4-F6 WeakPolarHBondContact OH-CD2 3.27Å; F6-M8 HydrophobicContact CE1-CB 3.47Å; F6-M8 VanDerWaalsContact CE1-CB 3.47Å; F6-M8 HydrophobicContact CZ-CB 3.73Å; F6-M8 HydrophobicContact CZ-SD 4.23Å; F6-L16 CarbonylContact O-C 3.51Å; F6-L16 WeakPolarHBondContact O-CA 3.38Å; F6-A17 HydrophobicContact CB-CB 4.16Å; F6-A17 HydrophobicContact CD1-CB 4.36Å; F6-A17 PolarHBondContact N-O 3.31Å; F6-A17 PolarHBondContact O-N 2.96Å; F6-M149 HydrophobicContact CB-CE 4.48Å; F6-M149 HydrophobicContact CD2-CE 3.81Å; F6-M149 HydrophobicContact CD2-CG 3.74Å; F6-M149 HydrophobicContact CD2-SD 3.62Å; F6-M149 HydrophobicContact CE2-CG 4.36Å; F6-M149 HydrophobicContact CE2-SD 4.04Å; F6-M149 HydrophobicContact CG-CG 4.44Å; F6-L161 HydrophobicContact CE2-CD1 3.82Å; F6-L161 HydrophobicContact CE2-CD2 3.85Å; F6-L161 HydrophobicContact CE2-CG 4.4Å; F6-L161 HydrophobicContact CZ-CD2 4.05Å; F6-V178 HydrophobicContact CD1-CG2 4.02Å; F6-V178 HydrophobicContact CE1-CG2 3.49Å; F6-V178 VanDerWaalsContact CE1-CG2 3.49Å; F6-V178 HydrophobicContact CZ-CG2 3.81Å
7G97.1Very high93.7Very high0 Ų032.6 Ų32.60%016%0.155CC..EExtended strand (participates in β ladder)trans-139.9136.4169.400000110.4I15 Y147 V148G7-I15 CarbonylContact C-O 3.56Å; G7-I15 WeakPolarHBondContact CA-O 3.49Å; G7-Y147 CarbonylContact O-C 3.51Å; G7-Y147 WeakPolarHBondContact O-CA 3.5Å; G7-V148 PolarHBondContact N-O 2.79Å; G7-V148 PolarHBondContact O-N 3.33Å; G7-V148 VanDerWaalsContact O-O 3.12Å
8M97Very high93.8Very high1 Ų130.8 Ų30.81%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-142.3131.5176.2-179.5179.275.700109.5F6 T10 V14 I15 E146 Y165 A174 I177F6-M8 HydrophobicContact CE1-CB 3.47Å; F6-M8 VanDerWaalsContact CE1-CB 3.47Å; F6-M8 HydrophobicContact CZ-CB 3.73Å; F6-M8 HydrophobicContact CZ-SD 4.23Å; M8-T10 HydrophobicContact CE-CG2 4.5Å; M8-V14 CarbonylContact O-C 3.47Å; M8-V14 WeakPolarHBondContact O-CA 3.49Å; M8-I15 PolarHBondContact N-O 2.87Å; M8-I15 PolarHBondContact O-N 3.33Å; M8-E146 CarbonylContact C-O 3.57Å; M8-E146 WeakPolarHBondContact CA-O 3.28Å; M8-Y165 HydrophobicContact CG-CD2 4.05Å; M8-Y165 HydrophobicContact CG-CE2 3.9Å; M8-Y165 HydrophobicContact SD-CD2 3.79Å; M8-Y165 HydrophobicContact SD-CE2 4.15Å; M8-A174 HydrophobicContact CE-CB 3.5Å; M8-A174 VanDerWaalsContact CE-CB 3.5Å; M8-I177 HydrophobicContact SD-CG2 4.04Å
9K96.6Very high93.9Very high50 Ų5029.3 Ų29.322%0.21714%0.14CC..EExtended strand (participates in β ladder)trans-99.2142.2169.360.4170.4-175.1175.70109.8V14 P131 V133 N145 E146 Y165K9-V14 HydrophobicContact CB-CG2 4.12Å; K9-P131 HydrophobicContact CB-CB 4.09Å; K9-P131 HydrophobicContact CB-CG 4.42Å; K9-V133 HydrophobicContact CB-CG1 4.18Å; K9-V133 HydrophobicContact CD-CG1 4.27Å; K9-V133 HydrophobicContact CG-CG1 3.92Å; K9-N145 WeakPolarHBondContact CE-O 3.12Å; K9-E146 VanDerWaalsContact CE-CA 3.44Å; K9-E146 WeakPolarHBondContact CG-O 3.33Å; K9-E146 PolarHBondContact N-O 3.39Å; K9-E146 IonicContact NZ-OE1 3.04Å; K9-Y165 WeakPolarHBondContact O-CE2 3.42Å; K9-Y165 PolarHBondContact O-OH 3.28Å; K9-Y165 VanDerWaalsContact O-OH 3.09Å
10T95.5Very high93.9Very high7 Ų728.3 Ų28.34%0.04314%0.135CC..  trans-105.6-163.4162.462.60000108.1M8 E12 F13 P131 E167 A169M8-T10 HydrophobicContact CE-CG2 4.5Å; T10-E12 PolarHBondContact OG1-N 3.1Å; T10-F13 HydrophobicContact CG2-CD2 4.2Å; T10-F13 HydrophobicContact CG2-CE1 4.17Å; T10-F13 HydrophobicContact CG2-CE2 3.56Å; T10-F13 HydrophobicContact CG2-CZ 3.53Å; T10-F13 PolarHBondContact N-O 2.94Å; T10-F13 VanDerWaalsContact OG1-CD1 3.24Å; T10-F13 WeakPolarHBondContact OG1-CD1 3.32Å; T10-F13 WeakPolarHBondContact OG1-CD2 3.07Å; T10-F13 VanDerWaalsContact OG1-CE1 3.3Å; T10-F13 WeakPolarHBondContact OG1-CE1 3.28Å; T10-F13 WeakPolarHBondContact OG1-CG 3.28Å; T10-F13 WeakPolarHBondContact OG1-CZ 3.49Å; T10-F13 PolarHBondContact OG1-N 3.3Å; T10-F13 VanDerWaalsContact OG1-N 3.14Å; T10-F13 PolarHBondContact OG1-O 3.41Å; T10-F13 VanDerWaalsContact OG1-O 3.11Å; T10-P131 WeakPolarHBondContact O-CG 3.24Å; T10-E167 CarbonylContact C-O 3.53Å; T10-E167 WeakPolarHBondContact CA-O 3.5Å; T10-E167 WeakPolarHBondContact CB-O 3.2Å; T10-A169 HydrophobicContact CG2-CB 4.25Å
11K93.9Very high93.8Very high103 Ų10327 Ų2745%0.44813%0.129SC..SBendtrans-73.1-29.5170.4-69.3-174.8-175176.50113.3P131 E167 E168K11-P131 VanDerWaalsContact O-CD 3.3Å; K11-P131 WeakPolarHBondContact O-CD 3.32Å; K11-P131 WeakPolarHBondContact O-CG 3.38Å; K11-E167 WeakPolarHBondContact CE-OE2 3.19Å; K11-E167 HydrophobicContact CG-CB 4.15Å; K11-E167 PolarHBondContact N-O 2.92Å; K11-E167 IonicContact NZ-OE2 3.61Å; K11-E168 HydrophobicContact CD-CG 3.87Å; K11-E168 IonicContact NZ-OE1 3.85Å; K11-E168 PolarHBondContact NZ-OE1 3.46Å
12E94.2Very high94.5Very high144 Ų14421.4 Ų21.467%0.67311%0.106SC*.SBendtrans-111.3-21.5-169-64.7-171.1163.900114T10 Y126T10-E12 PolarHBondContact OG1-N 3.1Å; E12-Y126 WeakPolarHBondContact O-CE2 3.33Å
13F96.3Very high94.6Very high9 Ų920.8 Ų20.84%0.03911%0.105CC..  trans-151.9169.5-173.759.7-96000112.4T10 I15 A169 V171 A174 L200 I201 N202T10-F13 HydrophobicContact CG2-CD2 4.2Å; T10-F13 HydrophobicContact CG2-CE1 4.17Å; T10-F13 HydrophobicContact CG2-CE2 3.56Å; T10-F13 HydrophobicContact CG2-CZ 3.53Å; T10-F13 PolarHBondContact N-O 2.94Å; T10-F13 VanDerWaalsContact OG1-CD1 3.24Å; T10-F13 WeakPolarHBondContact OG1-CD1 3.32Å; T10-F13 WeakPolarHBondContact OG1-CD2 3.07Å; T10-F13 VanDerWaalsContact OG1-CE1 3.3Å; T10-F13 WeakPolarHBondContact OG1-CE1 3.28Å; T10-F13 WeakPolarHBondContact OG1-CG 3.28Å; T10-F13 WeakPolarHBondContact OG1-CZ 3.49Å; T10-F13 PolarHBondContact OG1-N 3.3Å; T10-F13 VanDerWaalsContact OG1-N 3.14Å; T10-F13 PolarHBondContact OG1-O 3.41Å; T10-F13 VanDerWaalsContact OG1-O 3.11Å; F13-I15 HydrophobicContact CD2-CD1 4.42Å; F13-I15 HydrophobicContact CD2-CG1 3.89Å; F13-I15 HydrophobicContact CE2-CD1 3.86Å; F13-I15 HydrophobicContact CE2-CG1 3.81Å; F13-A169 WeakPolarHBondContact CE1-O 3.45Å; F13-A169 VanDerWaalsContact CZ-O 3.29Å; F13-A169 WeakPolarHBondContact CZ-O 3.2Å; F13-V171 HydrophobicContact CD1-CG2 4.02Å; F13-V171 HydrophobicContact CE1-CG2 3.71Å; F13-V171 HydrophobicContact CE2-CG2 4.44Å; F13-V171 HydrophobicContact CZ-CB 4.42Å; F13-V171 HydrophobicContact CZ-CG2 3.94Å; F13-A174 HydrophobicContact CE2-CB 3.76Å; F13-A174 HydrophobicContact CZ-CB 3.85Å; F13-L200 HydrophobicContact CB-CD1 3.8Å; F13-L200 HydrophobicContact CD2-CD1 3.38Å; F13-L200 HydrophobicContact CE2-CD1 4.09Å; F13-L200 HydrophobicContact CG-CD1 3.69Å; F13-I201 CarbonylContact C-O 3.6Å; F13-I201 WeakPolarHBondContact CA-O 3.28Å; F13-I201 WeakPolarHBondContact CB-O 3.42Å; F13-N202 HydrophobicContact CB-CB 4.03Å
14V97.3Very high94.5Very high0 Ų025.3 Ų25.30%013%0.125CC..EExtended strand (participates in β ladder)trans-120.4136.7170.9-177.90000108.2M8 K9 L16 G125 P131 V133 I201M8-V14 CarbonylContact O-C 3.47Å; M8-V14 WeakPolarHBondContact O-CA 3.49Å; K9-V14 HydrophobicContact CB-CG2 4.12Å; V14-L16 HydrophobicContact CG1-CD2 4.2Å; V14-L16 HydrophobicContact CG1-CG 4.39Å; V14-G125 WeakPolarHBondContact CG2-O 3.43Å; V14-P131 HydrophobicContact CG2-CB 3.41Å; V14-P131 VanDerWaalsContact CG2-CB 3.41Å; V14-V133 HydrophobicContact CG1-CB 4.36Å; V14-V133 HydrophobicContact CG1-CG2 4.43Å; V14-I201 HydrophobicContact CB-CB 4.23Å; V14-I201 PolarHBondContact N-O 3.26Å; V14-I201 PolarHBondContact O-N 3.06Å
15I97Very high94.1Very high0 Ų033.3 Ų33.30%016%0.162CC..EExtended strand (participates in β ladder)trans-107.3129167.4-64.8-172.8000108.5G7 M8 F13 A174 I175 V178 V198 Q199 L200G7-I15 CarbonylContact C-O 3.56Å; G7-I15 WeakPolarHBondContact CA-O 3.49Å; M8-I15 PolarHBondContact N-O 2.87Å; M8-I15 PolarHBondContact O-N 3.33Å; F13-I15 HydrophobicContact CD2-CD1 4.42Å; F13-I15 HydrophobicContact CD2-CG1 3.89Å; F13-I15 HydrophobicContact CE2-CD1 3.86Å; F13-I15 HydrophobicContact CE2-CG1 3.81Å; I15-A174 HydrophobicContact CD1-CB 3.44Å; I15-A174 VanDerWaalsContact CD1-CB 3.44Å; I15-I175 HydrophobicContact CD1-CG1 4.42Å; I15-V178 HydrophobicContact CG2-CG2 4.14Å; I15-V198 HydrophobicContact CG2-CG1 3.64Å; I15-Q199 WeakPolarHBondContact CA-O 3.24Å; I15-L200 HydrophobicContact CG1-CD1 3.95Å
16L97.4Very high93.6Very high0 Ų039.5 Ų39.50%020%0.2CC..EExtended strand (participates in β ladder)trans-113.2141167.2-63.7-177.1000108.9F6 V14 F36 V46 I122 V133 V198 Q199 I201F6-L16 CarbonylContact O-C 3.51Å; F6-L16 WeakPolarHBondContact O-CA 3.38Å; V14-L16 HydrophobicContact CG1-CD2 4.2Å; V14-L16 HydrophobicContact CG1-CG 4.39Å; L16-F36 HydrophobicContact CB-CE1 3.78Å; L16-V46 HydrophobicContact CB-CG1 4.44Å; L16-V46 HydrophobicContact CD1-CG1 4.37Å; L16-V46 HydrophobicContact CD2-CG1 4.47Å; L16-I122 HydrophobicContact CD2-CG2 3.7Å; L16-V133 HydrophobicContact CD2-CG2 4.36Å; L16-V198 CarbonylContact O-C 3.54Å; L16-V198 WeakPolarHBondContact O-CA 3.3Å; L16-Q199 PolarHBondContact N-O 3.09Å; L16-Q199 PolarHBondContact O-N 3.11Å; L16-I201 HydrophobicContact CD1-CD1 3.85Å; L16-I201 HydrophobicContact CG-CD1 4.2Å
17A96.7Very high93.2Very high0 Ų048.6 Ų48.60%023%0.234CC..EExtended strand (participates in β ladder)trans-142.6143.8175.700000111.5F6 V178 L196 K197 V198F6-A17 HydrophobicContact CB-CB 4.16Å; F6-A17 HydrophobicContact CD1-CB 4.36Å; F6-A17 PolarHBondContact N-O 3.31Å; F6-A17 PolarHBondContact O-N 2.96Å; A17-V178 HydrophobicContact CB-CG1 4.25Å; A17-L196 HydrophobicContact CB-CD1 4.17Å; A17-L196 HydrophobicContact CB-CD2 3.79Å; A17-L196 HydrophobicContact CB-CG 3.9Å; A17-K197 CarbonylContact C-O 2.95Å; A17-K197 VanDerWaalsContact CA-O 3.22Å; A17-K197 WeakPolarHBondContact CA-O 3.12Å; A17-V198 HydrophobicContact CB-CG2 4.07Å
18A95.8Very high92.7Very high1 Ų151.4 Ų51.41%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-144151.8175.500000112.6Y4 L5 K35 F36 V46 L196 K197Y4-A18 VanDerWaalsContact O-CA 3.3Å; Y4-A18 WeakPolarHBondContact O-CA 3.46Å; L5-A18 HydrophobicContact CD2-CB 3.63Å; A18-K35 HydrophobicContact CB-CB 4.17Å; A18-K35 HydrophobicContact CB-CD 4.36Å; A18-F36 HydrophobicContact CB-CE2 3.96Å; A18-F36 HydrophobicContact CB-CZ 4.3Å; A18-V46 HydrophobicContact CB-CG2 3.42Å; A18-V46 VanDerWaalsContact CB-CG2 3.42Å; A18-L196 VanDerWaalsContact C-CD1 3.42Å; A18-L196 WeakPolarHBondContact O-CD1 3.29Å; A18-K197 PolarHBondContact N-O 3.09Å; A18-K197 PolarHBondContact O-N 3.05Å
19D94.3Very high92.4Very high1 Ų156.4 Ų56.41%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-70.5145.2172.961.2-41.1000112N3 Y4 I21 K35 L193N3-D19 WeakPolarHBondContact CA-OD2 3.32Å; N3-D19 PolarHBondContact OD1-OD2 2.88Å; Y4-D19 VanDerWaalsContact N-CG 3.3Å; Y4-D19 PolarHBondContact N-OD1 3.23Å; Y4-D19 PolarHBondContact O-N 3.33Å; Y4-D19 VanDerWaalsContact O-N 3.17Å; D19-I21 VanDerWaalsContact C-N 3.34Å; D19-I21 HydrophobicContact CB-CG1 4.26Å; D19-I21 PolarHBondContact O-N 2.72Å; D19-I21 WeakPolarHBondContact OD2-CG1 3.3Å; D19-K35 WeakPolarHBondContact O-CD 3.48Å; D19-K35 WeakPolarHBondContact O-CE 3.24Å; D19-K35 PolarHBondContact O-NZ 3.23Å; D19-K35 IonicContact OD1-NZ 2.98Å; D19-K35 PolarHBondContact OD1-NZ 3Å; D19-K35 IonicContact OD2-NZ 3.59Å; D19-K35 PolarHBondContact OD2-NZ 3.26Å; D19-L193 HydrophobicContact CB-CB 4.15Å; D19-L193 HydrophobicContact CB-CD2 4.42Å
20T93.7Very high92.2Very high9 Ų956.1 Ų56.16%0.05528%0.279CS..  trans-92.610.9-176.363.20000114.1R31 E32 D33 E195 K197T20-R31 WeakPolarHBondContact CB-O 3.33Å; T20-R31 CarbonylContact O-C 3.57Å; T20-R31 WeakPolarHBondContact O-CA 3.48Å; T20-R31 VanDerWaalsContact O-O 3.13Å; T20-R31 PolarHBondContact OG1-O 2.72Å; T20-E32 PolarHBondContact O-N 2.87Å; T20-D33 WeakPolarHBondContact CA-O 3.38Å; T20-D33 WeakPolarHBondContact O-CB 3.38Å; T20-D33 PolarHBondContact O-N 3.48Å; T20-E195 HydrophobicContact CG2-CB 4.32Å; T20-E195 PolarHBondContact N-O 3.2Å; T20-E195 VanDerWaalsContact N-O 3.09Å; T20-E195 PolarHBondContact OG1-N 3.36Å; T20-E195 PolarHBondContact OG1-O 2.99Å; T20-K197 HydrophobicContact CG2-CB 4.01Å
21I92Very high91.9Very high1 Ų162.7 Ų62.71%0.00530%0.303CS..  trans-89.9137.9-17857.7154.6000112.6D19 V23 S30 K35 I191 L193D19-I21 VanDerWaalsContact C-N 3.34Å; D19-I21 HydrophobicContact CB-CG1 4.26Å; D19-I21 PolarHBondContact O-N 2.72Å; D19-I21 WeakPolarHBondContact OD2-CG1 3.3Å; I21-V23 HydrophobicContact CB-CG2 4.45Å; I21-V23 HydrophobicContact CD1-CG2 3.78Å; I21-S30 CarbonylContact C-O 3.59Å; I21-S30 WeakPolarHBondContact CA-O 3.22Å; I21-K35 WeakPolarHBondContact O-CE 3.47Å; I21-K35 PolarHBondContact O-NZ 3.47Å; I21-I191 HydrophobicContact CD1-CG2 4.16Å; I21-L193 HydrophobicContact CD1-CD2 3.79Å; I21-L193 HydrophobicContact CG1-CD2 4.43Å; I21-L193 WeakPolarHBondContact CG2-O 3.39Å
22A90Very high91.8Very high27 Ų2766.2 Ų66.222%0.22332%0.321CS..EExtended strand (participates in β ladder)trans-111.5114.516300000108.4I29 S30 D33A22-I29 PolarHBondContact O-N 3.48Å; A22-S30 PolarHBondContact N-O 3.3Å; A22-S30 PolarHBondContact O-N 3.43Å; A22-D33 HydrophobicContact CB-CB 3.93Å
23V88Confident91.6Very high50 Ų5062.1 Ų62.130%0.30330%0.304SS..EExtended strand (participates in β ladder)trans-113.1128.2-178.2174.70000109.6L2 I21 Q25 W27L2-V23 HydrophobicContact CD1-CG1 4.46Å; I21-V23 HydrophobicContact CB-CG2 4.45Å; I21-V23 HydrophobicContact CD1-CG2 3.78Å; V23-Q25 WeakPolarHBondContact CG1-O 3.41Å; V23-W27 WeakPolarHBondContact CA-O 3.4Å
24Q86.9Confident91.5Very high128 Ų12865.3 Ų65.360%0.59832%0.321SS*.EExtended strand (participates in β ladder)trans-118.2117.6168.1-171.9172.52.400108.8V26 W27 I29Q24-V26 PolarHBondContact O-N 3Å; Q24-V26 VanDerWaalsContact O-N 3.16Å; Q24-W27 PolarHBondContact N-O 3.43Å; Q24-W27 PolarHBondContact O-N 2.84Å; Q24-I29 HydrophobicContact CB-CD1 3.34Å; Q24-I29 HydrophobicContact CB-CG1 4.05Å; Q24-I29 HydrophobicContact CG-CD1 4.3Å
25Q84.2Confident91.3Very high168 Ų16865.8 Ų65.879%0.78532%0.324SS*.THydrogen-bonded Turntrans56.4-115.9-173.6-56.7-65.4-22.600110.9V23V23-Q25 WeakPolarHBondContact CG1-O 3.41Å
26V85.5Confident91.3Very high130 Ų13066.1 Ų66.179%0.78833%0.325SS*.THydrogen-bonded Turntrans-98.9-1.6178.4-61.70000113Q24Q24-V26 PolarHBondContact O-N 3Å; Q24-V26 VanDerWaalsContact O-N 3.16Å
27W87.4Confident91.1Very high191 Ų19167.1 Ų67.172%0.72333%0.33SS*.EExtended strand (participates in β ladder)trans-99.5128.1-175.1-56.498.7000110.5V23 Q24 I29V23-W27 WeakPolarHBondContact CA-O 3.4Å; Q24-W27 PolarHBondContact N-O 3.43Å; Q24-W27 PolarHBondContact O-N 2.84Å; W27-I29 PolarHBondContact O-N 2.89Å
28N87.3Confident90.8Very high59 Ų5971.6 Ų71.632%0.31636%0.358SS..EExtended strand (participates in β ladder)trans-82106.2164.3-173.9-26.8000107.7S30N28-S30 VanDerWaalsContact OD1-C 3.29Å; N28-S30 PolarHBondContact OD1-N 2.94Å; N28-S30 PolarHBondContact OD1-O 3.29Å
29I91.1Very high90.5Very high107 Ų10771.7 Ų71.755%0.54936%0.359SS..EExtended strand (participates in β ladder)trans-76.2-46.5-176.8-65.7-178.4000110.4A22 Q24 W27A22-I29 PolarHBondContact O-N 3.48Å; Q24-I29 HydrophobicContact CB-CD1 3.34Å; Q24-I29 HydrophobicContact CB-CG1 4.05Å; Q24-I29 HydrophobicContact CG-CD1 4.3Å; W27-I29 PolarHBondContact O-N 2.89Å
30S90.8Very high90.2Very high43 Ų4372.5 Ų72.530%0.30136%0.364SS..EExtended strand (participates in β ladder)trans-140.9140.2-177.4-178.20000110I21 A22 N28 E32I21-S30 CarbonylContact C-O 3.59Å; I21-S30 WeakPolarHBondContact CA-O 3.22Å; A22-S30 PolarHBondContact N-O 3.3Å; A22-S30 PolarHBondContact O-N 3.43Å; N28-S30 VanDerWaalsContact OD1-C 3.29Å; N28-S30 PolarHBondContact OD1-N 2.94Å; N28-S30 PolarHBondContact OD1-O 3.29Å; S30-E32 PolarHBondContact OG-N 3.22Å
