A0A077ZF67_TRITR Loading...

CTP synthase

Catalyzes the ATP-dependent amination of UTP to CTP with either L-glutamine or ammonia as the source of nitrogen.

AlphaFold DB , UniProt , Accession A0A077ZF67, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 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
1M85.4Confident92.8Very high154 Ų15423.6 Ų23.676%0.75912%0.122SC*.  0136.70176.1178.7174.300107.9V171 N175M1-V171 HydrophobicContact CE-CB 4.25Å; M1-N175 HydrophobicContact CE-CB 4.31Å
2V94.4Very high91.8Very high2 Ų224 Ų241%0.01213%0.132CC..  trans-69.7134179.7-169.90000110.2Y4 A130 P141 C144V2-Y4 WeakPolarHBondContact O-CE2 3.29Å; V2-A130 HydrophobicContact CG1-CB 4.17Å; V2-P141 WeakPolarHBondContact CG2-O 3.48Å; V2-C144 HydrophobicContact CG1-CB 3.92Å
3K97.3Very high91Very high29 Ų2930.5 Ų30.513%0.12618%0.18CC..EExtended strand (participates in β ladder)trans-95.4158.6174.4-52.1-66.8177.91510109.9D142 V143 C144 N175 L269 L271K3-D142 PolarHBondContact N-O 3.13Å; K3-V143 HydrophobicContact CB-CG2 4.23Å; K3-V143 CarbonylContact O-C 3.49Å; K3-V143 WeakPolarHBondContact O-CA 3.48Å; K3-C144 PolarHBondContact O-N 3.18Å; K3-N175 HydrophobicContact CD-CB 4.03Å; K3-N175 VanDerWaalsContact CD-OD1 3.25Å; K3-N175 WeakPolarHBondContact CD-OD1 3.46Å; K3-N175 WeakPolarHBondContact CE-OD1 3.4Å; K3-N175 PolarHBondContact NZ-OD1 2.9Å; K3-L269 HydrophobicContact CB-CB 4.4Å; K3-L269 HydrophobicContact CB-CD1 4.15Å; K3-L269 HydrophobicContact CB-CD2 4.17Å; K3-L269 HydrophobicContact CB-CG 4.48Å; K3-L269 WeakPolarHBondContact CD-O 3.2Å; K3-L269 VanDerWaalsContact CE-O 3.23Å; K3-L269 WeakPolarHBondContact CE-O 3.37Å; K3-L269 HydrophobicContact CG-CB 4.34Å; K3-L269 PolarHBondContact NZ-O 3.11Å; K3-L271 HydrophobicContact CB-CD2 4.39Å; K3-L271 HydrophobicContact CG-CD2 3.93Å
4Y97.9Very high90.3Very high6 Ų634.4 Ų34.42%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-127.9136.3-174-60.8-86.8000112.3V2 I126 A130 C144 I146 F167 V171 N175 F176 V177V2-Y4 WeakPolarHBondContact O-CE2 3.29Å; Y4-I126 HydrophobicContact CD1-CG2 4.24Å; Y4-I126 HydrophobicContact CE1-CG2 3.82Å; Y4-A130 HydrophobicContact CE1-CB 3.62Å; Y4-C144 WeakPolarHBondContact CA-O 3.38Å; Y4-C144 HydrophobicContact CD1-CB 3.77Å; Y4-C144 HydrophobicContact CE1-CB 3.94Å; Y4-I146 HydrophobicContact CD1-CD1 4.11Å; Y4-F167 AromaticContact CD1-CE1 3.85Å; Y4-F167 HydrophobicContact CD1-CE1 3.85Å; Y4-F167 HydrophobicContact CD1-CZ 4.38Å; Y4-F167 AromaticContact CD2-CE1 3.94Å; Y4-F167 HydrophobicContact CD2-CE1 3.94Å; Y4-F167 HydrophobicContact CD2-CZ 4.41Å; Y4-F167 AromaticContact CE1-CE1 3.88Å; Y4-F167 HydrophobicContact CE1-CE1 3.88Å; Y4-F167 AromaticContact CE1-CZ 3.92Å; Y4-F167 HydrophobicContact CE1-CZ 3.92Å; Y4-F167 AromaticContact CE2-CE1 3.98Å; Y4-F167 HydrophobicContact CE2-CE1 3.98Å; Y4-F167 AromaticContact CE2-CZ 3.98Å; Y4-F167 HydrophobicContact CE2-CZ 3.98Å; Y4-F167 AromaticContact CG-CE1 3.88Å; Y4-F167 HydrophobicContact CG-CE1 3.88Å; Y4-F167 AromaticContact CZ-CE1 3.95Å; Y4-F167 AromaticContact CZ-CZ 3.72Å; Y4-V171 HydrophobicContact CD2-CB 4.5Å; Y4-V171 HydrophobicContact CD2-CG1 4.38Å; Y4-V171 HydrophobicContact CD2-CG2 4.18Å; Y4-V171 HydrophobicContact CE2-CB 4.43Å; Y4-V171 HydrophobicContact CE2-CG1 3.99Å; Y4-N175 PolarHBondContact N-O 3.26Å; Y4-F176 HydrophobicContact CG-CD2 4.24Å; Y4-F176 WeakPolarHBondContact O-CA 3.26Å; Y4-V177 PolarHBondContact O-N 3.37Å
5I97.9Very high90.1Very high0 Ų033.3 Ų33.30%022%0.22CC..EExtended strand (participates in β ladder)trans-122.3109.8173.2-59.6176.7000108.3V7 I24 L28 V143 C144 I145 I146 V177 V179 L265 L269I5-V7 HydrophobicContact CG2-CG2 4.2Å; I5-I24 HydrophobicContact CD1-CG2 3.89Å; I5-L28 HydrophobicContact CD1-CD1 3.78Å; I5-V143 HydrophobicContact CD1-CG1 3.67Å; I5-V143 HydrophobicContact CG1-CG1 3.84Å; I5-C144 PolarHBondContact N-O 3.21Å; I5-I145 HydrophobicContact CB-CG1 4.48Å; I5-I145 CarbonylContact O-C 3.59Å; I5-I145 WeakPolarHBondContact O-CA 3.26Å; I5-I146 PolarHBondContact O-N 3.43Å; I5-V177 CarbonylContact C-O 3.54Å; I5-V177 WeakPolarHBondContact CA-O 3.38Å; I5-V179 HydrophobicContact CG2-CG2 3.79Å; I5-L265 HydrophobicContact CD1-CD1 3.91Å; I5-L265 HydrophobicContact CD1-CD2 3.97Å; I5-L265 HydrophobicContact CD1-CG 4.44Å; I5-L265 HydrophobicContact CG1-CD2 4.48Å; I5-L269 HydrophobicContact CD1-CD1 4.09Å; I5-L269 HydrophobicContact CG1-CD1 3.83Å
6L97.5Very high90Very high0 Ų032.4 Ų32.40%022%0.219CC..EExtended strand (participates in β ladder)trans-90.3117.8174.5175.668.1000110.2T8 I146 L148 F164 F176 V177 T178 V179L6-T8 HydrophobicContact CD1-CG2 4.2Å; L6-T8 HydrophobicContact CD2-CG2 3.89Å; L6-T8 HydrophobicContact CG-CG2 3.77Å; L6-I146 HydrophobicContact CD1-CB 4.04Å; L6-I146 HydrophobicContact CD1-CG2 3.8Å; L6-L148 HydrophobicContact CD1-CB 4.24Å; L6-F164 HydrophobicContact CD1-CD1 4.15Å; L6-F164 HydrophobicContact CD1-CD2 3.82Å; L6-F164 HydrophobicContact CD1-CE1 4Å; L6-F164 HydrophobicContact CD1-CE2 3.67Å; L6-F164 HydrophobicContact CD1-CG 4.08Å; L6-F164 HydrophobicContact CD1-CZ 3.76Å; L6-F164 HydrophobicContact CD2-CB 3.81Å; L6-F164 HydrophobicContact CD2-CD1 4.35Å; L6-F164 HydrophobicContact CD2-CD2 3.86Å; L6-F164 HydrophobicContact CD2-CG 3.76Å; L6-F176 HydrophobicContact CB-CE1 3.88Å; L6-F176 HydrophobicContact CB-CZ 3.59Å; L6-F176 HydrophobicContact CD2-CE1 4.29Å; L6-F176 HydrophobicContact CD2-CZ 4.07Å; L6-F176 HydrophobicContact CG-CZ 4.41Å; L6-V177 PolarHBondContact N-O 3.22Å; L6-T178 HydrophobicContact CB-CG2 4.38Å; L6-T178 HydrophobicContact CD2-CG2 4.33Å; L6-T178 CarbonylContact O-C 3.53Å; L6-T178 WeakPolarHBondContact O-CA 3.45Å; L6-V179 PolarHBondContact O-N 3.21Å
7V97Very high90.2Very high0 Ų031.8 Ų31.80%021%0.212CC..EExtended strand (participates in β ladder)trans-101.3121.1174.7-1680000109.2I5 K17 A21 I24 I145 I146 L148 V179 V181I5-V7 HydrophobicContact CG2-CG2 4.2Å; V7-K17 HydrophobicContact CG1-CD 4.46Å; V7-K17 HydrophobicContact CG1-CG 3.79Å; V7-A21 HydrophobicContact CB-CB 4.15Å; V7-A21 HydrophobicContact CG1-CB 4.27Å; V7-A21 HydrophobicContact CG2-CB 3.87Å; V7-I24 HydrophobicContact CG2-CD1 4.2Å; V7-I145 HydrophobicContact CG2-CG2 4.06Å; V7-I146 PolarHBondContact N-O 3.43Å; V7-L148 PolarHBondContact O-N 3.37Å; V7-V179 CarbonylContact C-O 3.54Å; V7-V179 WeakPolarHBondContact CA-O 3.32Å; V7-V179 HydrophobicContact CG2-CB 4.4Å; V7-V181 HydrophobicContact CG1-CG2 3.92Å
8T95.5Very high90.4Very high0 Ų031.1 Ų31.10%021%0.209CC..EExtended strand (participates in β ladder)trans-122.9155.2-178.457.80000111.5L6 L148 L161 V179 H180 V181 F205L6-T8 HydrophobicContact CD1-CG2 4.2Å; L6-T8 HydrophobicContact CD2-CG2 3.89Å; L6-T8 HydrophobicContact CG-CG2 3.77Å; T8-L148 HydrophobicContact CG2-CB 4.35Å; T8-L148 HydrophobicContact CG2-CD2 4.13Å; T8-L161 HydrophobicContact CG2-CD2 4.49Å; T8-V179 PolarHBondContact N-O 3.18Å; T8-V179 PolarHBondContact OG1-O 2.95Å; T8-H180 PolarHBondContact OG1-ND1 2.81Å; T8-V181 PolarHBondContact O-N 3.05Å; T8-F205 HydrophobicContact CG2-CE2 3.92Å; T8-F205 HydrophobicContact CG2-CZ 4.13Å
9G92.6Very high90.6Very high1 Ų131.5 Ų31.51%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-106.4140.417800000111.7V152G9-V152 PolarHBondContact O-N 3.45Å
10G86.3Confident90.9Very high1 Ų130 Ų301%0.0120%0.2CC..  trans-76.2-138.917100000113.2A12 T151 V181 S201G10-A12 VanDerWaalsContact C-N 3.34Å; G10-A12 PolarHBondContact O-N 3.02Å; G10-T151 WeakPolarHBondContact O-CB 3.37Å; G10-T151 WeakPolarHBondContact O-CG2 3.47Å; G10-V181 PolarHBondContact N-O 2.95Å; G10-S201 WeakPolarHBondContact CA-OG 3.25Å
11V79Confident91.2Very high67 Ų6728.6 Ų28.641%0.40619%0.19SC..SBendtrans-69.3-15.3-167.3-63.80000117.3L183 F200V11-L183 HydrophobicContact CG2-CB 4.46Å; V11-F200 HydrophobicContact CG1-CD1 3.7Å; V11-F200 HydrophobicContact CG1-CE1 4.17Å
12A81.3Confident91.6Very high28 Ų2821.3 Ų21.323%0.23116%0.155CC..  trans-127.4138.3-171.200000112.6G10 I15 L183G10-A12 VanDerWaalsContact C-N 3.34Å; G10-A12 PolarHBondContact O-N 3.02Å; A12-I15 HydrophobicContact CB-CG2 3.58Å; A12-L183 HydrophobicContact CB-CD2 4.18Å
13S81.3Confident91.7Very high108 Ų10821.2 Ų21.276%0.75515%0.154SC*.THydrogen-bonded Turntrans-72.7158165.756.70000110.3I15S13-I15 VanDerWaalsContact C-N 3.25Å; S13-I15 PolarHBondContact O-N 2.74Å
14G81.3Confident91.7Very high85 Ų8519.9 Ų19.988%0.87615%0.149SC*.THydrogen-bonded Turntrans72.93.8175.300000116.5G16G14-G16 PolarHBondContact O-N 3.08Å
15I86.6Confident91.6Very high18 Ų1819.6 Ų19.69%0.09215%0.147CC..SBendtrans-67.10.7-179.162.7178.4000115.4A12 S13 V181 L183 R218A12-I15 HydrophobicContact CB-CG2 3.58Å; S13-I15 VanDerWaalsContact C-N 3.25Å; S13-I15 PolarHBondContact O-N 2.74Å; I15-V181 HydrophobicContact CD1-CB 4.04Å; I15-V181 HydrophobicContact CD1-CG1 3.7Å; I15-V181 VanDerWaalsContact CD1-O 3.29Å; I15-V181 WeakPolarHBondContact CD1-O 3.41Å; I15-V181 HydrophobicContact CG1-CG1 4.14Å; I15-L183 HydrophobicContact CG2-CB 4.3Å; I15-L183 HydrophobicContact CG2-CD1 4.47Å; I15-R218 WeakPolarHBondContact O-CG 3.44Å; I15-R218 PolarHBondContact O-NE 2.87Å
16G89.5Confident91.4Very high19 Ų1919.6 Ų19.620%0.19615%0.147CC..SBendtrans88.424-177.600000114.7G14 A18 T19 I20G14-G16 PolarHBondContact O-N 3.08Å; G16-A18 VanDerWaalsContact C-N 3.33Å; G16-A18 PolarHBondContact O-N 3.34Å; G16-T19 VanDerWaalsContact O-CB 3.3Å; G16-T19 WeakPolarHBondContact O-CB 3.3Å; G16-T19 PolarHBondContact O-N 3.5Å; G16-T19 VanDerWaalsContact O-N 3.13Å; G16-I20 WeakPolarHBondContact O-CG1 3.31Å; G16-I20 PolarHBondContact O-N 3.07Å
17K93.2Very high91.3Very high23 Ų2319.8 Ų19.810%0.115%0.148CC..Hα-helixtrans-54.5-46.3177.7180-174.451.2-106.40112.9V7 T19 I20 A21 D147 L148 G150 V181V7-K17 HydrophobicContact CG1-CD 4.46Å; V7-K17 HydrophobicContact CG1-CG 3.79Å; K17-T19 VanDerWaalsContact C-N 3.32Å; K17-T19 PolarHBondContact O-N 3.31Å; K17-I20 PolarHBondContact O-N 3.45Å; K17-A21 PolarHBondContact O-N 3.49Å; K17-D147 WeakPolarHBondContact CD-OD1 3.44Å; K17-D147 WeakPolarHBondContact CE-OD1 3.2Å; K17-L148 WeakPolarHBondContact CD-O 3.24Å; K17-L148 WeakPolarHBondContact CE-O 3.44Å; K17-L148 PolarHBondContact NZ-O 3.43Å; K17-G150 PolarHBondContact NZ-O 3.14Å; K17-V181 HydrophobicContact CG-CG2 4.36Å
18A93.1Very high91.3Very high19 Ų1919.8 Ų19.816%0.15715%0.148CC..Hα-helixtrans-59.8-45.8177.300000110.4G16 I20 A21 T22 A71 Y75G16-A18 VanDerWaalsContact C-N 3.33Å; G16-A18 PolarHBondContact O-N 3.34Å; A18-I20 VanDerWaalsContact C-N 3.31Å; A18-I20 PolarHBondContact O-N 3.48Å; A18-A21 PolarHBondContact O-N 3.44Å; A18-A21 VanDerWaalsContact O-N 3.13Å; A18-T22 WeakPolarHBondContact O-CB 3.42Å; A18-T22 PolarHBondContact O-N 3.38Å; A18-T22 PolarHBondContact O-OG1 2.96Å; A18-A71 HydrophobicContact CB-CB 4.28Å; A18-Y75 HydrophobicContact CB-CE1 4.23Å
19T94.4Very high91.2Very high39 Ų3921.6 Ų21.624%0.23916%0.157CC..Hα-helixtrans-56.2-42.2174.6-460000112.4G16 K17 S23 V249 V252G16-T19 VanDerWaalsContact O-CB 3.3Å; G16-T19 WeakPolarHBondContact O-CB 3.3Å; G16-T19 PolarHBondContact O-N 3.5Å; G16-T19 VanDerWaalsContact O-N 3.13Å; K17-T19 VanDerWaalsContact C-N 3.32Å; K17-T19 PolarHBondContact O-N 3.31Å; T19-S23 WeakPolarHBondContact O-CB 3.44Å; T19-S23 PolarHBondContact O-N 2.93Å; T19-S23 PolarHBondContact O-OG 3.31Å; T19-V249 HydrophobicContact CG2-CB 4.37Å; T19-V249 HydrophobicContact CG2-CG1 4.45Å; T19-V252 HydrophobicContact CG2-CB 4.32Å; T19-V252 HydrophobicContact CG2-CG1 4.35Å; T19-V252 HydrophobicContact CG2-CG2 4.14Å
20I96.1Very high91.2Very high1 Ų121.8 Ų21.81%0.00516%0.158CC..Hα-helixtrans-65.1-47.5175.2-63-58.5000111.1G16 K17 A18 T22 S23 I24 V181 V216 V243 V252 L256G16-I20 WeakPolarHBondContact O-CG1 3.31Å; G16-I20 PolarHBondContact O-N 3.07Å; K17-I20 PolarHBondContact O-N 3.45Å; A18-I20 VanDerWaalsContact C-N 3.31Å; A18-I20 PolarHBondContact O-N 3.48Å; I20-T22 VanDerWaalsContact C-N 3.31Å; I20-T22 PolarHBondContact O-N 2.87Å; I20-S23 PolarHBondContact O-N 2.91Å; I20-I24 HydrophobicContact CG2-CD1 3.95Å; I20-I24 HydrophobicContact CG2-CG1 4.49Å; I20-I24 VanDerWaalsContact O-CG1 3.3Å; I20-I24 WeakPolarHBondContact O-CG1 3.39Å; I20-I24 PolarHBondContact O-N 3.28Å; I20-V181 HydrophobicContact CB-CG2 4.26Å; I20-V181 HydrophobicContact CG1-CG1 4.41Å; I20-V181 HydrophobicContact CG1-CG2 4.34Å; I20-V181 HydrophobicContact CG2-CG2 4.12Å; I20-V216 HydrophobicContact CD1-CG1 3.98Å; I20-V216 HydrophobicContact CG1-CG1 4.24Å; I20-V216 HydrophobicContact CG2-CG1 4.48Å; I20-V216 HydrophobicContact CG2-CG2 4.31Å; I20-V243 HydrophobicContact CD1-CG1 4.43Å; I20-V243 HydrophobicContact CD1-CG2 4.18Å; I20-V252 HydrophobicContact CD1-CG1 3.93Å; I20-L256 HydrophobicContact CD1-CD1 4.3Å; I20-L256 HydrophobicContact CD1-CD2 4.44Å
21A96.9Very high91.6Very high0 Ų022.4 Ų22.40%016%0.161CC..Hα-helixtrans-58.5-44.5178.400000111.8V7 K17 A18 G25 I145 D147V7-A21 HydrophobicContact CB-CB 4.15Å; V7-A21 HydrophobicContact CG1-CB 4.27Å; V7-A21 HydrophobicContact CG2-CB 3.87Å; K17-A21 PolarHBondContact O-N 3.49Å; A18-A21 PolarHBondContact O-N 3.44Å; A18-A21 VanDerWaalsContact O-N 3.13Å; A21-G25 PolarHBondContact O-N 2.77Å; A21-I145 HydrophobicContact CB-CG2 4.04Å; A21-D147 HydrophobicContact CB-CB 4.16Å
22T95.5Very high92.2Very high2 Ų221.4 Ų21.41%0.01216%0.164CC..Hα-helixtrans-66-42.9176.1-50.10000112.1A18 I20 I24 G25 V26 Y75 F78 L79A18-T22 WeakPolarHBondContact O-CB 3.42Å; A18-T22 PolarHBondContact O-N 3.38Å; A18-T22 PolarHBondContact O-OG1 2.96Å; I20-T22 VanDerWaalsContact C-N 3.31Å; I20-T22 PolarHBondContact O-N 2.87Å; T22-I24 VanDerWaalsContact C-N 3.32Å; T22-I24 PolarHBondContact O-N 3.3Å; T22-G25 WeakPolarHBondContact O-CA 3.41Å; T22-G25 PolarHBondContact O-N 3.41Å; T22-V26 PolarHBondContact O-N 2.89Å; T22-Y75 VanDerWaalsContact OG1-CD1 3.22Å; T22-Y75 WeakPolarHBondContact OG1-CD1 3.2Å; T22-F78 HydrophobicContact CG2-CB 3.17Å; T22-F78 HydrophobicContact CG2-CD1 3.94Å; T22-F78 HydrophobicContact CG2-CD2 4.24Å; T22-F78 HydrophobicContact CG2-CG 3.54Å; T22-L79 HydrophobicContact CG2-CG 4.2Å
23S96Very high92.8Very high0 Ų020.2 Ų20.20%015%0.154CC..Hα-helixtrans-65.5-35.8179.6-60.70000112.2T19 I20 G25 V26 I27 V252 P253T19-S23 WeakPolarHBondContact O-CB 3.44Å; T19-S23 PolarHBondContact O-N 2.93Å; T19-S23 PolarHBondContact O-OG 3.31Å; I20-S23 PolarHBondContact O-N 2.91Å; S23-G25 VanDerWaalsContact C-N 3.3Å; S23-G25 PolarHBondContact O-N 2.73Å; S23-V26 PolarHBondContact O-N 2.95Å; S23-I27 WeakPolarHBondContact O-CD1 3.49Å; S23-I27 VanDerWaalsContact O-CG1 3.23Å; S23-I27 WeakPolarHBondContact O-CG1 3.28Å; S23-I27 PolarHBondContact O-N 3.35Å; S23-V252 WeakPolarHBondContact OG-CG1 3.45Å; S23-P253 WeakPolarHBondContact OG-CD 3.29Å
24I97.1Very high93.5Very high1 Ų116.9 Ų16.91%0.00513%0.125CC..Hα-helixtrans-58.3-45.6170.1-70.8164.3000110.2I5 V7 I20 T22 V26 I27 L28 I145 V179 L256 L261 L265I5-I24 HydrophobicContact CD1-CG2 3.89Å; V7-I24 HydrophobicContact CG2-CD1 4.2Å; I20-I24 HydrophobicContact CG2-CD1 3.95Å; I20-I24 HydrophobicContact CG2-CG1 4.49Å; I20-I24 VanDerWaalsContact O-CG1 3.3Å; I20-I24 WeakPolarHBondContact O-CG1 3.39Å; I20-I24 PolarHBondContact O-N 3.28Å; T22-I24 VanDerWaalsContact C-N 3.32Å; T22-I24 PolarHBondContact O-N 3.3Å; I24-V26 PolarHBondContact O-N 3.45Å; I24-I27 PolarHBondContact O-N 3.24Å; I24-L28 HydrophobicContact CG2-CD1 3.94Å; I24-L28 HydrophobicContact CG2-CG 4.43Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 VanDerWaalsContact O-CG 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.39Å; I24-L28 PolarHBondContact O-N 3.22Å; I24-I145 HydrophobicContact CB-CD1 4.41Å; I24-I145 HydrophobicContact CG2-CD1 4.01Å; I24-V179 HydrophobicContact CD1-CB 4.49Å; I24-V179 HydrophobicContact CD1-CG1 4.22Å; I24-V179 HydrophobicContact CD1-CG2 4.13Å; I24-L256 HydrophobicContact CG1-CD1 4.47Å; I24-L261 HydrophobicContact CD1-CD2 4.36Å; I24-L261 HydrophobicContact CG1-CD2 3.79Å; I24-L265 HydrophobicContact CG2-CD1 3.68Å
25G95.8Very high94.2Very high0 Ų013 Ų130%08%0.083CC..Hα-helixtrans-60.8-43.5177.200000112.8A21 T22 S23 I27 L28 Q29A21-G25 PolarHBondContact O-N 2.77Å; T22-G25 WeakPolarHBondContact O-CA 3.41Å; T22-G25 PolarHBondContact O-N 3.41Å; S23-G25 VanDerWaalsContact C-N 3.3Å; S23-G25 PolarHBondContact O-N 2.73Å; G25-I27 PolarHBondContact O-N 3.25Å; G25-L28 PolarHBondContact O-N 2.77Å; G25-Q29 WeakPolarHBondContact O-CG 3.43Å; G25-Q29 PolarHBondContact O-N 2.65Å
26V94.4Very high94.6Very high0 Ų012.1 Ų12.10%08%0.079CC..Hα-helixtrans-59.8-47.4177.8167.80000111T22 S23 I24 L28 Q29 C30 F78 L79 P253 W284T22-V26 PolarHBondContact O-N 2.89Å; S23-V26 PolarHBondContact O-N 2.95Å; I24-V26 PolarHBondContact O-N 3.45Å; V26-L28 PolarHBondContact O-N 3.17Å; V26-Q29 PolarHBondContact O-N 3.33Å; V26-C30 PolarHBondContact O-N 3.39Å; V26-C30 PolarHBondContact O-SG 2.88Å; V26-F78 HydrophobicContact CG2-CB 3.96Å; V26-F78 HydrophobicContact CG2-CD1 4.08Å; V26-L79 HydrophobicContact CB-CD2 4.48Å; V26-L79 HydrophobicContact CG2-CD2 3.8Å; V26-P253 HydrophobicContact CB-CB 4.25Å; V26-P253 HydrophobicContact CB-CG 4.22Å; V26-P253 HydrophobicContact CG1-CB 3.82Å; V26-P253 HydrophobicContact CG1-CG 4.04Å; V26-W284 HydrophobicContact CG1-CD2 3.9Å; V26-W284 VanDerWaalsContact CG1-CE2 3.42Å; V26-W284 HydrophobicContact CG1-CG 4.04Å; V26-W284 HydrophobicContact CG1-CZ2 3.88Å; V26-W284 VanDerWaalsContact CG1-NE1 3.32Å; V26-W284 HydrophobicContact CG2-CH2 4.39Å; V26-W284 HydrophobicContact CG2-CZ2 3.84Å
27I95.2Very high94.9Very high3 Ų311.2 Ų11.22%0.0157%0.07CC..Hα-helixtrans-63-45.4-179.4-66.1160.8000110.2S23 I24 G25 Q29 C30 H31 P253 L256 A257 A262S23-I27 WeakPolarHBondContact O-CD1 3.49Å; S23-I27 VanDerWaalsContact O-CG1 3.23Å; S23-I27 WeakPolarHBondContact O-CG1 3.28Å; S23-I27 PolarHBondContact O-N 3.35Å; I24-I27 PolarHBondContact O-N 3.24Å; G25-I27 PolarHBondContact O-N 3.25Å; I27-Q29 VanDerWaalsContact C-N 3.34Å; I27-Q29 PolarHBondContact O-N 3.07Å; I27-C30 WeakPolarHBondContact O-CB 3.33Å; I27-C30 PolarHBondContact O-N 3.24Å; I27-C30 VanDerWaalsContact O-N 3.12Å; I27-H31 PolarHBondContact O-CD2 3Å; I27-H31 PolarHBondContact O-N 3.19Å; I27-H31 VanDerWaalsContact O-N 3.17Å; I27-P253 VanDerWaalsContact CD1-O 3.25Å; I27-P253 WeakPolarHBondContact CD1-O 3.43Å; I27-P253 HydrophobicContact CG1-CB 4.19Å; I27-P253 WeakPolarHBondContact CG1-O 3.33Å; I27-L256 HydrophobicContact CD1-CB 3.34Å; I27-L256 HydrophobicContact CD1-CD1 4.1Å; I27-L256 HydrophobicContact CD1-CG 4.36Å; I27-A257 HydrophobicContact CD1-CB 4.39Å; I27-A257 HydrophobicContact CG1-CB 4.29Å; I27-A257 HydrophobicContact CG2-CB 4.47Å; I27-A262 HydrophobicContact CG2-CB 3.44Å; I27-A262 VanDerWaalsContact CG2-CB 3.44Å
28L95.7Very high95.1Very high1 Ų110.1 Ų10.11%0.0057%0.065CC..Hα-helixtrans-60.1-43.2176.7-71.8176.4000111.9I5 I24 G25 V26 C30 H31 G32 V33 V35 V143 L265 L271I5-L28 HydrophobicContact CD1-CD1 3.78Å; I24-L28 HydrophobicContact CG2-CD1 3.94Å; I24-L28 HydrophobicContact CG2-CG 4.43Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 VanDerWaalsContact O-CG 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.39Å; I24-L28 PolarHBondContact O-N 3.22Å; G25-L28 PolarHBondContact O-N 2.77Å; V26-L28 PolarHBondContact O-N 3.17Å; L28-C30 VanDerWaalsContact C-N 3.31Å; L28-C30 PolarHBondContact O-N 3.22Å; L28-H31 CarbonylContact O-C 3.59Å; L28-H31 PolarHBondContact O-N 3.44Å; L28-H31 VanDerWaalsContact O-N 3.1Å; L28-G32 PolarHBondContact O-N 2.86Å; L28-V33 HydrophobicContact CB-CB 4.07Å; L28-V33 HydrophobicContact CB-CG1 4.35Å; L28-V33 HydrophobicContact CD2-CG2 4.5Å; L28-V33 WeakPolarHBondContact O-CB 3.29Å; L28-V33 PolarHBondContact O-N 3.42Å; L28-V35 HydrophobicContact CB-CG1 3.7Å; L28-V35 HydrophobicContact CD1-CG1 4.04Å; L28-V143 HydrophobicContact CD1-CB 4.36Å; L28-V143 HydrophobicContact CD1-CG1 4.06Å; L28-V143 HydrophobicContact CD1-CG2 4.34Å; L28-L265 HydrophobicContact CD2-CB 4.46Å; L28-L265 HydrophobicContact CD2-CD1 4.37Å; L28-L271 HydrophobicContact CD2-CD1 3.8Å
29Q93.5Very high95.2Very high38 Ų3810.2 Ų10.218%0.1786%0.061CC..Hα-helixtrans-61.2-39.3173.9-75.2179.7-41.700112.2G25 V26 I27 H31 G32 V33 V35 L79 M280G25-Q29 WeakPolarHBondContact O-CG 3.43Å; G25-Q29 PolarHBondContact O-N 2.65Å; V26-Q29 PolarHBondContact O-N 3.33Å; I27-Q29 VanDerWaalsContact C-N 3.34Å; I27-Q29 PolarHBondContact O-N 3.07Å; Q29-H31 PolarHBondContact O-N 3.38Å; Q29-G32 PolarHBondContact O-N 2.91Å; Q29-V33 WeakPolarHBondContact CA-O 3.22Å; Q29-V35 HydrophobicContact CG-CG2 3.76Å; Q29-L79 PolarHBondContact NE2-O 3.44Å; Q29-L79 PolarHBondContact OE1-O 2.72Å; Q29-M280 WeakPolarHBondContact O-CE 3.49Å
30C93Very high95.3Very high5 Ų58.3 Ų8.33%0.0345%0.05CC..Hα-helixtrans-61.6-27176.3-66.30000112.7V26 I27 L28 S278 M280 L281 W284V26-C30 PolarHBondContact O-N 3.39Å; V26-C30 PolarHBondContact O-SG 2.88Å; I27-C30 WeakPolarHBondContact O-CB 3.33Å; I27-C30 PolarHBondContact O-N 3.24Å; I27-C30 VanDerWaalsContact O-N 3.12Å; L28-C30 VanDerWaalsContact C-N 3.31Å; L28-C30 PolarHBondContact O-N 3.22Å; C30-S278 WeakPolarHBondContact O-CA 3.13Å; C30-S278 WeakPolarHBondContact O-CB 3.32Å; C30-M280 HydrophobicContact CB-CB 4.24Å; C30-L281 HydrophobicContact CB-CB 4.19Å; C30-W284 VanDerWaalsContact SG-CD1 3.58Å
31H94.3Very high95.2Very high14 Ų148.7 Ų8.77%0.0655%0.052CC..THydrogen-bonded Turntrans-96.317176-72.1-80.6000113.4I27 L28 Q29 V33 Y274 S275I27-H31 PolarHBondContact O-CD2 3Å; I27-H31 PolarHBondContact O-N 3.19Å; I27-H31 VanDerWaalsContact O-N 3.17Å; L28-H31 CarbonylContact O-C 3.59Å; L28-H31 PolarHBondContact O-N 3.44Å; L28-H31 VanDerWaalsContact O-N 3.1Å; Q29-H31 PolarHBondContact O-N 3.38Å; H31-V33 VanDerWaalsContact C-N 3.33Å; H31-V33 PolarHBondContact O-N 3.31Å; H31-Y274 HydrophobicContact CB-CD2 3.62Å; H31-Y274 HydrophobicContact CB-CE2 3.45Å; H31-Y274 VanDerWaalsContact CB-CE2 3.45Å; H31-Y274 HydrophobicContact CB-CG 4.43Å; H31-Y274 AromaticContact CD2-CE2 3.97Å; H31-Y274 AromaticContact CE1-CZ 3.95Å; H31-Y274 PolarHBondContact CE1-OH 3.47Å; H31-Y274 AromaticContact CG-CE2 3.47Å; H31-Y274 VanDerWaalsContact CG-CE2 3.47Å; H31-Y274 AromaticContact CG-CZ 3.77Å; H31-Y274 AromaticContact ND1-CE2 3.78Å; H31-Y274 AromaticContact ND1-CZ 3.57Å; H31-S275 PolarHBondContact ND1-O 2.75Å; H31-S275 PolarHBondContact O-N 2.8Å
32G92.2Very high95.1Very high46 Ų469.1 Ų9.147%0.4746%0.055SC..THydrogen-bonded Turntrans80.56.7174.900000115.4L28 Q29L28-G32 PolarHBondContact O-N 2.86Å; Q29-G32 PolarHBondContact O-N 2.91Å
33V94.8Very high94.9Very high3 Ų310.1 Ų10.12%0.0186%0.059CC..  trans-87.5125.7-179.4-1790000109.8L28 Q29 H31 D142 V143 L271 Y274L28-V33 HydrophobicContact CB-CB 4.07Å; L28-V33 HydrophobicContact CB-CG1 4.35Å; L28-V33 HydrophobicContact CD2-CG2 4.5Å; L28-V33 WeakPolarHBondContact O-CB 3.29Å; L28-V33 PolarHBondContact O-N 3.42Å; Q29-V33 WeakPolarHBondContact CA-O 3.22Å; H31-V33 VanDerWaalsContact C-N 3.33Å; H31-V33 PolarHBondContact O-N 3.31Å; V33-D142 HydrophobicContact CG1-CB 3.8Å; V33-V143 HydrophobicContact CG1-CB 4.37Å; V33-V143 HydrophobicContact CG1-CG2 3.6Å; V33-L271 HydrophobicContact CG1-CD1 4.35Å; V33-L271 HydrophobicContact CG2-CD1 4.11Å; V33-Y274 HydrophobicContact CG2-CD2 4.14Å