31R90.4Very high89.9Confident146 Ų14675.6 Ų75.655%0.55139%0.386SS*.SBendtrans-103.34.4172.6-66.1-178.7167.9-133.3-13.9112.6T20 D192T20-R31 WeakPolarHBondContact CB-O 3.33Å; T20-R31 CarbonylContact O-C 3.57Å; T20-R31 WeakPolarHBondContact O-CA 3.48Å; T20-R31 VanDerWaalsContact O-O 3.13Å; T20-R31 PolarHBondContact OG1-O 2.72Å; R31-D192 IonicContact CZ-OD2 3.85Å; R31-D192 IonicContact NH1-OD2 3.89Å; R31-D192 IonicContact NH2-OD2 2.81Å; R31-D192 PolarHBondContact NH2-OD2 3.11Å
32E90.9Very high89.8Confident177 Ų17779.4 Ų79.483%0.82740%0.402SS*.  trans-120.922.6-176-60.9-179.9-177.900111.5T20 S30T20-E32 PolarHBondContact O-N 2.87Å; S30-E32 PolarHBondContact OG-N 3.22Å
33D91.4Very high90Very high57 Ų5778.3 Ų78.331%0.30539%0.393SS..  trans-67.8132.3-179.6-173.544.3000111.4T20 A22 K35T20-D33 WeakPolarHBondContact CA-O 3.38Å; T20-D33 WeakPolarHBondContact O-CB 3.38Å; T20-D33 PolarHBondContact O-N 3.48Å; A22-D33 HydrophobicContact CB-CB 3.93Å; D33-K35 WeakPolarHBondContact OD2-CE 3.42Å
34N92.7Very high90.4Very high76 Ų7675.9 Ų75.941%0.40638%0.378SS..  trans-10998.1-176.7-178.729.7000111.1F36 K197N34-F36 PolarHBondContact O-N 2.98Å; N34-F36 WeakPolarHBondContact OD1-CB 3.43Å; N34-F36 PolarHBondContact OD1-N 2.87Å; N34-K197 VanDerWaalsContact CG-NZ 3.25Å; N34-K197 PolarHBondContact ND2-NZ 2.82Å; N34-K197 PolarHBondContact OD1-NZ 2.94Å
35K94.4Very high90.8Very high11 Ų1169.8 Ų69.85%0.04835%0.35CS..  trans-81.18.5-178.2-65.8170.4-178.5149.60114.8N3 A18 D19 I21 D33 F37 V46 G47 V48N3-K35 PolarHBondContact OD1-NZ 3.43Å; A18-K35 HydrophobicContact CB-CB 4.17Å; A18-K35 HydrophobicContact CB-CD 4.36Å; D19-K35 WeakPolarHBondContact O-CD 3.48Å; D19-K35 WeakPolarHBondContact O-CE 3.24Å; D19-K35 PolarHBondContact O-NZ 3.23Å; D19-K35 IonicContact OD1-NZ 2.98Å; D19-K35 PolarHBondContact OD1-NZ 3Å; D19-K35 IonicContact OD2-NZ 3.59Å; D19-K35 PolarHBondContact OD2-NZ 3.26Å; I21-K35 WeakPolarHBondContact O-CE 3.47Å; I21-K35 PolarHBondContact O-NZ 3.47Å; D33-K35 WeakPolarHBondContact OD2-CE 3.42Å; K35-F37 WeakPolarHBondContact O-CD2 3.42Å; K35-F37 WeakPolarHBondContact O-CE2 3.43Å; K35-V46 HydrophobicContact CB-CG2 4.17Å; K35-V46 WeakPolarHBondContact O-CA 3.36Å; K35-V46 WeakPolarHBondContact O-CG2 3.4Å; K35-G47 PolarHBondContact O-N 3.14Å; K35-G47 VanDerWaalsContact O-N 3.14Å; K35-V48 HydrophobicContact CD-CG1 3.78Å
36F95.4Very high91.4Very high7 Ų761.8 Ų61.83%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-97.6131.2-177.2-71.6-91.4000112L16 A18 N34 V46 K197 Q199L16-F36 HydrophobicContact CB-CE1 3.78Å; A18-F36 HydrophobicContact CB-CE2 3.96Å; A18-F36 HydrophobicContact CB-CZ 4.3Å; N34-F36 PolarHBondContact O-N 2.98Å; N34-F36 WeakPolarHBondContact OD1-CB 3.43Å; N34-F36 PolarHBondContact OD1-N 2.87Å; F36-V46 HydrophobicContact CD1-CB 3.94Å; F36-V46 HydrophobicContact CD1-CG2 3.92Å; F36-V46 HydrophobicContact CD2-CG2 4.22Å; F36-V46 HydrophobicContact CE1-CB 4Å; F36-V46 HydrophobicContact CE1-CG2 3.88Å; F36-V46 HydrophobicContact CE2-CG2 4.15Å; F36-V46 HydrophobicContact CG-CG2 4.12Å; F36-V46 HydrophobicContact CZ-CG2 4.02Å; F36-K197 HydrophobicContact CD2-CD 3.83Å; F36-K197 HydrophobicContact CD2-CG 4.09Å; F36-K197 HydrophobicContact CE2-CB 3.86Å; F36-K197 HydrophobicContact CE2-CD 3.96Å; F36-K197 HydrophobicContact CE2-CG 3.68Å; F36-K197 WeakPolarHBondContact CZ-O 3.49Å; F36-Q199 HydrophobicContact CD1-CB 4.32Å; F36-Q199 HydrophobicContact CD1-CG 3.75Å; F36-Q199 HydrophobicContact CE1-CB 3.83Å; F36-Q199 HydrophobicContact CE1-CG 3.6Å; F36-Q199 HydrophobicContact CG-CG 4.32Å; F36-Q199 HydrophobicContact CZ-CB 4.43Å; F36-Q199 HydrophobicContact CZ-CG 4.08Å
37F94Very high91.8Very high21 Ų2155.7 Ų55.79%0.09228%0.275CS..EExtended strand (participates in β ladder)trans-119.4100.1177.6-58.7-86.8000108.6K35 I39 M45 M54K35-F37 WeakPolarHBondContact O-CD2 3.42Å; K35-F37 WeakPolarHBondContact O-CE2 3.43Å; F37-I39 HydrophobicContact CB-CD1 4.33Å; F37-I39 WeakPolarHBondContact O-CG1 3.07Å; F37-I39 PolarHBondContact O-N 3.2Å; F37-M45 HydrophobicContact CB-CB 4.37Å; F37-M45 HydrophobicContact CB-CE 4.18Å; F37-M45 HydrophobicContact CD2-CE 4.35Å; F37-M45 HydrophobicContact CG-CE 4.36Å; F37-M45 PolarHBondContact N-O 2.87Å; F37-M45 PolarHBondContact O-N 2.68Å; F37-M54 HydrophobicContact CD2-CE 3.5Å; F37-M54 HydrophobicContact CE2-CE 3.38Å; F37-M54 HydrophobicContact CE2-CG 3.69Å; F37-M54 HydrophobicContact CE2-SD 4.43Å; F37-M54 HydrophobicContact CG-CE 4.45Å; F37-M54 HydrophobicContact CZ-CE 4.23Å; F37-M54 HydrophobicContact CZ-CG 3.96Å
38P91.1Very high92.1Very high93 Ų9347 Ų4760%0.60424%0.243SC*.EExtended strand (participates in β ladder)trans-67.2120.817527.6-32.5000109.2
39I89.6Confident92.3Very high4 Ų445.7 Ų45.72%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-95.2-45.8-175.7-56.7-54.9000110.7F37 T43 M45 V61 A62 M65 V99F37-I39 HydrophobicContact CB-CD1 4.33Å; F37-I39 WeakPolarHBondContact O-CG1 3.07Å; F37-I39 PolarHBondContact O-N 3.2Å; I39-T43 HydrophobicContact CB-CG2 4.31Å; I39-T43 WeakPolarHBondContact CB-O 3.44Å; I39-T43 PolarHBondContact N-O 3.12Å; I39-M45 HydrophobicContact CD1-CB 3.97Å; I39-M45 HydrophobicContact CD1-CE 4.3Å; I39-M45 HydrophobicContact CG1-CB 3.83Å; I39-V61 HydrophobicContact CD1-CG1 4.17Å; I39-A62 HydrophobicContact CD1-CB 3.83Å; I39-M65 HydrophobicContact CG2-CB 3.55Å; I39-M65 HydrophobicContact CG2-CG 3.28Å; I39-V99 HydrophobicContact CG2-CG1 3.96Å; I39-V99 HydrophobicContact CG2-CG2 4.35Å
40T86.7Confident92Very high17 Ų1746.5 Ų46.510%0.10425%0.249CC..EExtended strand (participates in β ladder)trans-150.7170.7-178.4-480000108.8K42 T43 P93T40-K42 PolarHBondContact O-N 3.06Å; T40-T43 PolarHBondContact N-O 3.26Å; T40-T43 PolarHBondContact O-N 2.95Å; T40-P93 HydrophobicContact CG2-CB 3.47Å; T40-P93 VanDerWaalsContact CG2-CB 3.47Å
41S87.4Confident91.3Very high74 Ų7448.3 Ų48.352%0.51728%0.275SS..THydrogen-bonded Turntrans-52.7-27.1178.556.50000114.7G205 V206S41-G205 CarbonylContact O-C 3.6Å; S41-G205 WeakPolarHBondContact O-CA 3.49Å; S41-V206 PolarHBondContact O-N 2.81Å
42K91.5Very high91.2Very high81 Ų8142.9 Ų42.935%0.35226%0.264SS..THydrogen-bonded Turntrans-124.412.9-178.7-54.3-171.2-175.7-164.50114.4T40 G125 Y126 I201 A203T40-K42 PolarHBondContact O-N 3.06Å; K42-G125 CarbonylContact O-C 3.57Å; K42-G125 WeakPolarHBondContact O-CA 3.47Å; K42-Y126 WeakPolarHBondContact CB-O 3.45Å; K42-Y126 PolarHBondContact O-N 3.18Å; K42-I201 WeakPolarHBondContact O-CG2 3.35Å; K42-A203 WeakPolarHBondContact CE-O 3.47Å; K42-A203 PolarHBondContact NZ-O 3.04Å
43T93.8Very high91.2Very high4 Ų436.9 Ų36.93%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-139.1128.1-178.9-53.30000109.8I39 T40 P96 V99 V123 G124I39-T43 HydrophobicContact CB-CG2 4.31Å; I39-T43 WeakPolarHBondContact CB-O 3.44Å; I39-T43 PolarHBondContact N-O 3.12Å; T40-T43 PolarHBondContact N-O 3.26Å; T40-T43 PolarHBondContact O-N 2.95Å; T43-P96 HydrophobicContact CG2-CB 4.39Å; T43-V99 HydrophobicContact CG2-CB 4.41Å; T43-V99 HydrophobicContact CG2-CG1 4.36Å; T43-V99 HydrophobicContact CG2-CG2 4.25Å; T43-V123 HydrophobicContact CG2-CG1 3.95Å; T43-G124 WeakPolarHBondContact CA-O 3.35Å
44S95.9Very high91.3Very high0 Ų034.6 Ų34.60%023%0.225CC..EExtended strand (participates in β ladder)trans-127.9148.9175.8-167.20000109.8G124 Q199S44-G124 PolarHBondContact N-O 3.36Å; S44-G124 PolarHBondContact O-N 2.77Å; S44-Q199 PolarHBondContact OG-OE1 2.95Å
45M96.1Very high91.3Very high0 Ų034.8 Ų34.80%023%0.227CC..EExtended strand (participates in β ladder)trans-119.8137.8175.8-175.4174.270.900108.9F37 I39 M54 G58 V61 F121 I122 V123F37-M45 HydrophobicContact CB-CB 4.37Å; F37-M45 HydrophobicContact CB-CE 4.18Å; F37-M45 HydrophobicContact CD2-CE 4.35Å; F37-M45 HydrophobicContact CG-CE 4.36Å; F37-M45 PolarHBondContact N-O 2.87Å; F37-M45 PolarHBondContact O-N 2.68Å; I39-M45 HydrophobicContact CD1-CB 3.97Å; I39-M45 HydrophobicContact CD1-CE 4.3Å; I39-M45 HydrophobicContact CG1-CB 3.83Å; M45-M54 HydrophobicContact CE-CE 3.51Å; M45-M54 HydrophobicContact CG-CE 4.49Å; M45-M54 HydrophobicContact SD-CE 4.36Å; M45-G58 VanDerWaalsContact CE-CA 3.48Å; M45-V61 HydrophobicContact CE-CB 4.47Å; M45-F121 HydrophobicContact CG-CB 3.98Å; M45-F121 HydrophobicContact CG-CD2 3.8Å; M45-F121 HydrophobicContact CG-CG 4.14Å; M45-F121 HydrophobicContact SD-CB 4.19Å; M45-F121 HydrophobicContact SD-CD1 4.45Å; M45-F121 HydrophobicContact SD-CD2 3.42Å; M45-F121 WeakPolarHBondContact SD-CD2 3.11Å; M45-F121 HydrophobicContact SD-CE2 3.81Å; M45-F121 HydrophobicContact SD-CG 3.78Å; M45-F121 HydrophobicContact SD-CZ 4.5Å; M45-I122 WeakPolarHBondContact CA-O 3.47Å; M45-V123 HydrophobicContact CG-CG2 4.21Å; M45-V123 HydrophobicContact SD-CG2 4.39Å
46V95.9Very high91.2Very high0 Ų040.8 Ų40.80%026%0.255CS..EExtended strand (participates in β ladder)trans-126.3130.1174.569.20000108.6L5 L16 A18 K35 F36 F121 I122L5-V46 HydrophobicContact CD2-CG2 3.89Å; L16-V46 HydrophobicContact CB-CG1 4.44Å; L16-V46 HydrophobicContact CD1-CG1 4.37Å; L16-V46 HydrophobicContact CD2-CG1 4.47Å; A18-V46 HydrophobicContact CB-CG2 3.42Å; A18-V46 VanDerWaalsContact CB-CG2 3.42Å; K35-V46 HydrophobicContact CB-CG2 4.17Å; K35-V46 WeakPolarHBondContact O-CA 3.36Å; K35-V46 WeakPolarHBondContact O-CG2 3.4Å; F36-V46 HydrophobicContact CD1-CB 3.94Å; F36-V46 HydrophobicContact CD1-CG2 3.92Å; F36-V46 HydrophobicContact CD2-CG2 4.22Å; F36-V46 HydrophobicContact CE1-CB 4Å; F36-V46 HydrophobicContact CE1-CG2 3.88Å; F36-V46 HydrophobicContact CE2-CG2 4.15Å; F36-V46 HydrophobicContact CG-CG2 4.12Å; F36-V46 HydrophobicContact CZ-CG2 4.02Å; V46-F121 CarbonylContact O-C 3.45Å; V46-F121 WeakPolarHBondContact O-CA 3.49Å; V46-F121 VanDerWaalsContact O-CB 3.29Å; V46-F121 WeakPolarHBondContact O-CB 3.34Å; V46-I122 HydrophobicContact CG1-CB 3.85Å; V46-I122 PolarHBondContact N-O 2.85Å; V46-I122 PolarHBondContact O-N 3.4Å
47G94.8Very high91.2Very high1 Ų140.5 Ų40.51%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-158.1167.5-170.400000115K35 N120K35-G47 PolarHBondContact O-N 3.14Å; K35-G47 VanDerWaalsContact O-N 3.14Å; G47-N120 CarbonylContact C-O 3.53Å; G47-N120 VanDerWaalsContact CA-O 3.24Å; G47-N120 WeakPolarHBondContact CA-O 3.39Å
48V94.2Very high91.2Very high9 Ų939.5 Ų39.56%0.05525%0.249CC..EExtended strand (participates in β ladder)trans-139.4142.3-180-64.90000109.5N3 L5 K35 N120 F150N3-V48 HydrophobicContact CB-CB 4.43Å; N3-V48 HydrophobicContact CB-CG1 3.66Å; N3-V48 HydrophobicContact CB-CG2 4.49Å; L5-V48 HydrophobicContact CD1-CG1 4.15Å; L5-V48 HydrophobicContact CD1-CG2 3.95Å; L5-V48 HydrophobicContact CD2-CG1 4.02Å; L5-V48 HydrophobicContact CG-CG1 4.21Å; K35-V48 HydrophobicContact CD-CG1 3.78Å; V48-N120 HydrophobicContact CG2-CB 4.28Å; V48-N120 PolarHBondContact N-O 2.84Å; V48-N120 PolarHBondContact O-N 2.81Å; V48-F150 HydrophobicContact CG2-CD1 3.78Å; V48-F150 HydrophobicContact CG2-CE1 3.5Å
49G91Very high91.4Very high32 Ų3240.4 Ų40.433%0.3325%0.245SC..EExtended strand (participates in β ladder)trans-149.5174.517800000109.1L118G49-L118 WeakPolarHBondContact CA-O 3.35Å
50D84.3Confident91.6Very high123 Ų12344.9 Ų44.966%0.65826%0.263SS*.SBendtrans-82.3146.3175.3-162.18.2000111G52 D53D50-G52 PolarHBondContact O-N 2.79Å; D50-D53 WeakPolarHBondContact O-CB 3.15Å; D50-D53 PolarHBondContact O-N 2.99Å
51G76.8Confident92Very high82 Ų8244.1 Ų44.185%0.84526%0.258SS*.THydrogen-bonded Turntrans57.1-87.2177.100000114.5
52G86.8Confident92.3Very high31 Ų3141.2 Ų41.232%0.3224%0.238SC..THydrogen-bonded Turntrans-145.313177.500000113.1D50 M54 D55 Q56D50-G52 PolarHBondContact O-N 2.79Å; G52-M54 PolarHBondContact O-N 2.9Å; G52-D55 PolarHBondContact O-N 2.92Å; G52-D55 VanDerWaalsContact O-N 3.14Å; G52-Q56 PolarHBondContact O-N 3.44Å; G52-Q56 VanDerWaalsContact O-N 3.11Å
53D91.4Very high92.4Very high51 Ų5144.2 Ų44.227%0.27325%0.251SS..Hα-helixtrans-57.4-39.7-179.6-82.77.4000111.2D50 F57 L118 V119D50-D53 WeakPolarHBondContact O-CB 3.15Å; D50-D53 PolarHBondContact O-N 2.99Å; D53-F57 WeakPolarHBondContact O-CB 3.37Å; D53-F57 PolarHBondContact O-N 2.84Å; D53-L118 PolarHBondContact OD2-N 3.24Å; D53-V119 HydrophobicContact CB-CG1 3.83Å
54M93.1Very high92.4Very high9 Ų946 Ų464%0.04426%0.261CS..Hα-helixtrans-67.8-36.8179.8-173.864.1-148.400112.4F37 M45 G52 G58 V119 F121F37-M54 HydrophobicContact CD2-CE 3.5Å; F37-M54 HydrophobicContact CE2-CE 3.38Å; F37-M54 HydrophobicContact CE2-CG 3.69Å; F37-M54 HydrophobicContact CE2-SD 4.43Å; F37-M54 HydrophobicContact CG-CE 4.45Å; F37-M54 HydrophobicContact CZ-CE 4.23Å; F37-M54 HydrophobicContact CZ-CG 3.96Å; M45-M54 HydrophobicContact CE-CE 3.51Å; M45-M54 HydrophobicContact CG-CE 4.49Å; M45-M54 HydrophobicContact SD-CE 4.36Å; G52-M54 PolarHBondContact O-N 2.9Å; M54-G58 WeakPolarHBondContact O-CA 3.34Å; M54-G58 PolarHBondContact O-N 3.18Å; M54-V119 HydrophobicContact CB-CG1 4.27Å; M54-V119 HydrophobicContact SD-CB 4.05Å; M54-V119 HydrophobicContact SD-CG1 4.19Å; M54-F121 HydrophobicContact CE-CB 4.12Å; M54-F121 HydrophobicContact SD-CB 4.44Å
55D92.9Very high92.2Very high81 Ų8146.2 Ų46.243%0.43326%0.262SS..Hα-helixtrans-67.7-48.1178.7-62.9-27.5000110.2G52 F57 G58 E59G52-D55 PolarHBondContact O-N 2.92Å; G52-D55 VanDerWaalsContact O-N 3.14Å; D55-F57 PolarHBondContact O-N 2.82Å; D55-G58 PolarHBondContact O-N 3.47Å; D55-E59 WeakPolarHBondContact O-CB 3.15Å; D55-E59 WeakPolarHBondContact O-CG 3.22Å; D55-E59 PolarHBondContact O-N 3.46Å
56Q93.4Very high91.8Very high136 Ų13648.9 Ų48.964%0.63628%0.278SS*.Hα-helixtrans-61.3-48.1177.1-65.2-58.6-36.300111.5G52 Y60G52-Q56 PolarHBondContact O-N 3.44Å; G52-Q56 VanDerWaalsContact O-N 3.11Å; Q56-Y60 WeakPolarHBondContact O-CB 3.32Å; Q56-Y60 PolarHBondContact O-N 2.89Å
57F94.6Very high91.5Very high1 Ų152 Ų520%0.00429%0.294CS..Hα-helixtrans-67.3-42.2-179.7-175-97.3000111.8D53 D55 Y60 V61 A103 E106 I107 H117 V119 F121D53-F57 WeakPolarHBondContact O-CB 3.37Å; D53-F57 PolarHBondContact O-N 2.84Å; D55-F57 PolarHBondContact O-N 2.82Å; F57-Y60 PolarHBondContact O-N 3.09Å; F57-V61 HydrophobicContact CD1-CG2 4.12Å; F57-V61 HydrophobicContact CE1-CG2 3.67Å; F57-V61 HydrophobicContact CE2-CG2 4.27Å; F57-V61 HydrophobicContact CZ-CG2 3.76Å; F57-V61 WeakPolarHBondContact O-CG2 3.3Å; F57-V61 PolarHBondContact O-N 3.09Å; F57-A103 HydrophobicContact CE1-CB 4.3Å; F57-A103 HydrophobicContact CZ-CB 4.16Å; F57-E106 HydrophobicContact CE2-CB 4.06Å; F57-I107 HydrophobicContact CE2-CG1 4.12Å; F57-I107 HydrophobicContact CZ-CD1 4.35Å; F57-I107 HydrophobicContact CZ-CG1 3.81Å; F57-H117 HydrophobicContact CD2-CB 4.23Å; F57-H117 AromaticContact CD2-CD2 3.56Å; F57-H117 AromaticContact CD2-CG 3.93Å; F57-H117 AromaticContact CE2-CD2 3.92Å; F57-V119 HydrophobicContact CB-CG1 4.18Å; F57-V119 HydrophobicContact CD1-CG2 3.8Å; F57-V119 HydrophobicContact CE1-CG2 4.07Å; F57-V119 HydrophobicContact CG-CG2 4.04Å; F57-F121 HydrophobicContact CD1-CE1 4.2Å; F57-F121 HydrophobicContact CE1-CD1 4.08Å; F57-F121 AromaticContact CE1-CE1 3.39Å; F57-F121 HydrophobicContact CE1-CE1 3.39Å; F57-F121 AromaticContact CE1-CZ 3.77Å; F57-F121 HydrophobicContact CE1-CZ 3.77Å; F57-F121 HydrophobicContact CZ-CE1 4.06Å; F57-F121 HydrophobicContact CZ-CZ 4.26Å
58G94.4Very high91.3Very high0 Ų056.5 Ų56.50%031%0.312CS..Hα-helixtrans-63.3-46.9179.600000112.6M45 M54 D55 V61 A62M45-G58 VanDerWaalsContact CE-CA 3.48Å; M54-G58 WeakPolarHBondContact O-CA 3.34Å; M54-G58 PolarHBondContact O-N 3.18Å; D55-G58 PolarHBondContact O-N 3.47Å; G58-V61 PolarHBondContact O-N 3.23Å; G58-A62 WeakPolarHBondContact O-CB 3.49Å; G58-A62 PolarHBondContact O-N 3.49Å
59E94.1Very high90.9Very high112 Ų11258.2 Ų58.252%0.52332%0.319SS..Hα-helixtrans-63.7-43.7173.3-71.9-171.5-178.200111.8D55 V61 A62 K63D55-E59 WeakPolarHBondContact O-CB 3.15Å; D55-E59 WeakPolarHBondContact O-CG 3.22Å; D55-E59 PolarHBondContact O-N 3.46Å; E59-V61 PolarHBondContact O-N 3.41Å; E59-A62 PolarHBondContact O-N 3.39Å; E59-K63 VanDerWaalsContact O-CG 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; E59-K63 PolarHBondContact O-N 3.41Å
60Y95Very high90.6Very high99 Ų9962 Ų6239%0.38833%0.329SS..Hα-helixtrans-57.1-47.5177.3171.4-105.2000112.1Q56 F57 N64 E106Q56-Y60 WeakPolarHBondContact O-CB 3.32Å; Q56-Y60 PolarHBondContact O-N 2.89Å; F57-Y60 PolarHBondContact O-N 3.09Å; Y60-N64 WeakPolarHBondContact CD2-ND2 2.9Å; Y60-N64 WeakPolarHBondContact CE2-ND2 3.34Å; Y60-N64 WeakPolarHBondContact O-CB 3.35Å; Y60-N64 PolarHBondContact O-N 3.09Å; Y60-N64 VanDerWaalsContact O-N 3.13Å; Y60-N64 PolarHBondContact O-ND2 2.9Å; Y60-E106 HydrophobicContact CE1-CB 4.38Å; Y60-E106 HydrophobicContact CE1-CG 3.92Å; Y60-E106 WeakPolarHBondContact CE1-OE2 3.06Å; Y60-E106 PolarHBondContact OH-OE2 2.88Å
61V94.8Very high90.7Very high0 Ų065.2 Ų65.20%033%0.332CS..Hα-helixtrans-63.3-47176.3174.20000110.5I39 M45 F57 G58 E59 K63 N64 M65 V99 F102 A103I39-V61 HydrophobicContact CD1-CG1 4.17Å; M45-V61 HydrophobicContact CE-CB 4.47Å; F57-V61 HydrophobicContact CD1-CG2 4.12Å; F57-V61 HydrophobicContact CE1-CG2 3.67Å; F57-V61 HydrophobicContact CE2-CG2 4.27Å; F57-V61 HydrophobicContact CZ-CG2 3.76Å; F57-V61 WeakPolarHBondContact O-CG2 3.3Å; F57-V61 PolarHBondContact O-N 3.09Å; G58-V61 PolarHBondContact O-N 3.23Å; E59-V61 PolarHBondContact O-N 3.41Å; V61-K63 PolarHBondContact O-N 3.15Å; V61-N64 PolarHBondContact O-N 3.28Å; V61-M65 WeakPolarHBondContact O-CG 3.44Å; V61-M65 PolarHBondContact O-N 3.35Å; V61-V99 HydrophobicContact CG1-CG1 4.36Å; V61-F102 HydrophobicContact CG1-CD1 4.47Å; V61-F102 HydrophobicContact CG2-CE1 4.49Å; V61-A103 HydrophobicContact CG1-CB 4.3Å; V61-A103 HydrophobicContact CG2-CB 4.05Å
62A93.3Very high91Very high13 Ų1364.9 Ų64.911%0.10731%0.311CS..Hα-helixtrans-59-48.1-179.700000112.4I39 G58 E59 N64 M65 V66I39-A62 HydrophobicContact CD1-CB 3.83Å; G58-A62 WeakPolarHBondContact O-CB 3.49Å; G58-A62 PolarHBondContact O-N 3.49Å; E59-A62 PolarHBondContact O-N 3.39Å; A62-N64 VanDerWaalsContact C-N 3.35Å; A62-N64 PolarHBondContact O-N 2.84Å; A62-M65 PolarHBondContact O-N 3.01Å; A62-V66 WeakPolarHBondContact O-CG2 3.16Å; A62-V66 PolarHBondContact O-N 2.92Å
63K93Very high90.1Very high144 Ų14464 Ų6463%0.62630%0.302SS*.Hα-helixtrans-66.2-35.8-179.9-62.2-46.5177-169.50112.5E59 V61 M65 V66 L67E59-K63 VanDerWaalsContact O-CG 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; E59-K63 PolarHBondContact O-N 3.41Å; V61-K63 PolarHBondContact O-N 3.15Å; K63-M65 VanDerWaalsContact C-N 3.32Å; K63-M65 PolarHBondContact O-N 3.29Å; K63-V66 PolarHBondContact O-N 3.29Å; K63-L67 WeakPolarHBondContact O-CB 3.4Å; K63-L67 PolarHBondContact O-N 2.78Å
64N93.6Very high88.2Confident43 Ų4366.1 Ų66.123%0.2332%0.317CS..Hα-helixtrans-65.9-35.1174.4-80.7-56000112.4Y60 V61 A62 L67 Y68 F102Y60-N64 WeakPolarHBondContact CD2-ND2 2.9Å; Y60-N64 WeakPolarHBondContact CE2-ND2 3.34Å; Y60-N64 WeakPolarHBondContact O-CB 3.35Å; Y60-N64 PolarHBondContact O-N 3.09Å; Y60-N64 VanDerWaalsContact O-N 3.13Å; Y60-N64 PolarHBondContact O-ND2 2.9Å; V61-N64 PolarHBondContact O-N 3.28Å; A62-N64 VanDerWaalsContact C-N 3.35Å; A62-N64 PolarHBondContact O-N 2.84Å; N64-L67 PolarHBondContact O-N 3.14Å; N64-Y68 WeakPolarHBondContact O-CB 3.34Å; N64-Y68 PolarHBondContact O-N 3.29Å; N64-F102 HydrophobicContact CB-CE1 3.95Å; N64-F102 HydrophobicContact CB-CZ 3.75Å
65M92.4Very high86.1Confident4 Ų470.7 Ų70.72%0.0235%0.345CS..Hα-helixtrans-70.3-41.9175.7-65.8-47.8109.600112I39 V61 A62 K63 L67 Y68 E69 M94 V99 F102I39-M65 HydrophobicContact CG2-CB 3.55Å; I39-M65 HydrophobicContact CG2-CG 3.28Å; V61-M65 WeakPolarHBondContact O-CG 3.44Å; V61-M65 PolarHBondContact O-N 3.35Å; A62-M65 PolarHBondContact O-N 3.01Å; K63-M65 VanDerWaalsContact C-N 3.32Å; K63-M65 PolarHBondContact O-N 3.29Å; M65-L67 VanDerWaalsContact C-N 3.32Å; M65-L67 PolarHBondContact O-N 3.18Å; M65-Y68 WeakPolarHBondContact O-CB 3.38Å; M65-Y68 PolarHBondContact O-N 3.38Å; M65-E69 PolarHBondContact O-N 3.31Å; M65-M94 HydrophobicContact CE-CE 4.41Å; M65-M94 HydrophobicContact CE-SD 4.34Å; M65-M94 HydrophobicContact SD-CB 4.1Å; M65-M94 HydrophobicContact SD-CE 3.94Å; M65-M94 HydrophobicContact SD-CG 4.42Å; M65-M94 HydrophobicContact SD-SD 3.59Å; M65-V99 HydrophobicContact CG-CG1 4.33Å; M65-V99 HydrophobicContact CG-CG2 4.09Å; M65-V99 HydrophobicContact SD-CB 4.48Å; M65-V99 HydrophobicContact SD-CG2 3.83Å; M65-F102 HydrophobicContact CE-CB 4.12Å; M65-F102 HydrophobicContact CE-CD1 3.2Å; M65-F102 HydrophobicContact CE-CD2 4.05Å; M65-F102 HydrophobicContact CE-CE1 3.49Å; M65-F102 VanDerWaalsContact CE-CE1 3.49Å; M65-F102 HydrophobicContact CE-CE2 4.29Å; M65-F102 HydrophobicContact CE-CG 3.51Å; M65-F102 HydrophobicContact CE-CZ 4.04Å
66V87.9Confident83.7Confident55 Ų5569 Ų6933%0.33335%0.347SS..Hα-helixtrans-60.5-43.4172.6174.40000110.9A62 K63 Y68 E69 M70A62-V66 WeakPolarHBondContact O-CG2 3.16Å; A62-V66 PolarHBondContact O-N 2.92Å; K63-V66 PolarHBondContact O-N 3.29Å; V66-Y68 VanDerWaalsContact C-N 3.33Å; V66-Y68 PolarHBondContact O-N 3.49Å; V66-E69 PolarHBondContact O-N 2.97Å; V66-M70 HydrophobicContact CG1-CE 3.68Å; V66-M70 HydrophobicContact CG1-SD 4.25Å; V66-M70 WeakPolarHBondContact O-CG 3.32Å; V66-M70 PolarHBondContact O-N 3.32Å
67L90.2Very high81Confident65 Ų6570.3 Ų70.334%0.3435%0.353SS..Hα-helixtrans-62.4-40.7175.7178.462.8000111.9K63 N64 M65 E69 M70 R71K63-L67 WeakPolarHBondContact O-CB 3.4Å; K63-L67 PolarHBondContact O-N 2.78Å; N64-L67 PolarHBondContact O-N 3.14Å; M65-L67 VanDerWaalsContact C-N 3.32Å; M65-L67 PolarHBondContact O-N 3.18Å; L67-E69 VanDerWaalsContact C-N 3.35Å; L67-M70 PolarHBondContact O-N 2.62Å; L67-R71 HydrophobicContact CD1-CG 4.12Å; L67-R71 HydrophobicContact CG-CG 4.43Å; L67-R71 WeakPolarHBondContact O-CB 3.44Å; L67-R71 WeakPolarHBondContact O-CG 3.39Å; L67-R71 PolarHBondContact O-N 3.45Å
68Y90.3Very high78.2Confident96 Ų9678.1 Ų78.138%0.37639%0.394SS..Hα-helixtrans-61-45.4175.7-179.6-85.5000111.1N64 M65 V66 M70 R71 N72 M94N64-Y68 WeakPolarHBondContact O-CB 3.34Å; N64-Y68 PolarHBondContact O-N 3.29Å; M65-Y68 WeakPolarHBondContact O-CB 3.38Å; M65-Y68 PolarHBondContact O-N 3.38Å; V66-Y68 VanDerWaalsContact C-N 3.33Å; V66-Y68 PolarHBondContact O-N 3.49Å; Y68-M70 VanDerWaalsContact C-N 3.34Å; Y68-M70 PolarHBondContact O-N 2.7Å; Y68-R71 PolarHBondContact O-N 2.81Å; Y68-N72 WeakPolarHBondContact CD1-ND2 3.33Å; Y68-N72 WeakPolarHBondContact CD2-ND2 3.41Å; Y68-N72 WeakPolarHBondContact CE1-ND2 3.39Å; Y68-N72 WeakPolarHBondContact CE2-ND2 3.3Å; Y68-N72 WeakPolarHBondContact O-CB 3.37Å; Y68-N72 PolarHBondContact O-N 2.85Å; Y68-N72 PolarHBondContact O-ND2 3.33Å; Y68-M94 HydrophobicContact CD1-CB 4.06Å; Y68-M94 HydrophobicContact CD1-CE 3.93Å; Y68-M94 HydrophobicContact CD2-CE 3.41Å; Y68-M94 VanDerWaalsContact CD2-CE 3.41Å; Y68-M94 HydrophobicContact CE1-CB 4.07Å; Y68-M94 HydrophobicContact CE1-CE 4Å; Y68-M94 HydrophobicContact CE2-CE 3.48Å; Y68-M94 VanDerWaalsContact CE2-CE 3.48Å; Y68-M94 HydrophobicContact CG-CE 3.65Å
69E86.2Confident75.2Confident45 Ų4583 Ų8321%0.2143%0.428CS..Hα-helixtrans-61.6-41.7177.1-172.7175.8178.500111.6M65 V66 L67 G73 V89 G91M65-E69 PolarHBondContact O-N 3.31Å; V66-E69 PolarHBondContact O-N 2.97Å; L67-E69 VanDerWaalsContact C-N 3.35Å; E69-G73 WeakPolarHBondContact O-CA 3.49Å; E69-G73 PolarHBondContact O-N 2.9Å; E69-V89 HydrophobicContact CG-CG1 4.47Å; E69-G91 WeakPolarHBondContact O-CA 3.37Å
70M84.5Confident72.3Confident111 Ų11187 Ų8755%0.54744%0.444SS..Hα-helixtrans-68.2-38.5176.1-70.8179.217800113.4V66 L67 Y68V66-M70 HydrophobicContact CG1-CE 3.68Å; V66-M70 HydrophobicContact CG1-SD 4.25Å; V66-M70 WeakPolarHBondContact O-CG 3.32Å; V66-M70 PolarHBondContact O-N 3.32Å; L67-M70 PolarHBondContact O-N 2.62Å; Y68-M70 VanDerWaalsContact C-N 3.34Å; Y68-M70 PolarHBondContact O-N 2.7Å
71R85.8Confident69.8Low191 Ų19187.5 Ų87.572%0.72146%0.457SS*.Hα-helixtrans-74.3-38.1-178.3-79.3-178.7173.7-179.50.4113.2L67 Y68L67-R71 HydrophobicContact CD1-CG 4.12Å; L67-R71 HydrophobicContact CG-CG 4.43Å; L67-R71 WeakPolarHBondContact O-CB 3.44Å; L67-R71 WeakPolarHBondContact O-CG 3.39Å; L67-R71 PolarHBondContact O-N 3.45Å; Y68-R71 PolarHBondContact O-N 2.81Å
72N84.2Confident66.9Low76 Ų7693.1 Ų93.141%0.40649%0.491SS..Hα-helixtrans-93.3-10.8-179.8-60-48.2000112.2Y68Y68-N72 WeakPolarHBondContact CD1-ND2 3.33Å; Y68-N72 WeakPolarHBondContact CD2-ND2 3.41Å; Y68-N72 WeakPolarHBondContact CE1-ND2 3.39Å; Y68-N72 WeakPolarHBondContact CE2-ND2 3.3Å; Y68-N72 WeakPolarHBondContact O-CB 3.37Å; Y68-N72 PolarHBondContact O-N 2.85Å; Y68-N72 PolarHBondContact O-ND2 3.33Å
73G67.9Low64.2Low11 Ų11104.9 Ų104.911%0.11353%0.533CS..SBendtrans-67.8133.1169.400000110.6E69 V75 I90E69-G73 WeakPolarHBondContact O-CA 3.49Å; E69-G73 PolarHBondContact O-N 2.9Å; G73-V75 PolarHBondContact O-N 3.23Å; G73-I90 VanDerWaalsContact CA-O 3.26Å; G73-I90 WeakPolarHBondContact CA-O 3.03Å
74T51.5Low61.7Low96 Ų96105.5 Ų105.559%0.58954%0.542SS*.BIsolated β-bridgetrans-72.3117.2165.4-48.60000105.7G76 I90T74-G76 PolarHBondContact O-N 3.01Å; T74-I90 PolarHBondContact N-O 3.25Å
75V48.7Very low58.8Low106 Ų106112.3 Ų112.364%0.64257%0.573SS**  trans-66.887.2160.7-173.40000105.1G73 H77G73-V75 PolarHBondContact O-N 3.23Å; V75-H77 PolarHBondContact O-N 3.03Å
76G41.6Very low56.3Low46 Ų46121.1 Ų121.147%0.47461%0.611SS.*  trans-64.189.6163.700000106.2T74 L78T74-G76 PolarHBondContact O-N 3.01Å; G76-L78 PolarHBondContact O-N 3.2Å
77H36.7Very low53.8Low163 Ų163124.9 Ų124.976%0.75563%0.629SS**  trans-58.598.2154.9-93.5-65000105.3V75 S79V75-H77 PolarHBondContact O-N 3.03Å; H77-S79 PolarHBondContact O-N 2.79Å
78L35.6Very low51.8Low165 Ų165129.6 Ų129.686%0.86465%0.647SS**  trans-61.590.1148.6-92.9124000104.9G76 F80G76-L78 PolarHBondContact O-N 3.2Å; L78-F80 PolarHBondContact O-N 2.91Å
79S31.7Very low49.8Very low103 Ų103127.9 Ų127.972%0.7265%0.647SS**  trans-55.7133.4161.939.20000106.6H77H77-S79 PolarHBondContact O-N 2.79Å
80F32.5Very low48.3Very low194 Ų194130.3 Ų130.385%0.85166%0.66SS**SBendtrans84.9125.9167.9-140.1-115.5000115.2L78L78-F80 PolarHBondContact O-N 2.91Å
81V42.6Very low47.2Very low111 Ų111125.6 Ų125.667%0.67364%0.64SS**SBendtrans95.1108.2162.8-154.40000117.4
82T34.8Very low46.9Very low117 Ų117124.4 Ų124.472%0.71864%0.637SS**  trans64.890.1157.344.70000119.8L84T82-L84 PolarHBondContact O-N 2.78Å
83R35.6Very low46.8Very low260 Ų260123.8 Ų123.898%0.98164%0.637SS**SBend33.97.8126.6-132.6176.2-172.4175.51.5123
84L41.1Very low47.8Very low157 Ų157124.9 Ų124.982%0.82264%0.64SS**  trans-113.193.4164.8-93.7129000107.2T82 F86T82-L84 PolarHBondContact O-N 2.78Å; L84-F86 PolarHBondContact O-N 2.75Å
85Q34Very low49.8Very low186 Ų186122.4 Ų122.487%0.86963%0.626SS**  trans-69.580.7170.5-85174.4-37.100109.2
86F38.1Very low51.9Low190 Ų190117.5 Ų117.583%0.83360%0.597SS**  trans-92.5100.4157.1-136-93.4000106.4L84 F88L84-F86 PolarHBondContact O-N 2.75Å; F86-F88 VanDerWaalsContact C-N 3.33Å; F86-F88 PolarHBondContact O-N 3.23Å
87N36.4Very low54.5Low133 Ų133121.5 Ų121.571%0.71160%0.601SS**  trans-66.394.3174.1-75.2-31000108.2V89N87-V89 PolarHBondContact O-N 2.8Å
88F47.6Very low57.2Low164 Ų164114.7 Ų114.772%0.71958%0.575SS**  trans-79.198.8167.5-172-110.5000107.9F86 I90F86-F88 VanDerWaalsContact C-N 3.33Å; F86-F88 PolarHBondContact O-N 3.23Å; F88-I90 HydrophobicContact CD1-CD1 4.19Å; F88-I90 HydrophobicContact CD1-CG1 3.56Å; F88-I90 HydrophobicContact CE1-CD1 4.21Å; F88-I90 HydrophobicContact CE1-CG1 3.6Å; F88-I90 PolarHBondContact O-N 2.71Å
89V48.2Very low60Low61 Ų61106.9 Ų106.937%0.3753%0.534SS..  trans-74.2107.8174.5178.70000107.3E69 N87 G91E69-V89 HydrophobicContact CG-CG1 4.47Å; N87-V89 PolarHBondContact O-N 2.8Å; V89-G91 PolarHBondContact O-N 3.11Å
90I55.6Low63.1Low95 Ų95102 Ų10249%0.48750%0.5SS..BIsolated β-bridgetrans-81.865.1165.9-50179.4000107.1G73 T74 F88G73-I90 VanDerWaalsContact CA-O 3.26Å; G73-I90 WeakPolarHBondContact CA-O 3.03Å; T74-I90 PolarHBondContact N-O 3.25Å; F88-I90 HydrophobicContact CD1-CD1 4.19Å; F88-I90 HydrophobicContact CD1-CG1 3.56Å; F88-I90 HydrophobicContact CE1-CD1 4.21Å; F88-I90 HydrophobicContact CE1-CG1 3.6Å; F88-I90 PolarHBondContact O-N 2.71Å
91G61.5Low66.1Low12 Ų1296 Ų9612%0.12448%0.477CS..  trans-77141.6174.400000110.4E69 V89 P93E69-G91 WeakPolarHBondContact O-CA 3.37Å; V89-G91 PolarHBondContact O-N 3.11Å; G91-P93 WeakPolarHBondContact O-CD 3.45Å
92Y78.2Confident68.7Low166 Ų16693 Ų9365%0.65146%0.455SS*.  trans-84.4103.9162.6-71.2-78.7000107.6
93P83.8Confident71.5Confident64 Ų6487.5 Ų87.542%0.41642%0.421SS..PPolyproline II helixtrans-62.1148.1178.628.5-36.4000110T40 G91T40-P93 HydrophobicContact CG2-CB 3.47Å; T40-P93 VanDerWaalsContact CG2-CB 3.47Å; G91-P93 WeakPolarHBondContact O-CD 3.45Å
94M88.2Confident74.4Confident34 Ų3479.8 Ų79.817%0.16739%0.392CS..PPolyproline II helixtrans-67.7138.3174.3-170.5173.3-65.500109.6M65 Y68 V99M65-M94 HydrophobicContact CE-CE 4.41Å; M65-M94 HydrophobicContact CE-SD 4.34Å; M65-M94 HydrophobicContact SD-CB 4.1Å; M65-M94 HydrophobicContact SD-CE 3.94Å; M65-M94 HydrophobicContact SD-CG 4.42Å; M65-M94 HydrophobicContact SD-SD 3.59Å; Y68-M94 HydrophobicContact CD1-CB 4.06Å; Y68-M94 HydrophobicContact CD1-CE 3.93Å; Y68-M94 HydrophobicContact CD2-CE 3.41Å; Y68-M94 VanDerWaalsContact CD2-CE 3.41Å; Y68-M94 HydrophobicContact CE1-CB 4.07Å; Y68-M94 HydrophobicContact CE1-CE 4Å; Y68-M94 HydrophobicContact CE2-CE 3.48Å; Y68-M94 VanDerWaalsContact CE2-CE 3.48Å; Y68-M94 HydrophobicContact CG-CE 3.65Å; M94-V99 HydrophobicContact CB-CG2 4.07Å; M94-V99 HydrophobicContact CG-CG2 4.18Å; M94-V99 HydrophobicContact SD-CG2 4.38Å
95S92.6Very high77Confident43 Ų4380.2 Ų80.230%0.30138%0.383SS..PPolyproline II helixtrans-59.8148.7175.265.30000110.7K97 G98 V99 D127S95-K97 PolarHBondContact O-N 3.42Å; S95-K97 VanDerWaalsContact O-N 3.15Å; S95-G98 CarbonylContact O-C 3.47Å; S95-G98 VanDerWaalsContact O-CA 3.28Å; S95-G98 WeakPolarHBondContact O-CA 3.41Å; S95-G98 PolarHBondContact O-N 2.84Å; S95-G98 PolarHBondContact OG-N 3.14Å; S95-V99 PolarHBondContact O-N 2.9Å; S95-D127 WeakPolarHBondContact CB-OD2 3.4Å
96P94.3Very high79.8Confident4 Ų472 Ų723%0.02634%0.344CS..Hα-helixtrans-54.9-36.3179.1-26.534000112.9T43 V99 A100 D127 Y132T43-P96 HydrophobicContact CG2-CB 4.39Å; P96-V99 PolarHBondContact O-N 2.69Å; P96-A100 WeakPolarHBondContact O-CB 3.23Å; P96-A100 PolarHBondContact O-N 3.14Å; P96-D127 HydrophobicContact CG-CB 4.27Å; P96-Y132 HydrophobicContact CB-CD1 3.68Å; P96-Y132 HydrophobicContact CB-CG 4.16Å
97K95.2Very high82.5Confident129 Ų12963 Ų6356%0.56130%0.304SS*.Hα-helixtrans-65.9-37.7172.9-176.2176-179.9178.70112.2S95 N101 Y132S95-K97 PolarHBondContact O-N 3.42Å; S95-K97 VanDerWaalsContact O-N 3.15Å; K97-N101 PolarHBondContact O-N 2.87Å; K97-N101 VanDerWaalsContact O-N 3.08Å; K97-N101 PolarHBondContact O-ND2 3.09Å; K97-Y132 HydrophobicContact CB-CE1 4.28Å; K97-Y132 HydrophobicContact CB-CE2 4.18Å; K97-Y132 HydrophobicContact CG-CE2 4.34Å