34R94.6Very high94.8Very high38 Ų3816 Ų1614%0.1439%0.09CC..  trans-79.1127177.1-63.7174.861.8-165.7-3.3110.3D135 L137 Y138 G139 D142 V143R34-D135 IonicContact CZ-OD1 2.7Å; R34-D135 IonicContact CZ-OD2 3.24Å; R34-D135 IonicContact NE-OD1 2.57Å; R34-D135 IonicContact NE-OD2 2.7Å; R34-D135 PolarHBondContact NE-OD2 3.48Å; R34-D135 IonicContact NH2-OD1 2.9Å; R34-D135 PolarHBondContact NH2-OD1 3.34Å; R34-D135 IonicContact NH2-OD2 3.79Å; R34-D135 PolarHBondContact NH2-OD2 2.67Å; R34-D135 VanDerWaalsContact NH2-OD2 3.15Å; R34-L137 PolarHBondContact NH2-O 3.05Å; R34-L137 VanDerWaalsContact NH2-O 3.14Å; R34-Y138 PolarHBondContact NH1-O 2.93Å; R34-G139 PolarHBondContact NH2-O 3.06Å; R34-D142 WeakPolarHBondContact CB-OD2 3.26Å; R34-D142 PolarHBondContact N-OD2 2.89Å; R34-D142 WeakPolarHBondContact O-CA 3.36Å; R34-D142 WeakPolarHBondContact O-CB 3.39Å; R34-D142 PolarHBondContact O-N 3.3Å; R34-V143 PolarHBondContact O-N 2.91Å
35V95.5Very high94.6Very high2 Ų219.1 Ų19.11%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-115.1146.3-176.4-56.20000111.7L28 Q29 L79 V143L28-V35 HydrophobicContact CB-CG1 3.7Å; L28-V35 HydrophobicContact CD1-CG1 4.04Å; Q29-V35 HydrophobicContact CG-CG2 3.76Å; V35-L79 HydrophobicContact CG2-CD1 4.38Å; V35-L79 HydrophobicContact CG2-CD2 4.32Å; V35-V143 CarbonylContact C-O 3.29Å; V35-V143 VanDerWaalsContact CA-O 3.3Å; V35-V143 WeakPolarHBondContact CA-O 3.41Å; V35-V143 HydrophobicContact CG1-CB 4.41Å
36T95.8Very high94.5Very high1 Ų123.4 Ų23.41%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-119.8160159-174.20000109.3I134 P141 V143 C144 I145T36-I134 WeakPolarHBondContact OG1-CD1 3.35Å; T36-P141 HydrophobicContact CG2-CB 3.91Å; T36-P141 HydrophobicContact CG2-CG 3.95Å; T36-V143 PolarHBondContact N-O 3.47Å; T36-C144 HydrophobicContact CG2-CB 3.63Å; T36-C144 WeakPolarHBondContact O-CA 3.38Å; T36-I145 PolarHBondContact O-N 3.01Å
37L96.4Very high94.3Very high0 Ų025.6 Ų25.60%014%0.14CC..EExtended strand (participates in β ladder)trans-133.7131.5-178.1-168.9155.1000110.5Y75 L79 I81 L83 H87 I145L37-Y75 HydrophobicContact CD1-CD1 3.5Å; L37-Y75 HydrophobicContact CD1-CD2 4.4Å; L37-Y75 HydrophobicContact CD1-CE1 3.86Å; L37-Y75 HydrophobicContact CD1-CG 3.8Å; L37-Y75 HydrophobicContact CD2-CD1 3.87Å; L37-Y75 HydrophobicContact CD2-CD2 3.31Å; L37-Y75 HydrophobicContact CD2-CE1 3.9Å; L37-Y75 HydrophobicContact CD2-CE2 3.38Å; L37-Y75 HydrophobicContact CD2-CG 3.59Å; L37-Y75 HydrophobicContact CG-CD1 4.36Å; L37-Y75 HydrophobicContact CG-CD2 4.45Å; L37-Y75 HydrophobicContact CG-CG 4.3Å; L37-L79 HydrophobicContact CB-CD1 4.38Å; L37-L79 HydrophobicContact CD1-CD1 3.92Å; L37-I81 HydrophobicContact CB-CD1 4.48Å; L37-L83 WeakPolarHBondContact O-CD2 3.35Å; L37-H87 PolarHBondContact O-CD2 3.37Å; L37-H87 VanDerWaalsContact O-CD2 3.23Å; L37-I145 CarbonylContact C-O 3.56Å; L37-I145 WeakPolarHBondContact CA-O 3.35Å; L37-I145 HydrophobicContact CD1-CG2 4.5Å; L37-I145 HydrophobicContact CG-CB 4.33Å
38L96.1Very high94Very high0 Ų025.5 Ų25.50%014%0.139CC..EExtended strand (participates in β ladder)trans-123.4135175.8-179.4143.3000109.5V40 H87 I89 I126 V129 I145 I146 D147L38-V40 HydrophobicContact CD2-CG2 3.5Å; L38-V40 VanDerWaalsContact CD2-CG2 3.5Å; L38-H87 WeakPolarHBondContact CA-O 3.34Å; L38-I89 HydrophobicContact CD1-CD1 3.92Å; L38-I89 HydrophobicContact CD1-CG1 4.08Å; L38-I89 HydrophobicContact CD2-CD1 3.69Å; L38-I89 HydrophobicContact CD2-CG1 3.96Å; L38-I89 HydrophobicContact CG-CD1 4.3Å; L38-I89 HydrophobicContact CG-CG1 4.28Å; L38-I126 HydrophobicContact CD1-CG1 4.43Å; L38-I126 HydrophobicContact CD2-CG1 4.37Å; L38-V129 HydrophobicContact CD1-CB 3.95Å; L38-V129 HydrophobicContact CD1-CG1 3.91Å; L38-I145 PolarHBondContact N-O 3.19Å; L38-I146 HydrophobicContact CD2-CG2 3.98Å; L38-I146 CarbonylContact O-C 3.58Å; L38-I146 VanDerWaalsContact O-CA 3.28Å; L38-I146 WeakPolarHBondContact O-CA 3.2Å; L38-D147 PolarHBondContact O-N 2.97Å
39R96.3Very high93.5Very high20 Ų2026.9 Ų26.98%0.07515%0.149CC..EExtended strand (participates in β ladder)trans-108.6135175.1-172.7177.6173.299.4-22.4110.3D69 F72 Y75 H87 I89 D147R39-D69 IonicContact CZ-OD1 2.86Å; R39-D69 IonicContact CZ-OD2 3.41Å; R39-D69 IonicContact NE-OD1 3.74Å; R39-D69 PolarHBondContact NE-OD1 2.92Å; R39-D69 IonicContact NE-OD2 3.66Å; R39-D69 PolarHBondContact NE-OD2 3.03Å; R39-D69 IonicContact NH2-OD1 3.59Å; R39-D69 PolarHBondContact NH2-OD1 3.38Å; R39-D69 IonicContact NH2-OD2 2.82Å; R39-D69 PolarHBondContact NH2-OD2 3.48Å; R39-F72 HydrophobicContact CB-CE2 4Å; R39-F72 HydrophobicContact CB-CZ 3.76Å; R39-F72 HydrophobicContact CG-CE2 4.43Å; R39-Y75 HydrophobicContact CB-CE2 4.08Å; R39-Y75 WeakPolarHBondContact CD-OH 3.39Å; R39-Y75 HydrophobicContact CG-CE2 4.48Å; R39-Y75 PolarHBondContact NH1-OH 3.17Å; R39-H87 PolarHBondContact N-O 2.76Å; R39-I89 PolarHBondContact O-N 3.45Å; R39-D147 WeakPolarHBondContact CA-O 3.48Å; R39-D147 IonicContact NH1-OD2 3.71Å; R39-D147 PolarHBondContact NH1-OD2 3.41Å
40V96.3Very high93.1Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-111.1112.2174.3-177.70000108.9L38 I89 I146 D147 L148 K149 F160 F164L38-V40 HydrophobicContact CD2-CG2 3.5Å; L38-V40 VanDerWaalsContact CD2-CG2 3.5Å; V40-I89 WeakPolarHBondContact CA-O 3.46Å; V40-I89 HydrophobicContact CG1-CB 4.49Å; V40-I89 HydrophobicContact CG1-CG2 4.44Å; V40-I89 HydrophobicContact CG2-CB 4.14Å; V40-I89 HydrophobicContact CG2-CD1 4.2Å; V40-I89 HydrophobicContact CG2-CG1 4.5Å; V40-I146 HydrophobicContact CG2-CG2 3.95Å; V40-D147 PolarHBondContact N-O 3.28Å; V40-L148 HydrophobicContact CB-CD1 3.83Å; V40-L148 HydrophobicContact CG1-CD1 3.64Å; V40-K149 VanDerWaalsContact O-CB 3.29Å; V40-K149 WeakPolarHBondContact O-CB 3.3Å; V40-K149 PolarHBondContact O-N 3.48Å; V40-F160 HydrophobicContact CG1-CB 4.26Å; V40-F160 HydrophobicContact CG1-CD1 3.25Å; V40-F160 HydrophobicContact CG1-CD2 4.36Å; V40-F160 HydrophobicContact CG1-CE1 3.53Å; V40-F160 HydrophobicContact CG1-CG 3.71Å; V40-F160 HydrophobicContact CG1-CZ 4.19Å; V40-F164 HydrophobicContact CG2-CZ 3.91Å
41D94.2Very high92.7Very high9 Ų930.6 Ų30.65%0.04818%0.175CC..EExtended strand (participates in β ladder)trans-111104.6176.9-173.7-14000109.8K43 I89 T90 G91 K149D41-K43 HydrophobicContact CB-CG 4.34Å; D41-K43 PolarHBondContact O-N 3.07Å; D41-K43 WeakPolarHBondContact OD1-CB 3.23Å; D41-K43 WeakPolarHBondContact OD1-CG 3.49Å; D41-K43 PolarHBondContact OD1-N 3.15Å; D41-K43 WeakPolarHBondContact OD2-CD 3.41Å; D41-K43 WeakPolarHBondContact OD2-CE 3.3Å; D41-K43 IonicContact OD2-NZ 2.69Å; D41-I89 PolarHBondContact N-O 2.88Å; D41-T90 HydrophobicContact CB-CG2 4.4Å; D41-T90 WeakPolarHBondContact O-CA 3.18Å; D41-G91 PolarHBondContact O-N 3.45Å; D41-K149 HydrophobicContact CB-CB 4.46Å; D41-K149 HydrophobicContact CB-CD 3.94Å; D41-K149 WeakPolarHBondContact OD2-CD 3.12Å; D41-K149 IonicContact OD2-NZ 3.73Å; D41-K149 PolarHBondContact OD2-NZ 3.32Å
42P94.1Very high92Very high9 Ų933.1 Ų33.16%0.05819%0.192CC..  trans-68.310.4-173.928.6-34.8000115.1K149 Q156 F160P42-K149 WeakPolarHBondContact CD-O 3.45Å; P42-Q156 HydrophobicContact CB-CB 3.9Å; P42-Q156 VanDerWaalsContact CB-O 3.28Å; P42-Q156 WeakPolarHBondContact CB-O 3.29Å; P42-Q156 HydrophobicContact CG-CB 4.36Å; P42-F160 HydrophobicContact CB-CD2 3.86Å; P42-F160 HydrophobicContact CB-CE2 3.67Å
43K92.5Very high91.3Very high23 Ų2332.8 Ų32.810%0.118%0.18CC..  trans-63.4155.2172.472.7-177.7175.9-179.40113.9D41 N45 S48 H56 T90 G91 G92D41-K43 HydrophobicContact CB-CG 4.34Å; D41-K43 PolarHBondContact O-N 3.07Å; D41-K43 WeakPolarHBondContact OD1-CB 3.23Å; D41-K43 WeakPolarHBondContact OD1-CG 3.49Å; D41-K43 PolarHBondContact OD1-N 3.15Å; D41-K43 WeakPolarHBondContact OD2-CD 3.41Å; D41-K43 WeakPolarHBondContact OD2-CE 3.3Å; D41-K43 IonicContact OD2-NZ 2.69Å; K43-N45 HydrophobicContact CD-CB 4.11Å; K43-N45 HydrophobicContact CG-CB 4.33Å; K43-S48 PolarHBondContact NZ-OG 3.05Å; K43-H56 PolarHBondContact NZ-NE2 2.81Å; K43-T90 HydrophobicContact CG-CG2 4.32Å; K43-G91 CarbonylContact O-C 3.55Å; K43-G91 VanDerWaalsContact O-CA 3.28Å; K43-G91 WeakPolarHBondContact O-CA 3.27Å; K43-G91 PolarHBondContact O-N 3.4Å; K43-G92 PolarHBondContact O-N 3.46Å
44L93.6Very high90.5Very high123 Ų12339.9 Ų39.964%0.64421%0.211SC*.SBendtrans-82.8-15.4176.5-67.6-179.3000114I46 G92 Y95L44-I46 PolarHBondContact O-N 2.86Å; L44-G92 WeakPolarHBondContact O-CA 3.42Å; L44-Y95 HydrophobicContact CD2-CD2 4.42Å
45N93.2Very high89.7Confident67 Ų6744.5 Ų44.536%0.35824%0.239SC..  trans-64.2135171.7-56.372.7000109.5K43 D47 T50 T90K43-N45 HydrophobicContact CD-CB 4.11Å; K43-N45 HydrophobicContact CG-CB 4.33Å; N45-D47 VanDerWaalsContact C-N 3.29Å; N45-D47 WeakPolarHBondContact CB-O 3.33Å; N45-T50 PolarHBondContact ND2-OG1 3.23Å; N45-T90 VanDerWaalsContact O-CB 3.26Å; N45-T90 WeakPolarHBondContact O-CB 3.26Å; N45-T90 PolarHBondContact O-OG1 3.34Å
46I92Very high88.8Confident89 Ų8946 Ų4646%0.45625%0.245SC..SBendtrans-64.4-40175.8-67.3176.3000109.9L44 T90 K93L44-I46 PolarHBondContact O-N 2.86Å; I46-T90 PolarHBondContact O-OG1 3.01Å; I46-K93 HydrophobicContact CB-CG 4.47Å; I46-K93 HydrophobicContact CG2-CG 3.79Å; I46-K93 WeakPolarHBondContact O-CE 3.42Å
47D90.5Very high88.4Confident46 Ų4646 Ų4625%0.24625%0.245CC..SBendtrans-144.4-169.217864.522.9000110N45 S49 E67N45-D47 VanDerWaalsContact C-N 3.29Å; N45-D47 WeakPolarHBondContact CB-O 3.33Å; D47-S49 WeakPolarHBondContact OD1-CB 3.25Å; D47-S49 PolarHBondContact OD1-N 2.96Å; D47-S49 PolarHBondContact OD1-OG 3.44Å; D47-E67 WeakPolarHBondContact CB-O 3.26Å
48S88.7Confident88.1Confident1 Ų146.5 Ų46.51%0.00725%0.248CC..SBendtrans-99.26.6179.5-570000113.4K43 T50 C51 H56 I59 E67K43-S48 PolarHBondContact NZ-OG 3.05Å; S48-T50 VanDerWaalsContact C-N 3.28Å; S48-T50 PolarHBondContact O-N 3.31Å; S48-C51 WeakPolarHBondContact O-CB 3.47Å; S48-C51 PolarHBondContact O-N 2.91Å; S48-C51 VanDerWaalsContact O-N 3.17Å; S48-H56 WeakPolarHBondContact CB-CE1 3.15Å; S48-H56 WeakPolarHBondContact CB-NE2 3.44Å; S48-H56 PolarHBondContact OG-CE1 3.34Å; S48-H56 PolarHBondContact OG-NE2 3.21Å; S48-I59 WeakPolarHBondContact O-CD1 3.48Å; S48-E67 WeakPolarHBondContact CB-O 3.24Å; S48-E67 PolarHBondContact N-O 3.15Å
49S86Confident87.9Confident30 Ų3046.9 Ų46.921%0.2125%0.25CC..THydrogen-bonded Turntrans-60.7-35.1-17365.30000114.1D47 E67D47-S49 WeakPolarHBondContact OD1-CB 3.25Å; D47-S49 PolarHBondContact OD1-N 2.96Å; D47-S49 PolarHBondContact OD1-OG 3.44Å; S49-E67 WeakPolarHBondContact CA-OE2 3.42Å; S49-E67 WeakPolarHBondContact CB-OE2 3.45Å
50T84.4Confident87.8Confident103 Ų10345.9 Ų45.963%0.63225%0.246SC*.THydrogen-bonded Turntrans-92.7-5.2-176.450.80000113.1N45 S48N45-T50 PolarHBondContact ND2-OG1 3.23Å; S48-T50 VanDerWaalsContact C-N 3.28Å; S48-T50 PolarHBondContact O-N 3.31Å
51C84.8Confident87.8Confident19 Ų1945.9 Ų45.913%0.12825%0.246CC..  trans-74.4150178.8-62.10000111.2S48 H56 R373S48-C51 WeakPolarHBondContact O-CB 3.47Å; S48-C51 PolarHBondContact O-N 2.91Å; S48-C51 VanDerWaalsContact O-N 3.17Å; C51-H56 HydrophobicContact CB-CB 3.59Å; C51-R373 PolarHBondContact O-NH1 3.16Å
52T79.5Confident87.9Confident67 Ų6745.5 Ų45.541%0.41124%0.244SC..  trans-86.4149.9172750000109.6K54 D55 H56T52-K54 PolarHBondContact O-N 2.98Å; T52-D55 PolarHBondContact O-N 3.35Å; T52-D55 VanDerWaalsContact OG1-CG 3.29Å; T52-D55 PolarHBondContact OG1-N 3.31Å; T52-D55 PolarHBondContact OG1-OD2 2.74Å; T52-H56 VanDerWaalsContact O-CB 3.3Å; T52-H56 WeakPolarHBondContact O-CB 3.46Å; T52-H56 PolarHBondContact O-N 2.83Å
53V78.6Confident87.9Confident38 Ų3846.8 Ų46.823%0.2325%0.25CS..Hα-helixtrans-62.2-31.4175.61790000111.4G57 A312V53-G57 WeakPolarHBondContact CA-O 3.34Å; V53-G57 WeakPolarHBondContact O-CA 3.36Å; V53-G57 PolarHBondContact O-N 3Å; V53-A312 HydrophobicContact CG1-CB 3.41Å; V53-A312 VanDerWaalsContact CG1-CB 3.41Å
54K77.7Confident88Confident153 Ų15349.6 Ų49.667%0.66527%0.267SS*.Hα-helixtrans-64.8-39.5179.8-174.6-178.1175.7-173.40112.9T52T52-K54 PolarHBondContact O-N 2.98Å
55D76.5Confident88Confident135 Ų13544.3 Ų44.372%0.72224%0.242SC*.Hα-helixtrans-96.1-23.7-174.3-54.7-41.4000112.7T52T52-D55 PolarHBondContact O-N 3.35Å; T52-D55 VanDerWaalsContact OG1-CG 3.29Å; T52-D55 PolarHBondContact OG1-N 3.31Å; T52-D55 PolarHBondContact OG1-OD2 2.74Å
56H78.5Confident88.1Confident33 Ų3342.6 Ų42.615%0.15324%0.235CC..Hα-helixtrans-117.8-14.2-170.8-174.6-83.1000113.8K43 S48 C51 T52 D69K43-H56 PolarHBondContact NZ-NE2 2.81Å; S48-H56 WeakPolarHBondContact CB-CE1 3.15Å; S48-H56 WeakPolarHBondContact CB-NE2 3.44Å; S48-H56 PolarHBondContact OG-CE1 3.34Å; S48-H56 PolarHBondContact OG-NE2 3.21Å; C51-H56 HydrophobicContact CB-CB 3.59Å; T52-H56 VanDerWaalsContact O-CB 3.3Å; T52-H56 WeakPolarHBondContact O-CB 3.46Å; T52-H56 PolarHBondContact O-N 2.83Å; H56-D69 VanDerWaalsContact CE1-CB 3.46Å; H56-D69 WeakPolarHBondContact CE1-CB 3.41Å
57G85.9Confident88.2Confident1 Ų138.5 Ų38.51%0.0121%0.214CC..  trans72.2-160.5-166.600000112.1V53V53-G57 WeakPolarHBondContact CA-O 3.34Å; V53-G57 WeakPolarHBondContact O-CA 3.36Å; V53-G57 PolarHBondContact O-N 3Å
58E90.7Very high88.4Confident10 Ų1036.3 Ų36.35%0.04720%0.202CC..  trans-54.7139.5178.3-175.4179.5-111.300112.6A70 E311 A314 S315 F523E58-A70 HydrophobicContact CB-CB 4.34Å; E58-E311 WeakPolarHBondContact CB-O 3.11Å; E58-E311 PolarHBondContact N-O 3.09Å; E58-A314 PolarHBondContact OE1-N 3.44Å; E58-S315 VanDerWaalsContact CD-N 3.33Å; E58-S315 VanDerWaalsContact CD-OG 3.28Å; E58-S315 VanDerWaalsContact OE1-CB 3.23Å; E58-S315 WeakPolarHBondContact OE1-CB 3.28Å; E58-S315 PolarHBondContact OE1-N 3.47Å; E58-S315 PolarHBondContact OE1-OG 3.32Å; E58-S315 VanDerWaalsContact OE2-CB 3.24Å; E58-S315 WeakPolarHBondContact OE2-CB 3.46Å; E58-S315 PolarHBondContact OE2-N 3.01Å; E58-S315 PolarHBondContact OE2-OG 3.44Å; E58-F523 HydrophobicContact CG-CE1 4.35Å
59I92.6Very high88.4Confident8 Ų836.6 Ų36.64%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-93.6109.7169.3-60.7173.3000107.4S48 E67 F523S48-I59 WeakPolarHBondContact O-CD1 3.48Å; I59-E67 HydrophobicContact CG2-CB 3.62Å; I59-E67 HydrophobicContact CG2-CG 3.84Å; I59-F523 WeakPolarHBondContact O-CZ 3.49Å
60F94.5Very high88.6Confident0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-83.2133.4179.5-165.9-102.7000110.4L62 E67 L68 D69 F72 G73 S315 R471 F523F60-L62 HydrophobicContact CD1-CD2 3.88Å; F60-L62 HydrophobicContact CE1-CD2 3.72Å; F60-E67 CarbonylContact O-C 3.6Å; F60-E67 WeakPolarHBondContact O-CA 3.36Å; F60-L68 PolarHBondContact N-O 3.4Å; F60-L68 PolarHBondContact O-N 2.95Å; F60-D69 WeakPolarHBondContact CB-O 3.23Å; F60-F72 HydrophobicContact CD1-CB 3.72Å; F60-F72 HydrophobicContact CE1-CB 4.24Å; F60-F72 HydrophobicContact CG-CB 4.42Å; F60-G73 VanDerWaalsContact CZ-CA 3.41Å; F60-S315 WeakPolarHBondContact CD2-OG 3.48Å; F60-R471 VanDerWaalsContact CZ-NH1 3.29Å; F60-F523 AromaticContact CD2-CD1 3.53Å; F60-F523 HydrophobicContact CD2-CD1 3.53Å; F60-F523 AromaticContact CD2-CE1 3.98Å; F60-F523 HydrophobicContact CD2-CE1 3.98Å; F60-F523 HydrophobicContact CD2-CG 4.29Å; F60-F523 HydrophobicContact CE2-CB 3.97Å; F60-F523 AromaticContact CE2-CD1 3.58Å; F60-F523 HydrophobicContact CE2-CD1 3.58Å; F60-F523 HydrophobicContact CE2-CE1 4.46Å; F60-F523 HydrophobicContact CE2-CG 4.1Å; F60-F523 HydrophobicContact CG-CD1 4.46Å; F60-F523 HydrophobicContact CZ-CB 4.19Å; F60-F523 WeakPolarHBondContact CZ-O 3.45Å
61V95.1Very high89Confident0 Ų031.7 Ų31.70%018%0.175CC..EExtended strand (participates in β ladder)trans-103.7135.3177.6-178.80000109.7S66 E67 R471 R473 F523V61-S66 WeakPolarHBondContact CA-O 3.23Å; V61-E67 HydrophobicContact CG2-CG 4.03Å; V61-R471 WeakPolarHBondContact O-CD 3.25Å; V61-R471 PolarHBondContact O-NH1 3.44Å; V61-R473 HydrophobicContact CG2-CB 4.04Å; V61-R473 HydrophobicContact CG2-CG 3.9Å; V61-F523 HydrophobicContact CB-CD2 3.93Å; V61-F523 HydrophobicContact CB-CE2 3.86Å; V61-F523 HydrophobicContact CG2-CD2 4.41Å; V61-F523 HydrophobicContact CG2-CE2 3.82Å; V61-F523 HydrophobicContact CG2-CZ 4.46Å
62L95.8Very high89.5Confident0 Ų030.8 Ų30.80%017%0.169CC..PPolyproline II helixtrans-95.6170.7173.6-63.7-176.4000112.3F60 D64 G65 S66 L68 F72 L83 G445F60-L62 HydrophobicContact CD1-CD2 3.88Å; F60-L62 HydrophobicContact CE1-CD2 3.72Å; L62-D64 PolarHBondContact O-N 2.95Å; L62-G65 PolarHBondContact O-N 3.03Å; L62-S66 PolarHBondContact N-O 2.88Å; L62-L68 HydrophobicContact CD1-CD1 3.31Å; L62-L68 HydrophobicContact CD1-CG 4.35Å; L62-L68 HydrophobicContact CG-CD1 3.93Å; L62-F72 HydrophobicContact CD1-CD1 4.34Å; L62-F72 HydrophobicContact CD2-CB 4.42Å; L62-F72 HydrophobicContact CD2-CD1 4.47Å; L62-L83 HydrophobicContact CD1-CB 4.24Å; L62-L83 HydrophobicContact CD2-CB 4.24Å; L62-G445 WeakPolarHBondContact O-CA 3.5Å
63D95.2Very high90.2Very high37 Ų3727.6 Ų27.620%0.19815%0.15CC..THydrogen-bonded Turntrans-59.5-33.2-179-68.3-19.1000112.9G65 R82 G445 L446 R471D63-G65 PolarHBondContact O-N 2.69Å; D63-R82 WeakPolarHBondContact OD2-CD 3.27Å; D63-G445 WeakPolarHBondContact O-CA 3.38Å; D63-L446 HydrophobicContact CB-CB 4.03Å; D63-L446 HydrophobicContact CB-CD2 4.5Å; D63-L446 WeakPolarHBondContact O-CB 3.24Å; D63-L446 PolarHBondContact O-N 2.84Å; D63-R471 IonicContact OD1-CZ 3.15Å; D63-R471 VanDerWaalsContact OD1-CZ 3.24Å; D63-R471 IonicContact OD1-NE 3.83Å; D63-R471 PolarHBondContact OD1-NE 2.89Å; D63-R471 IonicContact OD1-NH2 2.88Å; D63-R471 PolarHBondContact OD1-NH2 3.22Å; D63-R471 IonicContact OD2-NH2 3.14Å
64D94.5Very high90.8Very high82 Ų8227.6 Ų27.644%0.43915%0.148SC..THydrogen-bonded Turntrans-80-0.3177.168.34.1000114L62 S66 T84 G85L62-D64 PolarHBondContact O-N 2.95Å; D64-S66 VanDerWaalsContact CG-OG 3.26Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 3.16Å; D64-S66 PolarHBondContact OD1-OG 2.92Å; D64-S66 PolarHBondContact OD2-OG 2.9Å; D64-T84 WeakPolarHBondContact OD2-CA 3.48Å; D64-T84 VanDerWaalsContact OD2-CB 3.32Å; D64-T84 WeakPolarHBondContact OD2-CB 3.2Å; D64-G85 PolarHBondContact OD2-N 3.4Å
65G94.3Very high91.7Very high12 Ų1220.3 Ų20.312%0.12412%0.117CC..  trans84.46.6-179.100000114.9L62 D63 K444 G445L62-G65 PolarHBondContact O-N 3.03Å; D63-G65 PolarHBondContact O-N 2.69Å; G65-K444 WeakPolarHBondContact O-CD 3.38Å; G65-G445 VanDerWaalsContact CA-CA 3.48Å
66S94.9Very high92.5Very high31 Ų3114 Ų1422%0.2178%0.083CC..  trans-64.6136.7171.7-58.70000111.1V61 L62 D64 G85V61-S66 WeakPolarHBondContact CA-O 3.23Å; L62-S66 PolarHBondContact N-O 2.88Å; D64-S66 VanDerWaalsContact CG-OG 3.26Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 3.16Å; D64-S66 PolarHBondContact OD1-OG 2.92Å; D64-S66 PolarHBondContact OD2-OG 2.9Å; S66-G85 WeakPolarHBondContact OG-CA 3.4Å; S66-G85 PolarHBondContact OG-N 2.99Å
67E93.9Very high93.1Very high2 Ų212.7 Ų12.71%0.0098%0.077CC..EExtended strand (participates in β ladder)trans-106.7112.7179.7-80.3174.6161.300110.2D47 S48 S49 I59 F60 V61 K444 R473D47-E67 WeakPolarHBondContact CB-O 3.26Å; S48-E67 WeakPolarHBondContact CB-O 3.24Å; S48-E67 PolarHBondContact N-O 3.15Å; S49-E67 WeakPolarHBondContact CA-OE2 3.42Å; S49-E67 WeakPolarHBondContact CB-OE2 3.45Å; I59-E67 HydrophobicContact CG2-CB 3.62Å; I59-E67 HydrophobicContact CG2-CG 3.84Å; F60-E67 CarbonylContact O-C 3.6Å; F60-E67 WeakPolarHBondContact O-CA 3.36Å; V61-E67 HydrophobicContact CG2-CG 4.03Å; E67-K444 HydrophobicContact CG-CD 4.14Å; E67-K444 WeakPolarHBondContact OE1-CD 3.42Å; E67-K444 WeakPolarHBondContact OE1-CE 3.42Å; E67-K444 IonicContact OE1-NZ 3.15Å; E67-K444 PolarHBondContact OE1-NZ 3.47Å; E67-K444 IonicContact OE2-NZ 3.37Å; E67-K444 PolarHBondContact OE2-NZ 3.21Å; E67-R473 IonicContact OE1-CZ 2.72Å; E67-R473 IonicContact OE1-NE 3.88Å; E67-R473 PolarHBondContact OE1-NE 3.29Å; E67-R473 IonicContact OE1-NH2 3.02Å; E67-R473 PolarHBondContact OE1-NH2 3.06Å
68L93.5Very high93.4Very high0 Ų013.2 Ų13.20%08%0.079CC..EExtended strand (participates in β ladder)trans-129.4-173.1-168.4-57.2-178.4000111.4F60 L62 F72 N88F60-L68 PolarHBondContact N-O 3.4Å; F60-L68 PolarHBondContact O-N 2.95Å; L62-L68 HydrophobicContact CD1-CD1 3.31Å; L62-L68 HydrophobicContact CD1-CG 4.35Å; L62-L68 HydrophobicContact CG-CD1 3.93Å; L68-F72 HydrophobicContact CB-CD2 3.65Å; L68-F72 HydrophobicContact CB-CE2 4.02Å; L68-F72 HydrophobicContact CB-CG 4.11Å; L68-F72 HydrophobicContact CD1-CD1 3.68Å; L68-F72 HydrophobicContact CD1-CD2 3.79Å; L68-F72 HydrophobicContact CD1-CE1 3.67Å; L68-F72 HydrophobicContact CD1-CE2 3.73Å; L68-F72 HydrophobicContact CD1-CG 3.77Å; L68-F72 HydrophobicContact CD1-CZ 3.71Å; L68-F72 HydrophobicContact CG-CD2 4.37Å; L68-F72 HydrophobicContact CG-CE2 4.42Å; L68-N88 HydrophobicContact CD1-CB 3.89Å; L68-N88 HydrophobicContact CD2-CB 3.62Å; L68-N88 VanDerWaalsContact CD2-ND2 3.33Å; L68-N88 WeakPolarHBondContact CD2-ND2 3.26Å; L68-N88 HydrophobicContact CG-CB 4.42Å
69D90.1Very high93.4Very high7 Ų712.9 Ų12.94%0.0378%0.077CC..EExtended strand (participates in β ladder)trans-82.9159.3176.27440.7000113.9R39 H56 F60 A71 F72 K149R39-D69 IonicContact CZ-OD1 2.86Å; R39-D69 IonicContact CZ-OD2 3.41Å; R39-D69 IonicContact NE-OD1 3.74Å; R39-D69 PolarHBondContact NE-OD1 2.92Å; R39-D69 IonicContact NE-OD2 3.66Å; R39-D69 PolarHBondContact NE-OD2 3.03Å; R39-D69 IonicContact NH2-OD1 3.59Å; R39-D69 PolarHBondContact NH2-OD1 3.38Å; R39-D69 IonicContact NH2-OD2 2.82Å; R39-D69 PolarHBondContact NH2-OD2 3.48Å; H56-D69 VanDerWaalsContact CE1-CB 3.46Å; H56-D69 WeakPolarHBondContact CE1-CB 3.41Å; F60-D69 WeakPolarHBondContact CB-O 3.23Å; D69-A71 PolarHBondContact O-N 3.03Å; D69-A71 WeakPolarHBondContact OD1-CB 3.18Å; D69-A71 PolarHBondContact OD1-N 3.44Å; D69-A71 VanDerWaalsContact OD1-N 3.1Å; D69-F72 WeakPolarHBondContact O-CB 3.5Å; D69-F72 PolarHBondContact O-N 3.01Å; D69-F72 VanDerWaalsContact O-N 3.08Å; D69-K149 IonicContact OD2-NZ 3.53Å; D69-K149 PolarHBondContact OD2-NZ 3.15Å; D69-K149 VanDerWaalsContact OD2-NZ 3.15Å
70A90.3Very high93.2Very high21 Ų2115.3 Ų15.317%0.1749%0.091CC..THydrogen-bonded Turntrans-60-17.6-175.500000114.1E58 F72 G73 D74E58-A70 HydrophobicContact CB-CB 4.34Å; A70-F72 PolarHBondContact O-N 3.04Å; A70-G73 PolarHBondContact O-N 2.84Å; A70-D74 PolarHBondContact O-N 2.89Å