98G94.4Very high85.2Confident21 Ų2159 Ų5922%0.21629%0.285CS..Hα-helixtrans-61.4-48.1171.900000111.5S95 A100 N101 F102S95-G98 CarbonylContact O-C 3.47Å; S95-G98 VanDerWaalsContact O-CA 3.28Å; S95-G98 WeakPolarHBondContact O-CA 3.41Å; S95-G98 PolarHBondContact O-N 2.84Å; S95-G98 PolarHBondContact OG-N 3.14Å; G98-A100 PolarHBondContact O-N 2.85Å; G98-N101 PolarHBondContact O-N 2.83Å; G98-F102 WeakPolarHBondContact O-CB 3.4Å; G98-F102 PolarHBondContact O-N 2.81Å
99V94.9Very high87.4Confident0 Ų058.6 Ų58.60%028%0.279CS..Hα-helixtrans-57.4-48.8176.7178.40000111I39 T43 V61 M65 M94 S95 P96 N101 F102 A103 V123I39-V99 HydrophobicContact CG2-CG1 3.96Å; I39-V99 HydrophobicContact CG2-CG2 4.35Å; T43-V99 HydrophobicContact CG2-CB 4.41Å; T43-V99 HydrophobicContact CG2-CG1 4.36Å; T43-V99 HydrophobicContact CG2-CG2 4.25Å; V61-V99 HydrophobicContact CG1-CG1 4.36Å; M65-V99 HydrophobicContact CG-CG1 4.33Å; M65-V99 HydrophobicContact CG-CG2 4.09Å; M65-V99 HydrophobicContact SD-CB 4.48Å; M65-V99 HydrophobicContact SD-CG2 3.83Å; M94-V99 HydrophobicContact CB-CG2 4.07Å; M94-V99 HydrophobicContact CG-CG2 4.18Å; M94-V99 HydrophobicContact SD-CG2 4.38Å; S95-V99 PolarHBondContact O-N 2.9Å; P96-V99 PolarHBondContact O-N 2.69Å; V99-N101 VanDerWaalsContact C-N 3.34Å; V99-N101 PolarHBondContact O-N 2.81Å; V99-F102 PolarHBondContact O-N 3.07Å; V99-A103 WeakPolarHBondContact O-CB 3.49Å; V99-A103 PolarHBondContact O-N 3.17Å; V99-V123 HydrophobicContact CG1-CG1 4.36Å
100A95.9Very high89.5Confident0 Ų057.2 Ų57.20%027%0.269CS..Hα-helixtrans-60-42178.600000112.5P96 G98 R104 V123 Y132 A134 I136P96-A100 WeakPolarHBondContact O-CB 3.23Å; P96-A100 PolarHBondContact O-N 3.14Å; G98-A100 PolarHBondContact O-N 2.85Å; A100-R104 WeakPolarHBondContact O-CB 3.45Å; A100-R104 PolarHBondContact O-N 2.92Å; A100-V123 HydrophobicContact CB-CB 4.38Å; A100-V123 HydrophobicContact CB-CG2 4.37Å; A100-Y132 HydrophobicContact CB-CE1 4Å; A100-A134 HydrophobicContact CB-CB 4.46Å; A100-I136 HydrophobicContact CB-CD1 4.13Å
101N96.2Very high91.1Very high69 Ų6955.6 Ų55.637%0.36926%0.261SS..Hα-helixtrans-71.4-34.7177.4-75.8-57.4000112.9K97 G98 V99 R105K97-N101 PolarHBondContact O-N 2.87Å; K97-N101 VanDerWaalsContact O-N 3.08Å; K97-N101 PolarHBondContact O-ND2 3.09Å; G98-N101 PolarHBondContact O-N 2.83Å; V99-N101 VanDerWaalsContact C-N 3.34Å; V99-N101 PolarHBondContact O-N 2.81Å; N101-R105 VanDerWaalsContact O-CB 3.3Å; N101-R105 WeakPolarHBondContact O-CB 3.34Å; N101-R105 PolarHBondContact O-N 3.33Å
102F95.7Very high92.4Very high49 Ų4965.6 Ų65.622%0.21530%0.295CS..Hα-helixtrans-62.1-54.4172.8174.4-91.8000110.5V61 N64 M65 G98 V99 R104 R105 E106V61-F102 HydrophobicContact CG1-CD1 4.47Å; V61-F102 HydrophobicContact CG2-CE1 4.49Å; N64-F102 HydrophobicContact CB-CE1 3.95Å; N64-F102 HydrophobicContact CB-CZ 3.75Å; M65-F102 HydrophobicContact CE-CB 4.12Å; M65-F102 HydrophobicContact CE-CD1 3.2Å; M65-F102 HydrophobicContact CE-CD2 4.05Å; M65-F102 HydrophobicContact CE-CE1 3.49Å; M65-F102 VanDerWaalsContact CE-CE1 3.49Å; M65-F102 HydrophobicContact CE-CE2 4.29Å; M65-F102 HydrophobicContact CE-CG 3.51Å; M65-F102 HydrophobicContact CE-CZ 4.04Å; G98-F102 WeakPolarHBondContact O-CB 3.4Å; G98-F102 PolarHBondContact O-N 2.81Å; V99-F102 PolarHBondContact O-N 3.07Å; F102-R104 VanDerWaalsContact C-N 3.32Å; F102-R104 PolarHBondContact O-N 2.97Å; F102-R105 WeakPolarHBondContact O-CB 3.49Å; F102-R105 PolarHBondContact O-N 2.81Å; F102-R105 VanDerWaalsContact O-N 3.07Å; F102-E106 HydrophobicContact CE1-CG 4.11Å; F102-E106 HydrophobicContact CZ-CG 4.1Å; F102-E106 WeakPolarHBondContact O-CG 3.34Å; F102-E106 PolarHBondContact O-N 2.93Å; F102-E106 VanDerWaalsContact O-N 3.14Å
103A95.2Very high93Very high0 Ų061.2 Ų61.20%029%0.286CS..Hα-helixtrans-59.6-44.1-179.900000111.3F57 V61 V99 R105 E106 I107 F121F57-A103 HydrophobicContact CE1-CB 4.3Å; F57-A103 HydrophobicContact CZ-CB 4.16Å; V61-A103 HydrophobicContact CG1-CB 4.3Å; V61-A103 HydrophobicContact CG2-CB 4.05Å; V99-A103 WeakPolarHBondContact O-CB 3.49Å; V99-A103 PolarHBondContact O-N 3.17Å; A103-R105 VanDerWaalsContact C-N 3.33Å; A103-R105 PolarHBondContact O-N 2.84Å; A103-E106 PolarHBondContact O-N 3.08Å; A103-I107 PolarHBondContact O-N 2.87Å; A103-F121 HydrophobicContact CB-CE2 3.8Å; A103-F121 HydrophobicContact CB-CZ 3.58Å
104R95.3Very high93.2Very high98 Ų9863.5 Ų63.537%0.3731%0.31SS..Hα-helixtrans-56.9-44.5173.8-177.5-168.6179.1-174.5-2.7112.4A100 F102 E106 I107 V108 I136 G140A100-R104 WeakPolarHBondContact O-CB 3.45Å; A100-R104 PolarHBondContact O-N 2.92Å; F102-R104 VanDerWaalsContact C-N 3.32Å; F102-R104 PolarHBondContact O-N 2.97Å; R104-E106 VanDerWaalsContact C-N 3.27Å; R104-E106 PolarHBondContact O-N 2.85Å; R104-I107 PolarHBondContact O-N 3.36Å; R104-V108 HydrophobicContact CG-CG2 4.44Å; R104-V108 WeakPolarHBondContact O-CG2 3.38Å; R104-V108 PolarHBondContact O-N 3.43Å; R104-I136 HydrophobicContact CB-CG2 4.36Å; R104-G140 VanDerWaalsContact CG-O 3.29Å; R104-G140 WeakPolarHBondContact CG-O 3.44Å; R104-G140 PolarHBondContact NE-O 2.74Å
105R95.2Very high93.2Very high167 Ų16767.2 Ų67.263%0.6333%0.331SS*.Hα-helixtrans-60.3-40.1179.9178.6-177.3176.4-174.7-0.9111.3N101 F102 A103 V108 R109N101-R105 VanDerWaalsContact O-CB 3.3Å; N101-R105 WeakPolarHBondContact O-CB 3.34Å; N101-R105 PolarHBondContact O-N 3.33Å; F102-R105 WeakPolarHBondContact O-CB 3.49Å; F102-R105 PolarHBondContact O-N 2.81Å; F102-R105 VanDerWaalsContact O-N 3.07Å; A103-R105 VanDerWaalsContact C-N 3.33Å; A103-R105 PolarHBondContact O-N 2.84Å; R105-V108 PolarHBondContact O-N 3.24Å; R105-R109 VanDerWaalsContact O-CB 3.31Å; R105-R109 WeakPolarHBondContact O-CB 3.43Å; R105-R109 PolarHBondContact O-N 3.03Å
106E94.1Very high93Very high13 Ų1367.1 Ų67.16%0.06133%0.329CS..Hα-helixtrans-66.8-41.7179.5-63.4-63.4110.200111.5F57 Y60 F102 A103 R104 R109 N110F57-E106 HydrophobicContact CE2-CB 4.06Å; Y60-E106 HydrophobicContact CE1-CB 4.38Å; Y60-E106 HydrophobicContact CE1-CG 3.92Å; Y60-E106 WeakPolarHBondContact CE1-OE2 3.06Å; Y60-E106 PolarHBondContact OH-OE2 2.88Å; F102-E106 HydrophobicContact CE1-CG 4.11Å; F102-E106 HydrophobicContact CZ-CG 4.1Å; F102-E106 WeakPolarHBondContact O-CG 3.34Å; F102-E106 PolarHBondContact O-N 2.93Å; F102-E106 VanDerWaalsContact O-N 3.14Å; A103-E106 PolarHBondContact O-N 3.08Å; R104-E106 VanDerWaalsContact C-N 3.27Å; R104-E106 PolarHBondContact O-N 2.85Å; E106-R109 PolarHBondContact O-N 3.18Å; E106-N110 PolarHBondContact O-N 3.05Å
107I93.8Very high92.7Very high0 Ų068.7 Ų68.70%034%0.336CS..Hα-helixtrans-58.4-52.9171.7-60.8167.6000110.6F57 A103 R104 R109 N110 L111 V119 F121 I136 Y138F57-I107 HydrophobicContact CE2-CG1 4.12Å; F57-I107 HydrophobicContact CZ-CD1 4.35Å; F57-I107 HydrophobicContact CZ-CG1 3.81Å; A103-I107 PolarHBondContact O-N 2.87Å; R104-I107 PolarHBondContact O-N 3.36Å; I107-R109 PolarHBondContact O-N 3.18Å; I107-N110 PolarHBondContact O-N 3.01Å; I107-N110 VanDerWaalsContact O-N 3.1Å; I107-L111 HydrophobicContact CG2-CD1 3.91Å; I107-L111 HydrophobicContact CG2-CG 4.1Å; I107-L111 WeakPolarHBondContact O-CB 3.32Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.42Å; I107-L111 PolarHBondContact O-N 2.98Å; I107-V119 HydrophobicContact CD1-CG2 4.29Å; I107-V119 HydrophobicContact CG1-CG2 4.33Å; I107-F121 HydrophobicContact CD1-CE1 3.39Å; I107-F121 HydrophobicContact CD1-CZ 3.75Å; I107-F121 HydrophobicContact CG1-CE1 4.36Å; I107-I136 HydrophobicContact CD1-CG2 3.53Å; I107-Y138 WeakPolarHBondContact CG2-O 3.13Å
108V94Very high92.6Very high51 Ų5166.3 Ų66.331%0.30933%0.329SS..Hα-helixtrans-61.3-34.3-177.5174.10000112.1R104 R105R104-V108 HydrophobicContact CG-CG2 4.44Å; R104-V108 WeakPolarHBondContact O-CG2 3.38Å; R104-V108 PolarHBondContact O-N 3.43Å; R105-V108 PolarHBondContact O-N 3.24Å
109R92.9Very high92.6Very high155 Ų15565.3 Ų65.359%0.58532%0.319SS*.Hα-helixtrans-66-45.9175.7-175178.6-176.5165-0.3111.1R105 E106 I107R105-R109 VanDerWaalsContact O-CB 3.31Å; R105-R109 WeakPolarHBondContact O-CB 3.43Å; R105-R109 PolarHBondContact O-N 3.03Å; E106-R109 PolarHBondContact O-N 3.18Å; I107-R109 PolarHBondContact O-N 3.18Å
110N92Very high92.6Very high32 Ų3266 Ų6617%0.17132%0.323CS..Hα-helixtrans-80.3-23.9-174.8-66.9-9.1000112.7E106 I107 R112 T113 H117E106-N110 PolarHBondContact O-N 3.05Å; I107-N110 PolarHBondContact O-N 3.01Å; I107-N110 VanDerWaalsContact O-N 3.1Å; N110-R112 PolarHBondContact O-N 3.07Å; N110-T113 WeakPolarHBondContact O-CB 3.26Å; N110-T113 PolarHBondContact O-N 3.5Å; N110-T113 PolarHBondContact O-OG1 2.9Å; N110-H117 PolarHBondContact ND2-CD2 2.83Å; N110-H117 PolarHBondContact ND2-NE2 2.78Å
111L90.4Very high92.6Very high60 Ų6066 Ų6631%0.31432%0.323SS..THydrogen-bonded Turntrans-55.7-24.1170.7-82.8173.4000114.3I107 P116 L139I107-L111 HydrophobicContact CG2-CD1 3.91Å; I107-L111 HydrophobicContact CG2-CG 4.1Å; I107-L111 WeakPolarHBondContact O-CB 3.32Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.42Å; I107-L111 PolarHBondContact O-N 2.98Å; L111-P116 HydrophobicContact CD2-CB 4.11Å; L111-L139 VanDerWaalsContact CD1-C 3.41Å; L111-L139 WeakPolarHBondContact CD1-O 3.38Å
112R88.4Confident92.7Very high223 Ų22362.8 Ų62.884%0.84231%0.305SS*.THydrogen-bonded Turntrans-96.55.5178.6-62.4179.6177.9171.1-0.7113.1N110N110-R112 PolarHBondContact O-N 3.07Å
113T91.4Very high92.7Very high74 Ų7460.4 Ų60.445%0.45430%0.295SS..SBendtrans-108.5177.2177.972.80000110.2N110 D115N110-T113 WeakPolarHBondContact O-CB 3.26Å; N110-T113 PolarHBondContact O-N 3.5Å; N110-T113 PolarHBondContact O-OG1 2.9Å; T113-D115 PolarHBondContact O-N 3.16Å; T113-D115 PolarHBondContact OG1-N 3.17Å; T113-D115 PolarHBondContact OG1-O 3.23Å
114A88.1Confident92.8Very high112 Ų11260.4 Ų60.493%0.92630%0.295SS*.SBendtrans-71-12176.100000113.4P116A114-P116 WeakPolarHBondContact O-CD 3.35Å
115D87.6Confident92.9Very high111 Ų11155.8 Ų55.859%0.59428%0.277SS*.SBendtrans-127.677.3-172.3-169.229.5000111.1T113T113-D115 PolarHBondContact O-N 3.16Å; T113-D115 PolarHBondContact OG1-N 3.17Å; T113-D115 PolarHBondContact OG1-O 3.23Å
116P89Confident92.8Very high42 Ų4250.3 Ų50.327%0.27326%0.257SS..  trans-75.6134178.431.3-33.8000111.1L111 A114 L118L111-P116 HydrophobicContact CD2-CB 4.11Å; A114-P116 WeakPolarHBondContact O-CD 3.35Å; P116-L118 HydrophobicContact CB-CD2 4.39Å; P116-L118 HydrophobicContact CG-CD2 4.34Å; P116-L118 PolarHBondContact O-N 3.15Å
117H88.3Confident92.7Very high36 Ų3652.2 Ų52.217%0.16727%0.268CS..  trans-73.7109.1170.3-63.8-45.2000110.7F57 N110 V119F57-H117 HydrophobicContact CD2-CB 4.23Å; F57-H117 AromaticContact CD2-CD2 3.56Å; F57-H117 AromaticContact CD2-CG 3.93Å; F57-H117 AromaticContact CE2-CD2 3.92Å; N110-H117 PolarHBondContact ND2-CD2 2.83Å; N110-H117 PolarHBondContact ND2-NE2 2.78Å; H117-V119 HydrophobicContact CB-CG2 4.21Å; H117-V119 PolarHBondContact O-N 3.27Å
118L91.1Very high92.5Very high79 Ų7958.7 Ų58.741%0.41431%0.308SS..  trans-88.261.6-178.5-61.8-178.2000111.4G49 D53 P116 Y138G49-L118 WeakPolarHBondContact CA-O 3.35Å; D53-L118 PolarHBondContact OD2-N 3.24Å; P116-L118 HydrophobicContact CB-CD2 4.39Å; P116-L118 HydrophobicContact CG-CD2 4.34Å; P116-L118 PolarHBondContact O-N 3.15Å; L118-Y138 HydrophobicContact CD2-CD2 4.36Å
119V94.5Very high92.3Very high0 Ų061.9 Ų61.90%033%0.332CS..EExtended strand (participates in β ladder)trans-115146.6-174.2-61.50000112D53 M54 F57 I107 H117 F121 D137 Y138D53-V119 HydrophobicContact CB-CG1 3.83Å; M54-V119 HydrophobicContact CB-CG1 4.27Å; M54-V119 HydrophobicContact SD-CB 4.05Å; M54-V119 HydrophobicContact SD-CG1 4.19Å; F57-V119 HydrophobicContact CB-CG1 4.18Å; F57-V119 HydrophobicContact CD1-CG2 3.8Å; F57-V119 HydrophobicContact CE1-CG2 4.07Å; F57-V119 HydrophobicContact CG-CG2 4.04Å; I107-V119 HydrophobicContact CD1-CG2 4.29Å; I107-V119 HydrophobicContact CG1-CG2 4.33Å; H117-V119 HydrophobicContact CB-CG2 4.21Å; H117-V119 PolarHBondContact O-N 3.27Å; V119-F121 HydrophobicContact CB-CD1 4.47Å; V119-F121 HydrophobicContact CG2-CD1 4.02Å; V119-F121 HydrophobicContact CG2-CE1 3.96Å; V119-D137 CarbonylContact O-C 3.52Å; V119-Y138 WeakPolarHBondContact O-CA 3.37Å; V119-Y138 WeakPolarHBondContact O-CB 3.5Å; V119-Y138 PolarHBondContact O-N 2.99Å; V119-Y138 VanDerWaalsContact O-N 3.11Å
120N95.4Very high92.4Very high16 Ų1655.2 Ų55.29%0.08631%0.312CS..EExtended strand (participates in β ladder)trans-130129.2172.9-62.3-90.3000108.2G47 V48 I136 D137 Y138 F150G47-N120 CarbonylContact C-O 3.53Å; G47-N120 VanDerWaalsContact CA-O 3.24Å; G47-N120 WeakPolarHBondContact CA-O 3.39Å; V48-N120 HydrophobicContact CG2-CB 4.28Å; V48-N120 PolarHBondContact N-O 2.84Å; V48-N120 PolarHBondContact O-N 2.81Å; N120-I136 WeakPolarHBondContact CA-O 3.33Å; N120-D137 WeakPolarHBondContact OD1-CA 3.47Å; N120-Y138 WeakPolarHBondContact OD1-CD1 3.48Å; N120-Y138 PolarHBondContact OD1-N 3.03Å; N120-Y138 VanDerWaalsContact OD1-N 3.08Å; N120-F150 HydrophobicContact CB-CD1 3.86Å; N120-F150 HydrophobicContact CB-CD2 3.96Å; N120-F150 HydrophobicContact CB-CE1 3.48Å; N120-F150 VanDerWaalsContact CB-CE1 3.48Å; N120-F150 HydrophobicContact CB-CE2 3.58Å; N120-F150 HydrophobicContact CB-CG 4.09Å; N120-F150 HydrophobicContact CB-CZ 3.33Å; N120-F150 WeakPolarHBondContact ND2-CZ 3.48Å; N120-F150 VanDerWaalsContact OD1-CE2 3.23Å; N120-F150 WeakPolarHBondContact OD1-CE2 3.34Å; N120-F150 WeakPolarHBondContact OD1-CZ 3.44Å
121F96.3Very high92.6Very high0 Ų054.9 Ų54.90%031%0.311CS..EExtended strand (participates in β ladder)trans-150.4155.2-174.257.6-91.7000112.6M45 V46 M54 F57 A103 I107 V119 V123 I136M45-F121 HydrophobicContact CG-CB 3.98Å; M45-F121 HydrophobicContact CG-CD2 3.8Å; M45-F121 HydrophobicContact CG-CG 4.14Å; M45-F121 HydrophobicContact SD-CB 4.19Å; M45-F121 HydrophobicContact SD-CD1 4.45Å; M45-F121 HydrophobicContact SD-CD2 3.42Å; M45-F121 WeakPolarHBondContact SD-CD2 3.11Å; M45-F121 HydrophobicContact SD-CE2 3.81Å; M45-F121 HydrophobicContact SD-CG 3.78Å; M45-F121 HydrophobicContact SD-CZ 4.5Å; V46-F121 CarbonylContact O-C 3.45Å; V46-F121 WeakPolarHBondContact O-CA 3.49Å; V46-F121 VanDerWaalsContact O-CB 3.29Å; V46-F121 WeakPolarHBondContact O-CB 3.34Å; M54-F121 HydrophobicContact CE-CB 4.12Å; M54-F121 HydrophobicContact SD-CB 4.44Å; F57-F121 HydrophobicContact CD1-CE1 4.2Å; F57-F121 HydrophobicContact CE1-CD1 4.08Å; F57-F121 AromaticContact CE1-CE1 3.39Å; F57-F121 HydrophobicContact CE1-CE1 3.39Å; F57-F121 AromaticContact CE1-CZ 3.77Å; F57-F121 HydrophobicContact CE1-CZ 3.77Å; F57-F121 HydrophobicContact CZ-CE1 4.06Å; F57-F121 HydrophobicContact CZ-CZ 4.26Å; A103-F121 HydrophobicContact CB-CE2 3.8Å; A103-F121 HydrophobicContact CB-CZ 3.58Å; I107-F121 HydrophobicContact CD1-CE1 3.39Å; I107-F121 HydrophobicContact CD1-CZ 3.75Å; I107-F121 HydrophobicContact CG1-CE1 4.36Å; V119-F121 HydrophobicContact CB-CD1 4.47Å; V119-F121 HydrophobicContact CG2-CD1 4.02Å; V119-F121 HydrophobicContact CG2-CE1 3.96Å; F121-V123 HydrophobicContact CD2-CG2 3.76Å; F121-V123 HydrophobicContact CE2-CG2 3.77Å; F121-I136 HydrophobicContact CD2-CB 4.21Å; F121-I136 HydrophobicContact CD2-CD1 4.13Å; F121-I136 HydrophobicContact CE1-CB 4.21Å; F121-I136 HydrophobicContact CE1-CG2 4.14Å; F121-I136 HydrophobicContact CE2-CB 3.7Å; F121-I136 HydrophobicContact CE2-CD1 3.66Å; F121-I136 HydrophobicContact CE2-CG1 4Å; F121-I136 HydrophobicContact CE2-CG2 4.27Å; F121-I136 HydrophobicContact CZ-CB 3.68Å; F121-I136 HydrophobicContact CZ-CD1 4.43Å; F121-I136 HydrophobicContact CZ-CG1 4.28Å; F121-I136 HydrophobicContact CZ-CG2 3.73Å; F121-I136 PolarHBondContact N-O 3.2Å; F121-I136 PolarHBondContact O-N 3.24Å
122I97.5Very high92.9Very high0 Ų053.9 Ų53.90%030%0.303CS..EExtended strand (participates in β ladder)trans-108.7127.7172.3-59.8169.8000107.4L5 L16 M45 V46 V133 A134 L135 V148L5-I122 HydrophobicContact CB-CD1 3.71Å; L5-I122 HydrophobicContact CB-CG1 4.46Å; L16-I122 HydrophobicContact CD2-CG2 3.7Å; M45-I122 WeakPolarHBondContact CA-O 3.47Å; V46-I122 HydrophobicContact CG1-CB 3.85Å; V46-I122 PolarHBondContact N-O 2.85Å; V46-I122 PolarHBondContact O-N 3.4Å; I122-V133 HydrophobicContact CG2-CG2 3.66Å; I122-A134 CarbonylContact C-O 3.51Å; I122-A134 VanDerWaalsContact CA-O 3.28Å; I122-A134 WeakPolarHBondContact CA-O 3.47Å; I122-L135 HydrophobicContact CG1-CB 4.44Å; I122-L135 HydrophobicContact CG1-CD1 3.74Å; I122-V148 HydrophobicContact CD1-CG2 4.07Å; I122-V148 HydrophobicContact CG1-CG2 4.09Å; I122-V148 HydrophobicContact CG2-CG2 3.68Å
123V97.1Very high93.3Very high0 Ų043.3 Ų43.30%026%0.263CS..EExtended strand (participates in β ladder)trans-99122.7169.5-1790000107.8T43 M45 V99 A100 F121 V133 A134 I136T43-V123 HydrophobicContact CG2-CG1 3.95Å; M45-V123 HydrophobicContact CG-CG2 4.21Å; M45-V123 HydrophobicContact SD-CG2 4.39Å; V99-V123 HydrophobicContact CG1-CG1 4.36Å; A100-V123 HydrophobicContact CB-CB 4.38Å; A100-V123 HydrophobicContact CB-CG2 4.37Å; F121-V123 HydrophobicContact CD2-CG2 3.76Å; F121-V123 HydrophobicContact CE2-CG2 3.77Å; V123-V133 WeakPolarHBondContact O-CA 3.18Å; V123-A134 PolarHBondContact N-O 3.44Å; V123-A134 PolarHBondContact O-N 3.02Å; V123-I136 HydrophobicContact CG2-CD1 4Å
124G97Very high93.6Very high0 Ų039.8 Ų39.80%024%0.242CC..EExtended strand (participates in β ladder)trans-116.7138.5170.700000110T43 S44 Y132 I201T43-G124 WeakPolarHBondContact CA-O 3.35Å; S44-G124 PolarHBondContact N-O 3.36Å; S44-G124 PolarHBondContact O-N 2.77Å; G124-Y132 WeakPolarHBondContact CA-O 3.29Å; G124-I201 VanDerWaalsContact O-CD1 3.26Å; G124-I201 WeakPolarHBondContact O-CD1 3.31Å
125G96Very high94Very high0 Ų035.5 Ų35.50%020%0.203CC..EExtended strand (participates in β ladder)trans-162.8167.417700000113.5V14 K42 Y132V14-G125 WeakPolarHBondContact CG2-O 3.43Å; K42-G125 CarbonylContact O-C 3.57Å; K42-G125 WeakPolarHBondContact O-CA 3.47Å; G125-Y132 PolarHBondContact N-O 3.48Å; G125-Y132 PolarHBondContact O-N 2.81Å
126Y95Very high94.5Very high53 Ų5330.2 Ų30.221%0.20818%0.175CC..EExtended strand (participates in β ladder)trans-127.3127.9176.4-167.5-81.4000110.4E12 K42 P131 A203E12-Y126 WeakPolarHBondContact O-CE2 3.33Å; K42-Y126 WeakPolarHBondContact CB-O 3.45Å; K42-Y126 PolarHBondContact O-N 3.18Å; Y126-P131 HydrophobicContact CD2-CB 4.02Å; Y126-P131 HydrophobicContact CE2-CB 4.4Å; Y126-P131 HydrophobicContact CE2-CG 4.47Å; Y126-A203 HydrophobicContact CD1-CB 4.08Å; Y126-A203 HydrophobicContact CE1-CB 3.63Å
127D91.1Very high94.7Very high53 Ų5330 Ų3028%0.28317%0.172SC..EExtended strand (participates in β ladder)trans-131.6178.5177.1-168.84.2000109.9S95 P96 S129 G130S95-D127 WeakPolarHBondContact CB-OD2 3.4Å; P96-D127 HydrophobicContact CG-CB 4.27Å; D127-S129 PolarHBondContact O-N 3.17Å; D127-S129 VanDerWaalsContact O-N 3.14Å; D127-G130 PolarHBondContact N-O 3.14Å; D127-G130 VanDerWaalsContact N-O 3.17Å; D127-G130 WeakPolarHBondContact O-CA 3.42Å; D127-G130 PolarHBondContact O-N 3.46Å
128T89.3Confident95Very high136 Ų13633.4 Ų33.483%0.83418%0.184SC*.THydrogen-bonded Turntrans-49.6-29169.153.50000114.1G130T128-G130 PolarHBondContact O-N 2.93Å
129S90.8Very high95.1Very high118 Ų11834 Ų3483%0.82519%0.187SC*.THydrogen-bonded Turntrans-80-3.4174.6-57.10000113.6D127D127-S129 PolarHBondContact O-N 3.17Å; D127-S129 VanDerWaalsContact O-N 3.14Å
130G93.3Very high95Very high15 Ų1534.2 Ų34.216%0.15519%0.189CC..EExtended strand (participates in β ladder)trans99.3-167.1-17500000113.6D127 T128D127-G130 PolarHBondContact N-O 3.14Å; D127-G130 VanDerWaalsContact N-O 3.17Å; D127-G130 WeakPolarHBondContact O-CA 3.42Å; D127-G130 PolarHBondContact O-N 3.46Å; T128-G130 PolarHBondContact O-N 2.93Å
131P96.1Very high95Very high24 Ų2437 Ų3716%0.15621%0.206CC..EExtended strand (participates in β ladder)trans-72.4140.5-177.826.9-30.6000112K9 T10 K11 V14 Y126K9-P131 HydrophobicContact CB-CB 4.09Å; K9-P131 HydrophobicContact CB-CG 4.42Å; T10-P131 WeakPolarHBondContact O-CG 3.24Å; K11-P131 VanDerWaalsContact O-CD 3.3Å; K11-P131 WeakPolarHBondContact O-CD 3.32Å; K11-P131 WeakPolarHBondContact O-CG 3.38Å; V14-P131 HydrophobicContact CG2-CB 3.41Å; V14-P131 VanDerWaalsContact CG2-CB 3.41Å; Y126-P131 HydrophobicContact CD2-CB 4.02Å; Y126-P131 HydrophobicContact CE2-CB 4.4Å; Y126-P131 HydrophobicContact CE2-CG 4.47Å
132Y97.1Very high95Very high40 Ų4038.7 Ų38.716%0.15722%0.218CC..EExtended strand (participates in β ladder)trans-132134.1-177.9-179.1-99.2000110.4P96 K97 A100 G124 G125 A134P96-Y132 HydrophobicContact CB-CD1 3.68Å; P96-Y132 HydrophobicContact CB-CG 4.16Å; K97-Y132 HydrophobicContact CB-CE1 4.28Å; K97-Y132 HydrophobicContact CB-CE2 4.18Å; K97-Y132 HydrophobicContact CG-CE2 4.34Å; A100-Y132 HydrophobicContact CB-CE1 4Å; G124-Y132 WeakPolarHBondContact CA-O 3.29Å; G125-Y132 PolarHBondContact N-O 3.48Å; G125-Y132 PolarHBondContact O-N 2.81Å; Y132-A134 HydrophobicContact CE1-CB 3.7Å; Y132-A134 WeakPolarHBondContact OH-CB 3.28Å
133V97.3Very high94.8Very high0 Ų043.4 Ų43.40%024%0.238CC..EExtended strand (participates in β ladder)trans-136.6137.917273.30000110K9 V14 L16 I122 V123 T144 N145 V148K9-V133 HydrophobicContact CB-CG1 4.18Å; K9-V133 HydrophobicContact CD-CG1 4.27Å; K9-V133 HydrophobicContact CG-CG1 3.92Å; V14-V133 HydrophobicContact CG1-CB 4.36Å; V14-V133 HydrophobicContact CG1-CG2 4.43Å; L16-V133 HydrophobicContact CD2-CG2 4.36Å; I122-V133 HydrophobicContact CG2-CG2 3.66Å; V123-V133 WeakPolarHBondContact O-CA 3.18Å; V133-T144 PolarHBondContact O-OG1 2.91Å; V133-N145 WeakPolarHBondContact CG1-O 3.46Å; V133-V148 HydrophobicContact CG1-CG2 4.49Å; V133-V148 HydrophobicContact CG2-CG2 3.64Å
134A97.6Very high94.8Very high0 Ų046.6 Ų46.60%026%0.258CS..EExtended strand (participates in β ladder)trans-146.7138.1176.700000110.9A100 I122 V123 Y132 I136 F143A100-A134 HydrophobicContact CB-CB 4.46Å; I122-A134 CarbonylContact C-O 3.51Å; I122-A134 VanDerWaalsContact CA-O 3.28Å; I122-A134 WeakPolarHBondContact CA-O 3.47Å; V123-A134 PolarHBondContact N-O 3.44Å; V123-A134 PolarHBondContact O-N 3.02Å; Y132-A134 HydrophobicContact CE1-CB 3.7Å; Y132-A134 WeakPolarHBondContact OH-CB 3.28Å; A134-I136 HydrophobicContact CB-CD1 4.11Å; A134-F143 CarbonylContact C-O 3.54Å; A134-F143 WeakPolarHBondContact CA-O 3.22Å
135L97.3Very high94.6Very high23 Ų2349 Ų4912%0.1227%0.271CS..EExtended strand (participates in β ladder)trans-96131.3168.7172.766.4000109I122 C142 F143 V148 F150I122-L135 HydrophobicContact CG1-CB 4.44Å; I122-L135 HydrophobicContact CG1-CD1 3.74Å; L135-C142 WeakPolarHBondContact O-CA 3.21Å; L135-F143 PolarHBondContact N-O 2.95Å; L135-F143 PolarHBondContact O-N 2.97Å; L135-V148 HydrophobicContact CB-CB 3.9Å; L135-V148 HydrophobicContact CB-CG1 4.25Å; L135-V148 HydrophobicContact CB-CG2 4.12Å; L135-F150 HydrophobicContact CD1-CB 3.76Å; L135-F150 HydrophobicContact CD1-CD2 4.26Å; L135-F150 HydrophobicContact CD1-CG 4.31Å
136I96.7Very high94.6Very high0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-121.3123.8173.7-60.290.6000108.4A100 R104 I107 N120 F121 V123 A134 T141 C142A100-I136 HydrophobicContact CB-CD1 4.13Å; R104-I136 HydrophobicContact CB-CG2 4.36Å; I107-I136 HydrophobicContact CD1-CG2 3.53Å; N120-I136 WeakPolarHBondContact CA-O 3.33Å; F121-I136 HydrophobicContact CD2-CB 4.21Å; F121-I136 HydrophobicContact CD2-CD1 4.13Å; F121-I136 HydrophobicContact CE1-CB 4.21Å; F121-I136 HydrophobicContact CE1-CG2 4.14Å; F121-I136 HydrophobicContact CE2-CB 3.7Å; F121-I136 HydrophobicContact CE2-CD1 3.66Å; F121-I136 HydrophobicContact CE2-CG1 4Å; F121-I136 HydrophobicContact CE2-CG2 4.27Å; F121-I136 HydrophobicContact CZ-CB 3.68Å; F121-I136 HydrophobicContact CZ-CD1 4.43Å; F121-I136 HydrophobicContact CZ-CG1 4.28Å; F121-I136 HydrophobicContact CZ-CG2 3.73Å; F121-I136 PolarHBondContact N-O 3.2Å; F121-I136 PolarHBondContact O-N 3.24Å; V123-I136 HydrophobicContact CG2-CD1 4Å; A134-I136 HydrophobicContact CB-CD1 4.11Å; I136-T141 VanDerWaalsContact CA-O 3.3Å; I136-T141 WeakPolarHBondContact CA-O 3.41Å; I136-C142 HydrophobicContact CG1-CB 4.14Å
137D94.5Very high94.7Very high37 Ų3750.2 Ų50.220%0.19828%0.278CS..  trans-89.6170.4178.274.37.5000112.4V119 N120 L139 G140 T141V119-D137 CarbonylContact O-C 3.52Å; N120-D137 WeakPolarHBondContact OD1-CA 3.47Å; D137-L139 PolarHBondContact O-N 3.04Å; D137-L139 VanDerWaalsContact O-N 3.09Å; D137-L139 WeakPolarHBondContact OD1-CA 3.05Å; D137-L139 WeakPolarHBondContact OD1-CB 3.33Å; D137-L139 PolarHBondContact OD1-N 3.43Å; D137-G140 PolarHBondContact O-N 2.94Å; D137-G140 PolarHBondContact OD1-N 3.5Å; D137-T141 VanDerWaalsContact CG-CB 3.48Å; D137-T141 PolarHBondContact N-O 2.91Å; D137-T141 VanDerWaalsContact N-O 3.09Å; D137-T141 WeakPolarHBondContact OD1-CA 3.24Å; D137-T141 VanDerWaalsContact OD1-CB 3.28Å; D137-T141 WeakPolarHBondContact OD1-CB 3.28Å; D137-T141 PolarHBondContact OD1-N 2.84Å; D137-T141 PolarHBondContact OD1-OG1 2.88Å; D137-T141 VanDerWaalsContact OD2-CB 3.24Å; D137-T141 WeakPolarHBondContact OD2-CB 3.41Å; D137-T141 PolarHBondContact OD2-OG1 2.82Å; D137-T141 VanDerWaalsContact OD2-OG1 3.06Å
138Y93.1Very high94.9Very high107 Ų10747.7 Ų47.742%0.4226%0.264SS..THydrogen-bonded Turntrans-62.8-12.4177.568.3-84.3000114I107 L118 V119 N120I107-Y138 WeakPolarHBondContact CG2-O 3.13Å; L118-Y138 HydrophobicContact CD2-CD2 4.36Å; V119-Y138 WeakPolarHBondContact O-CA 3.37Å; V119-Y138 WeakPolarHBondContact O-CB 3.5Å; V119-Y138 PolarHBondContact O-N 2.99Å; V119-Y138 VanDerWaalsContact O-N 3.11Å; N120-Y138 WeakPolarHBondContact OD1-CD1 3.48Å; N120-Y138 PolarHBondContact OD1-N 3.03Å; N120-Y138 VanDerWaalsContact OD1-N 3.08Å
139L93.8Very high95.2Very high93 Ų9341.4 Ų41.449%0.48723%0.225SC..THydrogen-bonded Turntrans-93.6-0.5174.6-62.6176.6000112.4L111 D137 T141L111-L139 VanDerWaalsContact CD1-C 3.41Å; L111-L139 WeakPolarHBondContact CD1-O 3.38Å; D137-L139 PolarHBondContact O-N 3.04Å; D137-L139 VanDerWaalsContact O-N 3.09Å; D137-L139 WeakPolarHBondContact OD1-CA 3.05Å; D137-L139 WeakPolarHBondContact OD1-CB 3.33Å; D137-L139 PolarHBondContact OD1-N 3.43Å; L139-T141 VanDerWaalsContact C-N 3.29Å
140G92.6Very high95.4Very high3 Ų337.4 Ų37.43%0.03119%0.193CC..  trans73.320.4-176.200000113.3R104 D137R104-G140 VanDerWaalsContact CG-O 3.29Å; R104-G140 WeakPolarHBondContact CG-O 3.44Å; R104-G140 PolarHBondContact NE-O 2.74Å; D137-G140 PolarHBondContact O-N 2.94Å; D137-G140 PolarHBondContact OD1-N 3.5Å
141T95.2Very high95.3Very high75 Ų7537.1 Ų37.146%0.4619%0.191SC..  trans-73.2132.5166.1-46.90000108.3I136 D137 L139I136-T141 VanDerWaalsContact CA-O 3.3Å; I136-T141 WeakPolarHBondContact CA-O 3.41Å; D137-T141 VanDerWaalsContact CG-CB 3.48Å; D137-T141 PolarHBondContact N-O 2.91Å; D137-T141 VanDerWaalsContact N-O 3.09Å; D137-T141 WeakPolarHBondContact OD1-CA 3.24Å; D137-T141 VanDerWaalsContact OD1-CB 3.28Å; D137-T141 WeakPolarHBondContact OD1-CB 3.28Å; D137-T141 PolarHBondContact OD1-N 2.84Å; D137-T141 PolarHBondContact OD1-OG1 2.88Å; D137-T141 VanDerWaalsContact OD2-CB 3.24Å; D137-T141 WeakPolarHBondContact OD2-CB 3.41Å; D137-T141 PolarHBondContact OD2-OG1 2.82Å; D137-T141 VanDerWaalsContact OD2-OG1 3.06Å; L139-T141 VanDerWaalsContact C-N 3.29Å
142C95.7Very high95Very high35 Ų3539.9 Ų39.924%0.23620%0.198CC..EExtended strand (participates in β ladder)trans-115.2123.7176.4176.50000109L135 I136L135-C142 WeakPolarHBondContact O-CA 3.21Å; I136-C142 HydrophobicContact CG1-CB 4.14Å
143F95Very high94.6Very high99 Ų9938 Ų3843%0.43419%0.191SC..EExtended strand (participates in β ladder)trans-119.6128.7177.1179-108.5000109.2A134 L135 N145 V148A134-F143 CarbonylContact C-O 3.54Å; A134-F143 WeakPolarHBondContact CA-O 3.22Å; L135-F143 PolarHBondContact N-O 2.95Å; L135-F143 PolarHBondContact O-N 2.97Å; F143-N145 HydrophobicContact CE1-CB 3.66Å; F143-N145 HydrophobicContact CZ-CB 3.74Å; F143-V148 HydrophobicContact CD1-CG1 3.82Å; F143-V148 HydrophobicContact CE1-CG1 4.03Å
144T95.6Very high94.4Very high68 Ų6838.4 Ų38.442%0.41720%0.195SC..EExtended strand (participates in β ladder)trans-124.7133.4178.6-174.30000108.6V133V133-T144 PolarHBondContact O-OG1 2.91Å
145N94Very high94.1Very high50 Ų5045.9 Ų45.927%0.26723%0.227SC..  trans-157.2-178.3180-150.128.2000109.9K9 V133 F143 Y147 V148K9-N145 WeakPolarHBondContact CE-O 3.12Å; V133-N145 WeakPolarHBondContact CG1-O 3.46Å; F143-N145 HydrophobicContact CE1-CB 3.66Å; F143-N145 HydrophobicContact CZ-CB 3.74Å; N145-Y147 VanDerWaalsContact C-N 3.28Å; N145-Y147 PolarHBondContact O-N 2.97Å; N145-V148 HydrophobicContact CB-CG1 4.24Å
146E95.7Very high93.8Very high56 Ų5647.5 Ų47.526%0.26223%0.233SC..SBendtrans-61.1-37.5172.1-69.767.3-132.300112.9M8 K9 Y165M8-E146 CarbonylContact C-O 3.57Å; M8-E146 WeakPolarHBondContact CA-O 3.28Å; K9-E146 VanDerWaalsContact CE-CA 3.44Å; K9-E146 WeakPolarHBondContact CG-O 3.33Å; K9-E146 PolarHBondContact N-O 3.39Å; K9-E146 IonicContact NZ-OE1 3.04Å; E146-Y165 HydrophobicContact CB-CD1 4.43Å; E146-Y165 HydrophobicContact CB-CE1 3.71Å; E146-Y165 HydrophobicContact CB-CE2 3.97Å; E146-Y165 VanDerWaalsContact CB-CZ 3.45Å; E146-Y165 WeakPolarHBondContact CB-OH 3.47Å; E146-Y165 HydrophobicContact CG-CE1 3.66Å; E146-Y165 VanDerWaalsContact CG-OH 3.32Å; E146-Y165 WeakPolarHBondContact CG-OH 3.47Å
147Y96.4Very high93.7Very high23 Ų2347.5 Ų47.59%0.0923%0.233CC..EExtended strand (participates in β ladder)trans-140.7144.1174.645.4-88.5000109.5G7 N145 Y158 L161 D162 Y165G7-Y147 CarbonylContact O-C 3.51Å; G7-Y147 WeakPolarHBondContact O-CA 3.5Å; N145-Y147 VanDerWaalsContact C-N 3.28Å; N145-Y147 PolarHBondContact O-N 2.97Å; Y147-Y158 AromaticContact CD2-CD1 3.97Å; Y147-Y158 HydrophobicContact CD2-CD1 3.97Å; Y147-Y158 HydrophobicContact CD2-CE1 4.1Å; Y147-Y158 AromaticContact CE2-CD1 3.91Å; Y147-Y158 HydrophobicContact CE2-CD1 3.91Å; Y147-Y158 HydrophobicContact CE2-CE1 4.38Å; Y147-L161 HydrophobicContact CD1-CB 4.38Å; Y147-L161 HydrophobicContact CD2-CB 3.79Å; Y147-L161 HydrophobicContact CD2-CD1 3.59Å; Y147-L161 HydrophobicContact CD2-CG 4.29Å; Y147-L161 HydrophobicContact CE1-CB 4.37Å; Y147-L161 HydrophobicContact CE2-CB 3.73Å; Y147-L161 HydrophobicContact CE2-CD1 4.29Å; Y147-L161 HydrophobicContact CG-CB 4.13Å; Y147-L161 HydrophobicContact CG-CD1 3.97Å; Y147-D162 PolarHBondContact OH-OD1 3.33Å; Y147-Y165 HydrophobicContact CD1-CD1 4.37Å; Y147-Y165 AromaticContact CD1-CD2 3.83Å; Y147-Y165 HydrophobicContact CD1-CD2 3.83Å; Y147-Y165 HydrophobicContact CD1-CE2 4.32Å; Y147-Y165 AromaticContact CD1-CG 3.86Å; Y147-Y165 HydrophobicContact CD1-CG 3.86Å; Y147-Y165 HydrophobicContact CE1-CD1 4.07Å; Y147-Y165 HydrophobicContact CE1-CD2 4.29Å; Y147-Y165 AromaticContact CE1-CG 3.83Å; Y147-Y165 HydrophobicContact CE1-CG 3.83Å
148V96.6Very high93.7Very high0 Ų049 Ų490%024%0.237CC..EExtended strand (participates in β ladder)trans-137141.4178.3-61.70000108.7G7 I122 V133 L135 F143 N145G7-V148 PolarHBondContact N-O 2.79Å; G7-V148 PolarHBondContact O-N 3.33Å; G7-V148 VanDerWaalsContact O-O 3.12Å; I122-V148 HydrophobicContact CD1-CG2 4.07Å; I122-V148 HydrophobicContact CG1-CG2 4.09Å; I122-V148 HydrophobicContact CG2-CG2 3.68Å; V133-V148 HydrophobicContact CG1-CG2 4.49Å; V133-V148 HydrophobicContact CG2-CG2 3.64Å; L135-V148 HydrophobicContact CB-CB 3.9Å; L135-V148 HydrophobicContact CB-CG1 4.25Å; L135-V148 HydrophobicContact CB-CG2 4.12Å; F143-V148 HydrophobicContact CD1-CG1 3.82Å; F143-V148 HydrophobicContact CE1-CG1 4.03Å; N145-V148 HydrophobicContact CB-CG1 4.24Å