71A92.1Very high93.1Very high9 Ų915.4 Ų15.47%0.0749%0.091CC..Hα-helixtrans-67.1-26.5176.800000111.7A18 D69 G73 D74 Y75A18-A71 HydrophobicContact CB-CB 4.28Å; D69-A71 PolarHBondContact O-N 3.03Å; D69-A71 WeakPolarHBondContact OD1-CB 3.18Å; D69-A71 PolarHBondContact OD1-N 3.44Å; D69-A71 VanDerWaalsContact OD1-N 3.1Å; A71-G73 PolarHBondContact O-N 3.38Å; A71-D74 WeakPolarHBondContact O-CB 3.37Å; A71-D74 PolarHBondContact O-N 3.42Å; A71-Y75 HydrophobicContact CB-CE1 4.39Å; A71-Y75 HydrophobicContact CB-CE2 4.13Å; A71-Y75 WeakPolarHBondContact O-CD1 3.33Å; A71-Y75 VanDerWaalsContact O-CD2 3.25Å; A71-Y75 WeakPolarHBondContact O-CD2 3.25Å; A71-Y75 PolarHBondContact O-N 3.3Å
72F95.2Very high93Very high0 Ų017.9 Ų17.90%010%0.1CC..Hα-helixtrans-61.2-33.7171.4-79.5-92.5000112.5R39 F60 L62 L68 D69 A70 Y75 E76 L83 H87 N88R39-F72 HydrophobicContact CB-CE2 4Å; R39-F72 HydrophobicContact CB-CZ 3.76Å; R39-F72 HydrophobicContact CG-CE2 4.43Å; F60-F72 HydrophobicContact CD1-CB 3.72Å; F60-F72 HydrophobicContact CE1-CB 4.24Å; F60-F72 HydrophobicContact CG-CB 4.42Å; L62-F72 HydrophobicContact CD1-CD1 4.34Å; L62-F72 HydrophobicContact CD2-CB 4.42Å; L62-F72 HydrophobicContact CD2-CD1 4.47Å; L68-F72 HydrophobicContact CB-CD2 3.65Å; L68-F72 HydrophobicContact CB-CE2 4.02Å; L68-F72 HydrophobicContact CB-CG 4.11Å; L68-F72 HydrophobicContact CD1-CD1 3.68Å; L68-F72 HydrophobicContact CD1-CD2 3.79Å; L68-F72 HydrophobicContact CD1-CE1 3.67Å; L68-F72 HydrophobicContact CD1-CE2 3.73Å; L68-F72 HydrophobicContact CD1-CG 3.77Å; L68-F72 HydrophobicContact CD1-CZ 3.71Å; L68-F72 HydrophobicContact CG-CD2 4.37Å; L68-F72 HydrophobicContact CG-CE2 4.42Å; D69-F72 WeakPolarHBondContact O-CB 3.5Å; D69-F72 PolarHBondContact O-N 3.01Å; D69-F72 VanDerWaalsContact O-N 3.08Å; A70-F72 PolarHBondContact O-N 3.04Å; F72-Y75 HydrophobicContact CB-CD2 4.46Å; F72-Y75 HydrophobicContact CD1-CD2 4.13Å; F72-Y75 HydrophobicContact CD2-CE2 4.44Å; F72-Y75 HydrophobicContact CE1-CD2 4.49Å; F72-Y75 HydrophobicContact CG-CD2 4.2Å; F72-Y75 HydrophobicContact CG-CE2 4.43Å; F72-Y75 PolarHBondContact O-N 3.12Å; F72-E76 PolarHBondContact O-N 3.15Å; F72-L83 HydrophobicContact CD1-CB 4.18Å; F72-L83 HydrophobicContact CD1-CD1 3.59Å; F72-L83 HydrophobicContact CE1-CB 4.5Å; F72-L83 HydrophobicContact CE1-CD1 4Å; F72-H87 HydrophobicContact CE1-CB 4.13Å; F72-N88 HydrophobicContact CE1-CB 4.36Å; F72-N88 HydrophobicContact CE2-CB 3.98Å; F72-N88 HydrophobicContact CZ-CB 3.5Å
73G93.7Very high92.9Very high0 Ų017.9 Ų17.90%010%0.1CC..Hα-helixtrans-62.1-44.8170.300000111.6F60 A70 A71 Y75 E76 N77F60-G73 VanDerWaalsContact CZ-CA 3.41Å; A70-G73 PolarHBondContact O-N 2.84Å; A71-G73 PolarHBondContact O-N 3.38Å; G73-Y75 VanDerWaalsContact C-N 3.34Å; G73-Y75 PolarHBondContact O-N 3.2Å; G73-E76 PolarHBondContact O-N 2.82Å; G73-N77 WeakPolarHBondContact O-CB 3.49Å; G73-N77 PolarHBondContact O-N 2.9Å; G73-N77 PolarHBondContact O-ND2 2.97Å; G73-N77 PolarHBondContact O-OD1 3.35Å; G73-N77 VanDerWaalsContact O-OD1 3.08Å
74D92.6Very high92.9Very high38 Ų3816.7 Ų16.720%0.20310%0.095CC..Hα-helixtrans-60.9-42.3176.1-69.2-48.8000112.7A70 A71 N77 F78 K318A70-D74 PolarHBondContact O-N 2.89Å; A71-D74 WeakPolarHBondContact O-CB 3.37Å; A71-D74 PolarHBondContact O-N 3.42Å; D74-N77 PolarHBondContact O-N 3.16Å; D74-F78 WeakPolarHBondContact O-CB 3.09Å; D74-F78 WeakPolarHBondContact O-CD2 3.35Å; D74-F78 PolarHBondContact O-N 3.28Å; D74-K318 VanDerWaalsContact OD1-CE 3.26Å; D74-K318 WeakPolarHBondContact OD1-CE 3.32Å; D74-K318 IonicContact OD1-NZ 3.54Å; D74-K318 PolarHBondContact OD1-NZ 2.91Å; D74-K318 IonicContact OD2-NZ 2.73Å; D74-K318 PolarHBondContact OD2-NZ 2.86Å
75Y95.2Very high92.9Very high0 Ų013.1 Ų13.10%08%0.077CC..Hα-helixtrans-60.5-50177.6-52.9-31.1000111.8A18 T22 L37 R39 A71 F72 G73 L79 L83 D147A18-Y75 HydrophobicContact CB-CE1 4.23Å; T22-Y75 VanDerWaalsContact OG1-CD1 3.22Å; T22-Y75 WeakPolarHBondContact OG1-CD1 3.2Å; L37-Y75 HydrophobicContact CD1-CD1 3.5Å; L37-Y75 HydrophobicContact CD1-CD2 4.4Å; L37-Y75 HydrophobicContact CD1-CE1 3.86Å; L37-Y75 HydrophobicContact CD1-CG 3.8Å; L37-Y75 HydrophobicContact CD2-CD1 3.87Å; L37-Y75 HydrophobicContact CD2-CD2 3.31Å; L37-Y75 HydrophobicContact CD2-CE1 3.9Å; L37-Y75 HydrophobicContact CD2-CE2 3.38Å; L37-Y75 HydrophobicContact CD2-CG 3.59Å; L37-Y75 HydrophobicContact CG-CD1 4.36Å; L37-Y75 HydrophobicContact CG-CD2 4.45Å; L37-Y75 HydrophobicContact CG-CG 4.3Å; R39-Y75 HydrophobicContact CB-CE2 4.08Å; R39-Y75 WeakPolarHBondContact CD-OH 3.39Å; R39-Y75 HydrophobicContact CG-CE2 4.48Å; R39-Y75 PolarHBondContact NH1-OH 3.17Å; A71-Y75 HydrophobicContact CB-CE1 4.39Å; A71-Y75 HydrophobicContact CB-CE2 4.13Å; A71-Y75 WeakPolarHBondContact O-CD1 3.33Å; A71-Y75 VanDerWaalsContact O-CD2 3.25Å; A71-Y75 WeakPolarHBondContact O-CD2 3.25Å; A71-Y75 PolarHBondContact O-N 3.3Å; F72-Y75 HydrophobicContact CB-CD2 4.46Å; F72-Y75 HydrophobicContact CD1-CD2 4.13Å; F72-Y75 HydrophobicContact CD2-CE2 4.44Å; F72-Y75 HydrophobicContact CE1-CD2 4.49Å; F72-Y75 HydrophobicContact CG-CD2 4.2Å; F72-Y75 HydrophobicContact CG-CE2 4.43Å; F72-Y75 PolarHBondContact O-N 3.12Å; G73-Y75 VanDerWaalsContact C-N 3.34Å; G73-Y75 PolarHBondContact O-N 3.2Å; Y75-L79 VanDerWaalsContact O-CB 3.24Å; Y75-L79 WeakPolarHBondContact O-CB 3.4Å; Y75-L79 WeakPolarHBondContact O-CG 3.36Å; Y75-L79 PolarHBondContact O-N 3.36Å; Y75-L83 HydrophobicContact CD2-CD1 3.86Å; Y75-L83 HydrophobicContact CG-CD1 4.24Å; Y75-D147 PolarHBondContact OH-OD2 3.2Å
76E94.1Very high93Very high2 Ų214.8 Ų14.81%0.0098%0.083CC..Hα-helixtrans-68.1-38179-66.7-159.2161.700112.4F72 G73 N80 I81 R82 L83 R471F72-E76 PolarHBondContact O-N 3.15Å; G73-E76 PolarHBondContact O-N 2.82Å; E76-N80 WeakPolarHBondContact O-CA 3.24Å; E76-N80 PolarHBondContact O-N 3.02Å; E76-I81 WeakPolarHBondContact CB-O 3.31Å; E76-I81 VanDerWaalsContact CG-O 3.24Å; E76-I81 WeakPolarHBondContact CG-O 3.46Å; E76-R82 WeakPolarHBondContact OE1-CA 3.33Å; E76-R82 IonicContact OE2-NH1 2.64Å; E76-R82 PolarHBondContact OE2-NH1 3.1Å; E76-L83 HydrophobicContact CG-CD1 4.37Å; E76-L83 HydrophobicContact CG-CG 4.39Å; E76-L83 PolarHBondContact OE1-N 2.86Å; E76-R471 VanDerWaalsContact CD-NH2 3.29Å; E76-R471 IonicContact OE1-CZ 3.35Å; E76-R471 IonicContact OE1-NH1 3.85Å; E76-R471 IonicContact OE1-NH2 2.69Å; E76-R471 PolarHBondContact OE1-NH2 3.23Å; E76-R471 IonicContact OE2-CZ 3.64Å; E76-R471 IonicContact OE2-NH1 3.72Å; E76-R471 PolarHBondContact OE2-NH1 3.12Å; E76-R471 IonicContact OE2-NH2 2.79Å; E76-R471 PolarHBondContact OE2-NH2 3.43Å
77N91.3Very high93.1Very high7 Ų713.3 Ų13.34%0.0377%0.073CC..Hα-helixtrans-69.6-38.1-175.5-67.9-2.6000112.8G73 D74 S525 G527G73-N77 WeakPolarHBondContact O-CB 3.49Å; G73-N77 PolarHBondContact O-N 2.9Å; G73-N77 PolarHBondContact O-ND2 2.97Å; G73-N77 PolarHBondContact O-OD1 3.35Å; G73-N77 VanDerWaalsContact O-OD1 3.08Å; D74-N77 PolarHBondContact O-N 3.16Å; N77-S525 VanDerWaalsContact CG-O 3.22Å; N77-S525 PolarHBondContact OD1-O 3.28Å; N77-G527 PolarHBondContact O-N 2.97Å
78F91Very high93.2Very high11 Ų1113.3 Ų13.35%0.0487%0.073CC..Hα-helixtrans-85.6-42.8179.8-84.3-116.8000112.1T22 V26 D74 V249 Y250 W284T22-F78 HydrophobicContact CG2-CB 3.17Å; T22-F78 HydrophobicContact CG2-CD1 3.94Å; T22-F78 HydrophobicContact CG2-CD2 4.24Å; T22-F78 HydrophobicContact CG2-CG 3.54Å; V26-F78 HydrophobicContact CG2-CB 3.96Å; V26-F78 HydrophobicContact CG2-CD1 4.08Å; D74-F78 WeakPolarHBondContact O-CB 3.09Å; D74-F78 WeakPolarHBondContact O-CD2 3.35Å; D74-F78 PolarHBondContact O-N 3.28Å; F78-V249 HydrophobicContact CE2-CG2 4.36Å; F78-V249 HydrophobicContact CZ-CB 4.17Å; F78-V249 HydrophobicContact CZ-CG2 3.72Å; F78-Y250 HydrophobicContact CD1-CD1 4.4Å; F78-Y250 HydrophobicContact CD1-CE1 4.39Å; F78-Y250 HydrophobicContact CD2-CE1 4.22Å; F78-Y250 AromaticContact CE1-CD1 3.72Å; F78-Y250 HydrophobicContact CE1-CD1 3.72Å; F78-Y250 AromaticContact CE1-CE1 3.93Å; F78-Y250 HydrophobicContact CE1-CE1 3.93Å; F78-Y250 HydrophobicContact CE2-CD1 4.3Å; F78-Y250 AromaticContact CE2-CE1 3.73Å; F78-Y250 HydrophobicContact CE2-CE1 3.73Å; F78-Y250 AromaticContact CZ-CD1 3.66Å; F78-Y250 HydrophobicContact CZ-CD1 3.66Å; F78-Y250 AromaticContact CZ-CE1 3.57Å; F78-Y250 HydrophobicContact CZ-CE1 3.57Å; F78-Y250 HydrophobicContact CZ-CG 4.37Å; F78-W284 HydrophobicContact CB-CH2 4.43Å; F78-W284 HydrophobicContact CD1-CH2 4.21Å; F78-W284 HydrophobicContact CG-CH2 4.42Å; F78-W284 WeakPolarHBondContact O-CZ2 3.36Å
79L91.7Very high93.3Very high3 Ų313.3 Ų13.32%0.0167%0.073CC..Hα-helixtrans-89.5-8-174.1-56.5174000112.9T22 V26 Q29 V35 L37 Y75 I81T22-L79 HydrophobicContact CG2-CG 4.2Å; V26-L79 HydrophobicContact CB-CD2 4.48Å; V26-L79 HydrophobicContact CG2-CD2 3.8Å; Q29-L79 PolarHBondContact NE2-O 3.44Å; Q29-L79 PolarHBondContact OE1-O 2.72Å; V35-L79 HydrophobicContact CG2-CD1 4.38Å; V35-L79 HydrophobicContact CG2-CD2 4.32Å; L37-L79 HydrophobicContact CB-CD1 4.38Å; L37-L79 HydrophobicContact CD1-CD1 3.92Å; Y75-L79 VanDerWaalsContact O-CB 3.24Å; Y75-L79 WeakPolarHBondContact O-CB 3.4Å; Y75-L79 WeakPolarHBondContact O-CG 3.36Å; Y75-L79 PolarHBondContact O-N 3.36Å; L79-I81 HydrophobicContact CB-CB 4.46Å; L79-I81 HydrophobicContact CB-CD1 3.67Å; L79-I81 HydrophobicContact CB-CG1 3.83Å; L79-I81 HydrophobicContact CB-CG2 4.01Å; L79-I81 HydrophobicContact CD1-CD1 3.6Å; L79-I81 HydrophobicContact CG-CD1 4.24Å; L79-I81 WeakPolarHBondContact O-CG2 3.49Å; L79-I81 PolarHBondContact O-N 3.43Å
80N89.4Confident93.5Very high60 Ų6013 Ų1332%0.3217%0.071SC..  trans50.144.2-174.4-169.742.7000112.6E76 R529E76-N80 WeakPolarHBondContact O-CA 3.24Å; E76-N80 PolarHBondContact O-N 3.02Å; N80-R529 PolarHBondContact OD1-NH2 2.99Å
81I91.4Very high93.8Very high1 Ų112 Ų121%0.0056%0.063CC..  trans-111.8166.6-179.858.8-175000111.2L37 E76 L79 L83 I134L37-I81 HydrophobicContact CB-CD1 4.48Å; E76-I81 WeakPolarHBondContact CB-O 3.31Å; E76-I81 VanDerWaalsContact CG-O 3.24Å; E76-I81 WeakPolarHBondContact CG-O 3.46Å; L79-I81 HydrophobicContact CB-CB 4.46Å; L79-I81 HydrophobicContact CB-CD1 3.67Å; L79-I81 HydrophobicContact CB-CG1 3.83Å; L79-I81 HydrophobicContact CB-CG2 4.01Å; L79-I81 HydrophobicContact CD1-CD1 3.6Å; L79-I81 HydrophobicContact CG-CD1 4.24Å; L79-I81 WeakPolarHBondContact O-CG2 3.49Å; L79-I81 PolarHBondContact O-N 3.43Å; I81-L83 HydrophobicContact CD1-CD1 4.37Å; I81-L83 HydrophobicContact CD1-CD2 4.1Å; I81-L83 HydrophobicContact CD1-CG 4.15Å; I81-L83 HydrophobicContact CG1-CG 4.34Å; I81-I134 WeakPolarHBondContact CA-O 2.99Å; I81-I134 HydrophobicContact CB-CB 4.46Å; I81-I134 HydrophobicContact CB-CD1 3.81Å; I81-I134 HydrophobicContact CB-CG1 4.03Å; I81-I134 HydrophobicContact CD1-CD1 3.55Å; I81-I134 HydrophobicContact CG1-CD1 4.04Å; I81-I134 HydrophobicContact CG2-CD1 4.14Å; I81-I134 HydrophobicContact CG2-CG1 4.14Å
82R92.4Very high93.9Very high52 Ų5211.9 Ų11.920%0.1966%0.063CC..  trans-118.5100.7175.3-61.6-57.1-177.5-175.34.8111.7D63 E76 I134 R529D63-R82 WeakPolarHBondContact OD2-CD 3.27Å; E76-R82 WeakPolarHBondContact OE1-CA 3.33Å; E76-R82 IonicContact OE2-NH1 2.64Å; E76-R82 PolarHBondContact OE2-NH1 3.1Å; R82-I134 PolarHBondContact N-O 3.44Å; R82-I134 VanDerWaalsContact O-CB 3.3Å; R82-I134 WeakPolarHBondContact O-CB 3.45Å; R82-I134 VanDerWaalsContact O-CG2 3.28Å; R82-I134 WeakPolarHBondContact O-CG2 3.48Å; R82-R529 VanDerWaalsContact NH2-CZ 3.35Å; R82-R529 VanDerWaalsContact NH2-NH1 3.13Å
83L95.3Very high93.9Very high0 Ų014.2 Ų14.20%07%0.073CC..  trans-81.1163.2179.5-65.6170.4000110.5L37 L62 F72 Y75 E76 I81 H87 I134L37-L83 WeakPolarHBondContact O-CD2 3.35Å; L62-L83 HydrophobicContact CD1-CB 4.24Å; L62-L83 HydrophobicContact CD2-CB 4.24Å; F72-L83 HydrophobicContact CD1-CB 4.18Å; F72-L83 HydrophobicContact CD1-CD1 3.59Å; F72-L83 HydrophobicContact CE1-CB 4.5Å; F72-L83 HydrophobicContact CE1-CD1 4Å; Y75-L83 HydrophobicContact CD2-CD1 3.86Å; Y75-L83 HydrophobicContact CG-CD1 4.24Å; E76-L83 HydrophobicContact CG-CD1 4.37Å; E76-L83 HydrophobicContact CG-CG 4.39Å; E76-L83 PolarHBondContact OE1-N 2.86Å; I81-L83 HydrophobicContact CD1-CD1 4.37Å; I81-L83 HydrophobicContact CD1-CD2 4.1Å; I81-L83 HydrophobicContact CD1-CG 4.15Å; I81-L83 HydrophobicContact CG1-CG 4.34Å; L83-H87 HydrophobicContact CB-CB 4.34Å; L83-H87 HydrophobicContact CD2-CB 3.84Å; L83-H87 VanDerWaalsContact CD2-CD2 3.47Å; L83-H87 WeakPolarHBondContact CD2-CD2 3.39Å; L83-I134 HydrophobicContact CD2-CD1 3.41Å; L83-I134 VanDerWaalsContact CD2-CD1 3.41Å; L83-I134 HydrophobicContact CG-CD1 4.36Å
84T94.9Very high94.1Very high13 Ų1314.3 Ų14.38%0.087%0.074CC..  trans-129.1166.4175.961.50000110D64 D86 H87 R132D64-T84 WeakPolarHBondContact OD2-CA 3.48Å; D64-T84 VanDerWaalsContact OD2-CB 3.32Å; D64-T84 WeakPolarHBondContact OD2-CB 3.2Å; T84-D86 PolarHBondContact O-N 2.87Å; T84-H87 PolarHBondContact N-ND1 2.78Å; T84-H87 WeakPolarHBondContact O-CB 3.34Å; T84-H87 PolarHBondContact O-N 3.33Å; T84-H87 PolarHBondContact O-ND1 3.17Å; T84-H87 PolarHBondContact OG1-CE1 3.41Å; T84-H87 VanDerWaalsContact OG1-CE1 3.26Å; T84-H87 PolarHBondContact OG1-ND1 3.44Å; T84-R132 PolarHBondContact OG1-NH1 3.37Å; T84-R132 VanDerWaalsContact OG1-NH1 3.07Å
85G94.5Very high94.3Very high6 Ų615.8 Ų15.86%0.0628%0.077CC..G310 helixtrans-55.8-23.517900000114.1D64 S66 H87 N88 K93D64-G85 PolarHBondContact OD2-N 3.4Å; S66-G85 WeakPolarHBondContact OG-CA 3.4Å; S66-G85 PolarHBondContact OG-N 2.99Å; G85-H87 VanDerWaalsContact C-N 3.28Å; G85-H87 PolarHBondContact O-N 2.95Å; G85-N88 PolarHBondContact O-N 3.41Å; G85-K93 PolarHBondContact O-NZ 3Å
86D95.2Very high94.3Very high48 Ų4817.4 Ų17.426%0.2579%0.088SC..G310 helixtrans-65-28.5172.6-91.2-27.8000113.2T84 N88 H125 R128 V129 R132T84-D86 PolarHBondContact O-N 2.87Å; D86-N88 PolarHBondContact O-N 2.75Å; D86-H125 PolarHBondContact O-NE2 3.12Å; D86-H125 IonicContact OD1-CE1 2.76Å; D86-R128 VanDerWaalsContact CG-NH1 3.26Å; D86-R128 IonicContact OD1-CZ 2.79Å; D86-R128 IonicContact OD1-NH1 2.93Å; D86-R128 PolarHBondContact OD1-NH1 2.92Å; D86-R128 IonicContact OD1-NH2 3.28Å; D86-R128 PolarHBondContact OD1-NH2 3.22Å; D86-R128 IonicContact OD2-CZ 3.95Å; D86-R128 IonicContact OD2-NH1 2.67Å; D86-R128 PolarHBondContact OD2-NH1 3.42Å; D86-R128 IonicContact OD2-NH2 2.68Å; D86-V129 HydrophobicContact CB-CG2 3.8Å; D86-R132 IonicContact OD2-NH1 3.83Å
87H96.8Very high94.4Very high0 Ų020.6 Ų20.60%010%0.103CC..G310 helixtrans-74.5-3177.1-60.282.6000112.9L37 L38 R39 F72 L83 T84 G85 V129 I134L37-H87 PolarHBondContact O-CD2 3.37Å; L37-H87 VanDerWaalsContact O-CD2 3.23Å; L38-H87 WeakPolarHBondContact CA-O 3.34Å; R39-H87 PolarHBondContact N-O 2.76Å; F72-H87 HydrophobicContact CE1-CB 4.13Å; L83-H87 HydrophobicContact CB-CB 4.34Å; L83-H87 HydrophobicContact CD2-CB 3.84Å; L83-H87 VanDerWaalsContact CD2-CD2 3.47Å; L83-H87 WeakPolarHBondContact CD2-CD2 3.39Å; T84-H87 PolarHBondContact N-ND1 2.78Å; T84-H87 WeakPolarHBondContact O-CB 3.34Å; T84-H87 PolarHBondContact O-N 3.33Å; T84-H87 PolarHBondContact O-ND1 3.17Å; T84-H87 PolarHBondContact OG1-CE1 3.41Å; T84-H87 VanDerWaalsContact OG1-CE1 3.26Å; T84-H87 PolarHBondContact OG1-ND1 3.44Å; G85-H87 VanDerWaalsContact C-N 3.28Å; G85-H87 PolarHBondContact O-N 2.95Å; H87-V129 HydrophobicContact CB-CG1 4.43Å; H87-V129 WeakPolarHBondContact CD2-CG1 3.48Å; H87-I134 VanDerWaalsContact CE1-CG2 3.43Å; H87-I134 WeakPolarHBondContact CE1-CG2 3.33Å; H87-I134 WeakPolarHBondContact NE2-CG2 3.45Å
88N95.9Very high94.7Very high1 Ų120.4 Ų20.41%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-107.7110.8169.4-175.348.7000110.8L68 F72 G85 D86 T90 K93L68-N88 HydrophobicContact CD1-CB 3.89Å; L68-N88 HydrophobicContact CD2-CB 3.62Å; L68-N88 VanDerWaalsContact CD2-ND2 3.33Å; L68-N88 WeakPolarHBondContact CD2-ND2 3.26Å; L68-N88 HydrophobicContact CG-CB 4.42Å; F72-N88 HydrophobicContact CE1-CB 4.36Å; F72-N88 HydrophobicContact CE2-CB 3.98Å; F72-N88 HydrophobicContact CZ-CB 3.5Å; G85-N88 PolarHBondContact O-N 3.41Å; D86-N88 PolarHBondContact O-N 2.75Å; N88-T90 WeakPolarHBondContact ND2-CG2 3.12Å; N88-K93 WeakPolarHBondContact O-CD 3.46Å; N88-K93 PolarHBondContact O-NZ 3.15Å
89I95.7Very high94.9Very high0 Ų024.7 Ų24.70%012%0.124CC..EExtended strand (participates in β ladder)trans-91.6128.4167.3-58.3-173.8000108.1L38 R39 V40 D41 I94 H125 I126 F160L38-I89 HydrophobicContact CD1-CD1 3.92Å; L38-I89 HydrophobicContact CD1-CG1 4.08Å; L38-I89 HydrophobicContact CD2-CD1 3.69Å; L38-I89 HydrophobicContact CD2-CG1 3.96Å; L38-I89 HydrophobicContact CG-CD1 4.3Å; L38-I89 HydrophobicContact CG-CG1 4.28Å; R39-I89 PolarHBondContact O-N 3.45Å; V40-I89 WeakPolarHBondContact CA-O 3.46Å; V40-I89 HydrophobicContact CG1-CB 4.49Å; V40-I89 HydrophobicContact CG1-CG2 4.44Å; V40-I89 HydrophobicContact CG2-CB 4.14Å; V40-I89 HydrophobicContact CG2-CD1 4.2Å; V40-I89 HydrophobicContact CG2-CG1 4.5Å; D41-I89 PolarHBondContact N-O 2.88Å; I89-I94 HydrophobicContact CG2-CD1 3.94Å; I89-I94 HydrophobicContact CG2-CG1 3.56Å; I89-H125 HydrophobicContact CD1-CB 4.31Å; I89-H125 VanDerWaalsContact CD1-CD2 3.45Å; I89-H125 WeakPolarHBondContact CD1-CD2 3.2Å; I89-H125 WeakPolarHBondContact CG1-CD2 3.47Å; I89-I126 HydrophobicContact CD1-CG1 3.71Å; I89-F160 HydrophobicContact CG2-CE1 3.82Å
90T95.8Very high95.2Very high0 Ų030.1 Ų30.10%015%0.148CC..EExtended strand (participates in β ladder)trans-119.6156.7166.375.20000112.2D41 K43 N45 I46 N88 G92 K93 I94D41-T90 HydrophobicContact CB-CG2 4.4Å; D41-T90 WeakPolarHBondContact O-CA 3.18Å; K43-T90 HydrophobicContact CG-CG2 4.32Å; N45-T90 VanDerWaalsContact O-CB 3.26Å; N45-T90 WeakPolarHBondContact O-CB 3.26Å; N45-T90 PolarHBondContact O-OG1 3.34Å; I46-T90 PolarHBondContact O-OG1 3.01Å; N88-T90 WeakPolarHBondContact ND2-CG2 3.12Å; T90-G92 PolarHBondContact O-N 2.86Å; T90-G92 PolarHBondContact OG1-N 3.47Å; T90-K93 PolarHBondContact O-N 3.21Å; T90-K93 PolarHBondContact OG1-N 3.4Å; T90-I94 WeakPolarHBondContact O-CG1 3.39Å; T90-I94 PolarHBondContact O-N 2.83Å; T90-I94 VanDerWaalsContact O-N 3.09Å
91G95.2Very high95.5Very high0 Ų029.7 Ų29.70%014%0.143CC..Hα-helixtrans-51.4-49.6166.800000110.2D41 K43 K93 I94 Y95D41-G91 PolarHBondContact O-N 3.45Å; K43-G91 CarbonylContact O-C 3.55Å; K43-G91 VanDerWaalsContact O-CA 3.28Å; K43-G91 WeakPolarHBondContact O-CA 3.27Å; K43-G91 PolarHBondContact O-N 3.4Å; G91-K93 VanDerWaalsContact C-N 3.33Å; G91-K93 PolarHBondContact O-N 2.81Å; G91-I94 PolarHBondContact O-N 3.14Å; G91-Y95 WeakPolarHBondContact O-CB 3.2Å; G91-Y95 WeakPolarHBondContact O-CD2 3.43Å; G91-Y95 PolarHBondContact O-N 2.86Å
92G95.2Very high95.7Very high8 Ų831.4 Ų31.48%0.08216%0.157CC..Hα-helixtrans-50.5-47.9176.900000114.3K43 L44 T90 S96K43-G92 PolarHBondContact O-N 3.46Å; L44-G92 WeakPolarHBondContact O-CA 3.42Å; T90-G92 PolarHBondContact O-N 2.86Å; T90-G92 PolarHBondContact OG1-N 3.47Å; G92-S96 WeakPolarHBondContact O-CB 3.42Å; G92-S96 PolarHBondContact O-N 3.38Å
93K95.3Very high95.7Very high49 Ų4933.8 Ų33.821%0.21318%0.182CC..Hα-helixtrans-62-53.8177.7-78178.6177.5-178.40111.9I46 G85 N88 T90 G91 S96 E97I46-K93 HydrophobicContact CB-CG 4.47Å; I46-K93 HydrophobicContact CG2-CG 3.79Å; I46-K93 WeakPolarHBondContact O-CE 3.42Å; G85-K93 PolarHBondContact O-NZ 3Å; N88-K93 WeakPolarHBondContact O-CD 3.46Å; N88-K93 PolarHBondContact O-NZ 3.15Å; T90-K93 PolarHBondContact O-N 3.21Å; T90-K93 PolarHBondContact OG1-N 3.4Å; G91-K93 VanDerWaalsContact C-N 3.33Å; G91-K93 PolarHBondContact O-N 2.81Å; K93-S96 PolarHBondContact O-N 2.84Å; K93-E97 WeakPolarHBondContact O-CB 3.47Å; K93-E97 PolarHBondContact O-N 3.35Å
94I96.8Very high95.8Very high2 Ų242.6 Ų42.61%0.0122%0.215CC..Hα-helixtrans-65-48.3-175-64.2-64.3000111.2I89 T90 G91 S96 E97 V98 I118 A121 I122 H125I89-I94 HydrophobicContact CG2-CD1 3.94Å; I89-I94 HydrophobicContact CG2-CG1 3.56Å; T90-I94 WeakPolarHBondContact O-CG1 3.39Å; T90-I94 PolarHBondContact O-N 2.83Å; T90-I94 VanDerWaalsContact O-N 3.09Å; G91-I94 PolarHBondContact O-N 3.14Å; I94-S96 PolarHBondContact O-N 2.79Å; I94-E97 PolarHBondContact O-N 2.85Å; I94-V98 WeakPolarHBondContact O-CG2 3.41Å; I94-V98 PolarHBondContact O-N 2.78Å; I94-I118 HydrophobicContact CG2-CD1 4.27Å; I94-I118 HydrophobicContact CG2-CG2 3.8Å; I94-A121 HydrophobicContact CG2-CB 4.11Å; I94-I122 HydrophobicContact CD1-CG1 4.25Å; I94-I122 HydrophobicContact CG1-CG1 4.15Å; I94-I122 HydrophobicContact CG2-CG1 4.03Å; I94-H125 HydrophobicContact CD1-CB 4.4Å
95Y96.5Very high95.7Very high69 Ų6944.2 Ų44.227%0.27123%0.234SC..Hα-helixtrans-62.3-43.3177.7-77.2-74000111.1L44 G91 E97 V98 I99 I118L44-Y95 HydrophobicContact CD2-CD2 4.42Å; G91-Y95 WeakPolarHBondContact O-CB 3.2Å; G91-Y95 WeakPolarHBondContact O-CD2 3.43Å; G91-Y95 PolarHBondContact O-N 2.86Å; Y95-E97 VanDerWaalsContact C-N 3.34Å; Y95-E97 PolarHBondContact O-N 2.83Å; Y95-V98 PolarHBondContact O-N 2.84Å; Y95-I99 VanDerWaalsContact O-CB 3.3Å; Y95-I99 WeakPolarHBondContact O-CB 3.21Å; Y95-I99 WeakPolarHBondContact O-CD1 3.38Å; Y95-I99 WeakPolarHBondContact O-CG1 3.3Å; Y95-I99 PolarHBondContact O-N 3.19Å; Y95-I118 HydrophobicContact CD1-CD1 3.53Å; Y95-I118 HydrophobicContact CD1-CG1 4.29Å; Y95-I118 HydrophobicContact CE1-CD1 3.71Å; Y95-I118 HydrophobicContact CE1-CG1 3.96Å; Y95-I118 HydrophobicContact CG-CD1 4.25Å
96S96.4Very high95.8Very high33 Ų3348.5 Ų48.523%0.23125%0.253CS..Hα-helixtrans-61.2-42.3177.4-171.50000112.2G92 K93 I94 K100G92-S96 WeakPolarHBondContact O-CB 3.42Å; G92-S96 PolarHBondContact O-N 3.38Å; K93-S96 PolarHBondContact O-N 2.84Å; I94-S96 PolarHBondContact O-N 2.79Å; S96-K100 WeakPolarHBondContact O-CB 3.47Å; S96-K100 VanDerWaalsContact O-CG 3.23Å; S96-K100 WeakPolarHBondContact O-CG 3.4Å; S96-K100 PolarHBondContact O-N 2.81Å; S96-K100 WeakPolarHBondContact OG-CE 3.4Å; S96-K100 PolarHBondContact OG-NZ 3.22Å
97E95.8Very high95.7Very high69 Ų6948.3 Ų48.332%0.32225%0.248SC..Hα-helixtrans-62.2-52.1177.6-176.3-177.6162.200111.5K93 I94 Y95 I99 K100 K101K93-E97 WeakPolarHBondContact O-CB 3.47Å; K93-E97 PolarHBondContact O-N 3.35Å; I94-E97 PolarHBondContact O-N 2.85Å; Y95-E97 VanDerWaalsContact C-N 3.34Å; Y95-E97 PolarHBondContact O-N 2.83Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 2.78Å; E97-K100 PolarHBondContact O-N 3.18Å; E97-K101 HydrophobicContact CG-CD 4.48Å; E97-K101 WeakPolarHBondContact O-CG 3.45Å; E97-K101 PolarHBondContact O-N 2.7Å; E97-K101 WeakPolarHBondContact OE1-CE 3.48Å; E97-K101 IonicContact OE1-NZ 2.67Å; E97-K101 PolarHBondContact OE1-NZ 2.83Å
98V97.2Very high95.6Very high3 Ų357.2 Ų57.22%0.01829%0.287CS..Hα-helixtrans-63.5-41.3-177.9168.50000111.2I94 Y95 K100 K101 A102 Y107 V112 H117 I118 A121I94-V98 WeakPolarHBondContact O-CG2 3.41Å; I94-V98 PolarHBondContact O-N 2.78Å; Y95-V98 PolarHBondContact O-N 2.84Å; V98-K100 PolarHBondContact O-N 2.57Å; V98-K101 PolarHBondContact O-N 2.9Å; V98-A102 WeakPolarHBondContact O-CB 3.36Å; V98-A102 PolarHBondContact O-N 3.48Å; V98-Y107 HydrophobicContact CG1-CE2 4.31Å; V98-V112 HydrophobicContact CG1-CG1 3.59Å; V98-H117 HydrophobicContact CG1-CB 4.16Å; V98-I118 HydrophobicContact CB-CD1 3.77Å; V98-I118 HydrophobicContact CG1-CD1 3.77Å; V98-I118 HydrophobicContact CG2-CD1 3.82Å; V98-A121 HydrophobicContact CG2-CB 3.52Å