149M95.3Very high93.7Very high4 Ų447.7 Ų47.72%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-138.4147.1178.6-65.8-170.86700110.6Y4 L5 F6 A154 C157 Y158 L161Y4-M149 HydrophobicContact CD2-CE 4.12Å; Y4-M149 HydrophobicContact CE1-CE 4.48Å; Y4-M149 HydrophobicContact CE2-CE 3.32Å; L5-M149 VanDerWaalsContact O-CA 3.28Å; L5-M149 WeakPolarHBondContact O-CA 3.42Å; F6-M149 HydrophobicContact CB-CE 4.48Å; F6-M149 HydrophobicContact CD2-CE 3.81Å; F6-M149 HydrophobicContact CD2-CG 3.74Å; F6-M149 HydrophobicContact CD2-SD 3.62Å; F6-M149 HydrophobicContact CE2-CG 4.36Å; F6-M149 HydrophobicContact CE2-SD 4.04Å; F6-M149 HydrophobicContact CG-CG 4.44Å; M149-A154 HydrophobicContact CB-CB 3.6Å; M149-C157 HydrophobicContact CE-CB 3.55Å; M149-C157 HydrophobicContact SD-CB 3.23Å; M149-C157 WeakPolarHBondContact SD-CB 3.42Å; M149-Y158 HydrophobicContact CB-CE1 4.35Å; M149-Y158 HydrophobicContact CB-CE2 4.44Å; M149-Y158 PolarHBondContact N-OH 3.14Å; M149-Y158 PolarHBondContact O-OH 2.82Å; M149-L161 HydrophobicContact CG-CD1 4.23Å; M149-L161 HydrophobicContact SD-CD1 3.58Å; M149-L161 VanDerWaalsContact SD-CD1 3.58Å
150F94.1Very high93.8Very high33 Ų3344.8 Ų44.815%0.14523%0.228CC..EExtended strand (participates in β ladder)trans-128.8147.6174.9-178.9-95.2000111.5L5 V48 N120 L135L5-F150 HydrophobicContact CB-CB 4.1Å; L5-F150 HydrophobicContact CD1-CB 4.28Å; L5-F150 HydrophobicContact CD1-CD1 4.07Å; L5-F150 HydrophobicContact CG-CD1 4.47Å; L5-F150 PolarHBondContact N-O 3.26Å; L5-F150 VanDerWaalsContact N-O 3.08Å; L5-F150 PolarHBondContact O-N 2.77Å; V48-F150 HydrophobicContact CG2-CD1 3.78Å; V48-F150 HydrophobicContact CG2-CE1 3.5Å; N120-F150 HydrophobicContact CB-CD1 3.86Å; N120-F150 HydrophobicContact CB-CD2 3.96Å; N120-F150 HydrophobicContact CB-CE1 3.48Å; N120-F150 VanDerWaalsContact CB-CE1 3.48Å; N120-F150 HydrophobicContact CB-CE2 3.58Å; N120-F150 HydrophobicContact CB-CG 4.09Å; N120-F150 HydrophobicContact CB-CZ 3.33Å; N120-F150 WeakPolarHBondContact ND2-CZ 3.48Å; N120-F150 VanDerWaalsContact OD1-CE2 3.23Å; N120-F150 WeakPolarHBondContact OD1-CE2 3.34Å; N120-F150 WeakPolarHBondContact OD1-CZ 3.44Å; L135-F150 HydrophobicContact CD1-CB 3.76Å; L135-F150 HydrophobicContact CD1-CD2 4.26Å; L135-F150 HydrophobicContact CD1-CG 4.31Å
151G90.8Very high93.9Very high10 Ų1044.6 Ų44.610%0.10323%0.226CC..SBendtrans91.4-178.6-176.900000113.4M1 N3 G153 A154M1-G151 WeakPolarHBondContact O-CA 3.48Å; N3-G151 WeakPolarHBondContact O-CA 3.27Å; G151-G153 PolarHBondContact O-N 2.81Å; G151-A154 VanDerWaalsContact O-CB 3.22Å; G151-A154 WeakPolarHBondContact O-CB 3.45Å; G151-A154 PolarHBondContact O-N 2.98Å; G151-A154 VanDerWaalsContact O-N 3.1Å
152Y91Very high93.9Very high81 Ų8146.2 Ų46.232%0.31823%0.232SC..THydrogen-bonded Turntrans-64.8-24.3-174-72-60.9000113.8M1 L2 A154 F155 F189M1-Y152 HydrophobicContact CB-CD2 4.13Å; M1-Y152 HydrophobicContact CB-CE2 3.56Å; M1-Y152 VanDerWaalsContact O-CD2 3.24Å; M1-Y152 WeakPolarHBondContact O-CD2 3.3Å; M1-Y152 PolarHBondContact O-N 3.37Å; M1-Y152 HydrophobicContact SD-CE1 4.36Å; L2-Y152 HydrophobicContact CD2-CD2 4.16Å; L2-Y152 HydrophobicContact CD2-CE2 3.91Å; Y152-A154 PolarHBondContact O-N 3.33Å; Y152-F155 AromaticContact CD1-CD2 3.95Å; Y152-F155 HydrophobicContact CD1-CD2 3.95Å; Y152-F155 AromaticContact CD1-CE2 3.71Å; Y152-F155 HydrophobicContact CD1-CE2 3.71Å; Y152-F155 HydrophobicContact CE1-CE2 4.26Å; Y152-F155 WeakPolarHBondContact O-CD2 3.34Å; Y152-F155 PolarHBondContact O-N 3.49Å; Y152-F189 AromaticContact CD2-CE2 3.75Å; Y152-F189 HydrophobicContact CD2-CE2 3.75Å; Y152-F189 AromaticContact CD2-CZ 3.78Å; Y152-F189 HydrophobicContact CD2-CZ 3.78Å; Y152-F189 AromaticContact CG-CE2 3.81Å; Y152-F189 HydrophobicContact CG-CE2 3.81Å; Y152-F189 HydrophobicContact CG-CZ 4.19Å
153G88.6Confident93.9Very high1 Ų155.1 Ų55.11%0.0126%0.261CS..Hα-helixtrans-57.6-31.3173.800000113.3G151 F155 F156 C157G151-G153 PolarHBondContact O-N 2.81Å; G153-F155 VanDerWaalsContact C-N 3.27Å; G153-F155 PolarHBondContact O-N 2.96Å; G153-F156 PolarHBondContact O-N 2.96Å; G153-F156 VanDerWaalsContact O-N 3.15Å; G153-C157 WeakPolarHBondContact O-CB 3.38Å; G153-C157 PolarHBondContact O-N 3.1Å; G153-C157 PolarHBondContact O-SG 3.08Å
154A92.1Very high93.9Very high8 Ų852.2 Ų52.27%0.06625%0.25CC..Hα-helixtrans-58.9-37.3-179.300000112.6M149 G151 Y152 F156 C157 Y158M149-A154 HydrophobicContact CB-CB 3.6Å; G151-A154 VanDerWaalsContact O-CB 3.22Å; G151-A154 WeakPolarHBondContact O-CB 3.45Å; G151-A154 PolarHBondContact O-N 2.98Å; G151-A154 VanDerWaalsContact O-N 3.1Å; Y152-A154 PolarHBondContact O-N 3.33Å; A154-F156 VanDerWaalsContact C-N 3.25Å; A154-F156 PolarHBondContact O-N 3.2Å; A154-C157 PolarHBondContact O-N 3.23Å; A154-Y158 HydrophobicContact CB-CD2 4.04Å; A154-Y158 HydrophobicContact CB-CE2 3.61Å; A154-Y158 WeakPolarHBondContact O-CD2 3.47Å; A154-Y158 PolarHBondContact O-N 2.48Å; A154-Y158 VanDerWaalsContact O-N 3.08Å
155F92Very high93.8Very high157 Ų15751 Ų5169%0.68924%0.238SC*.Hα-helixtrans-62.8-30.3179.7-65.3-70.6000113.4Y152 G153Y152-F155 AromaticContact CD1-CD2 3.95Å; Y152-F155 HydrophobicContact CD1-CD2 3.95Å; Y152-F155 AromaticContact CD1-CE2 3.71Å; Y152-F155 HydrophobicContact CD1-CE2 3.71Å; Y152-F155 HydrophobicContact CE1-CE2 4.26Å; Y152-F155 WeakPolarHBondContact O-CD2 3.34Å; Y152-F155 PolarHBondContact O-N 3.49Å; G153-F155 VanDerWaalsContact C-N 3.27Å; G153-F155 PolarHBondContact O-N 2.96Å
156F91.4Very high93.8Very high57 Ų5754.8 Ų54.825%0.2525%0.248CC..Hα-helixtrans-87.9-28.7178.5-56.5-67.8000112.4G153 A154 I160 V185 R188 F189G153-F156 PolarHBondContact O-N 2.96Å; G153-F156 VanDerWaalsContact O-N 3.15Å; A154-F156 VanDerWaalsContact C-N 3.25Å; A154-F156 PolarHBondContact O-N 3.2Å; F156-I160 WeakPolarHBondContact O-CD1 3.35Å; F156-I160 WeakPolarHBondContact O-CG1 3.17Å; F156-V185 HydrophobicContact CB-CG2 4.32Å; F156-V185 HydrophobicContact CD2-CG2 4.34Å; F156-R188 HydrophobicContact CD1-CB 4.12Å; F156-R188 HydrophobicContact CE1-CB 3.76Å; F156-R188 HydrophobicContact CE1-CG 4.43Å; F156-R188 HydrophobicContact CZ-CB 3.98Å; F156-F189 HydrophobicContact CE2-CB 4.36Å; F156-F189 HydrophobicContact CE2-CD2 4.27Å
157C94.1Very high93.7Very high0 Ų056.9 Ų56.90%026%0.258CS..Hα-helixtrans-96.1-28.9-167.2-65.10000114.1M149 G153 A154 S159 I160 L161 C181 V185M149-C157 HydrophobicContact CE-CB 3.55Å; M149-C157 HydrophobicContact SD-CB 3.23Å; M149-C157 WeakPolarHBondContact SD-CB 3.42Å; G153-C157 WeakPolarHBondContact O-CB 3.38Å; G153-C157 PolarHBondContact O-N 3.1Å; G153-C157 PolarHBondContact O-SG 3.08Å; A154-C157 PolarHBondContact O-N 3.23Å; C157-S159 PolarHBondContact O-N 3.21Å; C157-I160 WeakPolarHBondContact O-CA 3.21Å; C157-I160 WeakPolarHBondContact O-CB 3.39Å; C157-I160 PolarHBondContact O-N 3.22Å; C157-L161 HydrophobicContact CB-CD1 4.49Å; C157-L161 WeakPolarHBondContact O-CG 3.48Å; C157-L161 PolarHBondContact O-N 3.27Å; C157-C181 HydrophobicContact CB-CB 4.11Å; C157-C181 VanDerWaalsContact SG-CB 3.56Å; C157-C181 PolarHBondContact SG-O 2.86Å; C157-C181 VanDerWaalsContact SG-O 3.41Å; C157-V185 WeakPolarHBondContact SG-CG2 3.41Å
158Y94.7Very high93.6Very high69 Ų6962.7 Ų62.727%0.27129%0.286SS..Hα-helixtrans-57-46.8-178.3-81.6-55.6000112.5Y147 M149 A154 I160 L161 D162Y147-Y158 AromaticContact CD2-CD1 3.97Å; Y147-Y158 HydrophobicContact CD2-CD1 3.97Å; Y147-Y158 HydrophobicContact CD2-CE1 4.1Å; Y147-Y158 AromaticContact CE2-CD1 3.91Å; Y147-Y158 HydrophobicContact CE2-CD1 3.91Å; Y147-Y158 HydrophobicContact CE2-CE1 4.38Å; M149-Y158 HydrophobicContact CB-CE1 4.35Å; M149-Y158 HydrophobicContact CB-CE2 4.44Å; M149-Y158 PolarHBondContact N-OH 3.14Å; M149-Y158 PolarHBondContact O-OH 2.82Å; A154-Y158 HydrophobicContact CB-CD2 4.04Å; A154-Y158 HydrophobicContact CB-CE2 3.61Å; A154-Y158 WeakPolarHBondContact O-CD2 3.47Å; A154-Y158 PolarHBondContact O-N 2.48Å; A154-Y158 VanDerWaalsContact O-N 3.08Å; Y158-I160 PolarHBondContact O-N 3.27Å; Y158-L161 PolarHBondContact O-N 3.22Å; Y158-D162 PolarHBondContact O-N 3.37Å
159S93.4Very high93.5Very high80 Ų8062.9 Ų62.956%0.55929%0.287SS*.Hα-helixtrans-63.5-26.4177.558.10000113.8C157C157-S159 PolarHBondContact O-N 3.21Å
160I94.9Very high93.5Very high31 Ų3166.3 Ų66.316%0.15931%0.308CS..Hα-helixtrans-77.4-47.6176.1-58.7-179000109.3F156 C157 Y158 D162 R163 I164 E184F156-I160 WeakPolarHBondContact O-CD1 3.35Å; F156-I160 WeakPolarHBondContact O-CG1 3.17Å; C157-I160 WeakPolarHBondContact O-CA 3.21Å; C157-I160 WeakPolarHBondContact O-CB 3.39Å; C157-I160 PolarHBondContact O-N 3.22Å; Y158-I160 PolarHBondContact O-N 3.27Å; I160-D162 PolarHBondContact O-N 2.9Å; I160-R163 WeakPolarHBondContact O-CB 3.09Å; I160-R163 PolarHBondContact O-N 3.37Å; I160-I164 HydrophobicContact CG2-CD1 3.67Å; I160-I164 HydrophobicContact CG2-CG1 4.31Å; I160-I164 WeakPolarHBondContact O-CG1 3.28Å; I160-I164 PolarHBondContact O-N 3.48Å; I160-E184 HydrophobicContact CD1-CB 3.69Å; I160-E184 HydrophobicContact CD1-CG 3.56Å
161L95.4Very high93.5Very high0 Ų066.9 Ų66.90%032%0.315CS..Hα-helixtrans-60-45.2178.9-70169.1000111.4F6 Y147 M149 C157 Y158 R163 I164 Y165 I177F6-L161 HydrophobicContact CE2-CD1 3.82Å; F6-L161 HydrophobicContact CE2-CD2 3.85Å; F6-L161 HydrophobicContact CE2-CG 4.4Å; F6-L161 HydrophobicContact CZ-CD2 4.05Å; Y147-L161 HydrophobicContact CD1-CB 4.38Å; Y147-L161 HydrophobicContact CD2-CB 3.79Å; Y147-L161 HydrophobicContact CD2-CD1 3.59Å; Y147-L161 HydrophobicContact CD2-CG 4.29Å; Y147-L161 HydrophobicContact CE1-CB 4.37Å; Y147-L161 HydrophobicContact CE2-CB 3.73Å; Y147-L161 HydrophobicContact CE2-CD1 4.29Å; Y147-L161 HydrophobicContact CG-CB 4.13Å; Y147-L161 HydrophobicContact CG-CD1 3.97Å; M149-L161 HydrophobicContact CG-CD1 4.23Å; M149-L161 HydrophobicContact SD-CD1 3.58Å; M149-L161 VanDerWaalsContact SD-CD1 3.58Å; C157-L161 HydrophobicContact CB-CD1 4.49Å; C157-L161 WeakPolarHBondContact O-CG 3.48Å; C157-L161 PolarHBondContact O-N 3.27Å; Y158-L161 PolarHBondContact O-N 3.22Å; L161-R163 PolarHBondContact O-N 2.94Å; L161-I164 PolarHBondContact O-N 2.86Å; L161-Y165 WeakPolarHBondContact O-CB 3.09Å; L161-Y165 PolarHBondContact O-N 2.99Å; L161-I177 HydrophobicContact CD2-CG2 3.58Å
162D95Very high93.8Very high109 Ų10972.2 Ų72.258%0.58334%0.341SS*.Hα-helixtrans-52.1-31175.2-68.5-5.4000112.4Y147 Y158 I160Y147-D162 PolarHBondContact OH-OD1 3.33Å; Y158-D162 PolarHBondContact O-N 3.37Å; I160-D162 PolarHBondContact O-N 2.9Å
163R95.2Very high94Very high222 Ų22271.2 Ų71.284%0.83834%0.339SS*.Hα-helixtrans-88.9-38.3-178.5-177.5178.9176.8-176.30.3113.9I160 L161I160-R163 WeakPolarHBondContact O-CB 3.09Å; I160-R163 PolarHBondContact O-N 3.37Å; L161-R163 PolarHBondContact O-N 2.94Å
164I94.8Very high94.3Very high38 Ų3871.2 Ų71.220%0.19534%0.339CS..Hα-helixtrans-106.2-14.5-168.171.1-179.1000113.9I160 L161 I177 K180I160-I164 HydrophobicContact CG2-CD1 3.67Å; I160-I164 HydrophobicContact CG2-CG1 4.31Å; I160-I164 WeakPolarHBondContact O-CG1 3.28Å; I160-I164 PolarHBondContact O-N 3.48Å; L161-I164 PolarHBondContact O-N 2.86Å; I164-I177 HydrophobicContact CD1-CB 4.14Å; I164-I177 HydrophobicContact CD1-CG1 3.97Å; I164-I177 HydrophobicContact CD1-CG2 3.83Å; I164-I177 HydrophobicContact CG1-CG1 4.03Å; I164-I177 HydrophobicContact CG1-CG2 4.05Å; I164-K180 HydrophobicContact CD1-CB 4.31Å; I164-K180 HydrophobicContact CD1-CD 4.16Å
165Y95.1Very high94.4Very high42 Ų4272.2 Ų72.217%0.16534%0.343CS..  trans-62.1138.2-179172.5-99000111.4M8 K9 E146 Y147 L161 E167M8-Y165 HydrophobicContact CG-CD2 4.05Å; M8-Y165 HydrophobicContact CG-CE2 3.9Å; M8-Y165 HydrophobicContact SD-CD2 3.79Å; M8-Y165 HydrophobicContact SD-CE2 4.15Å; K9-Y165 WeakPolarHBondContact O-CE2 3.42Å; K9-Y165 PolarHBondContact O-OH 3.28Å; K9-Y165 VanDerWaalsContact O-OH 3.09Å; E146-Y165 HydrophobicContact CB-CD1 4.43Å; E146-Y165 HydrophobicContact CB-CE1 3.71Å; E146-Y165 HydrophobicContact CB-CE2 3.97Å; E146-Y165 VanDerWaalsContact CB-CZ 3.45Å; E146-Y165 WeakPolarHBondContact CB-OH 3.47Å; E146-Y165 HydrophobicContact CG-CE1 3.66Å; E146-Y165 VanDerWaalsContact CG-OH 3.32Å; E146-Y165 WeakPolarHBondContact CG-OH 3.47Å; Y147-Y165 HydrophobicContact CD1-CD1 4.37Å; Y147-Y165 AromaticContact CD1-CD2 3.83Å; Y147-Y165 HydrophobicContact CD1-CD2 3.83Å; Y147-Y165 HydrophobicContact CD1-CE2 4.32Å; Y147-Y165 AromaticContact CD1-CG 3.86Å; Y147-Y165 HydrophobicContact CD1-CG 3.86Å; Y147-Y165 HydrophobicContact CE1-CD1 4.07Å; Y147-Y165 HydrophobicContact CE1-CD2 4.29Å; Y147-Y165 AromaticContact CE1-CG 3.83Å; Y147-Y165 HydrophobicContact CE1-CG 3.83Å; L161-Y165 WeakPolarHBondContact O-CB 3.09Å; L161-Y165 PolarHBondContact O-N 2.99Å; Y165-E167 HydrophobicContact CE1-CG 3.87Å
166R93.9Very high94.6Very high130 Ų13068.9 Ų68.949%0.49133%0.329SS..  trans-140.4130.9174.5-71.2-178-79157.71.3108.8E168 A169 E173R166-E168 PolarHBondContact O-N 2.93Å; R166-A169 HydrophobicContact CB-CB 4.34Å; R166-A169 WeakPolarHBondContact O-CB 3.49Å; R166-A169 PolarHBondContact O-N 3.21Å; R166-E173 IonicContact CZ-OE1 2.97Å; R166-E173 IonicContact NH1-OE1 3.86Å; R166-E173 PolarHBondContact NH1-OE1 3.44Å; R166-E173 VanDerWaalsContact NH2-CD 3.27Å; R166-E173 IonicContact NH2-OE1 2.69Å; R166-E173 PolarHBondContact NH2-OE1 3.5Å; R166-E173 IonicContact NH2-OE2 2.7Å
167E93.5Very high94.8Very high100 Ų10066.6 Ų66.647%0.46732%0.319SS..THydrogen-bonded Turntrans-63.5-31.7179.5-63.4-177.117700113T10 K11 Y165 A169T10-E167 CarbonylContact C-O 3.53Å; T10-E167 WeakPolarHBondContact CA-O 3.5Å; T10-E167 WeakPolarHBondContact CB-O 3.2Å; K11-E167 WeakPolarHBondContact CE-OE2 3.19Å; K11-E167 HydrophobicContact CG-CB 4.15Å; K11-E167 PolarHBondContact N-O 2.92Å; K11-E167 IonicContact NZ-OE2 3.61Å; Y165-E167 HydrophobicContact CE1-CG 3.87Å; E167-A169 VanDerWaalsContact C-N 3.35Å
168E94.8Very high94.8Very high145 Ų14566.6 Ų66.668%0.67832%0.32SS*.THydrogen-bonded Turntrans-97.119.6-178.8-65.1177.4-176.300112.4K11 R166 T170K11-E168 HydrophobicContact CD-CG 3.87Å; K11-E168 IonicContact NZ-OE1 3.85Å; K11-E168 PolarHBondContact NZ-OE1 3.46Å; R166-E168 PolarHBondContact O-N 2.93Å; E168-T170 PolarHBondContact O-N 2.9Å
169A93.2Very high94.8Very high3 Ų366.4 Ų66.43%0.02532%0.32CS..  trans-60.5131.8177.200000110.7T10 F13 R166 E167 E173 A174T10-A169 HydrophobicContact CG2-CB 4.25Å; F13-A169 WeakPolarHBondContact CE1-O 3.45Å; F13-A169 VanDerWaalsContact CZ-O 3.29Å; F13-A169 WeakPolarHBondContact CZ-O 3.2Å; R166-A169 HydrophobicContact CB-CB 4.34Å; R166-A169 WeakPolarHBondContact O-CB 3.49Å; R166-A169 PolarHBondContact O-N 3.21Å; E167-A169 VanDerWaalsContact C-N 3.35Å; A169-E173 WeakPolarHBondContact CA-OE2 3.32Å; A169-E173 HydrophobicContact CB-CB 4.21Å; A169-A174 HydrophobicContact CB-CB 4.46Å
170T95.8Very high94.9Very high76 Ų7667.8 Ų67.847%0.46632%0.316SS..  trans-66.3164.6168.961.30000110.8E168 D172 E173 A174E168-T170 PolarHBondContact O-N 2.9Å; T170-D172 VanDerWaalsContact C-N 3.26Å; T170-D172 PolarHBondContact O-N 2.88Å; T170-E173 PolarHBondContact N-OE2 3.46Å; T170-E173 PolarHBondContact O-N 3.13Å; T170-E173 WeakPolarHBondContact OG1-CB 3.47Å; T170-E173 VanDerWaalsContact OG1-CG 3.27Å; T170-E173 WeakPolarHBondContact OG1-CG 3.45Å; T170-E173 PolarHBondContact OG1-N 3.31Å; T170-E173 PolarHBondContact OG1-OE2 3.47Å; T170-A174 VanDerWaalsContact O-CB 3.28Å; T170-A174 WeakPolarHBondContact O-CB 3.32Å; T170-A174 PolarHBondContact O-N 2.85Å