99I96.2Very high95.3Very high102 Ų10261.1 Ų61.152%0.52333%0.328SS..Hα-helixtrans-62.9-42.7175.7-68.7166.2000110.7Y95 E97 A102 S103Y95-I99 VanDerWaalsContact O-CB 3.3Å; Y95-I99 WeakPolarHBondContact O-CB 3.21Å; Y95-I99 WeakPolarHBondContact O-CD1 3.38Å; Y95-I99 WeakPolarHBondContact O-CG1 3.3Å; Y95-I99 PolarHBondContact O-N 3.19Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 2.78Å; I99-A102 WeakPolarHBondContact O-CB 3.42Å; I99-A102 PolarHBondContact O-N 2.79Å; I99-S103 PolarHBondContact O-N 2.96Å; I99-S103 PolarHBondContact O-OG 3.49Å
100K96.6Very high95.2Very high116 Ų11667 Ų6750%0.50436%0.355SS..Hα-helixtrans-64.4-43.6177.5-76.3170-178.5168.30112.5S96 E97 V98 A102 S103 R104S96-K100 WeakPolarHBondContact O-CB 3.47Å; S96-K100 VanDerWaalsContact O-CG 3.23Å; S96-K100 WeakPolarHBondContact O-CG 3.4Å; S96-K100 PolarHBondContact O-N 2.81Å; S96-K100 WeakPolarHBondContact OG-CE 3.4Å; S96-K100 PolarHBondContact OG-NZ 3.22Å; E97-K100 PolarHBondContact O-N 3.18Å; V98-K100 PolarHBondContact O-N 2.57Å; K100-A102 VanDerWaalsContact C-N 3.26Å; K100-A102 PolarHBondContact O-N 3.41Å; K100-S103 PolarHBondContact O-N 3.37Å; K100-R104 WeakPolarHBondContact O-CG 3.34Å; K100-R104 PolarHBondContact O-N 3.07Å; K100-R104 VanDerWaalsContact O-N 3.08Å
101K96.5Very high95.1Very high52 Ų5275.2 Ų75.223%0.22639%0.391CS..Hα-helixtrans-59.9-39.8174.4-70.5-173.1-179.1166.50111.1E97 V98 R104 G105 E106 Y107E97-K101 HydrophobicContact CG-CD 4.48Å; E97-K101 WeakPolarHBondContact O-CG 3.45Å; E97-K101 PolarHBondContact O-N 2.7Å; E97-K101 WeakPolarHBondContact OE1-CE 3.48Å; E97-K101 IonicContact OE1-NZ 2.67Å; E97-K101 PolarHBondContact OE1-NZ 2.83Å; V98-K101 PolarHBondContact O-N 2.9Å; K101-R104 PolarHBondContact O-N 3.28Å; K101-G105 PolarHBondContact O-N 3.32Å; K101-E106 HydrophobicContact CB-CB 4.24Å; K101-E106 HydrophobicContact CB-CG 4.49Å; K101-E106 WeakPolarHBondContact CG-OE2 3.49Å; K101-E106 WeakPolarHBondContact O-CB 3.3Å; K101-E106 PolarHBondContact O-N 2.88Å; K101-E106 VanDerWaalsContact O-N 3.09Å; K101-Y107 HydrophobicContact CB-CE2 3.73Å
102A95.1Very high95.1Very high37 Ų3777.9 Ų77.931%0.30641%0.407SS..Hα-helixtrans-61.9-47.8174.700000112.5V98 I99 K100 R104 G105 Y107 V112V98-A102 WeakPolarHBondContact O-CB 3.36Å; V98-A102 PolarHBondContact O-N 3.48Å; I99-A102 WeakPolarHBondContact O-CB 3.42Å; I99-A102 PolarHBondContact O-N 2.79Å; K100-A102 VanDerWaalsContact C-N 3.26Å; K100-A102 PolarHBondContact O-N 3.41Å; A102-R104 PolarHBondContact O-N 3.42Å; A102-G105 PolarHBondContact O-N 3.18Å; A102-Y107 HydrophobicContact CB-CD2 3.96Å; A102-Y107 HydrophobicContact CB-CE2 4.1Å; A102-V112 HydrophobicContact CB-CB 4.38Å; A102-V112 HydrophobicContact CB-CG1 4.47Å; A102-V112 HydrophobicContact CB-CG2 3.71Å
103S94Very high95Very high101 Ų10185.2 Ų85.271%0.70643%0.432SS*.Hα-helixtrans-63.5-25.9177.8-59.60000113.5I99 K100 G105I99-S103 PolarHBondContact O-N 2.96Å; I99-S103 PolarHBondContact O-OG 3.49Å; K100-S103 PolarHBondContact O-N 3.37Å; S103-G105 VanDerWaalsContact C-N 3.32Å
104R96.2Very high94.7Very high186 Ų18686.2 Ų86.270%0.70244%0.442SS*.THydrogen-bonded Turntrans-83.3-4.6174.5-68.9172.5-176.2174.7-0.9113.8K100 K101 A102 E106K100-R104 WeakPolarHBondContact O-CG 3.34Å; K100-R104 PolarHBondContact O-N 3.07Å; K100-R104 VanDerWaalsContact O-N 3.08Å; K101-R104 PolarHBondContact O-N 3.28Å; A102-R104 PolarHBondContact O-N 3.42Å; R104-E106 HydrophobicContact CB-CG 4.12Å; R104-E106 WeakPolarHBondContact CD-OE1 3.45Å; R104-E106 IonicContact NH1-OE1 2.87Å
105G93.9Very high94.4Very high46 Ų4691.5 Ų91.547%0.47447%0.465SS..THydrogen-bonded Turntrans78.513.8-178.900000114.9K101 A102 S103 Y107 K108K101-G105 PolarHBondContact O-N 3.32Å; A102-G105 PolarHBondContact O-N 3.18Å; S103-G105 VanDerWaalsContact C-N 3.32Å; G105-Y107 PolarHBondContact O-N 2.92Å; G105-Y107 VanDerWaalsContact O-N 3.17Å; G105-K108 PolarHBondContact O-N 2.89Å
106E95.4Very high94.2Very high97 Ų9790.2 Ų90.245%0.45347%0.465SS..THydrogen-bonded Turntrans-63.6-24.6-175.5-66.1178.4-143.100113K101 R104 K108K101-E106 HydrophobicContact CB-CB 4.24Å; K101-E106 HydrophobicContact CB-CG 4.49Å; K101-E106 WeakPolarHBondContact CG-OE2 3.49Å; K101-E106 WeakPolarHBondContact O-CB 3.3Å; K101-E106 PolarHBondContact O-N 2.88Å; K101-E106 VanDerWaalsContact O-N 3.09Å; R104-E106 HydrophobicContact CB-CG 4.12Å; R104-E106 WeakPolarHBondContact CD-OE1 3.45Å; R104-E106 IonicContact NH1-OE1 2.87Å; E106-K108 VanDerWaalsContact C-N 3.28Å; E106-K108 PolarHBondContact O-N 3.46Å
107Y94.3Very high94.2Very high43 Ų4389 Ų8917%0.16946%0.456CS..THydrogen-bonded Turntrans-85.412.4176-58.7-66.7000114.3V98 K101 A102 G105 G109 Q110 V112 H117V98-Y107 HydrophobicContact CG1-CE2 4.31Å; K101-Y107 HydrophobicContact CB-CE2 3.73Å; A102-Y107 HydrophobicContact CB-CD2 3.96Å; A102-Y107 HydrophobicContact CB-CE2 4.1Å; G105-Y107 PolarHBondContact O-N 2.92Å; G105-Y107 VanDerWaalsContact O-N 3.17Å; Y107-G109 VanDerWaalsContact C-N 3.32Å; Y107-G109 PolarHBondContact O-N 3.32Å; Y107-G109 VanDerWaalsContact O-N 3.16Å; Y107-Q110 WeakPolarHBondContact O-CB 3.28Å; Y107-Q110 VanDerWaalsContact O-CG 3.26Å; Y107-Q110 WeakPolarHBondContact O-CG 3.23Å; Y107-Q110 PolarHBondContact O-N 3.15Å; Y107-V112 HydrophobicContact CD2-CG1 4.42Å; Y107-V112 HydrophobicContact CD2-CG2 3.35Å; Y107-V112 HydrophobicContact CE2-CG1 4.19Å; Y107-V112 HydrophobicContact CE2-CG2 3.94Å; Y107-V112 HydrophobicContact CG-CG2 3.9Å; Y107-H117 AromaticContact CD1-CD2 3.54Å; Y107-H117 HydrophobicContact CE1-CB 4.42Å; Y107-H117 AromaticContact CE1-CD2 3.59Å
108K93.4Very high94.2Very high188 Ų18886 Ų8682%0.81744%0.442SS*.THydrogen-bonded Turntrans49.844.7170.8-58.1-178.5-179.2179.20114.3G105 E106 Q110G105-K108 PolarHBondContact O-N 2.89Å; E106-K108 VanDerWaalsContact C-N 3.28Å; E106-K108 PolarHBondContact O-N 3.46Å; K108-Q110 VanDerWaalsContact C-N 3.34Å; K108-Q110 PolarHBondContact O-N 3.48Å
109G89.4Confident94Very high83 Ų8386 Ų8686%0.85644%0.442SS*.THydrogen-bonded Turntrans81.32.8177.600000115.8Y107Y107-G109 VanDerWaalsContact C-N 3.32Å; Y107-G109 PolarHBondContact O-N 3.32Å; Y107-G109 VanDerWaalsContact O-N 3.16Å
110Q93.4Very high94Very high123 Ų12384.5 Ų84.558%0.57544%0.435SS*.  trans-68.1148.4175-65.4179.651.500112.2Y107 K108 V112Y107-Q110 WeakPolarHBondContact O-CB 3.28Å; Y107-Q110 VanDerWaalsContact O-CG 3.26Å; Y107-Q110 WeakPolarHBondContact O-CG 3.23Å; Y107-Q110 PolarHBondContact O-N 3.15Å; K108-Q110 VanDerWaalsContact C-N 3.34Å; K108-Q110 PolarHBondContact O-N 3.48Å; Q110-V112 PolarHBondContact O-N 3.38Å; Q110-V112 VanDerWaalsContact O-N 3.13Å
111K93.9Very high93.9Very high173 Ų17379.2 Ų79.275%0.75241%0.413SS*.  trans-70.4105.2168-68.8-175.3-179.4-179.60109.7R113 H117K111-R113 PolarHBondContact O-NE 2.95Å; K111-H117 PolarHBondContact O-CE1 2.81Å; K111-H117 VanDerWaalsContact O-CE1 3.28Å
112V95.1Very high93.9Very high55 Ų5576.8 Ų76.833%0.33340%0.402SS..  trans-66.5130.4176.4-174.20000110V98 A102 Y107 Q110 H117V98-V112 HydrophobicContact CG1-CG1 3.59Å; A102-V112 HydrophobicContact CB-CB 4.38Å; A102-V112 HydrophobicContact CB-CG1 4.47Å; A102-V112 HydrophobicContact CB-CG2 3.71Å; Y107-V112 HydrophobicContact CD2-CG1 4.42Å; Y107-V112 HydrophobicContact CD2-CG2 3.35Å; Y107-V112 HydrophobicContact CE2-CG1 4.19Å; Y107-V112 HydrophobicContact CE2-CG2 3.94Å; Y107-V112 HydrophobicContact CG-CG2 3.9Å; Q110-V112 PolarHBondContact O-N 3.38Å; Q110-V112 VanDerWaalsContact O-N 3.13Å; V112-H117 HydrophobicContact CG1-CB 4.05Å
113R93.7Very high94Very high163 Ų16375.3 Ų75.362%0.61539%0.389SS*.  trans-145.2161.2-168.8-77.3-177.7-83-179.4-1.4109.9K111 F115 H117K111-R113 PolarHBondContact O-NE 2.95Å; R113-F115 VanDerWaalsContact C-N 3.32Å; R113-F115 VanDerWaalsContact CB-O 3.22Å; R113-F115 WeakPolarHBondContact CB-O 3.48Å; R113-F115 PolarHBondContact O-N 3.03Å; R113-H117 PolarHBondContact N-ND1 3.34Å; R113-H117 WeakPolarHBondContact O-CB 3.48Å; R113-H117 PolarHBondContact O-N 2.95Å; R113-H117 PolarHBondContact O-ND1 3.24Å; R113-H117 VanDerWaalsContact O-ND1 3.11Å
114V90.1Very high94Very high69 Ų6974.8 Ų74.842%0.41838%0.379SS..Iπ-helixtrans-54.9-49.4174.3-1800000110.9I118 C119 P159V114-I118 HydrophobicContact CB-CG1 4.5Å; V114-I118 HydrophobicContact CG1-CB 4.32Å; V114-I118 VanDerWaalsContact O-CB 3.27Å; V114-I118 WeakPolarHBondContact O-CB 3.43Å; V114-I118 PolarHBondContact O-N 3.37Å; V114-C119 PolarHBondContact O-N 3.49Å; V114-P159 HydrophobicContact CG1-CB 3.95Å; V114-P159 HydrophobicContact CG1-CG 4.3Å
115F90.4Very high94Very high114 Ų11466.7 Ų66.750%0.535%0.349SS..Iπ-helixtrans-104.6132.6167.7-175.8-97000110.4R113 C119 F166R113-F115 VanDerWaalsContact C-N 3.32Å; R113-F115 VanDerWaalsContact CB-O 3.22Å; R113-F115 WeakPolarHBondContact CB-O 3.48Å; R113-F115 PolarHBondContact O-N 3.03Å; F115-C119 HydrophobicContact CD2-CB 4.47Å; F115-F166 HydrophobicContact CD2-CD2 4.16Å; F115-F166 AromaticContact CD2-CE2 3.6Å; F115-F166 HydrophobicContact CD2-CE2 3.6Å; F115-F166 HydrophobicContact CD2-CZ 4.06Å; F115-F166 HydrophobicContact CE2-CD1 4.48Å; F115-F166 AromaticContact CE2-CD2 3.78Å; F115-F166 HydrophobicContact CE2-CD2 3.78Å; F115-F166 HydrophobicContact CE2-CE1 4.11Å; F115-F166 AromaticContact CE2-CE2 3.36Å; F115-F166 HydrophobicContact CE2-CE2 3.36Å; F115-F166 HydrophobicContact CE2-CG 4.33Å; F115-F166 AromaticContact CE2-CZ 3.51Å; F115-F166 HydrophobicContact CE2-CZ 3.51Å; F115-F166 HydrophobicContact CZ-CE1 4.39Å; F115-F166 HydrophobicContact CZ-CE2 4.3Å; F115-F166 HydrophobicContact CZ-CZ 4.01Å
116P92.5Very high94.1Very high41 Ų4164.5 Ų64.527%0.26633%0.326SS..Iπ-helixcis-87.8-18.4-2.235.3-36.5000114.1I118 C119 D120P116-I118 PolarHBondContact O-N 3.46Å; P116-C119 CarbonylContact O-C 3.56Å; P116-C119 WeakPolarHBondContact O-CA 3.32Å; P116-C119 WeakPolarHBondContact O-CB 3.35Å; P116-C119 PolarHBondContact O-N 3.48Å; P116-D120 WeakPolarHBondContact CB-OD2 3.41Å; P116-D120 PolarHBondContact O-N 3.05Å
117H95.4Very high94.1Very high8 Ų862 Ų624%0.03732%0.317CS..Iπ-helixtrans-58.4-41.6-162.9-4482.4000116.2V98 Y107 K111 V112 R113 A121V98-H117 HydrophobicContact CG1-CB 4.16Å; Y107-H117 AromaticContact CD1-CD2 3.54Å; Y107-H117 HydrophobicContact CE1-CB 4.42Å; Y107-H117 AromaticContact CE1-CD2 3.59Å; K111-H117 PolarHBondContact O-CE1 2.81Å; K111-H117 VanDerWaalsContact O-CE1 3.28Å; V112-H117 HydrophobicContact CG1-CB 4.05Å; R113-H117 PolarHBondContact N-ND1 3.34Å; R113-H117 WeakPolarHBondContact O-CB 3.48Å; R113-H117 PolarHBondContact O-N 2.95Å; R113-H117 PolarHBondContact O-ND1 3.24Å; R113-H117 VanDerWaalsContact O-ND1 3.11Å; H117-A121 WeakPolarHBondContact O-CB 3.36Å; H117-A121 PolarHBondContact O-N 3.37Å; H117-A121 VanDerWaalsContact O-N 3.13Å
118I95.3Very high94.2Very high7 Ų765.9 Ų65.94%0.03633%0.332CS..Iπ-helixtrans-71.2-38.7176.5-61-68.3000109.9I94 Y95 V98 V114 P116 A121 I122I94-I118 HydrophobicContact CG2-CD1 4.27Å; I94-I118 HydrophobicContact CG2-CG2 3.8Å; Y95-I118 HydrophobicContact CD1-CD1 3.53Å; Y95-I118 HydrophobicContact CD1-CG1 4.29Å; Y95-I118 HydrophobicContact CE1-CD1 3.71Å; Y95-I118 HydrophobicContact CE1-CG1 3.96Å; Y95-I118 HydrophobicContact CG-CD1 4.25Å; V98-I118 HydrophobicContact CB-CD1 3.77Å; V98-I118 HydrophobicContact CG1-CD1 3.77Å; V98-I118 HydrophobicContact CG2-CD1 3.82Å; V114-I118 HydrophobicContact CB-CG1 4.5Å; V114-I118 HydrophobicContact CG1-CB 4.32Å; V114-I118 VanDerWaalsContact O-CB 3.27Å; V114-I118 WeakPolarHBondContact O-CB 3.43Å; V114-I118 PolarHBondContact O-N 3.37Å; P116-I118 PolarHBondContact O-N 3.46Å; I118-A121 PolarHBondContact O-N 3.31Å; I118-I122 HydrophobicContact CG2-CD1 3.91Å; I118-I122 WeakPolarHBondContact O-CD1 3.5Å; I118-I122 VanDerWaalsContact O-CG1 3.26Å; I118-I122 WeakPolarHBondContact O-CG1 3.47Å; I118-I122 PolarHBondContact O-N 2.96Å
119C94.1Very high94.3Very high3 Ų357 Ų572%0.0229%0.293CS..Hα-helixtrans-63.9-44.1177.1-63.30000111.5V114 F115 P116 I122 H123 A163V114-C119 PolarHBondContact O-N 3.49Å; F115-C119 HydrophobicContact CD2-CB 4.47Å; P116-C119 CarbonylContact O-C 3.56Å; P116-C119 WeakPolarHBondContact O-CA 3.32Å; P116-C119 WeakPolarHBondContact O-CB 3.35Å; P116-C119 PolarHBondContact O-N 3.48Å; C119-I122 WeakPolarHBondContact O-CB 3.47Å; C119-I122 PolarHBondContact O-N 3.48Å; C119-H123 PolarHBondContact O-CD2 3.12Å; C119-H123 VanDerWaalsContact O-CG 3.27Å; C119-H123 PolarHBondContact O-N 3.25Å; C119-A163 HydrophobicContact CB-CB 4.05Å
120D94.8Very high94.6Very high70 Ų7053 Ų5337%0.37425%0.253SS..Hα-helixtrans-62.1-44.8177.5-65.2-23.4000110.9P116 I122 H123 D124P116-D120 WeakPolarHBondContact CB-OD2 3.41Å; P116-D120 PolarHBondContact O-N 3.05Å; D120-I122 VanDerWaalsContact C-N 3.31Å; D120-I122 PolarHBondContact O-N 3.01Å; D120-H123 PolarHBondContact O-N 2.85Å; D120-H123 VanDerWaalsContact O-N 3.14Å; D120-D124 WeakPolarHBondContact O-CB 3.34Å; D120-D124 VanDerWaalsContact O-CG 3.25Å; D120-D124 PolarHBondContact O-N 3.31Å
121A96.3Very high94.6Very high5 Ų550.7 Ų50.74%0.04124%0.241CC..Hα-helixtrans-60.4-39.3175.600000112.6I94 V98 H117 I118 H125I94-A121 HydrophobicContact CG2-CB 4.11Å; V98-A121 HydrophobicContact CG2-CB 3.52Å; H117-A121 WeakPolarHBondContact O-CB 3.36Å; H117-A121 PolarHBondContact O-N 3.37Å; H117-A121 VanDerWaalsContact O-N 3.13Å; I118-A121 PolarHBondContact O-N 3.31Å; A121-H125 WeakPolarHBondContact O-CB 3.19Å; A121-H125 PolarHBondContact O-N 3.43Å
122I96.5Very high94.6Very high0 Ų047.4 Ų47.40%022%0.224CC..Hα-helixtrans-63.6-45.8174.1-69.1162.1000110.6I94 I118 C119 D120 H125 I126 F160 A163I94-I122 HydrophobicContact CD1-CG1 4.25Å; I94-I122 HydrophobicContact CG1-CG1 4.15Å; I94-I122 HydrophobicContact CG2-CG1 4.03Å; I118-I122 HydrophobicContact CG2-CD1 3.91Å; I118-I122 WeakPolarHBondContact O-CD1 3.5Å; I118-I122 VanDerWaalsContact O-CG1 3.26Å; I118-I122 WeakPolarHBondContact O-CG1 3.47Å; I118-I122 PolarHBondContact O-N 2.96Å; C119-I122 WeakPolarHBondContact O-CB 3.47Å; C119-I122 PolarHBondContact O-N 3.48Å; D120-I122 VanDerWaalsContact C-N 3.31Å; D120-I122 PolarHBondContact O-N 3.01Å; I122-H125 PolarHBondContact O-N 2.94Å; I122-I126 HydrophobicContact CG2-CD1 3.55Å; I122-I126 HydrophobicContact CG2-CG1 4.37Å; I122-I126 WeakPolarHBondContact O-CB 3.41Å; I122-I126 WeakPolarHBondContact O-CD1 3.35Å; I122-I126 VanDerWaalsContact O-CG1 3.25Å; I122-I126 WeakPolarHBondContact O-CG1 2.93Å; I122-I126 PolarHBondContact O-N 2.9Å; I122-F160 HydrophobicContact CD1-CD1 3.49Å; I122-F160 VanDerWaalsContact CD1-CD1 3.49Å; I122-F160 HydrophobicContact CD1-CE1 3.71Å; I122-F160 HydrophobicContact CD1-CG 4.2Å; I122-F160 HydrophobicContact CG1-CD1 4.03Å; I122-F160 HydrophobicContact CG1-CE1 3.97Å; I122-F160 HydrophobicContact CG2-CD1 4.48Å; I122-A163 HydrophobicContact CB-CB 4.03Å; I122-A163 HydrophobicContact CD1-CB 3.76Å; I122-A163 HydrophobicContact CG2-CB 3.84Å
123H95.4Very high94.3Very high6 Ų647.6 Ų47.63%0.02823%0.227CC..Hα-helixtrans-62.6-45.8179.7-65.9-178.4000112.1C119 D120 H125 I126 T127 A163 F167C119-H123 PolarHBondContact O-CD2 3.12Å; C119-H123 VanDerWaalsContact O-CG 3.27Å; C119-H123 PolarHBondContact O-N 3.25Å; D120-H123 PolarHBondContact O-N 2.85Å; D120-H123 VanDerWaalsContact O-N 3.14Å; H123-H125 VanDerWaalsContact C-N 3.32Å; H123-H125 PolarHBondContact O-N 2.89Å; H123-I126 PolarHBondContact O-N 3.28Å; H123-T127 VanDerWaalsContact O-CB 3.32Å; H123-T127 WeakPolarHBondContact O-CB 3.49Å; H123-T127 PolarHBondContact O-N 3.04Å; H123-T127 PolarHBondContact O-OG1 2.97Å; H123-A163 PolarHBondContact NE2-O 2.99Å; H123-F167 HydrophobicContact CB-CD2 3.96Å; H123-F167 HydrophobicContact CB-CE2 4.3Å; H123-F167 AromaticContact CD2-CD2 3.71Å; H123-F167 AromaticContact CG-CD2 3.68Å; H123-F167 PolarHBondContact NE2-N 2.82Å
124D95.3Very high94.1Very high91 Ų9140.3 Ų40.349%0.48720%0.2SC..Hα-helixtrans-62.9-43-179.3-70.3-12.3000110.4D120 T127 R128D120-D124 WeakPolarHBondContact O-CB 3.34Å; D120-D124 VanDerWaalsContact O-CG 3.25Å; D120-D124 PolarHBondContact O-N 3.31Å; D124-T127 PolarHBondContact O-N 3.48Å; D124-R128 WeakPolarHBondContact O-CB 3.29Å; D124-R128 PolarHBondContact O-N 2.87Å
125H96.4Very high94.1Very high15 Ų1538.1 Ų38.17%0.06919%0.186CC..Hα-helixtrans-64.7-49.3176.8-166.9100.4000112D86 I89 I94 A121 I122 H123 T127 R128 V129D86-H125 PolarHBondContact O-NE2 3.12Å; D86-H125 IonicContact OD1-CE1 2.76Å; I89-H125 HydrophobicContact CD1-CB 4.31Å; I89-H125 VanDerWaalsContact CD1-CD2 3.45Å; I89-H125 WeakPolarHBondContact CD1-CD2 3.2Å; I89-H125 WeakPolarHBondContact CG1-CD2 3.47Å; I94-H125 HydrophobicContact CD1-CB 4.4Å; A121-H125 WeakPolarHBondContact O-CB 3.19Å; A121-H125 PolarHBondContact O-N 3.43Å; I122-H125 PolarHBondContact O-N 2.94Å; H123-H125 VanDerWaalsContact C-N 3.32Å; H123-H125 PolarHBondContact O-N 2.89Å; H125-T127 VanDerWaalsContact C-N 3.32Å; H125-T127 PolarHBondContact O-N 2.91Å; H125-R128 PolarHBondContact CE1-NH2 2.75Å; H125-R128 PolarHBondContact ND1-NH2 3.46Å; H125-R128 PolarHBondContact O-N 2.9Å; H125-V129 WeakPolarHBondContact O-CB 3.49Å; H125-V129 VanDerWaalsContact O-CG2 3.29Å; H125-V129 WeakPolarHBondContact O-CG2 3.23Å; H125-V129 PolarHBondContact O-N 2.85Å
126I96.3Very high93.9Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-58.3-47.1177.5-69.4163.5000110.5Y4 L38 I89 I122 H123 V129 A130 I146 F164 F167Y4-I126 HydrophobicContact CD1-CG2 4.24Å; Y4-I126 HydrophobicContact CE1-CG2 3.82Å; L38-I126 HydrophobicContact CD1-CG1 4.43Å; L38-I126 HydrophobicContact CD2-CG1 4.37Å; I89-I126 HydrophobicContact CD1-CG1 3.71Å; I122-I126 HydrophobicContact CG2-CD1 3.55Å; I122-I126 HydrophobicContact CG2-CG1 4.37Å; I122-I126 WeakPolarHBondContact O-CB 3.41Å; I122-I126 WeakPolarHBondContact O-CD1 3.35Å; I122-I126 VanDerWaalsContact O-CG1 3.25Å; I122-I126 WeakPolarHBondContact O-CG1 2.93Å; I122-I126 PolarHBondContact O-N 2.9Å; H123-I126 PolarHBondContact O-N 3.28Å; I126-V129 PolarHBondContact O-N 2.79Å; I126-A130 WeakPolarHBondContact O-CB 3.46Å; I126-A130 PolarHBondContact O-N 2.74Å; I126-I146 HydrophobicContact CD1-CD1 4.39Å; I126-I146 HydrophobicContact CG2-CD1 3.87Å; I126-F164 HydrophobicContact CD1-CD1 4.24Å; I126-F164 HydrophobicContact CD1-CE1 3.5Å; I126-F164 VanDerWaalsContact CD1-CE1 3.5Å; I126-F164 HydrophobicContact CD1-CZ 4.27Å; I126-F167 HydrophobicContact CG2-CE1 3.97Å; I126-F167 HydrophobicContact CG2-CZ 3.85Å
127T95.3Very high93.7Very high44 Ų4437.6 Ų37.627%0.2720%0.195SC..Hα-helixtrans-62.5-47.8-178.1-53.70000110.2H123 D124 H125 V129 A130 H131H123-T127 VanDerWaalsContact O-CB 3.32Å; H123-T127 WeakPolarHBondContact O-CB 3.49Å; H123-T127 PolarHBondContact O-N 3.04Å; H123-T127 PolarHBondContact O-OG1 2.97Å; D124-T127 PolarHBondContact O-N 3.48Å; H125-T127 VanDerWaalsContact C-N 3.32Å; H125-T127 PolarHBondContact O-N 2.91Å; T127-V129 PolarHBondContact O-N 3.33Å; T127-A130 PolarHBondContact O-N 3.07Å; T127-H131 PolarHBondContact O-ND1 2.76Å
128R95.2Very high93.4Very high125 Ų12547.9 Ų47.947%0.47224%0.236SC..Hα-helixtrans-59.1-45.7178.8-179.1178.463.182.2-1.8112.4D86 D124 H125D86-R128 VanDerWaalsContact CG-NH1 3.26Å; D86-R128 IonicContact OD1-CZ 2.79Å; D86-R128 IonicContact OD1-NH1 2.93Å; D86-R128 PolarHBondContact OD1-NH1 2.92Å; D86-R128 IonicContact OD1-NH2 3.28Å; D86-R128 PolarHBondContact OD1-NH2 3.22Å; D86-R128 IonicContact OD2-CZ 3.95Å; D86-R128 IonicContact OD2-NH1 2.67Å; D86-R128 PolarHBondContact OD2-NH1 3.42Å; D86-R128 IonicContact OD2-NH2 2.68Å; D124-R128 WeakPolarHBondContact O-CB 3.29Å; D124-R128 PolarHBondContact O-N 2.87Å; H125-R128 PolarHBondContact CE1-NH2 2.75Å; H125-R128 PolarHBondContact ND1-NH2 3.46Å; H125-R128 PolarHBondContact O-N 2.9Å
129V95Very high93.2Very high2 Ų249.7 Ų49.71%0.01226%0.256CS..Hα-helixtrans-76.1-34.4-175.9178.60000112.2L38 D86 H87 H125 I126 T127 H131 R132L38-V129 HydrophobicContact CD1-CB 3.95Å; L38-V129 HydrophobicContact CD1-CG1 3.91Å; D86-V129 HydrophobicContact CB-CG2 3.8Å; H87-V129 HydrophobicContact CB-CG1 4.43Å; H87-V129 WeakPolarHBondContact CD2-CG1 3.48Å; H125-V129 WeakPolarHBondContact O-CB 3.49Å; H125-V129 VanDerWaalsContact O-CG2 3.29Å; H125-V129 WeakPolarHBondContact O-CG2 3.23Å; H125-V129 PolarHBondContact O-N 2.85Å; I126-V129 PolarHBondContact O-N 2.79Å; T127-V129 PolarHBondContact O-N 3.33Å; V129-H131 PolarHBondContact O-N 2.73Å; V129-H131 VanDerWaalsContact O-N 3.14Å; V129-R132 WeakPolarHBondContact O-CB 3.04Å; V129-R132 PolarHBondContact O-N 2.68Å
130A95.6Very high93.1Very high0 Ų053.7 Ų53.70%028%0.277CS..Hα-helixtrans-60.7-23.5177.200000113.8V2 Y4 I126 T127 C144V2-A130 HydrophobicContact CG1-CB 4.17Å; Y4-A130 HydrophobicContact CE1-CB 3.62Å; I126-A130 WeakPolarHBondContact O-CB 3.46Å; I126-A130 PolarHBondContact O-N 2.74Å; T127-A130 PolarHBondContact O-N 3.07Å; A130-C144 HydrophobicContact CB-CB 3.74Å
131H94.7Very high93.1Very high73 Ų7350.5 Ų50.534%0.33826%0.26SS..THydrogen-bonded Turntrans-86.9-4.1177.1-70.188.2000113.5T127 V129 P133 L140T127-H131 PolarHBondContact O-ND1 2.76Å; V129-H131 PolarHBondContact O-N 2.73Å; V129-H131 VanDerWaalsContact O-N 3.14Å; H131-P133 WeakPolarHBondContact O-CD 3.3Å; H131-L140 HydrophobicContact CB-CD2 3.71Å; H131-L140 VanDerWaalsContact O-CD2 3.29Å; H131-L140 WeakPolarHBondContact O-CD2 3.43Å
132R92.3Very high93.1Very high105 Ų10551.7 Ų51.740%0.39627%0.266SS..  trans-83.2120.3-176.8-170.5170-177.9167.85.1110.5T84 D86 V129 P141T84-R132 PolarHBondContact OG1-NH1 3.37Å; T84-R132 VanDerWaalsContact OG1-NH1 3.07Å; D86-R132 IonicContact OD2-NH1 3.83Å; V129-R132 WeakPolarHBondContact O-CB 3.04Å; V129-R132 PolarHBondContact O-N 2.68Å; R132-P141 WeakPolarHBondContact O-CG 3.28Å
133P90.6Very high93.2Very high59 Ų5951.7 Ų51.738%0.38327%0.266SS..  trans-68.8134.9169.927.3-31.3000110H131 L137H131-P133 WeakPolarHBondContact O-CD 3.3Å; P133-L137 VanDerWaalsContact CB-O 3.31Å; P133-L137 WeakPolarHBondContact CB-O 3.45Å
134I89.6Confident93.3Very high9 Ų951.4 Ų51.45%0.04626%0.264CS..  trans-131.13.8-179.557.7167.7000112.7T36 I81 R82 L83 H87T36-I134 WeakPolarHBondContact OG1-CD1 3.35Å; I81-I134 WeakPolarHBondContact CA-O 2.99Å; I81-I134 HydrophobicContact CB-CB 4.46Å; I81-I134 HydrophobicContact CB-CD1 3.81Å; I81-I134 HydrophobicContact CB-CG1 4.03Å; I81-I134 HydrophobicContact CD1-CD1 3.55Å; I81-I134 HydrophobicContact CG1-CD1 4.04Å; I81-I134 HydrophobicContact CG2-CD1 4.14Å; I81-I134 HydrophobicContact CG2-CG1 4.14Å; R82-I134 PolarHBondContact N-O 3.44Å; R82-I134 VanDerWaalsContact O-CB 3.3Å; R82-I134 WeakPolarHBondContact O-CB 3.45Å; R82-I134 VanDerWaalsContact O-CG2 3.28Å; R82-I134 WeakPolarHBondContact O-CG2 3.48Å; L83-I134 HydrophobicContact CD2-CD1 3.41Å; L83-I134 VanDerWaalsContact CD2-CD1 3.41Å; L83-I134 HydrophobicContact CG-CD1 4.36Å; H87-I134 VanDerWaalsContact CE1-CG2 3.43Å; H87-I134 WeakPolarHBondContact CE1-CG2 3.33Å; H87-I134 WeakPolarHBondContact NE2-CG2 3.45Å