171V94.9Very high94.8Very high46 Ų4666.3 Ų66.328%0.27931%0.309SS..Hα-helixtrans-56.2-42.6178.1177.80000111.2F13 A174 I175 L200F13-V171 HydrophobicContact CD1-CG2 4.02Å; F13-V171 HydrophobicContact CE1-CG2 3.71Å; F13-V171 HydrophobicContact CE2-CG2 4.44Å; F13-V171 HydrophobicContact CZ-CB 4.42Å; F13-V171 HydrophobicContact CZ-CG2 3.94Å; V171-A174 PolarHBondContact O-N 3.46Å; V171-I175 HydrophobicContact CG1-CD1 3.95Å; V171-I175 VanDerWaalsContact O-CG1 3.27Å; V171-I175 WeakPolarHBondContact O-CG1 3.23Å; V171-I175 PolarHBondContact O-N 3.19Å; V171-L200 HydrophobicContact CG1-CD1 4.43Å; V171-L200 HydrophobicContact CG1-CD2 4.17Å; V171-L200 HydrophobicContact CG2-CD1 4.32Å; V171-L200 HydrophobicContact CG2-CD2 4.19Å
172D95.3Very high94.8Very high122 Ų12266.3 Ų66.365%0.65231%0.309SS*.Hα-helixtrans-65.8-44.8178.9-64.9-33.9000111.9T170 A174 I175 E176T170-D172 VanDerWaalsContact C-N 3.26Å; T170-D172 PolarHBondContact O-N 2.88Å; D172-A174 VanDerWaalsContact C-N 3.29Å; D172-A174 PolarHBondContact O-N 3.07Å; D172-I175 PolarHBondContact O-N 3.42Å; D172-E176 WeakPolarHBondContact O-CG 3.42Å; D172-E176 PolarHBondContact O-N 3.05Å
173E95.4Very high94.7Very high60 Ų6064.5 Ų64.528%0.2830%0.298SS..Hα-helixtrans-62.5-38.4175.6-72.3177.1130.400112R166 A169 T170 E176 I177R166-E173 IonicContact CZ-OE1 2.97Å; R166-E173 IonicContact NH1-OE1 3.86Å; R166-E173 PolarHBondContact NH1-OE1 3.44Å; R166-E173 VanDerWaalsContact NH2-CD 3.27Å; R166-E173 IonicContact NH2-OE1 2.69Å; R166-E173 PolarHBondContact NH2-OE1 3.5Å; R166-E173 IonicContact NH2-OE2 2.7Å; A169-E173 WeakPolarHBondContact CA-OE2 3.32Å; A169-E173 HydrophobicContact CB-CB 4.21Å; T170-E173 PolarHBondContact N-OE2 3.46Å; T170-E173 PolarHBondContact O-N 3.13Å; T170-E173 WeakPolarHBondContact OG1-CB 3.47Å; T170-E173 VanDerWaalsContact OG1-CG 3.27Å; T170-E173 WeakPolarHBondContact OG1-CG 3.45Å; T170-E173 PolarHBondContact OG1-N 3.31Å; T170-E173 PolarHBondContact OG1-OE2 3.47Å; E173-E176 PolarHBondContact O-N 3.33Å; E173-I177 VanDerWaalsContact O-CG1 3.32Å; E173-I177 WeakPolarHBondContact O-CG1 3.37Å; E173-I177 PolarHBondContact O-N 2.94Å
174A95.2Very high94.6Very high0 Ų056.3 Ų56.30%027%0.269CS..Hα-helixtrans-66.8-39.6177.900000111.7M8 F13 I15 A169 T170 V171 D172 E176 I177 V178M8-A174 HydrophobicContact CE-CB 3.5Å; M8-A174 VanDerWaalsContact CE-CB 3.5Å; F13-A174 HydrophobicContact CE2-CB 3.76Å; F13-A174 HydrophobicContact CZ-CB 3.85Å; I15-A174 HydrophobicContact CD1-CB 3.44Å; I15-A174 VanDerWaalsContact CD1-CB 3.44Å; A169-A174 HydrophobicContact CB-CB 4.46Å; T170-A174 VanDerWaalsContact O-CB 3.28Å; T170-A174 WeakPolarHBondContact O-CB 3.32Å; T170-A174 PolarHBondContact O-N 2.85Å; V171-A174 PolarHBondContact O-N 3.46Å; D172-A174 VanDerWaalsContact C-N 3.29Å; D172-A174 PolarHBondContact O-N 3.07Å; A174-E176 VanDerWaalsContact C-N 3.35Å; A174-I177 WeakPolarHBondContact O-CB 3.37Å; A174-I177 PolarHBondContact O-N 3.22Å; A174-V178 WeakPolarHBondContact O-CG2 3.4Å; A174-V178 PolarHBondContact O-N 2.93Å; A174-V178 VanDerWaalsContact O-N 3.09Å
175I95.2Very high94.5Very high30 Ų3054.6 Ų54.615%0.15426%0.261CS..Hα-helixtrans-63.1-41.8171.7-68.9164.8000110.8I15 V171 D172 I177 V178 K179 L209 I212I15-I175 HydrophobicContact CD1-CG1 4.42Å; V171-I175 HydrophobicContact CG1-CD1 3.95Å; V171-I175 VanDerWaalsContact O-CG1 3.27Å; V171-I175 WeakPolarHBondContact O-CG1 3.23Å; V171-I175 PolarHBondContact O-N 3.19Å; D172-I175 PolarHBondContact O-N 3.42Å; I175-I177 VanDerWaalsContact C-N 3.31Å; I175-I177 PolarHBondContact O-N 3.45Å; I175-V178 PolarHBondContact O-N 2.91Å; I175-K179 HydrophobicContact CG2-CD 4.23Å; I175-K179 HydrophobicContact CG2-CG 4.44Å; I175-K179 WeakPolarHBondContact O-CG 3.22Å; I175-K179 PolarHBondContact O-N 3.36Å; I175-L209 HydrophobicContact CD1-CD1 3.87Å; I175-L209 HydrophobicContact CG1-CD1 4.17Å; I175-I212 HydrophobicContact CG2-CD1 4.37Å
176E94.8Very high94.3Very high87 Ų8754.7 Ų54.741%0.40726%0.262SS..Hα-helixtrans-63.9-35176.1-72.8-58124.300112.6D172 E173 A174 K179 K180D172-E176 WeakPolarHBondContact O-CG 3.42Å; D172-E176 PolarHBondContact O-N 3.05Å; E173-E176 PolarHBondContact O-N 3.33Å; A174-E176 VanDerWaalsContact C-N 3.35Å; E176-K179 PolarHBondContact O-N 2.92Å; E176-K179 VanDerWaalsContact OE1-CD 3.3Å; E176-K179 WeakPolarHBondContact OE1-CD 3.39Å; E176-K179 IonicContact OE1-NZ 2.76Å; E176-K179 PolarHBondContact OE1-NZ 2.94Å; E176-K180 WeakPolarHBondContact O-CG 3.09Å; E176-K180 PolarHBondContact O-N 3.28Å
177I95.5Very high94.2Very high8 Ų855.8 Ų55.84%0.04127%0.27CS..Hα-helixtrans-60.7-50.2171.5-71.6167.6000110.3M8 L161 I164 E173 A174 I175 K179 K180 C181M8-I177 HydrophobicContact SD-CG2 4.04Å; L161-I177 HydrophobicContact CD2-CG2 3.58Å; I164-I177 HydrophobicContact CD1-CB 4.14Å; I164-I177 HydrophobicContact CD1-CG1 3.97Å; I164-I177 HydrophobicContact CD1-CG2 3.83Å; I164-I177 HydrophobicContact CG1-CG1 4.03Å; I164-I177 HydrophobicContact CG1-CG2 4.05Å; E173-I177 VanDerWaalsContact O-CG1 3.32Å; E173-I177 WeakPolarHBondContact O-CG1 3.37Å; E173-I177 PolarHBondContact O-N 2.94Å; A174-I177 WeakPolarHBondContact O-CB 3.37Å; A174-I177 PolarHBondContact O-N 3.22Å; I175-I177 VanDerWaalsContact C-N 3.31Å; I175-I177 PolarHBondContact O-N 3.45Å; I177-K179 VanDerWaalsContact C-N 3.35Å; I177-K179 PolarHBondContact O-N 3.15Å; I177-K180 PolarHBondContact O-N 2.78Å; I177-C181 PolarHBondContact O-N 2.84Å; I177-C181 VanDerWaalsContact O-N 3.09Å
178V95.1Very high94.1Very high1 Ų157.1 Ų57.11%0.00627%0.271CS..Hα-helixtrans-58.8-45.7178.2174.80000111.2F6 I15 A17 A174 I175 K180 C181 F182 L196 I212F6-V178 HydrophobicContact CD1-CG2 4.02Å; F6-V178 HydrophobicContact CE1-CG2 3.49Å; F6-V178 VanDerWaalsContact CE1-CG2 3.49Å; F6-V178 HydrophobicContact CZ-CG2 3.81Å; I15-V178 HydrophobicContact CG2-CG2 4.14Å; A17-V178 HydrophobicContact CB-CG1 4.25Å; A174-V178 WeakPolarHBondContact O-CG2 3.4Å; A174-V178 PolarHBondContact O-N 2.93Å; A174-V178 VanDerWaalsContact O-N 3.09Å; I175-V178 PolarHBondContact O-N 2.91Å; V178-K180 PolarHBondContact O-N 2.99Å; V178-C181 WeakPolarHBondContact O-CB 3.36Å; V178-C181 PolarHBondContact O-N 2.8Å; V178-F182 WeakPolarHBondContact O-CB 3.48Å; V178-F182 PolarHBondContact O-N 3.08Å; V178-L196 HydrophobicContact CG1-CD2 3.39Å; V178-I212 HydrophobicContact CB-CD1 4.46Å; V178-I212 HydrophobicContact CG1-CD1 3.9Å
179K94.8Very high93.9Very high65 Ų6551.7 Ų51.728%0.28325%0.245SC..Hα-helixtrans-58.7-46.7176.9-74.7173.8-178.2170.20112.2I175 E176 I177 C181 F182 I183 I212I175-K179 HydrophobicContact CG2-CD 4.23Å; I175-K179 HydrophobicContact CG2-CG 4.44Å; I175-K179 WeakPolarHBondContact O-CG 3.22Å; I175-K179 PolarHBondContact O-N 3.36Å; E176-K179 PolarHBondContact O-N 2.92Å; E176-K179 VanDerWaalsContact OE1-CD 3.3Å; E176-K179 WeakPolarHBondContact OE1-CD 3.39Å; E176-K179 IonicContact OE1-NZ 2.76Å; E176-K179 PolarHBondContact OE1-NZ 2.94Å; I177-K179 VanDerWaalsContact C-N 3.35Å; I177-K179 PolarHBondContact O-N 3.15Å; K179-C181 VanDerWaalsContact C-N 3.33Å; K179-C181 PolarHBondContact O-N 2.81Å; K179-F182 PolarHBondContact O-N 3.11Å; K179-F182 VanDerWaalsContact O-N 3.14Å; K179-I183 VanDerWaalsContact O-CG1 3.28Å; K179-I183 WeakPolarHBondContact O-CG1 3.04Å; K179-I183 PolarHBondContact O-N 2.87Å; K179-I212 HydrophobicContact CG-CD1 3.79Å; K179-I212 HydrophobicContact CG-CG1 4.2Å; K179-I212 HydrophobicContact CG-CG2 3.85Å
180K94.2Very high93.7Very high109 Ų10959.6 Ų59.647%0.47429%0.285SS..Hα-helixtrans-59.1-44.4178.1-75.9175-176.1177.80111.8I164 E176 I177 V178 F182 E184I164-K180 HydrophobicContact CD1-CB 4.31Å; I164-K180 HydrophobicContact CD1-CD 4.16Å; E176-K180 WeakPolarHBondContact O-CG 3.09Å; E176-K180 PolarHBondContact O-N 3.28Å; I177-K180 PolarHBondContact O-N 2.78Å; V178-K180 PolarHBondContact O-N 2.99Å; K180-F182 VanDerWaalsContact C-N 3.34Å; K180-E184 WeakPolarHBondContact O-CG 3.46Å; K180-E184 PolarHBondContact O-N 3.07Å
181C94.5Very high93.3Very high0 Ų058.4 Ų58.40%028%0.275CS..Hα-helixtrans-59.9-45.5174.2-72.20000111.4C157 I177 V178 K179 E184 V185C157-C181 HydrophobicContact CB-CB 4.11Å; C157-C181 VanDerWaalsContact SG-CB 3.56Å; C157-C181 PolarHBondContact SG-O 2.86Å; C157-C181 VanDerWaalsContact SG-O 3.41Å; I177-C181 PolarHBondContact O-N 2.84Å; I177-C181 VanDerWaalsContact O-N 3.09Å; V178-C181 WeakPolarHBondContact O-CB 3.36Å; V178-C181 PolarHBondContact O-N 2.8Å; K179-C181 VanDerWaalsContact C-N 3.33Å; K179-C181 PolarHBondContact O-N 2.81Å; C181-E184 PolarHBondContact O-N 2.81Å; C181-V185 WeakPolarHBondContact O-CG2 3.39Å; C181-V185 PolarHBondContact O-N 2.81Å; C181-V185 VanDerWaalsContact O-N 3.15Å
182F94Very high93Very high0 Ų059.7 Ų59.70%028%0.281CS..Hα-helixtrans-68.3-38.1-177.6-168.5-132.4000113.4V178 K179 K180 E184 V185 K186 L193 L196 I212 L214V178-F182 WeakPolarHBondContact O-CB 3.48Å; V178-F182 PolarHBondContact O-N 3.08Å; K179-F182 PolarHBondContact O-N 3.11Å; K179-F182 VanDerWaalsContact O-N 3.14Å; K180-F182 VanDerWaalsContact C-N 3.34Å; F182-E184 VanDerWaalsContact C-N 3.27Å; F182-E184 PolarHBondContact O-N 2.84Å; F182-V185 PolarHBondContact O-N 2.65Å; F182-K186 HydrophobicContact CE1-CD 4.23Å; F182-K186 VanDerWaalsContact CE1-CE 3.44Å; F182-K186 HydrophobicContact CE2-CG 4.37Å; F182-K186 HydrophobicContact CZ-CD 4.31Å; F182-K186 HydrophobicContact CZ-CG 4.29Å; F182-K186 PolarHBondContact O-N 3.4Å; F182-L193 HydrophobicContact CE2-CB 4.05Å; F182-L193 HydrophobicContact CE2-CD1 4.13Å; F182-L193 HydrophobicContact CZ-CB 4.41Å; F182-L196 HydrophobicContact CB-CD2 4.34Å; F182-L196 HydrophobicContact CD1-CB 4.06Å; F182-L196 HydrophobicContact CD1-CD2 4.44Å; F182-L196 HydrophobicContact CD2-CD1 4.36Å; F182-L196 HydrophobicContact CD2-CD2 4.45Å; F182-L196 HydrophobicContact CE1-CB 3.81Å; F182-L196 HydrophobicContact CE2-CB 4.32Å; F182-L196 HydrophobicContact CE2-CD1 4.29Å; F182-L196 HydrophobicContact CG-CB 4.44Å; F182-L196 HydrophobicContact CG-CD2 4.2Å; F182-L196 HydrophobicContact CZ-CB 3.96Å; F182-I212 HydrophobicContact CD1-CG2 4.15Å; F182-L214 HydrophobicContact CB-CD1 4.29Å; F182-L214 HydrophobicContact CD1-CD1 3.4Å; F182-L214 VanDerWaalsContact CD1-CD1 3.4Å; F182-L214 HydrophobicContact CD1-CG 4.02Å; F182-L214 HydrophobicContact CE1-CD1 4.09Å; F182-L214 HydrophobicContact CE1-CG 4.38Å; F182-L214 HydrophobicContact CG-CD1 4.15Å
183I93.5Very high92.6Very high71 Ų7154 Ų5436%0.36425%0.251SS..Hα-helixtrans-55.8-45.5172.6-70.7164.4000110.5K179 V185 K186 K187 L214K179-I183 VanDerWaalsContact O-CG1 3.28Å; K179-I183 WeakPolarHBondContact O-CG1 3.04Å; K179-I183 PolarHBondContact O-N 2.87Å; I183-V185 VanDerWaalsContact C-N 3.35Å; I183-V185 PolarHBondContact O-N 2.9Å; I183-K186 PolarHBondContact O-N 3.23Å; I183-K187 WeakPolarHBondContact O-CB 3.39Å; I183-K187 PolarHBondContact O-N 3.14Å; I183-L214 HydrophobicContact CB-CD1 4.36Å; I183-L214 HydrophobicContact CG1-CD1 3.46Å; I183-L214 VanDerWaalsContact CG1-CD1 3.46Å; I183-L214 HydrophobicContact CG1-CD2 4.29Å
184E92.8Very high92.3Very high50 Ų5051.6 Ų51.623%0.23424%0.242CC..Hα-helixtrans-70.9-32.2-175.9-69.2-77.5127.900112.3I160 K180 C181 F182 R188I160-E184 HydrophobicContact CD1-CB 3.69Å; I160-E184 HydrophobicContact CD1-CG 3.56Å; K180-E184 WeakPolarHBondContact O-CG 3.46Å; K180-E184 PolarHBondContact O-N 3.07Å; C181-E184 PolarHBondContact O-N 2.81Å; F182-E184 VanDerWaalsContact C-N 3.27Å; F182-E184 PolarHBondContact O-N 2.84Å; E184-R188 PolarHBondContact O-N 3.37Å; E184-R188 IonicContact OE2-CZ 2.72Å; E184-R188 IonicContact OE2-NH1 2.87Å; E184-R188 PolarHBondContact OE2-NH1 3.08Å; E184-R188 IonicContact OE2-NH2 3.19Å; E184-R188 PolarHBondContact OE2-NH2 2.82Å
185V93Very high92.2Very high1 Ų155.3 Ų55.31%0.00626%0.259CS..Hα-helixtrans-68.9-49.9170.3179.30000110.6Y4 F156 C157 C181 F182 I183 K187 R188 F189 L193Y4-V185 HydrophobicContact CD2-CG1 4.4Å; Y4-V185 HydrophobicContact CD2-CG2 4.18Å; Y4-V185 HydrophobicContact CE2-CG2 3.89Å; F156-V185 HydrophobicContact CB-CG2 4.32Å; F156-V185 HydrophobicContact CD2-CG2 4.34Å; C157-V185 WeakPolarHBondContact SG-CG2 3.41Å; C181-V185 WeakPolarHBondContact O-CG2 3.39Å; C181-V185 PolarHBondContact O-N 2.81Å; C181-V185 VanDerWaalsContact O-N 3.15Å; F182-V185 PolarHBondContact O-N 2.65Å; I183-V185 VanDerWaalsContact C-N 3.35Å; I183-V185 PolarHBondContact O-N 2.9Å; V185-K187 PolarHBondContact O-N 3.23Å; V185-R188 PolarHBondContact O-N 2.86Å; V185-R188 VanDerWaalsContact O-N 3.14Å; V185-F189 HydrophobicContact CG1-CB 3.77Å; V185-F189 HydrophobicContact CG1-CD1 4.31Å; V185-F189 HydrophobicContact CG1-CG 4.26Å; V185-F189 WeakPolarHBondContact O-CA 3.3Å; V185-F189 WeakPolarHBondContact O-CB 3.49Å; V185-F189 PolarHBondContact O-N 2.95Å; V185-L193 HydrophobicContact CG1-CD1 3.45Å; V185-L193 VanDerWaalsContact CG1-CD1 3.45Å
186K91.2Very high92.1Very high44 Ų4453.9 Ų53.919%0.19125%0.251CS..Hα-helixtrans-57.3-33.2178-80.8-158.6172.9-1580113.2F182 I183 G194 L214 V216F182-K186 HydrophobicContact CE1-CD 4.23Å; F182-K186 VanDerWaalsContact CE1-CE 3.44Å; F182-K186 HydrophobicContact CE2-CG 4.37Å; F182-K186 HydrophobicContact CZ-CD 4.31Å; F182-K186 HydrophobicContact CZ-CG 4.29Å; F182-K186 PolarHBondContact O-N 3.4Å; I183-K186 PolarHBondContact O-N 3.23Å; K186-G194 WeakPolarHBondContact CE-O 3.46Å; K186-G194 PolarHBondContact NZ-O 3.38Å; K186-L214 HydrophobicContact CD-CB 4.08Å; K186-L214 HydrophobicContact CD-CD1 4.44Å; K186-L214 PolarHBondContact NZ-O 2.77Å; K186-V216 HydrophobicContact CB-CG2 4.14Å; K186-V216 HydrophobicContact CD-CG2 4Å
187K91.5Very high92.2Very high153 Ų15351.6 Ų51.667%0.66524%0.24SC*.Hα-helixtrans-73.5-33.9178.9-175.5173.6179.9177.10113.8I183 V185I183-K187 WeakPolarHBondContact O-CB 3.39Å; I183-K187 PolarHBondContact O-N 3.14Å; V185-K187 PolarHBondContact O-N 3.23Å
188R91Very high92.2Very high128 Ų12851.4 Ų51.448%0.48324%0.239SC..Hα-helixtrans-110.1-26.9-170.7-64.6-168.4-174.193.76.6114.3F156 E184 V185F156-R188 HydrophobicContact CD1-CB 4.12Å; F156-R188 HydrophobicContact CE1-CB 3.76Å; F156-R188 HydrophobicContact CE1-CG 4.43Å; F156-R188 HydrophobicContact CZ-CB 3.98Å; E184-R188 PolarHBondContact O-N 3.37Å; E184-R188 IonicContact OE2-CZ 2.72Å; E184-R188 IonicContact OE2-NH1 2.87Å; E184-R188 PolarHBondContact OE2-NH1 3.08Å; E184-R188 IonicContact OE2-NH2 3.19Å; E184-R188 PolarHBondContact OE2-NH2 2.82Å; V185-R188 PolarHBondContact O-N 2.86Å; V185-R188 VanDerWaalsContact O-N 3.14Å
189F90.3Very high92.3Very high32 Ų3251.8 Ų51.814%0.1424%0.241CC..  trans-82.5135.9-175.5-166.1-129.3000110.1L2 Y152 F156 V185 I191 L193L2-F189 WeakPolarHBondContact O-CE1 3.4Å; Y152-F189 AromaticContact CD2-CE2 3.75Å; Y152-F189 HydrophobicContact CD2-CE2 3.75Å; Y152-F189 AromaticContact CD2-CZ 3.78Å; Y152-F189 HydrophobicContact CD2-CZ 3.78Å; Y152-F189 AromaticContact CG-CE2 3.81Å; Y152-F189 HydrophobicContact CG-CE2 3.81Å; Y152-F189 HydrophobicContact CG-CZ 4.19Å; F156-F189 HydrophobicContact CE2-CB 4.36Å; F156-F189 HydrophobicContact CE2-CD2 4.27Å; V185-F189 HydrophobicContact CG1-CB 3.77Å; V185-F189 HydrophobicContact CG1-CD1 4.31Å; V185-F189 HydrophobicContact CG1-CG 4.26Å; V185-F189 WeakPolarHBondContact O-CA 3.3Å; V185-F189 WeakPolarHBondContact O-CB 3.49Å; V185-F189 PolarHBondContact O-N 2.95Å; F189-I191 HydrophobicContact CD1-CB 4Å; F189-I191 WeakPolarHBondContact CD1-O 3.17Å; F189-I191 HydrophobicContact CE1-CB 3.65Å; F189-I191 HydrophobicContact CE1-CD1 4.26Å; F189-I191 HydrophobicContact CE1-CG1 4.17Å; F189-I191 HydrophobicContact CZ-CB 4.26Å; F189-I191 HydrophobicContact CZ-CD1 4.12Å; F189-I191 HydrophobicContact CZ-CG1 4.28Å; F189-I191 PolarHBondContact O-N 2.83Å; F189-L193 HydrophobicContact CD1-CD1 4.19Å; F189-L193 HydrophobicContact CD1-CD2 4.13Å; F189-L193 HydrophobicContact CD1-CG 4.1Å; F189-L193 HydrophobicContact CE1-CD2 3.92Å; F189-L193 HydrophobicContact CE1-CG 4.4Å