135D89.1Confident93.4Very high23 Ų2347 Ų4712%0.12324%0.241CC..SBendtrans-102.113.9-179.959.9-8.2000112R34 L137 V561R34-D135 IonicContact CZ-OD1 2.7Å; R34-D135 IonicContact CZ-OD2 3.24Å; R34-D135 IonicContact NE-OD1 2.57Å; R34-D135 IonicContact NE-OD2 2.7Å; R34-D135 PolarHBondContact NE-OD2 3.48Å; R34-D135 IonicContact NH2-OD1 2.9Å; R34-D135 PolarHBondContact NH2-OD1 3.34Å; R34-D135 IonicContact NH2-OD2 3.79Å; R34-D135 PolarHBondContact NH2-OD2 2.67Å; R34-D135 VanDerWaalsContact NH2-OD2 3.15Å; D135-L137 PolarHBondContact O-N 2.98Å; D135-L137 PolarHBondContact OD1-N 2.82Å; D135-V561 WeakPolarHBondContact O-CG1 3.39Å
136G86.3Confident93.5Very high43 Ų4346.3 Ų46.344%0.44324%0.238SC..SBendtrans68.1-5.1-176.100000115.4V561G136-V561 VanDerWaalsContact CA-CG1 3.48Å
137L88.9Confident93.5Very high101 Ų10146.3 Ų46.353%0.52924%0.238SC..  trans-90.2146.5-178.7-58.7178.2000111.2R34 P133 D135R34-L137 PolarHBondContact NH2-O 3.05Å; R34-L137 VanDerWaalsContact NH2-O 3.14Å; P133-L137 VanDerWaalsContact CB-O 3.31Å; P133-L137 WeakPolarHBondContact CB-O 3.45Å; D135-L137 PolarHBondContact O-N 2.98Å; D135-L137 PolarHBondContact OD1-N 2.82Å
138Y88.7Confident93.5Very high224 Ų22444.4 Ų44.488%0.87823%0.226SC*.SBendtrans-68.4149.8172-67-77.8000111.6R34R34-Y138 PolarHBondContact NH1-O 2.93Å
139G90.8Very high93.4Very high46 Ų4641.1 Ų41.147%0.47422%0.215SC..SBendtrans94173.8177.700000114.4R34R34-G139 PolarHBondContact NH2-O 3.06Å
140L92.7Very high93.2Very high86 Ų8642 Ų4245%0.4523%0.225SC..  trans-77.5145.5-173.5-62.1174.7000112H131H131-L140 HydrophobicContact CB-CD2 3.71Å; H131-L140 VanDerWaalsContact O-CD2 3.29Å; H131-L140 WeakPolarHBondContact O-CD2 3.43Å
141P95.2Very high93Very high4 Ų443 Ų433%0.02623%0.231CC..  trans-58.9150.6163.5-20.332.7000111.2V2 T36 R132V2-P141 WeakPolarHBondContact CG2-O 3.48Å; T36-P141 HydrophobicContact CG2-CB 3.91Å; T36-P141 HydrophobicContact CG2-CG 3.95Å; R132-P141 WeakPolarHBondContact O-CG 3.28Å
142D96.3Very high92.8Very high29 Ų2939.8 Ų39.816%0.15522%0.216CC..SBendtrans-85.2-36.8176.5-56.7-56.2000110.8K3 V33 R34 K273K3-D142 PolarHBondContact N-O 3.13Å; V33-D142 HydrophobicContact CG1-CB 3.8Å; R34-D142 WeakPolarHBondContact CB-OD2 3.26Å; R34-D142 PolarHBondContact N-OD2 2.89Å; R34-D142 WeakPolarHBondContact O-CA 3.36Å; R34-D142 WeakPolarHBondContact O-CB 3.39Å; R34-D142 PolarHBondContact O-N 3.3Å; D142-K273 WeakPolarHBondContact OD1-CE 3.39Å; D142-K273 IonicContact OD1-NZ 3.18Å; D142-K273 PolarHBondContact OD1-NZ 2.94Å; D142-K273 IonicContact OD2-NZ 2.82Å; D142-K273 PolarHBondContact OD2-NZ 3.36Å
143V97.3Very high92.5Very high0 Ų037.1 Ų37.10%022%0.222CC..EExtended strand (participates in β ladder)trans-132.6135-177.5-178.90000111.4K3 I5 L28 V33 R34 V35 T36 I145 L271K3-V143 HydrophobicContact CB-CG2 4.23Å; K3-V143 CarbonylContact O-C 3.49Å; K3-V143 WeakPolarHBondContact O-CA 3.48Å; I5-V143 HydrophobicContact CD1-CG1 3.67Å; I5-V143 HydrophobicContact CG1-CG1 3.84Å; L28-V143 HydrophobicContact CD1-CB 4.36Å; L28-V143 HydrophobicContact CD1-CG1 4.06Å; L28-V143 HydrophobicContact CD1-CG2 4.34Å; V33-V143 HydrophobicContact CG1-CB 4.37Å; V33-V143 HydrophobicContact CG1-CG2 3.6Å; R34-V143 PolarHBondContact O-N 2.91Å; V35-V143 CarbonylContact C-O 3.29Å; V35-V143 VanDerWaalsContact CA-O 3.3Å; V35-V143 WeakPolarHBondContact CA-O 3.41Å; V35-V143 HydrophobicContact CG1-CB 4.41Å; T36-V143 PolarHBondContact N-O 3.47Å; V143-I145 HydrophobicContact CG1-CG1 4.29Å; V143-L271 HydrophobicContact CG2-CD1 4.38Å; V143-L271 HydrophobicContact CG2-CD2 3.62Å
144C97.6Very high92.4Very high0 Ų037.3 Ų37.30%022%0.219CC..EExtended strand (participates in β ladder)trans-107.3115.5168.7178.50000110.1V2 K3 Y4 I5 T36 A130V2-C144 HydrophobicContact CG1-CB 3.92Å; K3-C144 PolarHBondContact O-N 3.18Å; Y4-C144 WeakPolarHBondContact CA-O 3.38Å; Y4-C144 HydrophobicContact CD1-CB 3.77Å; Y4-C144 HydrophobicContact CE1-CB 3.94Å; I5-C144 PolarHBondContact N-O 3.21Å; T36-C144 HydrophobicContact CG2-CB 3.63Å; T36-C144 WeakPolarHBondContact O-CA 3.38Å; A130-C144 HydrophobicContact CB-CB 3.74Å
145I98Very high92.5Very high0 Ų044.8 Ų44.80%026%0.256CS..EExtended strand (participates in β ladder)trans-89.3126.4175.7-57.4174.3000108.3I5 V7 A21 I24 T36 L37 L38 V143I5-I145 HydrophobicContact CB-CG1 4.48Å; I5-I145 CarbonylContact O-C 3.59Å; I5-I145 WeakPolarHBondContact O-CA 3.26Å; V7-I145 HydrophobicContact CG2-CG2 4.06Å; A21-I145 HydrophobicContact CB-CG2 4.04Å; I24-I145 HydrophobicContact CB-CD1 4.41Å; I24-I145 HydrophobicContact CG2-CD1 4.01Å; T36-I145 PolarHBondContact O-N 3.01Å; L37-I145 CarbonylContact C-O 3.56Å; L37-I145 WeakPolarHBondContact CA-O 3.35Å; L37-I145 HydrophobicContact CD1-CG2 4.5Å; L37-I145 HydrophobicContact CG-CB 4.33Å; L38-I145 PolarHBondContact N-O 3.19Å; V143-I145 HydrophobicContact CG1-CG1 4.29Å
146I97.8Very high92.6Very high0 Ų049.2 Ų49.20%028%0.276CS..EExtended strand (participates in β ladder)trans-111.9109-178.7-54.1176.7000108.5Y4 I5 L6 V7 L38 V40 I126 F164Y4-I146 HydrophobicContact CD1-CD1 4.11Å; I5-I146 PolarHBondContact O-N 3.43Å; L6-I146 HydrophobicContact CD1-CB 4.04Å; L6-I146 HydrophobicContact CD1-CG2 3.8Å; V7-I146 PolarHBondContact N-O 3.43Å; L38-I146 HydrophobicContact CD2-CG2 3.98Å; L38-I146 CarbonylContact O-C 3.58Å; L38-I146 VanDerWaalsContact O-CA 3.28Å; L38-I146 WeakPolarHBondContact O-CA 3.2Å; V40-I146 HydrophobicContact CG2-CG2 3.95Å; I126-I146 HydrophobicContact CD1-CD1 4.39Å; I126-I146 HydrophobicContact CG2-CD1 3.87Å; I146-F164 HydrophobicContact CD1-CE1 3.92Å; I146-F164 HydrophobicContact CG2-CE1 3.77Å; I146-F164 HydrophobicContact CG2-CZ 3.57Å
147D96.9Very high92.9Very high0 Ų047.2 Ų47.20%026%0.255CS..EExtended strand (participates in β ladder)trans-91.9106.2173.6-178.68.8000110.2K17 A21 L38 R39 V40 Y75 K149K17-D147 WeakPolarHBondContact CD-OD1 3.44Å; K17-D147 WeakPolarHBondContact CE-OD1 3.2Å; A21-D147 HydrophobicContact CB-CB 4.16Å; L38-D147 PolarHBondContact O-N 2.97Å; R39-D147 WeakPolarHBondContact CA-O 3.48Å; R39-D147 IonicContact NH1-OD2 3.71Å; R39-D147 PolarHBondContact NH1-OD2 3.41Å; V40-D147 PolarHBondContact N-O 3.28Å; Y75-D147 PolarHBondContact OH-OD2 3.2Å; D147-K149 PolarHBondContact O-N 2.99Å
148L95.7Very high93.1Very high3 Ų345.6 Ų45.62%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-85.2103173.8178.560.7000110.2L6 V7 T8 K17 V40 F160 L161 F164L6-L148 HydrophobicContact CD1-CB 4.24Å; V7-L148 PolarHBondContact O-N 3.37Å; T8-L148 HydrophobicContact CG2-CB 4.35Å; T8-L148 HydrophobicContact CG2-CD2 4.13Å; K17-L148 WeakPolarHBondContact CD-O 3.24Å; K17-L148 WeakPolarHBondContact CE-O 3.44Å; K17-L148 PolarHBondContact NZ-O 3.43Å; V40-L148 HydrophobicContact CB-CD1 3.83Å; V40-L148 HydrophobicContact CG1-CD1 3.64Å; L148-F160 HydrophobicContact CD1-CB 4.13Å; L148-L161 HydrophobicContact CD2-CD2 3.51Å; L148-L161 HydrophobicContact CD2-CG 3.98Å; L148-F164 HydrophobicContact CB-CE2 4.44Å; L148-F164 HydrophobicContact CD1-CE2 4.25Å; L148-F164 HydrophobicContact CD2-CD2 4.41Å; L148-F164 HydrophobicContact CD2-CE2 4.11Å
149K93Very high93.3Very high56 Ų5635.7 Ų35.724%0.24321%0.21CC..  trans-64.5151.7175.2-164.6-173.1-178.2171.80110.8V40 D41 P42 D69 D147V40-K149 VanDerWaalsContact O-CB 3.29Å; V40-K149 WeakPolarHBondContact O-CB 3.3Å; V40-K149 PolarHBondContact O-N 3.48Å; D41-K149 HydrophobicContact CB-CB 4.46Å; D41-K149 HydrophobicContact CB-CD 3.94Å; D41-K149 WeakPolarHBondContact OD2-CD 3.12Å; D41-K149 IonicContact OD2-NZ 3.73Å; D41-K149 PolarHBondContact OD2-NZ 3.32Å; P42-K149 WeakPolarHBondContact CD-O 3.45Å; D69-K149 IonicContact OD2-NZ 3.53Å; D69-K149 PolarHBondContact OD2-NZ 3.15Å; D69-K149 VanDerWaalsContact OD2-NZ 3.15Å; D147-K149 PolarHBondContact O-N 2.99Å
150G90.4Very high93.5Very high22 Ų2233.6 Ų33.623%0.22719%0.188CC..SBendtrans87.1-165.7-172.100000112.4K17 D154K17-G150 PolarHBondContact NZ-O 3.14Å; G150-D154 WeakPolarHBondContact CA-OD2 3.41Å
151T91.3Very high93.6Very high21 Ų2129.5 Ų29.513%0.12917%0.166CC..  trans-110.8156.8177.677.80000110.7G10 G153 D154 S157G10-T151 WeakPolarHBondContact O-CB 3.37Å; G10-T151 WeakPolarHBondContact O-CG2 3.47Å; T151-G153 PolarHBondContact O-N 2.85Å; T151-G153 PolarHBondContact OG1-N 2.76Å; T151-D154 PolarHBondContact N-OD2 3.03Å; T151-D154 PolarHBondContact O-N 2.86Å; T151-D154 PolarHBondContact OG1-N 3.29Å; T151-D154 PolarHBondContact OG1-OD1 2.67Å; T151-D154 PolarHBondContact OG1-OD2 3.33Å; T151-S157 PolarHBondContact O-OG 2.84Å
152V89.7Confident93.5Very high4 Ų431.4 Ų31.42%0.02418%0.175CC..THydrogen-bonded Turntrans-64.1-16.9174.4-66.70000113.7G9 L161 E204 F205G9-V152 PolarHBondContact O-N 3.45Å; V152-L161 HydrophobicContact CB-CD1 4.2Å; V152-L161 HydrophobicContact CG1-CD1 4.37Å; V152-L161 HydrophobicContact CG1-CD2 4.28Å; V152-E204 HydrophobicContact CG2-CB 4.11Å; V152-F205 HydrophobicContact CB-CD2 4.41Å; V152-F205 HydrophobicContact CG1-CB 4.37Å; V152-F205 HydrophobicContact CG1-CD2 3.57Å; V152-F205 HydrophobicContact CG1-CE2 4.21Å; V152-F205 HydrophobicContact CG1-CG 4.26Å; V152-F205 HydrophobicContact CG2-CB 4.43Å
153G86Confident93.5Very high49 Ų4930 Ų3051%0.50517%0.167SC..THydrogen-bonded Turntrans-89.9-9.3177.300000114.5T151 M155T151-G153 PolarHBondContact O-N 2.85Å; T151-G153 PolarHBondContact OG1-N 2.76Å; G153-M155 PolarHBondContact O-N 3.4Å
154D90.4Very high93.4Very high63 Ų6330.1 Ų30.134%0.33717%0.168SC..  trans-70.4127.8-178.1-64.3-21.5000110.8G150 T151 Q156 S157G150-D154 WeakPolarHBondContact CA-OD2 3.41Å; T151-D154 PolarHBondContact N-OD2 3.03Å; T151-D154 PolarHBondContact O-N 2.86Å; T151-D154 PolarHBondContact OG1-N 3.29Å; T151-D154 PolarHBondContact OG1-OD1 2.67Å; T151-D154 PolarHBondContact OG1-OD2 3.33Å; D154-Q156 PolarHBondContact O-N 3.13Å; D154-S157 PolarHBondContact O-N 2.9Å; D154-S157 PolarHBondContact O-OG 2.78Å
155M91.3Very high93.2Very high166 Ų16634.7 Ų34.782%0.81819%0.185SC*.THydrogen-bonded Turntrans-54-33.4179.1-175.1-178.8-179.800112.8G153 S157G153-M155 PolarHBondContact O-N 3.4Å; M155-S157 VanDerWaalsContact C-N 3.33Å; M155-S157 PolarHBondContact O-N 3.21Å
156Q91.2Very high93Very high117 Ų11737.8 Ų37.855%0.54720%0.198SC..THydrogen-bonded Turntrans-71.6-24.4180-58.7178.8-25.100113P42 D154 P159P42-Q156 HydrophobicContact CB-CB 3.9Å; P42-Q156 VanDerWaalsContact CB-O 3.28Å; P42-Q156 WeakPolarHBondContact CB-O 3.29Å; P42-Q156 HydrophobicContact CG-CB 4.36Å; D154-Q156 PolarHBondContact O-N 3.13Å; Q156-P159 WeakPolarHBondContact O-CD 3.1Å
157S92.3Very high92.9Very high0 Ų037.8 Ų37.80%020%0.199CC..THydrogen-bonded Turntrans-84.1-18.3-178.674.40000113T151 D154 M155 F160 L161T151-S157 PolarHBondContact O-OG 2.84Å; D154-S157 PolarHBondContact O-N 2.9Å; D154-S157 PolarHBondContact O-OG 2.78Å; M155-S157 VanDerWaalsContact C-N 3.33Å; M155-S157 PolarHBondContact O-N 3.21Å; S157-F160 WeakPolarHBondContact O-CB 3.03Å; S157-F160 PolarHBondContact O-N 2.81Å; S157-L161 PolarHBondContact O-N 2.74Å
158I92.2Very high92.7Very high67 Ų6739.3 Ų39.334%0.34421%0.205SC..Hα-helixtrans-51.5-49.3-177.3-62.1173.5000113.1F160 L161 Q162 M208I158-F160 VanDerWaalsContact C-N 3.26Å; I158-F160 PolarHBondContact O-N 2.75Å; I158-L161 PolarHBondContact O-N 3.25Å; I158-Q162 HydrophobicContact CG2-CG 4.45Å; I158-Q162 WeakPolarHBondContact O-CG 2.94Å; I158-Q162 PolarHBondContact O-N 3.47Å; I158-M208 HydrophobicContact CG1-CE 4.31Å
159P93.5Very high92.6Very high17 Ų1742.7 Ų42.711%0.1123%0.234CC..Hα-helixtrans-59.6-36.8178.9-24.235.7000113V114 Q156 A163V114-P159 HydrophobicContact CG1-CB 3.95Å; V114-P159 HydrophobicContact CG1-CG 4.3Å; Q156-P159 WeakPolarHBondContact O-CD 3.1Å; P159-A163 WeakPolarHBondContact O-CB 3.31Å; P159-A163 PolarHBondContact O-N 2.9Å
160F95.7Very high92.6Very high2 Ų245.9 Ų45.91%0.00925%0.247CC..Hα-helixtrans-73.1-42.1179-63.9-83.5000111.8V40 P42 I89 I122 L148 S157 I158 Q162 A163 F164V40-F160 HydrophobicContact CG1-CB 4.26Å; V40-F160 HydrophobicContact CG1-CD1 3.25Å; V40-F160 HydrophobicContact CG1-CD2 4.36Å; V40-F160 HydrophobicContact CG1-CE1 3.53Å; V40-F160 HydrophobicContact CG1-CG 3.71Å; V40-F160 HydrophobicContact CG1-CZ 4.19Å; P42-F160 HydrophobicContact CB-CD2 3.86Å; P42-F160 HydrophobicContact CB-CE2 3.67Å; I89-F160 HydrophobicContact CG2-CE1 3.82Å; I122-F160 HydrophobicContact CD1-CD1 3.49Å; I122-F160 VanDerWaalsContact CD1-CD1 3.49Å; I122-F160 HydrophobicContact CD1-CE1 3.71Å; I122-F160 HydrophobicContact CD1-CG 4.2Å; I122-F160 HydrophobicContact CG1-CD1 4.03Å; I122-F160 HydrophobicContact CG1-CE1 3.97Å; I122-F160 HydrophobicContact CG2-CD1 4.48Å; L148-F160 HydrophobicContact CD1-CB 4.13Å; S157-F160 WeakPolarHBondContact O-CB 3.03Å; S157-F160 PolarHBondContact O-N 2.81Å; I158-F160 VanDerWaalsContact C-N 3.26Å; I158-F160 PolarHBondContact O-N 2.75Å; F160-Q162 PolarHBondContact O-N 3.23Å; F160-A163 CarbonylContact O-C 3.51Å; F160-A163 WeakPolarHBondContact O-CB 3.47Å; F160-A163 PolarHBondContact O-N 3.49Å; F160-F164 HydrophobicContact CB-CE2 4.13Å; F160-F164 WeakPolarHBondContact O-CD2 2.98Å; F160-F164 WeakPolarHBondContact O-CG 3.45Å; F160-F164 PolarHBondContact O-N 3.23Å
161L94.9Very high92.7Very high0 Ų045.4 Ų45.40%024%0.24CC..Hα-helixtrans-60.2-45.8174.7-69.5168.3000111T8 L148 V152 S157 I158 A163 F164 R165 F205 M208 I210T8-L161 HydrophobicContact CG2-CD2 4.49Å; L148-L161 HydrophobicContact CD2-CD2 3.51Å; L148-L161 HydrophobicContact CD2-CG 3.98Å; V152-L161 HydrophobicContact CB-CD1 4.2Å; V152-L161 HydrophobicContact CG1-CD1 4.37Å; V152-L161 HydrophobicContact CG1-CD2 4.28Å; S157-L161 PolarHBondContact O-N 2.74Å; I158-L161 PolarHBondContact O-N 3.25Å; L161-A163 VanDerWaalsContact C-N 3.33Å; L161-A163 PolarHBondContact O-N 3.13Å; L161-F164 PolarHBondContact O-N 3.36Å; L161-R165 PolarHBondContact O-N 3.06Å; L161-F205 HydrophobicContact CD2-CD2 4.47Å; L161-F205 HydrophobicContact CD2-CE2 4.12Å; L161-M208 HydrophobicContact CB-CB 4.4Å; L161-M208 HydrophobicContact CB-CG 4.47Å; L161-M208 HydrophobicContact CD1-CG 3.99Å; L161-I210 HydrophobicContact CD2-CD1 4.33Å; L161-I210 WeakPolarHBondContact O-CD1 3.33Å
162Q93.2Very high92.8Very high44 Ų4450.5 Ų50.521%0.20626%0.261CS..Hα-helixtrans-61.4-42.4174.5-68.3-54.7-49.300111.7I158 F160 F164 R165 F166 M208I158-Q162 HydrophobicContact CG2-CG 4.45Å; I158-Q162 WeakPolarHBondContact O-CG 2.94Å; I158-Q162 PolarHBondContact O-N 3.47Å; F160-Q162 PolarHBondContact O-N 3.23Å; Q162-F164 PolarHBondContact O-N 2.79Å; Q162-R165 WeakPolarHBondContact O-CB 2.95Å; Q162-R165 PolarHBondContact O-N 3.4Å; Q162-F166 WeakPolarHBondContact O-CD2 3.4Å; Q162-F166 PolarHBondContact O-N 2.86Å; Q162-M208 PolarHBondContact NE2-O 3.36Å
163A95.3Very high92.8Very high0 Ų053.5 Ų53.50%028%0.282CS..Hα-helixtrans-57.5-46.8173.700000111.5C119 I122 H123 P159 F160 L161 R165 F166 F167C119-A163 HydrophobicContact CB-CB 4.05Å; I122-A163 HydrophobicContact CB-CB 4.03Å; I122-A163 HydrophobicContact CD1-CB 3.76Å; I122-A163 HydrophobicContact CG2-CB 3.84Å; H123-A163 PolarHBondContact NE2-O 2.99Å; P159-A163 WeakPolarHBondContact O-CB 3.31Å; P159-A163 PolarHBondContact O-N 2.9Å; F160-A163 CarbonylContact O-C 3.51Å; F160-A163 WeakPolarHBondContact O-CB 3.47Å; F160-A163 PolarHBondContact O-N 3.49Å; L161-A163 VanDerWaalsContact C-N 3.33Å; L161-A163 PolarHBondContact O-N 3.13Å; A163-R165 VanDerWaalsContact C-N 3.35Å; A163-R165 PolarHBondContact O-N 3.29Å; A163-F166 PolarHBondContact O-N 2.92Å; A163-F167 WeakPolarHBondContact O-CB 2.99Å; A163-F167 PolarHBondContact O-N 3.43Å
164F95.8Very high93.2Very high1 Ų155.4 Ų55.40%0.00428%0.278CS..Hα-helixtrans-63.8-36.2178.6-68.4-54.1000113.8L6 V40 I126 I146 L148 F160 L161 Q162 F166 F167 K168 F176 I210L6-F164 HydrophobicContact CD1-CD1 4.15Å; L6-F164 HydrophobicContact CD1-CD2 3.82Å; L6-F164 HydrophobicContact CD1-CE1 4Å; L6-F164 HydrophobicContact CD1-CE2 3.67Å; L6-F164 HydrophobicContact CD1-CG 4.08Å; L6-F164 HydrophobicContact CD1-CZ 3.76Å; L6-F164 HydrophobicContact CD2-CB 3.81Å; L6-F164 HydrophobicContact CD2-CD1 4.35Å; L6-F164 HydrophobicContact CD2-CD2 3.86Å; L6-F164 HydrophobicContact CD2-CG 3.76Å; V40-F164 HydrophobicContact CG2-CZ 3.91Å; I126-F164 HydrophobicContact CD1-CD1 4.24Å; I126-F164 HydrophobicContact CD1-CE1 3.5Å; I126-F164 VanDerWaalsContact CD1-CE1 3.5Å; I126-F164 HydrophobicContact CD1-CZ 4.27Å; I146-F164 HydrophobicContact CD1-CE1 3.92Å; I146-F164 HydrophobicContact CG2-CE1 3.77Å; I146-F164 HydrophobicContact CG2-CZ 3.57Å; L148-F164 HydrophobicContact CB-CE2 4.44Å; L148-F164 HydrophobicContact CD1-CE2 4.25Å; L148-F164 HydrophobicContact CD2-CD2 4.41Å; L148-F164 HydrophobicContact CD2-CE2 4.11Å; F160-F164 HydrophobicContact CB-CE2 4.13Å; F160-F164 WeakPolarHBondContact O-CD2 2.98Å; F160-F164 WeakPolarHBondContact O-CG 3.45Å; F160-F164 PolarHBondContact O-N 3.23Å; L161-F164 PolarHBondContact O-N 3.36Å; Q162-F164 PolarHBondContact O-N 2.79Å; F164-F166 VanDerWaalsContact C-N 3.34Å; F164-F166 PolarHBondContact O-N 2.72Å; F164-F167 PolarHBondContact O-N 3.36Å; F164-K168 PolarHBondContact O-N 2.71Å; F164-F176 HydrophobicContact CD1-CZ 4.44Å; F164-I210 HydrophobicContact CB-CD1 4.2Å
165R93.9Very high93.5Very high97 Ų9752.8 Ų52.837%0.36626%0.264SS..Hα-helixtrans-56.6-49.9173.1-176-176.674.4167.21.5111.1L161 Q162 A163 F167 A169 M208 I210L161-R165 PolarHBondContact O-N 3.06Å; Q162-R165 WeakPolarHBondContact O-CB 2.95Å; Q162-R165 PolarHBondContact O-N 3.4Å; A163-R165 VanDerWaalsContact C-N 3.35Å; A163-R165 PolarHBondContact O-N 3.29Å; R165-F167 VanDerWaalsContact C-N 3.35Å; R165-A169 PolarHBondContact O-N 3.25Å; R165-M208 WeakPolarHBondContact CD-O 3.32Å; R165-I210 HydrophobicContact CB-CD1 4.31Å; R165-I210 HydrophobicContact CB-CG1 3.92Å; R165-I210 HydrophobicContact CG-CG1 4.4Å
166F92.8Very high93.7Very high64 Ų6445 Ų4528%0.28123%0.225SC..Hα-helixtrans-70-33.4178.1-65-63.6000112.3F115 Q162 A163 F164 A169 K170F115-F166 HydrophobicContact CD2-CD2 4.16Å; F115-F166 AromaticContact CD2-CE2 3.6Å; F115-F166 HydrophobicContact CD2-CE2 3.6Å; F115-F166 HydrophobicContact CD2-CZ 4.06Å; F115-F166 HydrophobicContact CE2-CD1 4.48Å; F115-F166 AromaticContact CE2-CD2 3.78Å; F115-F166 HydrophobicContact CE2-CD2 3.78Å; F115-F166 HydrophobicContact CE2-CE1 4.11Å; F115-F166 AromaticContact CE2-CE2 3.36Å; F115-F166 HydrophobicContact CE2-CE2 3.36Å; F115-F166 HydrophobicContact CE2-CG 4.33Å; F115-F166 AromaticContact CE2-CZ 3.51Å; F115-F166 HydrophobicContact CE2-CZ 3.51Å; F115-F166 HydrophobicContact CZ-CE1 4.39Å; F115-F166 HydrophobicContact CZ-CE2 4.3Å; F115-F166 HydrophobicContact CZ-CZ 4.01Å; Q162-F166 WeakPolarHBondContact O-CD2 3.4Å; Q162-F166 PolarHBondContact O-N 2.86Å; A163-F166 PolarHBondContact O-N 2.92Å; F164-F166 VanDerWaalsContact C-N 3.34Å; F164-F166 PolarHBondContact O-N 2.72Å; F166-A169 PolarHBondContact O-N 3.05Å; F166-K170 WeakPolarHBondContact O-CB 3.21Å; F166-K170 PolarHBondContact O-N 3.02Å
167F94.9Very high93.9Very high1 Ų139.4 Ų39.40%0.00420%0.199CC..Hα-helixtrans-64.7-43.4177.2-166.8-112.7000111.5Y4 H123 I126 A163 F164 R165 A169 K170 V171 F176Y4-F167 AromaticContact CD1-CE1 3.85Å; Y4-F167 HydrophobicContact CD1-CE1 3.85Å; Y4-F167 HydrophobicContact CD1-CZ 4.38Å; Y4-F167 AromaticContact CD2-CE1 3.94Å; Y4-F167 HydrophobicContact CD2-CE1 3.94Å; Y4-F167 HydrophobicContact CD2-CZ 4.41Å; Y4-F167 AromaticContact CE1-CE1 3.88Å; Y4-F167 HydrophobicContact CE1-CE1 3.88Å; Y4-F167 AromaticContact CE1-CZ 3.92Å; Y4-F167 HydrophobicContact CE1-CZ 3.92Å; Y4-F167 AromaticContact CE2-CE1 3.98Å; Y4-F167 HydrophobicContact CE2-CE1 3.98Å; Y4-F167 AromaticContact CE2-CZ 3.98Å; Y4-F167 HydrophobicContact CE2-CZ 3.98Å; Y4-F167 AromaticContact CG-CE1 3.88Å; Y4-F167 HydrophobicContact CG-CE1 3.88Å; Y4-F167 AromaticContact CZ-CE1 3.95Å; Y4-F167 AromaticContact CZ-CZ 3.72Å; H123-F167 HydrophobicContact CB-CD2 3.96Å; H123-F167 HydrophobicContact CB-CE2 4.3Å; H123-F167 AromaticContact CD2-CD2 3.71Å; H123-F167 AromaticContact CG-CD2 3.68Å; H123-F167 PolarHBondContact NE2-N 2.82Å; I126-F167 HydrophobicContact CG2-CE1 3.97Å; I126-F167 HydrophobicContact CG2-CZ 3.85Å; A163-F167 WeakPolarHBondContact O-CB 2.99Å; A163-F167 PolarHBondContact O-N 3.43Å; F164-F167 PolarHBondContact O-N 3.36Å; R165-F167 VanDerWaalsContact C-N 3.35Å; F167-A169 VanDerWaalsContact C-N 3.27Å; F167-A169 PolarHBondContact O-N 3.15Å; F167-K170 WeakPolarHBondContact O-CB 3.41Å; F167-K170 PolarHBondContact O-N 2.88Å; F167-V171 HydrophobicContact CD1-CG1 4.28Å; F167-V171 HydrophobicContact CD2-CG1 4.24Å; F167-V171 HydrophobicContact CE1-CG1 3.83Å; F167-V171 HydrophobicContact CE1-CG2 4.48Å; F167-V171 HydrophobicContact CE2-CG1 3.77Å; F167-V171 HydrophobicContact CG-CG1 4.48Å; F167-V171 HydrophobicContact CZ-CG1 3.55Å; F167-V171 WeakPolarHBondContact O-CG2 3.46Å; F167-V171 PolarHBondContact O-N 3.24Å; F167-F176 AromaticContact CD1-CD2 3.95Å; F167-F176 HydrophobicContact CD1-CD2 3.95Å; F167-F176 AromaticContact CD1-CE2 3.64Å; F167-F176 HydrophobicContact CD1-CE2 3.64Å; F167-F176 HydrophobicContact CE1-CD2 4.32Å; F167-F176 HydrophobicContact CE1-CE2 4.19Å
168K94.5Very high94.1Very high31 Ų3139.4 Ų39.414%0.13520%0.199CC..Hα-helixtrans-54.9-42.1173.5-179.9168.2-174.2165.20111.6F164 K172 F176 D213F164-K168 PolarHBondContact O-N 2.71Å; K168-K172 CarbonylContact O-C 3.59Å; K168-K172 VanDerWaalsContact O-C 3.29Å; K168-K172 WeakPolarHBondContact O-CA 3.41Å; K168-K172 PolarHBondContact O-N 3.48Å; K168-F176 HydrophobicContact CB-CB 4.41Å; K168-F176 HydrophobicContact CB-CD1 3.78Å; K168-F176 HydrophobicContact CB-CE1 4.13Å; K168-F176 HydrophobicContact CB-CG 3.99Å; K168-F176 HydrophobicContact CD-CD1 3.76Å; K168-F176 HydrophobicContact CD-CE1 4.32Å; K168-F176 HydrophobicContact CG-CB 4.08Å; K168-F176 HydrophobicContact CG-CD1 3.75Å; K168-F176 HydrophobicContact CG-CE1 4.47Å; K168-F176 HydrophobicContact CG-CG 4.05Å; K168-D213 IonicContact NZ-OD1 3.16Å; K168-D213 IonicContact NZ-OD2 3.55Å; K168-D213 PolarHBondContact NZ-OD2 3.04Å; K168-D213 VanDerWaalsContact NZ-OD2 3.16Å
169A92.3Very high94.2Very high75 Ų7536.2 Ų36.262%0.6218%0.183SC*.Hα-helixtrans-67.1-43.1174.500000112.2R165 F166 F167 K172R165-A169 PolarHBondContact O-N 3.25Å; F166-A169 PolarHBondContact O-N 3.05Å; F167-A169 VanDerWaalsContact C-N 3.27Å; F167-A169 PolarHBondContact O-N 3.15Å; A169-K172 PolarHBondContact O-N 3.24Å
170K93Very high94.3Very high122 Ų12235.4 Ų35.453%0.5318%0.178SC..Hα-helixtrans-62.6-45.3-179.8-174.4179-178177.50113F166 F167 K172F166-K170 WeakPolarHBondContact O-CB 3.21Å; F166-K170 PolarHBondContact O-N 3.02Å; F167-K170 WeakPolarHBondContact O-CB 3.41Å; F167-K170 PolarHBondContact O-N 2.88Å; K170-K172 VanDerWaalsContact C-N 3.33Å
171V93.8Very high94.2Very high13 Ų1335.3 Ų35.38%0.07918%0.177CC..Hα-helixtrans-86.9-3.4-179.1-54.50000113.6M1 Y4 F167 N175 F176M1-V171 HydrophobicContact CE-CB 4.25Å; Y4-V171 HydrophobicContact CD2-CB 4.5Å; Y4-V171 HydrophobicContact CD2-CG1 4.38Å; Y4-V171 HydrophobicContact CD2-CG2 4.18Å; Y4-V171 HydrophobicContact CE2-CB 4.43Å; Y4-V171 HydrophobicContact CE2-CG1 3.99Å; F167-V171 HydrophobicContact CD1-CG1 4.28Å; F167-V171 HydrophobicContact CD2-CG1 4.24Å; F167-V171 HydrophobicContact CE1-CG1 3.83Å; F167-V171 HydrophobicContact CE1-CG2 4.48Å; F167-V171 HydrophobicContact CE2-CG1 3.77Å; F167-V171 HydrophobicContact CG-CG1 4.48Å; F167-V171 HydrophobicContact CZ-CG1 3.55Å; F167-V171 WeakPolarHBondContact O-CG2 3.46Å; F167-V171 PolarHBondContact O-N 3.24Å; V171-N175 HydrophobicContact CG2-CB 4.41Å; V171-N175 WeakPolarHBondContact O-CB 3.22Å; V171-N175 PolarHBondContact O-ND2 3.14Å; V171-F176 HydrophobicContact CG2-CB 3.87Å; V171-F176 HydrophobicContact CG2-CD2 4.02Å; V171-F176 HydrophobicContact CG2-CG 4.38Å
172K93.3Very high94.1Very high128 Ų12835.4 Ų35.456%0.55718%0.177SC*.  trans70.9145.7-170.5-48.7173.9179.2179.70113.8K168 A169 K170 E174 N175K168-K172 CarbonylContact O-C 3.59Å; K168-K172 VanDerWaalsContact O-C 3.29Å; K168-K172 WeakPolarHBondContact O-CA 3.41Å; K168-K172 PolarHBondContact O-N 3.48Å; A169-K172 PolarHBondContact O-N 3.24Å; K170-K172 VanDerWaalsContact C-N 3.33Å; K172-E174 HydrophobicContact CB-CG 4.16Å; K172-E174 WeakPolarHBondContact CD-OE1 3.43Å; K172-E174 PolarHBondContact O-N 2.78Å; K172-E174 VanDerWaalsContact O-N 3.15Å; K172-N175 PolarHBondContact O-N 3.33Å
173S89.8Confident93.9Very high67 Ų6736.2 Ų36.247%0.46918%0.183SC..G310 helixtrans-59.5-27-177.4-61.20000114.6N175 F176 R268S173-N175 VanDerWaalsContact C-N 3.26Å; S173-N175 PolarHBondContact O-N 3.36Å; S173-F176 VanDerWaalsContact O-O 3.1Å; S173-R268 PolarHBondContact O-NH1 3Å; S173-R268 PolarHBondContact O-NH2 3.24Å
174E93.3Very high93.5Very high89 Ų8936.3 Ų36.342%0.41618%0.183SC..G310 helixtrans-71.4-16.9176.768.2-158.1-173.200113.6K172K172-E174 HydrophobicContact CB-CG 4.16Å; K172-E174 WeakPolarHBondContact CD-OE1 3.43Å; K172-E174 PolarHBondContact O-N 2.78Å; K172-E174 VanDerWaalsContact O-N 3.15Å
175N96.1Very high92.9Very high8 Ų838.3 Ų38.34%0.04320%0.197CC..G310 helixtrans-107.75.8179.6-57.6-54.9000112.8M1 K3 Y4 V171 K172 S173M1-N175 HydrophobicContact CE-CB 4.31Å; K3-N175 HydrophobicContact CD-CB 4.03Å; K3-N175 VanDerWaalsContact CD-OD1 3.25Å; K3-N175 WeakPolarHBondContact CD-OD1 3.46Å; K3-N175 WeakPolarHBondContact CE-OD1 3.4Å; K3-N175 PolarHBondContact NZ-OD1 2.9Å; Y4-N175 PolarHBondContact N-O 3.26Å; V171-N175 HydrophobicContact CG2-CB 4.41Å; V171-N175 WeakPolarHBondContact O-CB 3.22Å; V171-N175 PolarHBondContact O-ND2 3.14Å; K172-N175 PolarHBondContact O-N 3.33Å; S173-N175 VanDerWaalsContact C-N 3.26Å; S173-N175 PolarHBondContact O-N 3.36Å
176F96.6Very high92.1Very high1 Ų135.6 Ų35.60%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-140.6119.6-173.6-164-80.7000111.7Y4 L6 F164 F167 K168 V171 S173 T178Y4-F176 HydrophobicContact CG-CD2 4.24Å; Y4-F176 WeakPolarHBondContact O-CA 3.26Å; L6-F176 HydrophobicContact CB-CE1 3.88Å; L6-F176 HydrophobicContact CB-CZ 3.59Å; L6-F176 HydrophobicContact CD2-CE1 4.29Å; L6-F176 HydrophobicContact CD2-CZ 4.07Å; L6-F176 HydrophobicContact CG-CZ 4.41Å; F164-F176 HydrophobicContact CD1-CZ 4.44Å; F167-F176 AromaticContact CD1-CD2 3.95Å; F167-F176 HydrophobicContact CD1-CD2 3.95Å; F167-F176 AromaticContact CD1-CE2 3.64Å; F167-F176 HydrophobicContact CD1-CE2 3.64Å; F167-F176 HydrophobicContact CE1-CD2 4.32Å; F167-F176 HydrophobicContact CE1-CE2 4.19Å; K168-F176 HydrophobicContact CB-CB 4.41Å; K168-F176 HydrophobicContact CB-CD1 3.78Å; K168-F176 HydrophobicContact CB-CE1 4.13Å; K168-F176 HydrophobicContact CB-CG 3.99Å; K168-F176 HydrophobicContact CD-CD1 3.76Å; K168-F176 HydrophobicContact CD-CE1 4.32Å; K168-F176 HydrophobicContact CG-CB 4.08Å; K168-F176 HydrophobicContact CG-CD1 3.75Å; K168-F176 HydrophobicContact CG-CE1 4.47Å; K168-F176 HydrophobicContact CG-CG 4.05Å; V171-F176 HydrophobicContact CG2-CB 3.87Å; V171-F176 HydrophobicContact CG2-CD2 4.02Å; V171-F176 HydrophobicContact CG2-CG 4.38Å; S173-F176 VanDerWaalsContact O-O 3.1Å; F176-T178 HydrophobicContact CD1-CG2 4.06Å; F176-T178 HydrophobicContact CE1-CG2 3.57Å
177V95.8Very high90.9Very high1 Ų134.3 Ų34.31%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-116.2143.6176.6165.60000110.2Y4 I5 L6 V179 D213 L265 R268 L269Y4-V177 PolarHBondContact O-N 3.37Å; I5-V177 CarbonylContact C-O 3.54Å; I5-V177 WeakPolarHBondContact CA-O 3.38Å; L6-V177 PolarHBondContact N-O 3.22Å; V177-V179 HydrophobicContact CG1-CG2 4.29Å; V177-D213 HydrophobicContact CG1-CB 4.07Å; V177-L265 HydrophobicContact CB-CD2 4.48Å; V177-L265 HydrophobicContact CG1-CD2 3.73Å; V177-R268 HydrophobicContact CG2-CB 4Å; V177-R268 HydrophobicContact CG2-CG 3.29Å; V177-L269 HydrophobicContact CB-CD2 4.21Å; V177-L269 HydrophobicContact CB-CG 4.43Å; V177-L269 HydrophobicContact CG2-CD1 4.3Å; V177-L269 HydrophobicContact CG2-CD2 3.57Å; V177-L269 HydrophobicContact CG2-CG 3.71Å
178T95.2Very high88.7Confident0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans-114.4127.4175.553.70000110.7L6 F176 F205 I210 N211 P212 D213 V214L6-T178 HydrophobicContact CB-CG2 4.38Å; L6-T178 HydrophobicContact CD2-CG2 4.33Å; L6-T178 CarbonylContact O-C 3.53Å; L6-T178 WeakPolarHBondContact O-CA 3.45Å; F176-T178 HydrophobicContact CD1-CG2 4.06Å; F176-T178 HydrophobicContact CE1-CG2 3.57Å; T178-F205 HydrophobicContact CG2-CZ 4.45Å; T178-I210 HydrophobicContact CG2-CG2 3.74Å; T178-N211 PolarHBondContact OG1-O 3.41Å; T178-P212 VanDerWaalsContact OG1-CA 3.23Å; T178-P212 WeakPolarHBondContact OG1-CA 3.48Å; T178-D213 PolarHBondContact N-OD2 3.41Å; T178-D213 WeakPolarHBondContact O-CB 3.48Å; T178-D213 PolarHBondContact O-N 3.42Å; T178-D213 PolarHBondContact OG1-N 3.4Å; T178-D213 PolarHBondContact OG1-OD2 2.86Å; T178-V214 PolarHBondContact O-N 2.94Å
179V95.6Very high86.7Confident0 Ų043.1 Ų43.10%026%0.262CS..EExtended strand (participates in β ladder)trans-113.7117.7174.7-176.10000107.7I5 L6 V7 T8 I24 V177 V214 V216I5-V179 HydrophobicContact CG2-CG2 3.79Å; L6-V179 PolarHBondContact O-N 3.21Å; V7-V179 CarbonylContact C-O 3.54Å; V7-V179 WeakPolarHBondContact CA-O 3.32Å; V7-V179 HydrophobicContact CG2-CB 4.4Å; T8-V179 PolarHBondContact N-O 3.18Å; T8-V179 PolarHBondContact OG1-O 2.95Å; I24-V179 HydrophobicContact CD1-CB 4.49Å; I24-V179 HydrophobicContact CD1-CG1 4.22Å; I24-V179 HydrophobicContact CD1-CG2 4.13Å; V177-V179 HydrophobicContact CG1-CG2 4.29Å; V179-V214 CarbonylContact C-O 3.48Å; V179-V214 WeakPolarHBondContact CA-O 3.22Å; V179-V214 HydrophobicContact CG1-CB 4.46Å; V179-V214 HydrophobicContact CG1-CG1 4.47Å; V179-V214 HydrophobicContact CG2-CB 4.24Å; V179-V216 HydrophobicContact CG1-CG2 3.61Å
180H94.7Very high84.9Confident0 Ų048.5 Ų48.50%027%0.271CS..EExtended strand (participates in β ladder)trans-109.8117.5-178.5-169.660.7000110.4T8 C182 S201 F205 P212 V214 V215 V216T8-H180 PolarHBondContact OG1-ND1 2.81Å; H180-C182 PolarHBondContact CD2-SG 2.9Å; H180-S201 PolarHBondContact NE2-OG 2.84Å; H180-F205 HydrophobicContact CB-CD1 4.23Å; H180-F205 HydrophobicContact CB-CE1 4.23Å; H180-F205 AromaticContact CG-CD1 3.99Å; H180-F205 AromaticContact ND1-CD1 3.99Å; H180-P212 HydrophobicContact CB-CB 3.94Å; H180-V214 PolarHBondContact N-O 3.42Å; H180-V215 WeakPolarHBondContact O-CA 3.29Å; H180-V216 PolarHBondContact O-N 3.43Å
181V94.7Very high83.5Confident0 Ų046 Ų460%028%0.28CS..EExtended strand (participates in β ladder)trans-93.6116.5-177.5-169.60000109.4V7 T8 G10 I15 K17 I20 V216 R218V7-V181 HydrophobicContact CG1-CG2 3.92Å; T8-V181 PolarHBondContact O-N 3.05Å; G10-V181 PolarHBondContact N-O 2.95Å; I15-V181 HydrophobicContact CD1-CB 4.04Å; I15-V181 HydrophobicContact CD1-CG1 3.7Å; I15-V181 VanDerWaalsContact CD1-O 3.29Å; I15-V181 WeakPolarHBondContact CD1-O 3.41Å; I15-V181 HydrophobicContact CG1-CG1 4.14Å; K17-V181 HydrophobicContact CG-CG2 4.36Å; I20-V181 HydrophobicContact CB-CG2 4.26Å; I20-V181 HydrophobicContact CG1-CG1 4.41Å; I20-V181 HydrophobicContact CG1-CG2 4.34Å; I20-V181 HydrophobicContact CG2-CG2 4.12Å; V181-V216 CarbonylContact C-O 3.47Å; V181-V216 WeakPolarHBondContact CA-O 3.44Å; V181-V216 HydrophobicContact CG1-CG1 4.49Å; V181-V216 HydrophobicContact CG2-CB 4.33Å; V181-R218 HydrophobicContact CG1-CG 3.6Å
182C91.6Very high82.3Confident1 Ų150.5 Ų50.51%0.00731%0.308CS..EExtended strand (participates in β ladder)trans-114.8148.5-177.7-60.90000111.4H180 I198 V216 R218H180-C182 PolarHBondContact CD2-SG 2.9Å; C182-I198 HydrophobicContact CB-CB 4.4Å; C182-I198 HydrophobicContact CB-CG1 4.11Å; C182-I198 HydrophobicContact CB-CG2 3.91Å; C182-V216 PolarHBondContact N-O 2.87Å; C182-R218 PolarHBondContact O-N 3.49Å
183L89.9Confident81.3Confident62 Ų6245.5 Ų45.533%0.32529%0.287SS..EExtended strand (participates in β ladder)trans-83.1125.2168.8-17965.7000109.9V11 A12 I15V11-L183 HydrophobicContact CG2-CB 4.46Å; A12-L183 HydrophobicContact CB-CD2 4.18Å; I15-L183 HydrophobicContact CG2-CB 4.3Å; I15-L183 HydrophobicContact CG2-CD1 4.47Å
184L87Confident80.7Confident1 Ų144.7 Ų44.71%0.00528%0.281CS..  trans-107.299.5167.2179.848.7000107.9L193 L195 I198 C217 R218 T219 I223 F227L184-L193 HydrophobicContact CD1-CB 4.47Å; L184-L195 HydrophobicContact CD1-CD2 4.47Å; L184-I198 HydrophobicContact CB-CD1 4.09Å; L184-I198 HydrophobicContact CD1-CD1 3.87Å; L184-I198 HydrophobicContact CD2-CD1 4.22Å; L184-I198 HydrophobicContact CG-CD1 4.28Å; L184-C217 HydrophobicContact CB-CB 4.32Å; L184-C217 HydrophobicContact CD2-CB 4.31Å; L184-R218 PolarHBondContact N-O 2.72Å; L184-T219 PolarHBondContact O-OG1 3.14Å; L184-I223 HydrophobicContact CD2-CD1 3.37Å; L184-I223 HydrophobicContact CD2-CG1 4.5Å; L184-I223 HydrophobicContact CG-CD1 4.35Å; L184-F227 HydrophobicContact CD2-CE1 4.14Å
185P83.3Confident80.1Confident44 Ų4442.1 Ų42.129%0.28627%0.27SS..  trans-64.3146.3-179.228.1-35.3000110.8L193 P197P185-L193 VanDerWaalsContact O-CD2 3.3Å; P185-L193 WeakPolarHBondContact O-CD2 3.31Å; P185-P197 HydrophobicContact CG-CG 3.93Å
186D76.5Confident79.5Confident39 Ų3947.4 Ų47.421%0.20930%0.299CS..  trans-61.6155175.2-59.3-51.2000111.5S188 T219 R220 T221D186-S188 PolarHBondContact O-N 3.3Å; D186-T219 PolarHBondContact OD1-OG1 3.36Å; D186-R220 PolarHBondContact OD1-N 2.89Å; D186-R220 WeakPolarHBondContact OD2-CB 3.5Å; D186-R220 WeakPolarHBondContact OD2-CD 3.41Å; D186-R220 VanDerWaalsContact OD2-CG 3.23Å; D186-R220 WeakPolarHBondContact OD2-CG 3.25Å; D186-T221 PolarHBondContact OD1-N 3.09Å; D186-T221 PolarHBondContact OD1-OG1 3.24Å
187A66.2Low79Confident37 Ų3749 Ų4931%0.30631%0.309SS..  trans-74.272.2175.300000110.9A189 L193A187-A189 VanDerWaalsContact C-N 3.25Å; A187-A189 PolarHBondContact O-N 3.29Å; A187-L193 HydrophobicContact CB-CD2 4Å; A187-L193 HydrophobicContact CB-CG 4.13Å
188S49.9Very low78.5Confident121 Ų12149 Ų4985%0.84631%0.309SS*.THydrogen-bonded Turntrans-74.112.5-165.257.80000117.6D186D186-S188 PolarHBondContact O-N 3.3Å
189A52Low78.1Confident96 Ų9651.8 Ų51.879%0.79333%0.328SS*.THydrogen-bonded Turntrans-168.7-32.3171.600000114.6A187A187-A189 VanDerWaalsContact C-N 3.25Å; A187-A189 PolarHBondContact O-N 3.29Å
190K55.8Low77.7Confident188 Ų18857.5 Ų57.582%0.81735%0.353SS*.THydrogen-bonded Turntrans-103.40.8-168.7-66.5-174.8178.1-178.50114.5V192K190-V192 PolarHBondContact O-N 2.97Å
191G63.4Low77.5Confident70 Ų7057.5 Ų57.572%0.72235%0.354SS*.SBendtrans653.5-171.500000114.6
192V68Low77.2Confident107 Ų10757.8 Ų57.865%0.64836%0.355SS*.  trans-109.5118.7179.2-177.70000109.1K190K190-V192 PolarHBondContact O-N 2.97Å
193L71.5Confident77.1Confident23 Ų2359.8 Ų59.812%0.1237%0.369CS..  trans-71.7130.9171.3-74.2167.4000109.8L184 P185 A187 I223 F227L184-L193 HydrophobicContact CD1-CB 4.47Å; P185-L193 VanDerWaalsContact O-CD2 3.3Å; P185-L193 WeakPolarHBondContact O-CD2 3.31Å; A187-L193 HydrophobicContact CB-CD2 4Å; A187-L193 HydrophobicContact CB-CG 4.13Å; L193-I223 HydrophobicContact CD1-CG1 4.36Å; L193-I223 HydrophobicContact CD1-CG2 4.41Å; L193-F227 HydrophobicContact CB-CD2 4.43Å; L193-F227 HydrophobicContact CB-CE1 3.73Å; L193-F227 HydrophobicContact CB-CE2 3.63Å; L193-F227 HydrophobicContact CB-CZ 3.22Å; L193-F227 HydrophobicContact CD1-CD1 3.45Å; L193-F227 VanDerWaalsContact CD1-CD1 3.45Å; L193-F227 HydrophobicContact CD1-CD2 3.98Å; L193-F227 HydrophobicContact CD1-CE1 3.43Å; L193-F227 VanDerWaalsContact CD1-CE1 3.43Å; L193-F227 HydrophobicContact CD1-CE2 3.98Å; L193-F227 HydrophobicContact CD1-CG 3.74Å; L193-F227 HydrophobicContact CD1-CZ 3.73Å; L193-F227 HydrophobicContact CG-CE1 4.21Å; L193-F227 HydrophobicContact CG-CE2 4.35Å; L193-F227 HydrophobicContact CG-CZ 4.1Å
194S78.6Confident77.1Confident50 Ų5058.5 Ų58.535%0.3536%0.361SS..  trans-85.9117.3179.4-177.10000110.8N196 P197S194-N196 VanDerWaalsContact C-N 3.33Å; S194-P197 WeakPolarHBondContact O-CD 3.4Å
195L80.2Confident77.3Confident36 Ų3658.5 Ų58.519%0.18836%0.361CS..  trans-81.1-13.4175.4-61.3-178.8000113.1L184 P197 I198 S199 F227 V231 A234L184-L195 HydrophobicContact CD1-CD2 4.47Å; L195-P197 VanDerWaalsContact C-CD 3.45Å; L195-I198 HydrophobicContact CD2-CD1 4.27Å; L195-I198 PolarHBondContact O-N 3.4Å; L195-S199 PolarHBondContact O-N 2.82Å; L195-S199 PolarHBondContact O-OG 3.41Å; L195-F227 HydrophobicContact CD2-CE1 3.79Å; L195-F227 HydrophobicContact CD2-CZ 3.59Å; L195-F227 HydrophobicContact CG-CZ 4.18Å; L195-V231 HydrophobicContact CD2-CG2 3.7Å; L195-A234 HydrophobicContact CD1-CB 3.96Å
196N83.9Confident77.7Confident119 Ų11959.9 Ų59.964%0.63637%0.365SS*.Hα-helixtrans-53-42.8-175-65.6-8.5000113.8S194 I198 S199 F200S194-N196 VanDerWaalsContact C-N 3.33Å; N196-I198 VanDerWaalsContact C-N 3.3Å; N196-I198 PolarHBondContact O-N 2.84Å; N196-S199 PolarHBondContact O-N 3.01Å; N196-F200 VanDerWaalsContact O-CB 3.31Å; N196-F200 WeakPolarHBondContact O-CB 3.42Å; N196-F200 PolarHBondContact O-N 3.34Å
197P85.8Confident78.4Confident34 Ų3464.8 Ų64.822%0.22138%0.384CS..Hα-helixtrans-62.4-37.3177.6-24.336.8000112.7P185 S194 L195 S201P185-P197 HydrophobicContact CG-CG 3.93Å; S194-P197 WeakPolarHBondContact O-CD 3.4Å; L195-P197 VanDerWaalsContact C-CD 3.45Å; P197-S201 VanDerWaalsContact O-CB 3.24Å; P197-S201 WeakPolarHBondContact O-CB 3.25Å; P197-S201 PolarHBondContact O-N 2.93Å
198I85.7Confident79.6Confident0 Ų064.4 Ų64.40%038%0.376CS..Hα-helixtrans-70.8-47.9177.4-51.3166.9000109.8C182 L184 L195 N196 F200 S201 L202 V215 V231 M235C182-I198 HydrophobicContact CB-CB 4.4Å; C182-I198 HydrophobicContact CB-CG1 4.11Å; C182-I198 HydrophobicContact CB-CG2 3.91Å; L184-I198 HydrophobicContact CB-CD1 4.09Å; L184-I198 HydrophobicContact CD1-CD1 3.87Å; L184-I198 HydrophobicContact CD2-CD1 4.22Å; L184-I198 HydrophobicContact CG-CD1 4.28Å; L195-I198 HydrophobicContact CD2-CD1 4.27Å; L195-I198 PolarHBondContact O-N 3.4Å; N196-I198 VanDerWaalsContact C-N 3.3Å; N196-I198 PolarHBondContact O-N 2.84Å; I198-F200 VanDerWaalsContact C-N 3.29Å; I198-F200 PolarHBondContact O-N 2.75Å; I198-S201 WeakPolarHBondContact O-CB 3.22Å; I198-S201 PolarHBondContact O-N 2.87Å; I198-S201 VanDerWaalsContact O-N 3.15Å; I198-L202 HydrophobicContact CG2-CD1 3.78Å; I198-L202 HydrophobicContact CG2-CG 4.1Å; I198-L202 WeakPolarHBondContact O-CB 3.15Å; I198-L202 VanDerWaalsContact O-CG 3.27Å; I198-L202 WeakPolarHBondContact O-CG 3.46Å; I198-L202 PolarHBondContact O-N 3.18Å; I198-V215 HydrophobicContact CG2-CG1 4.35Å; I198-V231 HydrophobicContact CD1-CG1 4.41Å; I198-M235 HydrophobicContact CB-CE 3.93Å; I198-M235 HydrophobicContact CD1-CE 4.17Å; I198-M235 HydrophobicContact CG2-CE 3.26Å; I198-M235 HydrophobicContact CG2-SD 4.38Å
199S85.8Confident81.5Confident59 Ų5960.6 Ų60.641%0.41336%0.356SS..Hα-helixtrans-57.4-42.2177.6-58.80000112.2L195 N196 S203L195-S199 PolarHBondContact O-N 2.82Å; L195-S199 PolarHBondContact O-OG 3.41Å; N196-S199 PolarHBondContact O-N 3.01Å; S199-S203 WeakPolarHBondContact O-CB 3.47Å; S199-S203 PolarHBondContact O-N 2.99Å
200F87.7Confident83.3Confident120 Ų12056.2 Ų56.253%0.52632%0.32SS..Hα-helixtrans-64.3-46.9175.4-178.5-94.8000111.7V11 N196 I198 L202 S203 E204V11-F200 HydrophobicContact CG1-CD1 3.7Å; V11-F200 HydrophobicContact CG1-CE1 4.17Å; N196-F200 VanDerWaalsContact O-CB 3.31Å; N196-F200 WeakPolarHBondContact O-CB 3.42Å; N196-F200 PolarHBondContact O-N 3.34Å; I198-F200 VanDerWaalsContact C-N 3.29Å; I198-F200 PolarHBondContact O-N 2.75Å; F200-L202 VanDerWaalsContact C-N 3.34Å; F200-L202 PolarHBondContact O-N 2.6Å; F200-S203 WeakPolarHBondContact O-CB 3.25Å; F200-S203 PolarHBondContact O-N 2.57Å; F200-E204 HydrophobicContact CD1-CG 4.24Å; F200-E204 HydrophobicContact CE1-CG 3.75Å; F200-E204 HydrophobicContact CE2-CG 4.4Å; F200-E204 HydrophobicContact CZ-CG 3.84Å; F200-E204 PolarHBondContact O-N 2.98Å
201S89.6Confident84.9Confident1 Ų151.9 Ų51.91%0.00731%0.305CS..Hα-helixtrans-57.2-46.4177.5-166.70000112.3G10 H180 P197 I198 E204 F205G10-S201 WeakPolarHBondContact CA-OG 3.25Å; H180-S201 PolarHBondContact NE2-OG 2.84Å; P197-S201 VanDerWaalsContact O-CB 3.24Å; P197-S201 WeakPolarHBondContact O-CB 3.25Å; P197-S201 PolarHBondContact O-N 2.93Å; I198-S201 WeakPolarHBondContact O-CB 3.22Å; I198-S201 PolarHBondContact O-N 2.87Å; I198-S201 VanDerWaalsContact O-N 3.15Å; S201-E204 PolarHBondContact O-N 3.22Å; S201-F205 PolarHBondContact O-N 2.95Å
202L88.8Confident86.2Confident6 Ų648.8 Ų48.83%0.03127%0.272CS..Hα-helixtrans-65.8-41.5178-66.8170.4000111.4I198 F200 F205 M206 P212 V215 M235 F237I198-L202 HydrophobicContact CG2-CD1 3.78Å; I198-L202 HydrophobicContact CG2-CG 4.1Å; I198-L202 WeakPolarHBondContact O-CB 3.15Å; I198-L202 VanDerWaalsContact O-CG 3.27Å; I198-L202 WeakPolarHBondContact O-CG 3.46Å; I198-L202 PolarHBondContact O-N 3.18Å; F200-L202 VanDerWaalsContact C-N 3.34Å; F200-L202 PolarHBondContact O-N 2.6Å; L202-F205 PolarHBondContact O-N 2.85Å; L202-M206 HydrophobicContact CB-CE 4.18Å; L202-M206 WeakPolarHBondContact O-CB 3.36Å; L202-M206 WeakPolarHBondContact O-CE 3.38Å; L202-M206 WeakPolarHBondContact O-CG 3.21Å; L202-M206 PolarHBondContact O-N 2.86Å; L202-P212 HydrophobicContact CD2-CB 4.42Å; L202-P212 HydrophobicContact CD2-CG 3.6Å; L202-V215 HydrophobicContact CD2-CG1 4.41Å; L202-V215 HydrophobicContact CD2-CG2 3.72Å; L202-M235 HydrophobicContact CD1-CE 3.9Å; L202-M235 HydrophobicContact CD1-CG 4.08Å; L202-M235 HydrophobicContact CD1-SD 3.73Å; L202-F237 HydrophobicContact CB-CE2 4.38Å; L202-F237 HydrophobicContact CD1-CD2 4.18Å; L202-F237 HydrophobicContact CD1-CE2 3.99Å; L202-F237 HydrophobicContact CD2-CD2 4.34Å; L202-F237 HydrophobicContact CD2-CE2 4.03Å; L202-F237 HydrophobicContact CG-CE2 4.37Å
203S89.3Confident87.4Confident43 Ų4345.1 Ų45.130%0.30125%0.249SC..Hα-helixtrans-58.5-48.4174.31690000111.5S199 F200 F205 M206 K207S199-S203 WeakPolarHBondContact O-CB 3.47Å; S199-S203 PolarHBondContact O-N 2.99Å; F200-S203 WeakPolarHBondContact O-CB 3.25Å; F200-S203 PolarHBondContact O-N 2.57Å; S203-F205 VanDerWaalsContact C-N 3.34Å; S203-F205 PolarHBondContact O-N 3.24Å; S203-M206 PolarHBondContact O-N 3.43Å; S203-K207 WeakPolarHBondContact O-CB 3.49Å; S203-K207 VanDerWaalsContact O-CG 3.27Å; S203-K207 WeakPolarHBondContact O-CG 3.36Å; S203-K207 PolarHBondContact O-N 3.35Å
204E90.4Very high88.4Confident35 Ų3544.1 Ų44.116%0.16424%0.244CC..Hα-helixtrans-61.6-41.7177.5-72.7-57.2117.500112.1V152 F200 S201 K207 M208V152-E204 HydrophobicContact CG2-CB 4.11Å; F200-E204 HydrophobicContact CD1-CG 4.24Å; F200-E204 HydrophobicContact CE1-CG 3.75Å; F200-E204 HydrophobicContact CE2-CG 4.4Å; F200-E204 HydrophobicContact CZ-CG 3.84Å; F200-E204 PolarHBondContact O-N 2.98Å; S201-E204 PolarHBondContact O-N 3.22Å; E204-K207 PolarHBondContact O-N 3.07Å; E204-K207 WeakPolarHBondContact OE1-CD 3.47Å; E204-K207 WeakPolarHBondContact OE1-CE 3.4Å; E204-K207 IonicContact OE1-NZ 3.46Å; E204-K207 PolarHBondContact OE1-NZ 3.19Å; E204-M208 PolarHBondContact O-N 2.93Å
205F91.2Very high89Confident0 Ų041.8 Ų41.80%023%0.228CC..Hα-helixtrans-65.4-42.8177-170-136.1000112.4T8 V152 L161 T178 H180 S201 L202 S203 M208 I210 P212T8-F205 HydrophobicContact CG2-CE2 3.92Å; T8-F205 HydrophobicContact CG2-CZ 4.13Å; V152-F205 HydrophobicContact CB-CD2 4.41Å; V152-F205 HydrophobicContact CG1-CB 4.37Å; V152-F205 HydrophobicContact CG1-CD2 3.57Å; V152-F205 HydrophobicContact CG1-CE2 4.21Å; V152-F205 HydrophobicContact CG1-CG 4.26Å; V152-F205 HydrophobicContact CG2-CB 4.43Å; L161-F205 HydrophobicContact CD2-CD2 4.47Å; L161-F205 HydrophobicContact CD2-CE2 4.12Å; T178-F205 HydrophobicContact CG2-CZ 4.45Å; H180-F205 HydrophobicContact CB-CD1 4.23Å; H180-F205 HydrophobicContact CB-CE1 4.23Å; H180-F205 AromaticContact CG-CD1 3.99Å; H180-F205 AromaticContact ND1-CD1 3.99Å; S201-F205 PolarHBondContact O-N 2.95Å; L202-F205 PolarHBondContact O-N 2.85Å; S203-F205 VanDerWaalsContact C-N 3.34Å; S203-F205 PolarHBondContact O-N 3.24Å; F205-M208 WeakPolarHBondContact O-CB 3.32Å; F205-M208 PolarHBondContact O-N 2.88Å; F205-I210 CarbonylContact C-O 3.35Å; F205-I210 HydrophobicContact CD2-CB 4.36Å; F205-I210 HydrophobicContact CE1-CB 4.3Å; F205-I210 HydrophobicContact CE1-CG2 3.83Å; F205-I210 HydrophobicContact CE2-CB 3.85Å; F205-I210 HydrophobicContact CE2-CD1 4.04Å; F205-I210 HydrophobicContact CE2-CG2 3.87Å; F205-I210 HydrophobicContact CZ-CB 3.83Å; F205-I210 HydrophobicContact CZ-CD1 4.49Å; F205-I210 HydrophobicContact CZ-CG2 3.35Å; F205-P212 HydrophobicContact CD1-CB 4.05Å; F205-P212 HydrophobicContact CD1-CG 4.1Å; F205-P212 HydrophobicContact CE1-CB 3.93Å; F205-P212 HydrophobicContact CE1-CG 4.42Å
206M91Very high89.6Confident74 Ų7440 Ų4037%0.36522%0.219SC..Hα-helixtrans-67.2-33.8175.8-75.4-172.7-76.900113.2L202 S203 M208 G209 F237L202-M206 HydrophobicContact CB-CE 4.18Å; L202-M206 WeakPolarHBondContact O-CB 3.36Å; L202-M206 WeakPolarHBondContact O-CE 3.38Å; L202-M206 WeakPolarHBondContact O-CG 3.21Å; L202-M206 PolarHBondContact O-N 2.86Å; S203-M206 PolarHBondContact O-N 3.43Å; M206-M208 PolarHBondContact O-N 2.72Å; M206-G209 WeakPolarHBondContact O-CA 3.46Å; M206-G209 PolarHBondContact O-N 3.16Å; M206-F237 HydrophobicContact CE-CE2 4.36Å; M206-F237 HydrophobicContact CE-CZ 4.08Å; M206-F237 HydrophobicContact CG-CZ 4.23Å; M206-F237 HydrophobicContact SD-CE1 4.48Å; M206-F237 HydrophobicContact SD-CE2 4.44Å; M206-F237 HydrophobicContact SD-CZ 3.61Å