190I89.1Confident92.4Very high169 Ų16949.3 Ų49.387%0.86723%0.231SC*.SBendtrans-71.7-21.7-171.4-60.9165.1000111.5
191I87.6Confident92.5Very high50 Ų5044.1 Ų44.126%0.25621%0.208SC..SBendtrans-101.1132.6-176.1-57.1-179.4000109.9L2 I21 F189 L193L2-I191 HydrophobicContact CB-CD1 3.96Å; L2-I191 HydrophobicContact CD1-CD1 3.7Å; L2-I191 HydrophobicContact CD2-CD1 3.43Å; L2-I191 VanDerWaalsContact CD2-CD1 3.43Å; L2-I191 HydrophobicContact CG-CD1 3.85Å; I21-I191 HydrophobicContact CD1-CG2 4.16Å; F189-I191 HydrophobicContact CD1-CB 4Å; F189-I191 WeakPolarHBondContact CD1-O 3.17Å; F189-I191 HydrophobicContact CE1-CB 3.65Å; F189-I191 HydrophobicContact CE1-CD1 4.26Å; F189-I191 HydrophobicContact CE1-CG1 4.17Å; F189-I191 HydrophobicContact CZ-CB 4.26Å; F189-I191 HydrophobicContact CZ-CD1 4.12Å; F189-I191 HydrophobicContact CZ-CG1 4.28Å; F189-I191 PolarHBondContact O-N 2.83Å; I191-L193 PolarHBondContact O-N 3.17Å
192D88.1Confident92.5Very high74 Ų7445.5 Ų45.540%0.39622%0.216SC..  trans-70.4111.7169.6177.819.7000110.3R31 G194R31-D192 IonicContact CZ-OD2 3.85Å; R31-D192 IonicContact NH1-OD2 3.89Å; R31-D192 IonicContact NH2-OD2 2.81Å; R31-D192 PolarHBondContact NH2-OD2 3.11Å; D192-G194 VanDerWaalsContact C-N 3.3Å; D192-G194 PolarHBondContact OD1-N 3.21Å
193L88Confident92.4Very high3 Ų347.6 Ų47.62%0.01623%0.233CC..  trans-83.3-0.2179.8-63.8176.7000113.8Y4 D19 I21 F182 V185 F189 I191 E195Y4-L193 HydrophobicContact CD2-CD1 4.35Å; Y4-L193 HydrophobicContact CG-CD1 4.35Å; D19-L193 HydrophobicContact CB-CB 4.15Å; D19-L193 HydrophobicContact CB-CD2 4.42Å; I21-L193 HydrophobicContact CD1-CD2 3.79Å; I21-L193 HydrophobicContact CG1-CD2 4.43Å; I21-L193 WeakPolarHBondContact CG2-O 3.39Å; F182-L193 HydrophobicContact CE2-CB 4.05Å; F182-L193 HydrophobicContact CE2-CD1 4.13Å; F182-L193 HydrophobicContact CZ-CB 4.41Å; V185-L193 HydrophobicContact CG1-CD1 3.45Å; V185-L193 VanDerWaalsContact CG1-CD1 3.45Å; F189-L193 HydrophobicContact CD1-CD1 4.19Å; F189-L193 HydrophobicContact CD1-CD2 4.13Å; F189-L193 HydrophobicContact CD1-CG 4.1Å; F189-L193 HydrophobicContact CE1-CD2 3.92Å; F189-L193 HydrophobicContact CE1-CG 4.4Å; I191-L193 PolarHBondContact O-N 3.17Å; L193-E195 PolarHBondContact O-N 2.95Å
194G88.7Confident92.3Very high9 Ų949.7 Ų49.79%0.09325%0.245CC..  trans68.6-129.6179.300000113.2K186 D192K186-G194 WeakPolarHBondContact CE-O 3.46Å; K186-G194 PolarHBondContact NZ-O 3.38Å; D192-G194 VanDerWaalsContact C-N 3.3Å; D192-G194 PolarHBondContact OD1-N 3.21Å
195E93.2Very high92.2Very high77 Ų7747.6 Ų47.636%0.3624%0.237SC..  trans-97.4161176.6-61.4-169.3166.400111T20 L193 N211 S213T20-E195 HydrophobicContact CG2-CB 4.32Å; T20-E195 PolarHBondContact N-O 3.2Å; T20-E195 VanDerWaalsContact N-O 3.09Å; T20-E195 PolarHBondContact OG1-N 3.36Å; T20-E195 PolarHBondContact OG1-O 2.99Å; L193-E195 PolarHBondContact O-N 2.95Å; E195-N211 PolarHBondContact OE2-ND2 3.06Å; E195-N211 VanDerWaalsContact OE2-ND2 3.1Å; E195-S213 WeakPolarHBondContact OE1-CB 3.46Å
196L94.1Very high92.3Very high0 Ų049.6 Ų49.60%025%0.249CC..EExtended strand (participates in β ladder)trans-110.5115.3173.7-168.577.5000109.4Y4 A17 A18 V178 F182 V198 N211 I212Y4-L196 HydrophobicContact CD1-CD1 3.35Å; Y4-L196 HydrophobicContact CE1-CD1 3.45Å; Y4-L196 VanDerWaalsContact CE1-CD1 3.45Å; Y4-L196 HydrophobicContact CE1-CD2 4.13Å; Y4-L196 HydrophobicContact CE1-CG 4.47Å; Y4-L196 HydrophobicContact CG-CD1 4.45Å; A17-L196 HydrophobicContact CB-CD1 4.17Å; A17-L196 HydrophobicContact CB-CD2 3.79Å; A17-L196 HydrophobicContact CB-CG 3.9Å; A18-L196 VanDerWaalsContact C-CD1 3.42Å; A18-L196 WeakPolarHBondContact O-CD1 3.29Å; V178-L196 HydrophobicContact CG1-CD2 3.39Å; F182-L196 HydrophobicContact CB-CD2 4.34Å; F182-L196 HydrophobicContact CD1-CB 4.06Å; F182-L196 HydrophobicContact CD1-CD2 4.44Å; F182-L196 HydrophobicContact CD2-CD1 4.36Å; F182-L196 HydrophobicContact CD2-CD2 4.45Å; F182-L196 HydrophobicContact CE1-CB 3.81Å; F182-L196 HydrophobicContact CE2-CB 4.32Å; F182-L196 HydrophobicContact CE2-CD1 4.29Å; F182-L196 HydrophobicContact CG-CB 4.44Å; F182-L196 HydrophobicContact CG-CD2 4.2Å; F182-L196 HydrophobicContact CZ-CB 3.96Å; L196-V198 HydrophobicContact CD2-CG2 4.41Å; L196-V198 HydrophobicContact CG-CG2 4.44Å; L196-N211 CarbonylContact O-C 3.55Å; L196-N211 WeakPolarHBondContact O-CA 3.47Å; L196-I212 HydrophobicContact CB-CB 4.18Å; L196-I212 HydrophobicContact CD2-CD1 4.22Å; L196-I212 PolarHBondContact N-O 3.37Å; L196-I212 PolarHBondContact O-N 2.71Å
197K95.4Very high92.5Very high40 Ų4053.6 Ų53.617%0.17426%0.263CS..EExtended strand (participates in β ladder)trans-83.4135.2172.6-179.1173.4-179.7-178.10109.1A17 A18 T20 N34 F36A17-K197 CarbonylContact C-O 2.95Å; A17-K197 VanDerWaalsContact CA-O 3.22Å; A17-K197 WeakPolarHBondContact CA-O 3.12Å; A18-K197 PolarHBondContact N-O 3.09Å; A18-K197 PolarHBondContact O-N 3.05Å; T20-K197 HydrophobicContact CG2-CB 4.01Å; N34-K197 VanDerWaalsContact CG-NZ 3.25Å; N34-K197 PolarHBondContact ND2-NZ 2.82Å; N34-K197 PolarHBondContact OD1-NZ 2.94Å; F36-K197 HydrophobicContact CD2-CD 3.83Å; F36-K197 HydrophobicContact CD2-CG 4.09Å; F36-K197 HydrophobicContact CE2-CB 3.86Å; F36-K197 HydrophobicContact CE2-CD 3.96Å; F36-K197 HydrophobicContact CE2-CG 3.68Å; F36-K197 WeakPolarHBondContact CZ-O 3.49Å
198V96.7Very high92.6Very high3 Ų351.2 Ų51.22%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-127.3134.4-172-172.20000110.5I15 L16 A17 L196 L209 I212I15-V198 HydrophobicContact CG2-CG1 3.64Å; L16-V198 CarbonylContact O-C 3.54Å; L16-V198 WeakPolarHBondContact O-CA 3.3Å; A17-V198 HydrophobicContact CB-CG2 4.07Å; L196-V198 HydrophobicContact CD2-CG2 4.41Å; L196-V198 HydrophobicContact CG-CG2 4.44Å; V198-L209 HydrophobicContact CB-CB 4.21Å; V198-L209 HydrophobicContact CG1-CB 4.38Å; V198-L209 HydrophobicContact CG1-CD1 3.97Å; V198-L209 PolarHBondContact O-N 2.84Å; V198-I212 HydrophobicContact CG2-CD1 3.7Å; V198-I212 HydrophobicContact CG2-CG1 4.12Å
199Q96.5Very high92.8Very high10 Ų1046.8 Ų46.85%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-119.4134.9172.6-72.5-168.3-19.300110.8I15 L16 F36 S44 R207 D208I15-Q199 WeakPolarHBondContact CA-O 3.24Å; L16-Q199 PolarHBondContact N-O 3.09Å; L16-Q199 PolarHBondContact O-N 3.11Å; F36-Q199 HydrophobicContact CD1-CB 4.32Å; F36-Q199 HydrophobicContact CD1-CG 3.75Å; F36-Q199 HydrophobicContact CE1-CB 3.83Å; F36-Q199 HydrophobicContact CE1-CG 3.6Å; F36-Q199 HydrophobicContact CG-CG 4.32Å; F36-Q199 HydrophobicContact CZ-CB 4.43Å; F36-Q199 HydrophobicContact CZ-CG 4.08Å; S44-Q199 PolarHBondContact OG-OE1 2.95Å; Q199-R207 WeakPolarHBondContact CA-O 3.21Å; Q199-D208 WeakPolarHBondContact CG-OD1 3.31Å; Q199-D208 PolarHBondContact NE2-OD1 3.34Å
200L96.9Very high92.9Very high13 Ų1350.7 Ų50.77%0.06827%0.272CS..EExtended strand (participates in β ladder)trans-101.8132.5170.5-178.969.9000109.1F13 I15 V171 V206 R207 L209F13-L200 HydrophobicContact CB-CD1 3.8Å; F13-L200 HydrophobicContact CD2-CD1 3.38Å; F13-L200 HydrophobicContact CE2-CD1 4.09Å; F13-L200 HydrophobicContact CG-CD1 3.69Å; I15-L200 HydrophobicContact CG1-CD1 3.95Å; V171-L200 HydrophobicContact CG1-CD1 4.43Å; V171-L200 HydrophobicContact CG1-CD2 4.17Å; V171-L200 HydrophobicContact CG2-CD1 4.32Å; V171-L200 HydrophobicContact CG2-CD2 4.19Å; L200-V206 CarbonylContact O-C 3.56Å; L200-V206 WeakPolarHBondContact O-CA 3.49Å; L200-R207 PolarHBondContact N-O 3.48Å; L200-R207 PolarHBondContact O-N 3Å; L200-L209 HydrophobicContact CB-CD1 3.93Å; L200-L209 HydrophobicContact CB-CD2 4.4Å; L200-L209 HydrophobicContact CB-CG 4.03Å
201I96.4Very high93.1Very high0 Ų046 Ų460%025%0.248CC..EExtended strand (participates in β ladder)trans-124119.6177.2-47176.7000108.3F13 V14 L16 K42 G124 V206F13-I201 CarbonylContact C-O 3.6Å; F13-I201 WeakPolarHBondContact CA-O 3.28Å; F13-I201 WeakPolarHBondContact CB-O 3.42Å; V14-I201 HydrophobicContact CB-CB 4.23Å; V14-I201 PolarHBondContact N-O 3.26Å; V14-I201 PolarHBondContact O-N 3.06Å; L16-I201 HydrophobicContact CD1-CD1 3.85Å; L16-I201 HydrophobicContact CG-CD1 4.2Å; K42-I201 WeakPolarHBondContact O-CG2 3.35Å; G124-I201 VanDerWaalsContact O-CD1 3.26Å; G124-I201 WeakPolarHBondContact O-CD1 3.31Å; I201-V206 HydrophobicContact CG1-CG1 4.39Å; I201-V206 HydrophobicContact CG1-CG2 4.16Å; I201-V206 HydrophobicContact CG2-CG2 4.15Å
202N94.4Very high93.4Very high28 Ų2844.1 Ų44.115%0.1524%0.239CC..EExtended strand (participates in β ladder)trans-135.7-169178.871.3-2.3000110.8F13 D204 G205F13-N202 HydrophobicContact CB-CB 4.03Å; N202-D204 PolarHBondContact ND2-OD2 2.9Å; N202-D204 PolarHBondContact O-N 3.1Å; N202-D204 WeakPolarHBondContact OD1-CA 3.35Å; N202-D204 VanDerWaalsContact OD1-CB 3.28Å; N202-D204 WeakPolarHBondContact OD1-CB 3.29Å; N202-D204 PolarHBondContact OD1-N 3.35Å; N202-G205 PolarHBondContact N-O 3.4Å; N202-G205 PolarHBondContact O-N 3.25Å; N202-G205 PolarHBondContact OD1-N 3.33Å; N202-G205 VanDerWaalsContact OD1-N 3.12Å; N202-G205 PolarHBondContact OD1-O 3.4Å
203A92.7Very high93.4Very high45 Ų4544.5 Ų44.537%0.37225%0.247SC..THydrogen-bonded Turntrans-60-28.2177.100000114K42 Y126K42-A203 WeakPolarHBondContact CE-O 3.47Å; K42-A203 PolarHBondContact NZ-O 3.04Å; Y126-A203 HydrophobicContact CD1-CB 4.08Å; Y126-A203 HydrophobicContact CE1-CB 3.63Å
204D91.3Very high93.1Very high114 Ų11446.2 Ų46.261%0.6126%0.256SS*.THydrogen-bonded Turntrans-76.8-29.8179.1-55-34.9000112N202 R207N202-D204 PolarHBondContact ND2-OD2 2.9Å; N202-D204 PolarHBondContact O-N 3.1Å; N202-D204 WeakPolarHBondContact OD1-CA 3.35Å; N202-D204 VanDerWaalsContact OD1-CB 3.28Å; N202-D204 WeakPolarHBondContact OD1-CB 3.29Å; N202-D204 PolarHBondContact OD1-N 3.35Å; D204-R207 VanDerWaalsContact CB-NH2 3.31Å; D204-R207 IonicContact OD2-CZ 3.59Å; D204-R207 IonicContact OD2-NH1 2.62Å; D204-R207 IonicContact OD2-NH2 2.79Å; D204-R207 PolarHBondContact OD2-NH2 3.36Å
205G91.2Very high92Very high6 Ų651.9 Ų51.96%0.06229%0.294CS..EExtended strand (participates in β ladder)trans141.2-161.3178.600000113.5S41 N202S41-G205 CarbonylContact O-C 3.6Å; S41-G205 WeakPolarHBondContact O-CA 3.49Å; N202-G205 PolarHBondContact N-O 3.4Å; N202-G205 PolarHBondContact O-N 3.25Å; N202-G205 PolarHBondContact OD1-N 3.33Å; N202-G205 VanDerWaalsContact OD1-N 3.12Å; N202-G205 PolarHBondContact OD1-O 3.4Å
206V94.1Very high90.2Very high43 Ų4355.4 Ų55.426%0.26132%0.321SS..EExtended strand (participates in β ladder)trans-88.9131.1175.5-175.40000110S41 L200 I201S41-V206 PolarHBondContact O-N 2.81Å; L200-V206 CarbonylContact O-C 3.56Å; L200-V206 WeakPolarHBondContact O-CA 3.49Å; I201-V206 HydrophobicContact CG1-CG1 4.39Å; I201-V206 HydrophobicContact CG1-CG2 4.16Å; I201-V206 HydrophobicContact CG2-CG2 4.15Å
207R94.9Very high90Very high129 Ų12958.2 Ų58.249%0.48734%0.337SS..EExtended strand (participates in β ladder)trans-130.6131.7174.8-62.7-176.7-176.8159.38.8110Q199 L200 D204Q199-R207 WeakPolarHBondContact CA-O 3.21Å; L200-R207 PolarHBondContact N-O 3.48Å; L200-R207 PolarHBondContact O-N 3Å; D204-R207 VanDerWaalsContact CB-NH2 3.31Å; D204-R207 IonicContact OD2-CZ 3.59Å; D204-R207 IonicContact OD2-NH1 2.62Å; D204-R207 IonicContact OD2-NH2 2.79Å; D204-R207 PolarHBondContact OD2-NH2 3.36Å
208D94.8Very high89.7Confident102 Ų10259.2 Ų59.255%0.54535%0.346SS..EExtended strand (participates in β ladder)trans-74.4132.1168.9-66.5-55.7000109.5Q199Q199-D208 WeakPolarHBondContact CG-OD1 3.31Å; Q199-D208 PolarHBondContact NE2-OD1 3.34Å
209L94.4Very high89.4Confident36 Ų3662.3 Ų62.319%0.18836%0.364CS..EExtended strand (participates in β ladder)trans-97.7162.8173.2-68.2179.2000110.2I175 V198 L200 N211I175-L209 HydrophobicContact CD1-CD1 3.87Å; I175-L209 HydrophobicContact CG1-CD1 4.17Å; V198-L209 HydrophobicContact CB-CB 4.21Å; V198-L209 HydrophobicContact CG1-CB 4.38Å; V198-L209 HydrophobicContact CG1-CD1 3.97Å; V198-L209 PolarHBondContact O-N 2.84Å; L200-L209 HydrophobicContact CB-CD1 3.93Å; L200-L209 HydrophobicContact CB-CD2 4.4Å; L200-L209 HydrophobicContact CB-CG 4.03Å; L209-N211 PolarHBondContact O-N 2.91Å
210P93.6Very high88.9Confident113 Ų11365.4 Ų65.473%0.73438%0.382SS*.EExtended strand (participates in β ladder)trans-55.2135.3172.7-2434.1000111.4
211N93.1Very high88.4Confident71 Ų7168.6 Ų68.638%0.3840%0.402SS..EExtended strand (participates in β ladder)trans-58141.2175.7-69.1-1.4000110.6E195 L196 L209 S213E195-N211 PolarHBondContact OE2-ND2 3.06Å; E195-N211 VanDerWaalsContact OE2-ND2 3.1Å; L196-N211 CarbonylContact O-C 3.55Å; L196-N211 WeakPolarHBondContact O-CA 3.47Å; L209-N211 PolarHBondContact O-N 2.91Å; N211-S213 PolarHBondContact O-N 2.75Å
212I92.3Very high87.9Confident11 Ų1173.2 Ų73.26%0.05643%0.429CS..EExtended strand (participates in β ladder)trans-88.5101.2172.2-62.3164.9000107.4I175 V178 K179 F182 L196 V198 L214I175-I212 HydrophobicContact CG2-CD1 4.37Å; V178-I212 HydrophobicContact CB-CD1 4.46Å; V178-I212 HydrophobicContact CG1-CD1 3.9Å; K179-I212 HydrophobicContact CG-CD1 3.79Å; K179-I212 HydrophobicContact CG-CG1 4.2Å; K179-I212 HydrophobicContact CG-CG2 3.85Å; F182-I212 HydrophobicContact CD1-CG2 4.15Å; L196-I212 HydrophobicContact CB-CB 4.18Å; L196-I212 HydrophobicContact CD2-CD1 4.22Å; L196-I212 PolarHBondContact N-O 3.37Å; L196-I212 PolarHBondContact O-N 2.71Å; V198-I212 HydrophobicContact CG2-CD1 3.7Å; V198-I212 HydrophobicContact CG2-CG1 4.12Å; I212-L214 HydrophobicContact CG2-CD2 4.28Å; I212-L214 HydrophobicContact CG2-CG 4.05Å
213S88.8Confident87.4Confident81 Ų8176.4 Ų76.457%0.56645%0.449SS*.  trans-96.7124.1167.260.50000109.3E195 N211E195-S213 WeakPolarHBondContact OE1-CB 3.46Å; N211-S213 PolarHBondContact O-N 2.75Å
214L82.5Confident87Confident39 Ų3978.8 Ų78.820%0.20446%0.455CS..  trans-115.5115.5174.1-63.3174.4000107.7F182 I183 K186 I212 V216F182-L214 HydrophobicContact CB-CD1 4.29Å; F182-L214 HydrophobicContact CD1-CD1 3.4Å; F182-L214 VanDerWaalsContact CD1-CD1 3.4Å; F182-L214 HydrophobicContact CD1-CG 4.02Å; F182-L214 HydrophobicContact CE1-CD1 4.09Å; F182-L214 HydrophobicContact CE1-CG 4.38Å; F182-L214 HydrophobicContact CG-CD1 4.15Å; I183-L214 HydrophobicContact CB-CD1 4.36Å; I183-L214 HydrophobicContact CG1-CD1 3.46Å; I183-L214 VanDerWaalsContact CG1-CD1 3.46Å; I183-L214 HydrophobicContact CG1-CD2 4.29Å; K186-L214 HydrophobicContact CD-CB 4.08Å; K186-L214 HydrophobicContact CD-CD1 4.44Å; K186-L214 PolarHBondContact NZ-O 2.77Å; I212-L214 HydrophobicContact CG2-CD2 4.28Å; I212-L214 HydrophobicContact CG2-CG 4.05Å; L214-V216 HydrophobicContact CB-CG2 4.17Å; L214-V216 PolarHBondContact O-N 3Å
215S64.3Low86.7Confident129 Ų12975.9 Ų75.990%0.90244%0.442SS*.  trans-8090.9163.156.70000107.6
216V56.3Low86.3Confident151 Ų15182.3 Ų82.392%0.91548%0.476SS*.  trans-92.40167.2-175.50000108.2K186 L214K186-V216 HydrophobicContact CB-CG2 4.14Å; K186-V216 HydrophobicContact CD-CG2 4Å; L214-V216 HydrophobicContact CB-CG2 4.17Å; L214-V216 PolarHBondContact O-N 3Å

Retrieved 216 of 216 residues in 157.5 ms (Link to these results)

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