207K91.7Very high89.9Confident141 Ų14134.4 Ų34.461%0.61319%0.188SC*.Hα-helixtrans-59.1-27.3173-78.9173.1-174.2174.20112.1S203 E204 G209S203-K207 WeakPolarHBondContact O-CB 3.49Å; S203-K207 VanDerWaalsContact O-CG 3.27Å; S203-K207 WeakPolarHBondContact O-CG 3.36Å; S203-K207 PolarHBondContact O-N 3.35Å; E204-K207 PolarHBondContact O-N 3.07Å; E204-K207 WeakPolarHBondContact OE1-CD 3.47Å; E204-K207 WeakPolarHBondContact OE1-CE 3.4Å; E204-K207 IonicContact OE1-NZ 3.46Å; E204-K207 PolarHBondContact OE1-NZ 3.19Å; K207-G209 PolarHBondContact O-N 2.97Å
208M90.7Very high90.2Very high29 Ų2934.3 Ų34.314%0.14318%0.184CC..THydrogen-bonded Turntrans-76.2-4.4173.1-60-63.8161.300113I158 L161 Q162 R165 E204 F205 M206I158-M208 HydrophobicContact CG1-CE 4.31Å; L161-M208 HydrophobicContact CB-CB 4.4Å; L161-M208 HydrophobicContact CB-CG 4.47Å; L161-M208 HydrophobicContact CD1-CG 3.99Å; Q162-M208 PolarHBondContact NE2-O 3.36Å; R165-M208 WeakPolarHBondContact CD-O 3.32Å; E204-M208 PolarHBondContact O-N 2.93Å; F205-M208 WeakPolarHBondContact O-CB 3.32Å; F205-M208 PolarHBondContact O-N 2.88Å; M206-M208 PolarHBondContact O-N 2.72Å
209G89.7Confident90.4Very high41 Ų4134.5 Ų34.542%0.42319%0.185SC..THydrogen-bonded Turntrans8221.2-178.700000113.7M206 K207M206-G209 WeakPolarHBondContact O-CA 3.46Å; M206-G209 PolarHBondContact O-N 3.16Å; K207-G209 PolarHBondContact O-N 2.97Å
210I90.8Very high90.5Very high5 Ų540.3 Ų40.33%0.02620%0.198CC..  trans-117.8120.8177.5-52.9176.3000109.2L161 F164 R165 T178 F205L161-I210 HydrophobicContact CD2-CD1 4.33Å; L161-I210 WeakPolarHBondContact O-CD1 3.33Å; F164-I210 HydrophobicContact CB-CD1 4.2Å; R165-I210 HydrophobicContact CB-CD1 4.31Å; R165-I210 HydrophobicContact CB-CG1 3.92Å; R165-I210 HydrophobicContact CG-CG1 4.4Å; T178-I210 HydrophobicContact CG2-CG2 3.74Å; F205-I210 CarbonylContact C-O 3.35Å; F205-I210 HydrophobicContact CD2-CB 4.36Å; F205-I210 HydrophobicContact CE1-CB 4.3Å; F205-I210 HydrophobicContact CE1-CG2 3.83Å; F205-I210 HydrophobicContact CE2-CB 3.85Å; F205-I210 HydrophobicContact CE2-CD1 4.04Å; F205-I210 HydrophobicContact CE2-CG2 3.87Å; F205-I210 HydrophobicContact CZ-CB 3.83Å; F205-I210 HydrophobicContact CZ-CD1 4.49Å; F205-I210 HydrophobicContact CZ-CG2 3.35Å
211N89.7Confident90.5Very high96 Ų9638.1 Ų38.151%0.51319%0.194SC..  trans-89.5128.3173.3-65.6-27.5000109.8T178 F237T178-N211 PolarHBondContact OG1-O 3.41Å; N211-F237 HydrophobicContact CB-CE1 4.37Å
212P90.6Very high90.2Very high5 Ų544.1 Ų44.13%0.03223%0.225CC..  trans-66.2133.3173.224.7-28.9000111T178 H180 L202 F205 V215 F237T178-P212 VanDerWaalsContact OG1-CA 3.23Å; T178-P212 WeakPolarHBondContact OG1-CA 3.48Å; H180-P212 HydrophobicContact CB-CB 3.94Å; L202-P212 HydrophobicContact CD2-CB 4.42Å; L202-P212 HydrophobicContact CD2-CG 3.6Å; F205-P212 HydrophobicContact CD1-CB 4.05Å; F205-P212 HydrophobicContact CD1-CG 4.1Å; F205-P212 HydrophobicContact CE1-CB 3.93Å; F205-P212 HydrophobicContact CE1-CG 4.42Å; P212-V215 HydrophobicContact CB-CG2 4.18Å; P212-V215 HydrophobicContact CG-CG2 4.3Å; P212-F237 VanDerWaalsContact CD-CE1 3.43Å; P212-F237 HydrophobicContact CG-CD1 3.87Å; P212-F237 HydrophobicContact CG-CD2 4.14Å; P212-F237 HydrophobicContact CG-CE1 3.57Å; P212-F237 HydrophobicContact CG-CE2 3.86Å; P212-F237 HydrophobicContact CG-CG 4.14Å; P212-F237 HydrophobicContact CG-CZ 3.55Å; P212-F237 WeakPolarHBondContact O-CD1 3.5Å
213D91.8Very high89.7Confident31 Ų3144.5 Ų44.517%0.16623%0.227CC..SBendtrans-86.7-36.7173.2-60.7-90.8000110.2K168 V177 T178 R268K168-D213 IonicContact NZ-OD1 3.16Å; K168-D213 IonicContact NZ-OD2 3.55Å; K168-D213 PolarHBondContact NZ-OD2 3.04Å; K168-D213 VanDerWaalsContact NZ-OD2 3.16Å; V177-D213 HydrophobicContact CG1-CB 4.07Å; T178-D213 PolarHBondContact N-OD2 3.41Å; T178-D213 WeakPolarHBondContact O-CB 3.48Å; T178-D213 PolarHBondContact O-N 3.42Å; T178-D213 PolarHBondContact OG1-N 3.4Å; T178-D213 PolarHBondContact OG1-OD2 2.86Å; D213-R268 IonicContact OD1-CZ 3.45Å; D213-R268 IonicContact OD1-NE 3.22Å; D213-R268 PolarHBondContact OD1-NE 3.26Å; D213-R268 IonicContact OD1-NH2 3.64Å; D213-R268 PolarHBondContact OD1-NH2 2.96Å
214V93Very high88.9Confident2 Ų245.6 Ų45.61%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-131.3135.9175.8-178.70000109.8T178 V179 H180 V216 I241 L261 I264T178-V214 PolarHBondContact O-N 2.94Å; V179-V214 CarbonylContact C-O 3.48Å; V179-V214 WeakPolarHBondContact CA-O 3.22Å; V179-V214 HydrophobicContact CG1-CB 4.46Å; V179-V214 HydrophobicContact CG1-CG1 4.47Å; V179-V214 HydrophobicContact CG2-CB 4.24Å; H180-V214 PolarHBondContact N-O 3.42Å; V214-V216 HydrophobicContact CG1-CG2 4.35Å; V214-I241 HydrophobicContact CG1-CD1 3.95Å; V214-I241 HydrophobicContact CG1-CG1 4.33Å; V214-L261 HydrophobicContact CG1-CD1 4.09Å; V214-L261 HydrophobicContact CG2-CD1 4.34Å; V214-I264 HydrophobicContact CG2-CG2 3.77Å
215V91.8Very high88Confident0 Ų046 Ų460%025%0.247CC..EExtended strand (participates in β ladder)trans-110.1124.4173.6-177.50000109.3H180 I198 L202 P212 M235 F237 Q239 V240 I241H180-V215 WeakPolarHBondContact O-CA 3.29Å; I198-V215 HydrophobicContact CG2-CG1 4.35Å; L202-V215 HydrophobicContact CD2-CG1 4.41Å; L202-V215 HydrophobicContact CD2-CG2 3.72Å; P212-V215 HydrophobicContact CB-CG2 4.18Å; P212-V215 HydrophobicContact CG-CG2 4.3Å; V215-M235 HydrophobicContact CG1-SD 4.46Å; V215-F237 HydrophobicContact CG2-CD2 4.41Å; V215-Q239 PolarHBondContact N-O 3.49Å; V215-V240 HydrophobicContact CB-CG2 4.5Å; V215-V240 CarbonylContact O-C 3.48Å; V215-V240 WeakPolarHBondContact O-CA 3.15Å; V215-I241 PolarHBondContact O-N 2.9Å
216V92.9Very high86.9Confident0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-106.8109176-179.40000109.1I20 V179 H180 V181 C182 V214 I241 V243I20-V216 HydrophobicContact CD1-CG1 3.98Å; I20-V216 HydrophobicContact CG1-CG1 4.24Å; I20-V216 HydrophobicContact CG2-CG1 4.48Å; I20-V216 HydrophobicContact CG2-CG2 4.31Å; V179-V216 HydrophobicContact CG1-CG2 3.61Å; H180-V216 PolarHBondContact O-N 3.43Å; V181-V216 CarbonylContact C-O 3.47Å; V181-V216 WeakPolarHBondContact CA-O 3.44Å; V181-V216 HydrophobicContact CG1-CG1 4.49Å; V181-V216 HydrophobicContact CG2-CB 4.33Å; C182-V216 PolarHBondContact N-O 2.87Å; V214-V216 HydrophobicContact CG1-CG2 4.35Å; V216-I241 CarbonylContact C-O 3.57Å; V216-I241 WeakPolarHBondContact CA-O 3.26Å; V216-I241 HydrophobicContact CG2-CB 4.42Å; V216-V243 HydrophobicContact CG1-CG2 3.86Å
217C90.6Very high85.8Confident0 Ų049 Ų490%026%0.259CS..EExtended strand (participates in β ladder)trans-86.7112.2177.2-62.60000110.2L184 I241 C242 V243L184-C217 HydrophobicContact CB-CB 4.32Å; L184-C217 HydrophobicContact CD2-CB 4.31Å; C217-I241 PolarHBondContact N-O 3.03Å; C217-C242 WeakPolarHBondContact O-CA 3.48Å; C217-V243 PolarHBondContact O-N 3.41Å
218R91.5Very high84.7Confident32 Ų3245.6 Ų45.612%0.12125%0.246CC..EExtended strand (participates in β ladder)trans-88.3127.6172.2-71.5-70.1-63.5140.6-0.7110.2I15 V181 C182 L184 V243 H244 D245I15-R218 WeakPolarHBondContact O-CG 3.44Å; I15-R218 PolarHBondContact O-NE 2.87Å; V181-R218 HydrophobicContact CG1-CG 3.6Å; C182-R218 PolarHBondContact O-N 3.49Å; L184-R218 PolarHBondContact N-O 2.72Å; R218-V243 WeakPolarHBondContact CA-O 3.45Å; R218-V243 VanDerWaalsContact NH1-C 3.32Å; R218-V243 PolarHBondContact NH1-O 3.04Å; R218-H244 VanDerWaalsContact NH1-C 3.28Å; R218-H244 PolarHBondContact NH1-O 3.49Å; R218-D245 IonicContact CZ-OD1 3.15Å; R218-D245 IonicContact NH1-OD1 2.74Å; R218-D245 IonicContact NH2-OD1 2.94Å; R218-D245 PolarHBondContact NH2-OD1 3.45Å
219T89Confident83.7Confident5 Ų551 Ų513%0.03127%0.271CS..  trans-139.3164.8-178.9-177.10000109L184 D186 T221 I223 V243 H244 D245L184-T219 PolarHBondContact O-OG1 3.14Å; D186-T219 PolarHBondContact OD1-OG1 3.36Å; T219-T221 WeakPolarHBondContact CG2-O 3.28Å; T219-I223 HydrophobicContact CG2-CD1 3.58Å; T219-I223 HydrophobicContact CG2-CG1 3.94Å; T219-V243 PolarHBondContact N-O 3.45Å; T219-V243 VanDerWaalsContact N-O 3.14Å; T219-H244 HydrophobicContact CG2-CB 3.84Å; T219-H244 CarbonylContact O-C 3.53Å; T219-H244 WeakPolarHBondContact O-CA 3.46Å; T219-D245 PolarHBondContact O-N 3.11Å
220R88.9Confident82.7Confident181 Ų18156.6 Ų56.668%0.68328%0.279SS*.SBendtrans-85.9-37.8173.9-49.6-171.7171.4160-8.1111.2D186 D245D186-R220 PolarHBondContact OD1-N 2.89Å; D186-R220 WeakPolarHBondContact OD2-CB 3.5Å; D186-R220 WeakPolarHBondContact OD2-CD 3.41Å; D186-R220 VanDerWaalsContact OD2-CG 3.23Å; D186-R220 WeakPolarHBondContact OD2-CG 3.25Å; R220-D245 PolarHBondContact O-N 3.01Å
221T86.9Confident81.5Confident73 Ų7356.3 Ų56.345%0.44828%0.278SS..SBendtrans-102.6157.3-172.454.10000113.1D186 T219 I223 H244D186-T221 PolarHBondContact OD1-N 3.09Å; D186-T221 PolarHBondContact OD1-OG1 3.24Å; T219-T221 WeakPolarHBondContact CG2-O 3.28Å; T221-I223 PolarHBondContact O-N 3.09Å; T221-H244 WeakPolarHBondContact O-CB 3.3Å
222I83.9Confident80.4Confident128 Ų12854 Ų5466%0.65627%0.269SS*.PPolyproline II helixtrans-66.1124.9173.8-62169.5000108.6
223I77.5Confident79.3Confident14 Ų1458.4 Ų58.47%0.07230%0.3CS..PPolyproline II helixtrans-86.4129.1178-66.8164.6000109.4L184 L193 T219 T221 F227 Q228 C242L184-I223 HydrophobicContact CD2-CD1 3.37Å; L184-I223 HydrophobicContact CD2-CG1 4.5Å; L184-I223 HydrophobicContact CG-CD1 4.35Å; L193-I223 HydrophobicContact CD1-CG1 4.36Å; L193-I223 HydrophobicContact CD1-CG2 4.41Å; T219-I223 HydrophobicContact CG2-CD1 3.58Å; T219-I223 HydrophobicContact CG2-CG1 3.94Å; T221-I223 PolarHBondContact O-N 3.09Å; I223-F227 HydrophobicContact CG2-CB 3.69Å; I223-F227 HydrophobicContact CG2-CD1 3.72Å; I223-F227 HydrophobicContact CG2-CG 4.09Å; I223-Q228 HydrophobicContact CG2-CG 4.31Å; I223-C242 HydrophobicContact CD1-CB 4.12Å
224P73Confident77.8Confident66 Ų6660 Ų6043%0.42932%0.317SS..PPolyproline II helixtrans-60.8143.9172.6-24.134.6000112.9H226 F227P224-H226 VanDerWaalsContact C-N 3.34Å; P224-H226 WeakPolarHBondContact CB-CE1 3.46Å; P224-H226 WeakPolarHBondContact CB-ND1 3.38Å; P224-H226 PolarHBondContact O-N 3.35Å; P224-F227 WeakPolarHBondContact O-CB 3.29Å; P224-F227 PolarHBondContact O-N 3.01Å
225G71.8Confident76.3Confident44 Ų4460.8 Ų60.845%0.45432%0.321SS..Hα-helixtrans-53.8-40.9-17600000115.2F227 Q228 E229G225-F227 PolarHBondContact O-N 3.43Å; G225-F227 VanDerWaalsContact O-N 3.08Å; G225-Q228 WeakPolarHBondContact O-CB 3.08Å; G225-Q228 PolarHBondContact O-N 3.24Å; G225-E229 PolarHBondContact O-N 3.41Å
226H68.9Low74.8Confident120 Ų12068.8 Ų68.856%0.55636%0.362SS*.Hα-helixtrans-59.6-23.7177.769.1-95.3000113.7P224 R230P224-H226 VanDerWaalsContact C-N 3.34Å; P224-H226 WeakPolarHBondContact CB-CE1 3.46Å; P224-H226 WeakPolarHBondContact CB-ND1 3.38Å; P224-H226 PolarHBondContact O-N 3.35Å; H226-R230 PolarHBondContact O-N 3.48Å
227F67.6Low73.3Confident16 Ų1670.2 Ų70.27%0.0737%0.368CS..Hα-helixtrans-82.9-31.1177.7-166.3-91.8000111.9L184 L193 L195 I223 P224 G225 E229 R230 V231L184-F227 HydrophobicContact CD2-CE1 4.14Å; L193-F227 HydrophobicContact CB-CD2 4.43Å; L193-F227 HydrophobicContact CB-CE1 3.73Å; L193-F227 HydrophobicContact CB-CE2 3.63Å; L193-F227 HydrophobicContact CB-CZ 3.22Å; L193-F227 HydrophobicContact CD1-CD1 3.45Å; L193-F227 VanDerWaalsContact CD1-CD1 3.45Å; L193-F227 HydrophobicContact CD1-CD2 3.98Å; L193-F227 HydrophobicContact CD1-CE1 3.43Å; L193-F227 VanDerWaalsContact CD1-CE1 3.43Å; L193-F227 HydrophobicContact CD1-CE2 3.98Å; L193-F227 HydrophobicContact CD1-CG 3.74Å; L193-F227 HydrophobicContact CD1-CZ 3.73Å; L193-F227 HydrophobicContact CG-CE1 4.21Å; L193-F227 HydrophobicContact CG-CE2 4.35Å; L193-F227 HydrophobicContact CG-CZ 4.1Å; L195-F227 HydrophobicContact CD2-CE1 3.79Å; L195-F227 HydrophobicContact CD2-CZ 3.59Å; L195-F227 HydrophobicContact CG-CZ 4.18Å; I223-F227 HydrophobicContact CG2-CB 3.69Å; I223-F227 HydrophobicContact CG2-CD1 3.72Å; I223-F227 HydrophobicContact CG2-CG 4.09Å; P224-F227 WeakPolarHBondContact O-CB 3.29Å; P224-F227 PolarHBondContact O-N 3.01Å; G225-F227 PolarHBondContact O-N 3.43Å; G225-F227 VanDerWaalsContact O-N 3.08Å; F227-E229 PolarHBondContact O-N 3.02Å; F227-R230 WeakPolarHBondContact O-CB 3.29Å; F227-R230 PolarHBondContact O-N 2.94Å; F227-R230 VanDerWaalsContact O-N 3.07Å; F227-V231 HydrophobicContact CD1-CG2 3.57Å; F227-V231 HydrophobicContact CE1-CG2 3.32Å; F227-V231 HydrophobicContact CZ-CG2 4.21Å; F227-V231 VanDerWaalsContact O-CG2 3.31Å; F227-V231 WeakPolarHBondContact O-CG2 3.28Å; F227-V231 PolarHBondContact O-N 3.31Å
228Q68.2Low71.9Confident70 Ų7078.8 Ų78.833%0.32741%0.408SS..Hα-helixtrans-58.9-40.5172.7-62.8-175.9-22.300110.5I223 G225 R230 V231 S232I223-Q228 HydrophobicContact CG2-CG 4.31Å; G225-Q228 WeakPolarHBondContact O-CB 3.08Å; G225-Q228 PolarHBondContact O-N 3.24Å; Q228-R230 PolarHBondContact O-N 3.23Å; Q228-V231 PolarHBondContact O-N 2.99Å; Q228-S232 WeakPolarHBondContact O-CB 3.34Å; Q228-S232 PolarHBondContact O-N 2.98Å; Q228-S232 PolarHBondContact O-OG 3.29Å
229E69.7Low71.5Confident142 Ų14280 Ų8066%0.66442%0.416SS*.Hα-helixtrans-61-42.6173-67.2176.9-177.900112G225 F227 S232 S233G225-E229 PolarHBondContact O-N 3.41Å; F227-E229 PolarHBondContact O-N 3.02Å; E229-S232 CarbonylContact O-C 3.59Å; E229-S232 PolarHBondContact O-N 3.47Å; E229-S233 VanDerWaalsContact O-CB 3.29Å; E229-S233 WeakPolarHBondContact O-CB 3.26Å; E229-S233 PolarHBondContact O-N 2.93Å; E229-S233 PolarHBondContact O-OG 2.96Å
230R68.2Low71.4Confident158 Ų15880.9 Ų80.960%0.59642%0.421SS*.Hα-helixtrans-62.3-45.7175.7-80.8-175.6164.4-178.6-2.8112.8H226 F227 Q228 S232 S233 A234H226-R230 PolarHBondContact O-N 3.48Å; F227-R230 WeakPolarHBondContact O-CB 3.29Å; F227-R230 PolarHBondContact O-N 2.94Å; F227-R230 VanDerWaalsContact O-N 3.07Å; Q228-R230 PolarHBondContact O-N 3.23Å; R230-S232 VanDerWaalsContact C-N 3.28Å; R230-S232 PolarHBondContact O-N 3.36Å; R230-S233 WeakPolarHBondContact CA-OG 3.13Å; R230-S233 PolarHBondContact O-N 3.41Å; R230-S233 PolarHBondContact O-OG 2.85Å; R230-A234 WeakPolarHBondContact O-CB 3.19Å; R230-A234 PolarHBondContact O-N 2.87Å
231V65.3Low71.4Confident0 Ų072.4 Ų72.40%039%0.389CS..Hα-helixtrans-60.5-44.4176.8-176.20000109.4L195 I198 F227 Q228 A234 M235 V240L195-V231 HydrophobicContact CD2-CG2 3.7Å; I198-V231 HydrophobicContact CD1-CG1 4.41Å; F227-V231 HydrophobicContact CD1-CG2 3.57Å; F227-V231 HydrophobicContact CE1-CG2 3.32Å; F227-V231 HydrophobicContact CZ-CG2 4.21Å; F227-V231 VanDerWaalsContact O-CG2 3.31Å; F227-V231 WeakPolarHBondContact O-CG2 3.28Å; F227-V231 PolarHBondContact O-N 3.31Å; Q228-V231 PolarHBondContact O-N 2.99Å; V231-A234 PolarHBondContact O-N 3.14Å; V231-M235 HydrophobicContact CG1-CE 3.33Å; V231-M235 HydrophobicContact CG1-SD 3.9Å; V231-M235 WeakPolarHBondContact O-CB 3.27Å; V231-M235 WeakPolarHBondContact O-CG 3.38Å; V231-M235 PolarHBondContact O-N 3.41Å; V231-V240 HydrophobicContact CB-CG1 4.31Å; V231-V240 HydrophobicContact CG1-CB 4.48Å; V231-V240 HydrophobicContact CG1-CG1 3.64Å; V231-V240 HydrophobicContact CG1-CG2 4.22Å
232S68.2Low71.5Confident47 Ų4769.4 Ų69.433%0.32937%0.371SS..Hα-helixtrans-66.3-40.8178.7-540000111.8Q228 E229 R230 M235Q228-S232 WeakPolarHBondContact O-CB 3.34Å; Q228-S232 PolarHBondContact O-N 2.98Å; Q228-S232 PolarHBondContact O-OG 3.29Å; E229-S232 CarbonylContact O-C 3.59Å; E229-S232 PolarHBondContact O-N 3.47Å; R230-S232 VanDerWaalsContact C-N 3.28Å; R230-S232 PolarHBondContact O-N 3.36Å; S232-M235 PolarHBondContact O-N 3.04Å
233S67.3Low72Confident97 Ų9763.3 Ų63.368%0.67834%0.34SS*.Hα-helixtrans-72.1-30.6178.271.70000113.3E229 R230 M235E229-S233 VanDerWaalsContact O-CB 3.29Å; E229-S233 WeakPolarHBondContact O-CB 3.26Å; E229-S233 PolarHBondContact O-N 2.93Å; E229-S233 PolarHBondContact O-OG 2.96Å; R230-S233 WeakPolarHBondContact CA-OG 3.13Å; R230-S233 PolarHBondContact O-N 3.41Å; R230-S233 PolarHBondContact O-OG 2.85Å; S233-M235 PolarHBondContact O-N 3.5Å
234A59.6Low72.6Confident65 Ų6565 Ų6554%0.53735%0.347SS..THydrogen-bonded Turntrans-77.7-9.9176.800000111.9L195 R230 V231L195-A234 HydrophobicContact CD1-CB 3.96Å; R230-A234 WeakPolarHBondContact O-CB 3.19Å; R230-A234 PolarHBondContact O-N 2.87Å; V231-A234 PolarHBondContact O-N 3.14Å
235M62.6Low73.6Confident19 Ų1965.6 Ų65.69%0.09435%0.347CS..  trans-112.2138.8-178.9-69.4-180-164.800110.3I198 L202 V215 V231 S232 S233 F237 V240I198-M235 HydrophobicContact CB-CE 3.93Å; I198-M235 HydrophobicContact CD1-CE 4.17Å; I198-M235 HydrophobicContact CG2-CE 3.26Å; I198-M235 HydrophobicContact CG2-SD 4.38Å; L202-M235 HydrophobicContact CD1-CE 3.9Å; L202-M235 HydrophobicContact CD1-CG 4.08Å; L202-M235 HydrophobicContact CD1-SD 3.73Å; V215-M235 HydrophobicContact CG1-SD 4.46Å; V231-M235 HydrophobicContact CG1-CE 3.33Å; V231-M235 HydrophobicContact CG1-SD 3.9Å; V231-M235 WeakPolarHBondContact O-CB 3.27Å; V231-M235 WeakPolarHBondContact O-CG 3.38Å; V231-M235 PolarHBondContact O-N 3.41Å; S232-M235 PolarHBondContact O-N 3.04Å; S233-M235 PolarHBondContact O-N 3.5Å; M235-F237 HydrophobicContact CB-CD2 4.15Å; M235-F237 PolarHBondContact O-N 3.04Å; M235-V240 HydrophobicContact SD-CG2 3.79Å
236I58.8Low74.5Confident167 Ų16765 Ų6586%0.85633%0.334SS*.SBendtrans-71.4-14.7172.6-57.8168.5000110.5
237F62.5Low75.4Confident31 Ų3165 Ų6514%0.13635%0.345CS..SBendtrans-80.3140.5-172.3-55-67.7000112L202 M206 N211 P212 V215 M235 Q239L202-F237 HydrophobicContact CB-CE2 4.38Å; L202-F237 HydrophobicContact CD1-CD2 4.18Å; L202-F237 HydrophobicContact CD1-CE2 3.99Å; L202-F237 HydrophobicContact CD2-CD2 4.34Å; L202-F237 HydrophobicContact CD2-CE2 4.03Å; L202-F237 HydrophobicContact CG-CE2 4.37Å; M206-F237 HydrophobicContact CE-CE2 4.36Å; M206-F237 HydrophobicContact CE-CZ 4.08Å; M206-F237 HydrophobicContact CG-CZ 4.23Å; M206-F237 HydrophobicContact SD-CE1 4.48Å; M206-F237 HydrophobicContact SD-CE2 4.44Å; M206-F237 HydrophobicContact SD-CZ 3.61Å; N211-F237 HydrophobicContact CB-CE1 4.37Å; P212-F237 VanDerWaalsContact CD-CE1 3.43Å; P212-F237 HydrophobicContact CG-CD1 3.87Å; P212-F237 HydrophobicContact CG-CD2 4.14Å; P212-F237 HydrophobicContact CG-CE1 3.57Å; P212-F237 HydrophobicContact CG-CE2 3.86Å; P212-F237 HydrophobicContact CG-CG 4.14Å; P212-F237 HydrophobicContact CG-CZ 3.55Å; P212-F237 WeakPolarHBondContact O-CD1 3.5Å; V215-F237 HydrophobicContact CG2-CD2 4.41Å; M235-F237 HydrophobicContact CB-CD2 4.15Å; M235-F237 PolarHBondContact O-N 3.04Å; F237-Q239 VanDerWaalsContact C-N 3.27Å; F237-Q239 PolarHBondContact O-N 3.06Å
238Q61.4Low76.4Confident180 Ų18064.8 Ų64.884%0.84134%0.344SS*.SBendtrans-68.4-22.4-169.7-72.3-177.3-2200113.6
239Q82.1Confident77.4Confident58 Ų5864.7 Ų64.727%0.27135%0.349SS..  trans-148117.5-165.7-63.3170.18.100113.9V215 F237 I264V215-Q239 PolarHBondContact N-O 3.49Å; F237-Q239 VanDerWaalsContact C-N 3.27Å; F237-Q239 PolarHBondContact O-N 3.06Å; Q239-I264 HydrophobicContact CB-CD1 4.29Å; Q239-I264 VanDerWaalsContact CD-CG1 3.46Å; Q239-I264 HydrophobicContact CG-CD1 4.11Å; Q239-I264 HydrophobicContact CG-CG1 4.46Å
240V86.1Confident78.4Confident23 Ų2359 Ų5914%0.13932%0.321CS..EExtended strand (participates in β ladder)trans-117.1130.1177-179.60000109.1V215 V231 M235V215-V240 HydrophobicContact CB-CG2 4.5Å; V215-V240 CarbonylContact O-C 3.48Å; V215-V240 WeakPolarHBondContact O-CA 3.15Å; V231-V240 HydrophobicContact CB-CG1 4.31Å; V231-V240 HydrophobicContact CG1-CB 4.48Å; V231-V240 HydrophobicContact CG1-CG1 3.64Å; V231-V240 HydrophobicContact CG1-CG2 4.22Å; M235-V240 HydrophobicContact SD-CG2 3.79Å
241I90Very high79.6Confident3 Ų354.9 Ų54.92%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-120131.1178.8-62.4-179.1000108.7V214 V215 V216 C217 V243 L256 Q259 L261V214-I241 HydrophobicContact CG1-CD1 3.95Å; V214-I241 HydrophobicContact CG1-CG1 4.33Å; V215-I241 PolarHBondContact O-N 2.9Å; V216-I241 CarbonylContact C-O 3.57Å; V216-I241 WeakPolarHBondContact CA-O 3.26Å; V216-I241 HydrophobicContact CG2-CB 4.42Å; C217-I241 PolarHBondContact N-O 3.03Å; I241-V243 HydrophobicContact CG2-CG2 4.15Å; I241-L256 HydrophobicContact CG2-CD2 3.7Å; I241-Q259 HydrophobicContact CG2-CB 4.2Å; I241-L261 HydrophobicContact CD1-CB 3.67Å; I241-L261 HydrophobicContact CD1-CD1 3.59Å; I241-L261 HydrophobicContact CD1-CD2 3.95Å; I241-L261 HydrophobicContact CD1-CG 3.91Å
242C89.9Confident81Confident10 Ų1055.1 Ų55.17%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-105.5127.1179.4-67.60000110.6C217 I223 Q259C217-C242 WeakPolarHBondContact O-CA 3.48Å; I223-C242 HydrophobicContact CD1-CB 4.12Å; C242-Q259 PolarHBondContact O-NE2 2.86Å; C242-Q259 PolarHBondContact O-OE1 2.83Å
243V92.5Very high82.2Confident0 Ų052.9 Ų52.90%029%0.293CS..EExtended strand (participates in β ladder)trans-126.2112177.6-172.10000108.1I20 V216 C217 R218 T219 I241 V252 M255 L256I20-V243 HydrophobicContact CD1-CG1 4.43Å; I20-V243 HydrophobicContact CD1-CG2 4.18Å; V216-V243 HydrophobicContact CG1-CG2 3.86Å; C217-V243 PolarHBondContact O-N 3.41Å; R218-V243 WeakPolarHBondContact CA-O 3.45Å; R218-V243 VanDerWaalsContact NH1-C 3.32Å; R218-V243 PolarHBondContact NH1-O 3.04Å; T219-V243 PolarHBondContact N-O 3.45Å; T219-V243 VanDerWaalsContact N-O 3.14Å; I241-V243 HydrophobicContact CG2-CG2 4.15Å; V243-V252 HydrophobicContact CG1-CG1 4.15Å; V243-M255 HydrophobicContact CB-CE 4.42Å; V243-M255 HydrophobicContact CG1-CE 3.84Å; V243-M255 HydrophobicContact CG1-SD 4.31Å; V243-L256 HydrophobicContact CG2-CD2 3.56Å; V243-L256 HydrophobicContact CG2-CG 4.46Å
244H91.8Very high83.4Confident49 Ų4949.3 Ų49.323%0.22727%0.272CS..  trans-83.8168.5176.259.8-88.8000112.2R218 T219 T221 M255R218-H244 VanDerWaalsContact NH1-C 3.28Å; R218-H244 PolarHBondContact NH1-O 3.49Å; T219-H244 HydrophobicContact CG2-CB 3.84Å; T219-H244 CarbonylContact O-C 3.53Å; T219-H244 WeakPolarHBondContact O-CA 3.46Å; T221-H244 WeakPolarHBondContact O-CB 3.3Å; H244-M255 WeakPolarHBondContact CE1-CE 3.33Å; H244-M255 WeakPolarHBondContact ND1-CE 3.26Å
245D92.6Very high85Confident79 Ų7947.4 Ų47.442%0.42225%0.252SS..  trans-69.2132.5175-75.4-18000110R218 T219 R220R218-D245 IonicContact CZ-OD1 3.15Å; R218-D245 IonicContact NH1-OD1 2.74Å; R218-D245 IonicContact NH2-OD1 2.94Å; R218-D245 PolarHBondContact NH2-OD1 3.45Å; T219-D245 PolarHBondContact O-N 3.11Å; R220-D245 PolarHBondContact O-N 3.01Å
246V91.7Very high86.6Confident32 Ų3246.5 Ų46.519%0.19425%0.248CC..  trans-121.5146.6-179.1-76.60000109.9N248 K251 V252 M255V246-N248 WeakPolarHBondContact CG2-O 3.49Å; V246-N248 PolarHBondContact O-N 3.02Å; V246-K251 HydrophobicContact CB-CB 4.34Å; V246-K251 HydrophobicContact CB-CD 4.48Å; V246-K251 HydrophobicContact CG1-CB 4.27Å; V246-K251 HydrophobicContact CG1-CD 4.39Å; V246-K251 HydrophobicContact CG2-CB 4.34Å; V246-V252 HydrophobicContact CG2-CG2 3.75Å; V246-M255 HydrophobicContact CG1-CE 4.44Å; V246-M255 HydrophobicContact CG1-SD 3.48Å; V246-M255 WeakPolarHBondContact CG1-SD 3.37Å
247P87Confident88.2Confident120 Ų12039.5 Ų39.578%0.77922%0.215SC*.SBendtrans-60.6-33.9179.4-22.633.1000112.7
248N88.5Confident89.6Confident10 Ų1042.6 Ų42.65%0.05324%0.24CC..SBendtrans-120.8138.8175.475.140.1000111.7V246 Y250 K251 A288 I291 E292V246-N248 WeakPolarHBondContact CG2-O 3.49Å; V246-N248 PolarHBondContact O-N 3.02Å; N248-Y250 PolarHBondContact O-N 3.28Å; N248-K251 PolarHBondContact O-N 2.93Å; N248-K251 WeakPolarHBondContact OD1-CB 3.46Å; N248-K251 WeakPolarHBondContact OD1-CG 3.31Å; N248-K251 PolarHBondContact OD1-N 3.08Å; N248-A288 PolarHBondContact ND2-O 3.49Å; N248-I291 HydrophobicContact CB-CG2 3.79Å; N248-E292 WeakPolarHBondContact ND2-CG 3.3Å; N248-E292 PolarHBondContact ND2-OE1 3.33Å; N248-E292 VanDerWaalsContact ND2-OE1 3.15Å
249V90Very high91.1Very high69 Ų6936.6 Ų36.642%0.41821%0.212SC..THydrogen-bonded Turntrans-70.2-17.3179.9-720000113T19 F78 K251 V252T19-V249 HydrophobicContact CG2-CB 4.37Å; T19-V249 HydrophobicContact CG2-CG1 4.45Å; F78-V249 HydrophobicContact CE2-CG2 4.36Å; F78-V249 HydrophobicContact CZ-CB 4.17Å; F78-V249 HydrophobicContact CZ-CG2 3.72Å; V249-K251 VanDerWaalsContact C-N 3.29Å; V249-K251 PolarHBondContact O-N 3Å; V249-V252 WeakPolarHBondContact O-CB 3.48Å; V249-V252 WeakPolarHBondContact O-CG2 3.45Å; V249-V252 PolarHBondContact O-N 3.35Å
250Y90.1Very high91.5Very high21 Ų2134.8 Ų34.88%0.08221%0.209CC..THydrogen-bonded Turntrans-75-14.3-178.8-65.9-71.2000114.1F78 N248 V252 P253 W284 L287 I291 H322F78-Y250 HydrophobicContact CD1-CD1 4.4Å; F78-Y250 HydrophobicContact CD1-CE1 4.39Å; F78-Y250 HydrophobicContact CD2-CE1 4.22Å; F78-Y250 AromaticContact CE1-CD1 3.72Å; F78-Y250 HydrophobicContact CE1-CD1 3.72Å; F78-Y250 AromaticContact CE1-CE1 3.93Å; F78-Y250 HydrophobicContact CE1-CE1 3.93Å; F78-Y250 HydrophobicContact CE2-CD1 4.3Å; F78-Y250 AromaticContact CE2-CE1 3.73Å; F78-Y250 HydrophobicContact CE2-CE1 3.73Å; F78-Y250 AromaticContact CZ-CD1 3.66Å; F78-Y250 HydrophobicContact CZ-CD1 3.66Å; F78-Y250 AromaticContact CZ-CE1 3.57Å; F78-Y250 HydrophobicContact CZ-CE1 3.57Å; F78-Y250 HydrophobicContact CZ-CG 4.37Å; N248-Y250 PolarHBondContact O-N 3.28Å; Y250-V252 VanDerWaalsContact C-N 3.34Å; Y250-P253 WeakPolarHBondContact O-CD 3.45Å; Y250-W284 HydrophobicContact CD1-CE3 4.04Å; Y250-W284 HydrophobicContact CD1-CH2 4.22Å; Y250-W284 AromaticContact CD1-CZ3 3.31Å; Y250-W284 HydrophobicContact CD1-CZ3 3.31Å; Y250-W284 HydrophobicContact CE1-CH2 4.18Å; Y250-W284 AromaticContact CE1-CZ3 3.62Å; Y250-W284 HydrophobicContact CE1-CZ3 3.62Å; Y250-W284 HydrophobicContact CG-CZ3 4.43Å; Y250-L287 HydrophobicContact CD1-CD2 4.14Å; Y250-L287 HydrophobicContact CE1-CD2 4.21Å; Y250-I291 HydrophobicContact CD2-CD1 3.17Å; Y250-I291 HydrophobicContact CE2-CD1 3.64Å; Y250-I291 HydrophobicContact CG-CD1 3.9Å; Y250-H322 PolarHBondContact OH-CD2 3.16Å; Y250-H322 PolarHBondContact OH-NE2 3.09Å
251K92.9Very high91.9Very high72 Ų7233.7 Ų33.731%0.31320%0.202SC..Hα-helixtrans-72.5-24.6168-85.9173.7175.5-179.60113.9V246 N248 V249 G254 M255 A288 E292V246-K251 HydrophobicContact CB-CB 4.34Å; V246-K251 HydrophobicContact CB-CD 4.48Å; V246-K251 HydrophobicContact CG1-CB 4.27Å; V246-K251 HydrophobicContact CG1-CD 4.39Å; V246-K251 HydrophobicContact CG2-CB 4.34Å; N248-K251 PolarHBondContact O-N 2.93Å; N248-K251 WeakPolarHBondContact OD1-CB 3.46Å; N248-K251 WeakPolarHBondContact OD1-CG 3.31Å; N248-K251 PolarHBondContact OD1-N 3.08Å; V249-K251 VanDerWaalsContact C-N 3.29Å; V249-K251 PolarHBondContact O-N 3Å; K251-G254 PolarHBondContact O-N 2.84Å; K251-M255 WeakPolarHBondContact O-CG 3.45Å; K251-M255 PolarHBondContact O-N 3.3Å; K251-A288 HydrophobicContact CG-CB 4.08Å; K251-E292 WeakPolarHBondContact CE-OE1 3.45Å; K251-E292 VanDerWaalsContact CE-OE2 3.26Å; K251-E292 WeakPolarHBondContact CE-OE2 3.4Å; K251-E292 IonicContact NZ-OE1 3.81Å; K251-E292 PolarHBondContact NZ-OE1 3.45Å; K251-E292 IonicContact NZ-OE2 2.84Å; K251-E292 PolarHBondContact NZ-OE2 3.06Å
252V94.8Very high92.1Very high6 Ų633.7 Ų33.74%0.03620%0.203CC..Hα-helixtrans-59.7-45.2-173.2-178.80000112.5T19 I20 S23 V243 V246 V249 Y250 G254 M255 L256T19-V252 HydrophobicContact CG2-CB 4.32Å; T19-V252 HydrophobicContact CG2-CG1 4.35Å; T19-V252 HydrophobicContact CG2-CG2 4.14Å; I20-V252 HydrophobicContact CD1-CG1 3.93Å; S23-V252 WeakPolarHBondContact OG-CG1 3.45Å; V243-V252 HydrophobicContact CG1-CG1 4.15Å; V246-V252 HydrophobicContact CG2-CG2 3.75Å; V249-V252 WeakPolarHBondContact O-CB 3.48Å; V249-V252 WeakPolarHBondContact O-CG2 3.45Å; V249-V252 PolarHBondContact O-N 3.35Å; Y250-V252 VanDerWaalsContact C-N 3.34Å; V252-G254 VanDerWaalsContact C-N 3.32Å; V252-G254 PolarHBondContact O-N 2.75Å; V252-M255 PolarHBondContact O-N 2.82Å; V252-L256 HydrophobicContact CG1-CD1 4.26Å; V252-L256 HydrophobicContact CG1-CG 4.37Å; V252-L256 WeakPolarHBondContact O-CG 3.35Å; V252-L256 PolarHBondContact O-N 2.87Å
253P94.1Very high92.3Very high0 Ų036.4 Ų36.40%022%0.217CC..Hα-helixtrans-54-45.4171.9-25.733000113.3S23 V26 I27 Y250 M255 L256 A257S23-P253 WeakPolarHBondContact OG-CD 3.29Å; V26-P253 HydrophobicContact CB-CB 4.25Å; V26-P253 HydrophobicContact CB-CG 4.22Å; V26-P253 HydrophobicContact CG1-CB 3.82Å; V26-P253 HydrophobicContact CG1-CG 4.04Å; I27-P253 VanDerWaalsContact CD1-O 3.25Å; I27-P253 WeakPolarHBondContact CD1-O 3.43Å; I27-P253 HydrophobicContact CG1-CB 4.19Å; I27-P253 WeakPolarHBondContact CG1-O 3.33Å; Y250-P253 WeakPolarHBondContact O-CD 3.45Å; P253-M255 PolarHBondContact O-N 3.3Å; P253-L256 PolarHBondContact O-N 3.1Å; P253-A257 WeakPolarHBondContact O-CB 3.38Å; P253-A257 PolarHBondContact O-N 3.06Å
254G92.9Very high92.3Very high22 Ų2237.7 Ų37.723%0.22722%0.223CC..Hα-helixtrans-62.9-40.5177.900000113K251 V252 A257 S258K251-G254 PolarHBondContact O-N 2.84Å; V252-G254 VanDerWaalsContact C-N 3.32Å; V252-G254 PolarHBondContact O-N 2.75Å; G254-A257 PolarHBondContact O-N 3.36Å; G254-S258 WeakPolarHBondContact O-CB 3.49Å; G254-S258 PolarHBondContact O-N 3.02Å; G254-S258 PolarHBondContact O-OG 3.43Å
255M93.5Very high92.4Very high24 Ų2435.4 Ų35.412%0.11821%0.213CC..Hα-helixtrans-64.9-42.1177.2-68.7174.365.100112.7V243 H244 V246 K251 V252 P253 S258 Q259V243-M255 HydrophobicContact CB-CE 4.42Å; V243-M255 HydrophobicContact CG1-CE 3.84Å; V243-M255 HydrophobicContact CG1-SD 4.31Å; H244-M255 WeakPolarHBondContact CE1-CE 3.33Å; H244-M255 WeakPolarHBondContact ND1-CE 3.26Å; V246-M255 HydrophobicContact CG1-CE 4.44Å; V246-M255 HydrophobicContact CG1-SD 3.48Å; V246-M255 WeakPolarHBondContact CG1-SD 3.37Å; K251-M255 WeakPolarHBondContact O-CG 3.45Å; K251-M255 PolarHBondContact O-N 3.3Å; V252-M255 PolarHBondContact O-N 2.82Å; P253-M255 PolarHBondContact O-N 3.3Å; M255-S258 PolarHBondContact O-OG 3.13Å; M255-Q259 PolarHBondContact O-N 2.79Å; M255-Q259 PolarHBondContact O-NE2 3.38Å
256L94.9Very high92.5Very high0 Ų034.3 Ų34.30%021%0.205CC..Hα-helixtrans-68.2-39.8176.7-69.9-179.4000111.4I20 I24 I27 I241 V243 V252 P253 Q259 L261I20-L256 HydrophobicContact CD1-CD1 4.3Å; I20-L256 HydrophobicContact CD1-CD2 4.44Å; I24-L256 HydrophobicContact CG1-CD1 4.47Å; I27-L256 HydrophobicContact CD1-CB 3.34Å; I27-L256 HydrophobicContact CD1-CD1 4.1Å; I27-L256 HydrophobicContact CD1-CG 4.36Å; I241-L256 HydrophobicContact CG2-CD2 3.7Å; V243-L256 HydrophobicContact CG2-CD2 3.56Å; V243-L256 HydrophobicContact CG2-CG 4.46Å; V252-L256 HydrophobicContact CG1-CD1 4.26Å; V252-L256 HydrophobicContact CG1-CG 4.37Å; V252-L256 WeakPolarHBondContact O-CG 3.35Å; V252-L256 PolarHBondContact O-N 2.87Å; P253-L256 PolarHBondContact O-N 3.1Å; L256-Q259 PolarHBondContact O-N 3.33Å; L256-L261 HydrophobicContact CB-CB 4.46Å; L256-L261 HydrophobicContact CB-CD2 4.12Å; L256-L261 HydrophobicContact CD1-CD2 4.08Å; L256-L261 HydrophobicContact CD2-CD2 3.97Å; L256-L261 HydrophobicContact CG-CD2 4.29Å; L256-L261 WeakPolarHBondContact O-CB 3.46Å; L256-L261 PolarHBondContact O-N 3.4Å
257A93.3Very high92.6Very high20 Ų2040.1 Ų40.117%0.16523%0.228CC..Hα-helixtrans-63.5-44.1175.400000111.5I27 P253 G254 Q259 G260 L281I27-A257 HydrophobicContact CD1-CB 4.39Å; I27-A257 HydrophobicContact CG1-CB 4.29Å; I27-A257 HydrophobicContact CG2-CB 4.47Å; P253-A257 WeakPolarHBondContact O-CB 3.38Å; P253-A257 PolarHBondContact O-N 3.06Å; G254-A257 PolarHBondContact O-N 3.36Å; A257-Q259 PolarHBondContact O-N 3.15Å; A257-G260 PolarHBondContact O-N 3.48Å; A257-L281 HydrophobicContact CB-CD1 4.2Å; A257-L281 HydrophobicContact CB-CD2 3.83Å
258S91.8Very high92.9Very high97 Ų9737.9 Ų37.968%0.67820%0.204SC*.Hα-helixtrans-62.6-22.8178.570.80000114G254 M255G254-S258 WeakPolarHBondContact O-CB 3.49Å; G254-S258 PolarHBondContact O-N 3.02Å; G254-S258 PolarHBondContact O-OG 3.43Å; M255-S258 PolarHBondContact O-OG 3.13Å
259Q92.3Very high93.2Very high54 Ų5437.4 Ų37.425%0.25220%0.201SC..THydrogen-bonded Turntrans-93.69.7175.7-72.9175.784.100113I241 C242 M255 L256 A257 L261I241-Q259 HydrophobicContact CG2-CB 4.2Å; C242-Q259 PolarHBondContact O-NE2 2.86Å; C242-Q259 PolarHBondContact O-OE1 2.83Å; M255-Q259 PolarHBondContact O-N 2.79Å; M255-Q259 PolarHBondContact O-NE2 3.38Å; L256-Q259 PolarHBondContact O-N 3.33Å; A257-Q259 PolarHBondContact O-N 3.15Å; Q259-L261 PolarHBondContact O-N 3.02Å
260G91.4Very high93.4Very high19 Ų1939.8 Ų39.820%0.19621%0.207CC..THydrogen-bonded Turntrans75.318.2173.600000115.1A257 A262 D263 I264A257-G260 PolarHBondContact O-N 3.48Å; G260-A262 PolarHBondContact O-N 3.27Å; G260-D263 PolarHBondContact O-N 2.8Å; G260-I264 WeakPolarHBondContact O-CB 3.5Å; G260-I264 VanDerWaalsContact O-CG1 3.28Å; G260-I264 WeakPolarHBondContact O-CG1 3.32Å; G260-I264 PolarHBondContact O-N 3.45Å
261L94.4Very high93.6Very high1 Ų139.1 Ų39.11%0.00521%0.205CC..Hα-helixtrans-59.6-34.3-179.7-176.250.8000112.6I24 V214 I241 L256 Q259 I264 L265I24-L261 HydrophobicContact CD1-CD2 4.36Å; I24-L261 HydrophobicContact CG1-CD2 3.79Å; V214-L261 HydrophobicContact CG1-CD1 4.09Å; V214-L261 HydrophobicContact CG2-CD1 4.34Å; I241-L261 HydrophobicContact CD1-CB 3.67Å; I241-L261 HydrophobicContact CD1-CD1 3.59Å; I241-L261 HydrophobicContact CD1-CD2 3.95Å; I241-L261 HydrophobicContact CD1-CG 3.91Å; L256-L261 HydrophobicContact CB-CB 4.46Å; L256-L261 HydrophobicContact CB-CD2 4.12Å; L256-L261 HydrophobicContact CD1-CD2 4.08Å; L256-L261 HydrophobicContact CD2-CD2 3.97Å; L256-L261 HydrophobicContact CG-CD2 4.29Å; L256-L261 WeakPolarHBondContact O-CB 3.46Å; L256-L261 PolarHBondContact O-N 3.4Å; Q259-L261 PolarHBondContact O-N 3.02Å; L261-I264 HydrophobicContact CD1-CB 4.48Å; L261-I264 HydrophobicContact CD1-CG2 4.05Å; L261-I264 WeakPolarHBondContact O-CB 3.3Å; L261-I264 PolarHBondContact O-N 3.37Å; L261-L265 HydrophobicContact CD1-CD1 4.09Å; L261-L265 HydrophobicContact CD1-CD2 4.39Å; L261-L265 HydrophobicContact CD1-CG 3.95Å; L261-L265 HydrophobicContact CG-CD1 4.03Å; L261-L265 HydrophobicContact CG-CG 4.36Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.24Å; L261-L265 PolarHBondContact O-N 3.39Å
262A93.8Very high93.5Very high3 Ų344.6 Ų44.63%0.02523%0.232CC..Hα-helixtrans-59.5-51.4177.400000111.4I27 G260 I264 L265 H266 Y274I27-A262 HydrophobicContact CG2-CB 3.44Å; I27-A262 VanDerWaalsContact CG2-CB 3.44Å; G260-A262 PolarHBondContact O-N 3.27Å; A262-I264 VanDerWaalsContact C-N 3.31Å; A262-I264 PolarHBondContact O-N 3.08Å; A262-L265 PolarHBondContact O-N 3.28Å; A262-H266 WeakPolarHBondContact O-CB 3.36Å; A262-H266 PolarHBondContact O-N 3.05Å; A262-Y274 HydrophobicContact CB-CE2 4.09Å; A262-Y274 VanDerWaalsContact CB-OH 3.26Å; A262-Y274 WeakPolarHBondContact CB-OH 3.43Å
263D93.1Very high93.2Very high67 Ų6749.5 Ų49.536%0.35825%0.253SS..Hα-helixtrans-65.9-37.2-178.3-61.2-40.1000111.8G260 H266 K267 Y274G260-D263 PolarHBondContact O-N 2.8Å; D263-H266 PolarHBondContact O-N 3.05Å; D263-K267 WeakPolarHBondContact O-CB 3.44Å; D263-K267 VanDerWaalsContact O-CG 3.26Å; D263-K267 WeakPolarHBondContact O-CG 3.32Å; D263-K267 PolarHBondContact O-N 3.26Å; D263-Y274 PolarHBondContact N-OH 2.86Å; D263-Y274 PolarHBondContact OD1-OH 3.39Å
264I92.7Very high93.2Very high26 Ų2650.5 Ų50.513%0.13326%0.257CS..Hα-helixtrans-55.1-53.4172.1-78.5169.2000110.6V214 Q239 G260 L261 A262 K267 R268V214-I264 HydrophobicContact CG2-CG2 3.77Å; Q239-I264 HydrophobicContact CB-CD1 4.29Å; Q239-I264 VanDerWaalsContact CD-CG1 3.46Å; Q239-I264 HydrophobicContact CG-CD1 4.11Å; Q239-I264 HydrophobicContact CG-CG1 4.46Å; G260-I264 WeakPolarHBondContact O-CB 3.5Å; G260-I264 VanDerWaalsContact O-CG1 3.28Å; G260-I264 WeakPolarHBondContact O-CG1 3.32Å; G260-I264 PolarHBondContact O-N 3.45Å; L261-I264 HydrophobicContact CD1-CB 4.48Å; L261-I264 HydrophobicContact CD1-CG2 4.05Å; L261-I264 WeakPolarHBondContact O-CB 3.3Å; L261-I264 PolarHBondContact O-N 3.37Å; A262-I264 VanDerWaalsContact C-N 3.31Å; A262-I264 PolarHBondContact O-N 3.08Å; I264-K267 PolarHBondContact O-N 3.2Å; I264-R268 WeakPolarHBondContact O-CB 3.22Å; I264-R268 PolarHBondContact O-N 2.74Å
265L95.4Very high93.1Very high2 Ų251.8 Ų51.81%0.0126%0.262CS..Hα-helixtrans-67.9-41-177.1-67.7173000110.6I5 I24 L28 V177 L261 A262 R268 L269I5-L265 HydrophobicContact CD1-CD1 3.91Å; I5-L265 HydrophobicContact CD1-CD2 3.97Å; I5-L265 HydrophobicContact CD1-CG 4.44Å; I5-L265 HydrophobicContact CG1-CD2 4.48Å; I24-L265 HydrophobicContact CG2-CD1 3.68Å; L28-L265 HydrophobicContact CD2-CB 4.46Å; L28-L265 HydrophobicContact CD2-CD1 4.37Å; V177-L265 HydrophobicContact CB-CD2 4.48Å; V177-L265 HydrophobicContact CG1-CD2 3.73Å; L261-L265 HydrophobicContact CD1-CD1 4.09Å; L261-L265 HydrophobicContact CD1-CD2 4.39Å; L261-L265 HydrophobicContact CD1-CG 3.95Å; L261-L265 HydrophobicContact CG-CD1 4.03Å; L261-L265 HydrophobicContact CG-CG 4.36Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.24Å; L261-L265 PolarHBondContact O-N 3.39Å; A262-L265 PolarHBondContact O-N 3.28Å; L265-R268 PolarHBondContact O-N 3.06Å; L265-L269 VanDerWaalsContact O-CB 3.29Å; L265-L269 WeakPolarHBondContact O-CB 3.42Å; L265-L269 PolarHBondContact O-N 3.36Å
266H94.7Very high92.8Very high56 Ų5657.2 Ų57.226%0.25929%0.291SS..Hα-helixtrans-56.9-52.317516962.8000112A262 D263 R268 H270 L271 Y274A262-H266 WeakPolarHBondContact O-CB 3.36Å; A262-H266 PolarHBondContact O-N 3.05Å; D263-H266 PolarHBondContact O-N 3.05Å; H266-R268 VanDerWaalsContact C-N 3.34Å; H266-R268 PolarHBondContact O-N 2.69Å; H266-H270 WeakPolarHBondContact O-CA 3.47Å; H266-H270 PolarHBondContact O-N 3.08Å; H266-L271 HydrophobicContact CB-CD1 4.46Å; H266-L271 PolarHBondContact CE1-O 3.4Å; H266-L271 PolarHBondContact ND1-O 3.11Å; H266-L271 VanDerWaalsContact ND1-O 3.07Å; H266-L271 PolarHBondContact O-N 2.84Å; H266-Y274 HydrophobicContact CB-CD1 3.96Å; H266-Y274 HydrophobicContact CB-CD2 3.74Å; H266-Y274 HydrophobicContact CB-CE1 4.06Å; H266-Y274 HydrophobicContact CB-CE2 3.84Å; H266-Y274 HydrophobicContact CB-CG 3.79Å; H266-Y274 AromaticContact CD2-CD1 3.75Å; H266-Y274 AromaticContact CE1-CD1 3.93Å; H266-Y274 AromaticContact CG-CD1 3.48Å; H266-Y274 VanDerWaalsContact CG-CD1 3.48Å; H266-Y274 AromaticContact CG-CE1 3.93Å; H266-Y274 AromaticContact CG-CG 3.52Å; H266-Y274 WeakPolarHBondContact ND1-CB 3.45Å; H266-Y274 AromaticContact ND1-CD1 3.62Å; H266-Y274 AromaticContact ND1-CG 3.39Å
267K93.3Very high92.3Very high154 Ų15464.4 Ų64.467%0.6733%0.325SS*.Hα-helixtrans-62.5-40.9179.3-73.7172.9-176.6173.70112.1D263 I264 H270D263-K267 WeakPolarHBondContact O-CB 3.44Å; D263-K267 VanDerWaalsContact O-CG 3.26Å; D263-K267 WeakPolarHBondContact O-CG 3.32Å; D263-K267 PolarHBondContact O-N 3.26Å; I264-K267 PolarHBondContact O-N 3.2Å; K267-H270 PolarHBondContact O-CE1 3.09Å
268R93.1Very high92Very high73 Ų7364.9 Ų64.928%0.27533%0.327SS..Hα-helixtrans-77.6-29.3-174-172.962.7-176.475.611.6113.6S173 V177 D213 I264 L265 H266S173-R268 PolarHBondContact O-NH1 3Å; S173-R268 PolarHBondContact O-NH2 3.24Å; V177-R268 HydrophobicContact CG2-CB 4Å; V177-R268 HydrophobicContact CG2-CG 3.29Å; D213-R268 IonicContact OD1-CZ 3.45Å; D213-R268 IonicContact OD1-NE 3.22Å; D213-R268 PolarHBondContact OD1-NE 3.26Å; D213-R268 IonicContact OD1-NH2 3.64Å; D213-R268 PolarHBondContact OD1-NH2 2.96Å; I264-R268 WeakPolarHBondContact O-CB 3.22Å; I264-R268 PolarHBondContact O-N 2.74Å; L265-R268 PolarHBondContact O-N 3.06Å; H266-R268 VanDerWaalsContact C-N 3.34Å; H266-R268 PolarHBondContact O-N 2.69Å
269L95.6Very high91.4Very high0 Ų064.7 Ų64.70%032%0.324CS..Hα-helixtrans-104.2-6.3-179.3-67.2174.5000114.1K3 I5 V177 L265 L271K3-L269 HydrophobicContact CB-CB 4.4Å; K3-L269 HydrophobicContact CB-CD1 4.15Å; K3-L269 HydrophobicContact CB-CD2 4.17Å; K3-L269 HydrophobicContact CB-CG 4.48Å; K3-L269 WeakPolarHBondContact CD-O 3.2Å; K3-L269 VanDerWaalsContact CE-O 3.23Å; K3-L269 WeakPolarHBondContact CE-O 3.37Å; K3-L269 HydrophobicContact CG-CB 4.34Å; K3-L269 PolarHBondContact NZ-O 3.11Å; I5-L269 HydrophobicContact CD1-CD1 4.09Å; I5-L269 HydrophobicContact CG1-CD1 3.83Å; V177-L269 HydrophobicContact CB-CD2 4.21Å; V177-L269 HydrophobicContact CB-CG 4.43Å; V177-L269 HydrophobicContact CG2-CD1 4.3Å; V177-L269 HydrophobicContact CG2-CD2 3.57Å; V177-L269 HydrophobicContact CG2-CG 3.71Å; L265-L269 VanDerWaalsContact O-CB 3.29Å; L265-L269 WeakPolarHBondContact O-CB 3.42Å; L265-L269 PolarHBondContact O-N 3.36Å; L269-L271 HydrophobicContact CB-CD2 3.75Å; L269-L271 HydrophobicContact CB-CG 3.98Å; L269-L271 HydrophobicContact CD1-CD2 4.34Å
270H94.2Very high91Very high118 Ų11865.9 Ų65.955%0.54633%0.33SS..THydrogen-bonded Turntrans53.358.1-174.9-51.5-67.5000111.5H266 K267 E272H266-H270 WeakPolarHBondContact O-CA 3.47Å; H266-H270 PolarHBondContact O-N 3.08Å; K267-H270 PolarHBondContact O-CE1 3.09Å; H270-E272 PolarHBondContact O-N 2.99Å
271L94.3Very high90.7Very high7 Ų765.7 Ų65.74%0.03733%0.325CS..  trans-75.3106.9-175.9-58.8178.1000111K3 L28 V33 V143 H266 L269 K273 Y274K3-L271 HydrophobicContact CB-CD2 4.39Å; K3-L271 HydrophobicContact CG-CD2 3.93Å; L28-L271 HydrophobicContact CD2-CD1 3.8Å; V33-L271 HydrophobicContact CG1-CD1 4.35Å; V33-L271 HydrophobicContact CG2-CD1 4.11Å; V143-L271 HydrophobicContact CG2-CD1 4.38Å; V143-L271 HydrophobicContact CG2-CD2 3.62Å; H266-L271 HydrophobicContact CB-CD1 4.46Å; H266-L271 PolarHBondContact CE1-O 3.4Å; H266-L271 PolarHBondContact ND1-O 3.11Å; H266-L271 VanDerWaalsContact ND1-O 3.07Å; H266-L271 PolarHBondContact O-N 2.84Å; L269-L271 HydrophobicContact CB-CD2 3.75Å; L269-L271 HydrophobicContact CB-CG 3.98Å; L269-L271 HydrophobicContact CD1-CD2 4.34Å; L271-K273 PolarHBondContact O-N 2.88Å; L271-Y274 WeakPolarHBondContact O-CB 3.28Å; L271-Y274 PolarHBondContact O-N 3.31Å
272E90.6Very high90.4Very high188 Ų18870 Ų7088%0.87935%0.348SS*.THydrogen-bonded Turntrans-65.1-36.2-173.6-65.4171.6-174.700114.3H270 Y274H270-E272 PolarHBondContact O-N 2.99Å; E272-Y274 VanDerWaalsContact C-N 3.32Å
273K88.4Confident89.9Confident108 Ų10873.6 Ų73.647%0.4737%0.372SS..THydrogen-bonded Turntrans-90.77.5-177.3-62.4-177.6-170.1149.60114D142 L271 S275D142-K273 WeakPolarHBondContact OD1-CE 3.39Å; D142-K273 IonicContact OD1-NZ 3.18Å; D142-K273 PolarHBondContact OD1-NZ 2.94Å; D142-K273 IonicContact OD2-NZ 2.82Å; D142-K273 PolarHBondContact OD2-NZ 3.36Å; L271-K273 PolarHBondContact O-N 2.88Å; K273-S275 PolarHBondContact O-N 3.19Å
274Y92.5Very high89.6Confident22 Ų2270.9 Ų70.99%0.08636%0.357CS..  trans-68.9121.7-178.3-176.1-94000110.4H31 V33 A262 D263 H266 L271 E272H31-Y274 HydrophobicContact CB-CD2 3.62Å; H31-Y274 HydrophobicContact CB-CE2 3.45Å; H31-Y274 VanDerWaalsContact CB-CE2 3.45Å; H31-Y274 HydrophobicContact CB-CG 4.43Å; H31-Y274 AromaticContact CD2-CE2 3.97Å; H31-Y274 AromaticContact CE1-CZ 3.95Å; H31-Y274 PolarHBondContact CE1-OH 3.47Å; H31-Y274 AromaticContact CG-CE2 3.47Å; H31-Y274 VanDerWaalsContact CG-CE2 3.47Å; H31-Y274 AromaticContact CG-CZ 3.77Å; H31-Y274 AromaticContact ND1-CE2 3.78Å; H31-Y274 AromaticContact ND1-CZ 3.57Å; V33-Y274 HydrophobicContact CG2-CD2 4.14Å; A262-Y274 HydrophobicContact CB-CE2 4.09Å; A262-Y274 VanDerWaalsContact CB-OH 3.26Å; A262-Y274 WeakPolarHBondContact CB-OH 3.43Å; D263-Y274 PolarHBondContact N-OH 2.86Å; D263-Y274 PolarHBondContact OD1-OH 3.39Å; H266-Y274 HydrophobicContact CB-CD1 3.96Å; H266-Y274 HydrophobicContact CB-CD2 3.74Å; H266-Y274 HydrophobicContact CB-CE1 4.06Å; H266-Y274 HydrophobicContact CB-CE2 3.84Å; H266-Y274 HydrophobicContact CB-CG 3.79Å; H266-Y274 AromaticContact CD2-CD1 3.75Å; H266-Y274 AromaticContact CE1-CD1 3.93Å; H266-Y274 AromaticContact CG-CD1 3.48Å; H266-Y274 VanDerWaalsContact CG-CD1 3.48Å; H266-Y274 AromaticContact CG-CE1 3.93Å; H266-Y274 AromaticContact CG-CG 3.52Å; H266-Y274 WeakPolarHBondContact ND1-CB 3.45Å; H266-Y274 AromaticContact ND1-CD1 3.62Å; H266-Y274 AromaticContact ND1-CG 3.39Å; L271-Y274 WeakPolarHBondContact O-CB 3.28Å; L271-Y274 PolarHBondContact O-N 3.31Å; E272-Y274 VanDerWaalsContact C-N 3.32Å
275S91.6Very high89.4Confident49 Ų4974.7 Ų74.734%0.34337%0.372SS..  trans-96.7139.4171.9-174.90000110.4H31 K273 E277H31-S275 PolarHBondContact ND1-O 2.75Å; H31-S275 PolarHBondContact O-N 2.8Å; K273-S275 PolarHBondContact O-N 3.19Å; S275-E277 PolarHBondContact O-N 3.26Å; S275-E277 PolarHBondContact OG-N 2.72Å; S275-E277 VanDerWaalsContact OG-N 3.15Å; S275-E277 PolarHBondContact OG-O 2.92Å
276N87.3Confident89Confident137 Ų13779.3 Ų79.373%0.73339%0.393SS*.SBendtrans-70.9-20.7169.8-67.7-35.7000111.9
277E84.9Confident88.5Confident152 Ų15277.4 Ų77.471%0.7139%0.385SS*.  trans-83.5134.2174.7-62.5178.1-17700110.4S275S275-E277 PolarHBondContact O-N 3.26Å; S275-E277 PolarHBondContact OG-N 2.72Å; S275-E277 VanDerWaalsContact OG-N 3.15Å; S275-E277 PolarHBondContact OG-O 2.92Å
278S85.8Confident88.3Confident30 Ų3070.3 Ų70.321%0.2136%0.355CS..  trans-13859.7-178.357.10000113.2C30 M280 L281C30-S278 WeakPolarHBondContact O-CA 3.13Å; C30-S278 WeakPolarHBondContact O-CB 3.32Å; S278-M280 PolarHBondContact O-N 3.02Å; S278-M280 VanDerWaalsContact O-N 3.12Å; S278-L281 WeakPolarHBondContact O-CB 3.47Å; S278-L281 PolarHBondContact O-N 3.26Å
279P79.5Confident88.1Confident93 Ų9371.7 Ų71.760%0.60436%0.363SS*.Hα-helixtrans-59.3-29.6-178.225.5-35000113L281 D282P279-L281 PolarHBondContact O-N 3.31Å; P279-D282 PolarHBondContact O-N 2.91Å; P279-D282 VanDerWaalsContact O-N 3.16Å
280M84.1Confident87.7Confident79 Ų7974.5 Ų74.539%0.38937%0.374SS..Hα-helixtrans-64.3-26.9176.1-165-170.9-40.600112.5Q29 C30 S278 D282 C283 W284Q29-M280 WeakPolarHBondContact O-CE 3.49Å; C30-M280 HydrophobicContact CB-CB 4.24Å; S278-M280 PolarHBondContact O-N 3.02Å; S278-M280 VanDerWaalsContact O-N 3.12Å; M280-D282 PolarHBondContact O-N 2.83Å; M280-C283 WeakPolarHBondContact O-CB 3.27Å; M280-C283 PolarHBondContact O-N 3.35Å; M280-W284 VanDerWaalsContact O-CD1 3.26Å; M280-W284 PolarHBondContact O-N 2.93Å; M280-W284 VanDerWaalsContact O-N 3.12Å
281L85.9Confident87.3Confident14 Ų1471 Ų717%0.07336%0.359CS..Hα-helixtrans-66.2-31.4176.8-172.963.6000111.2C30 A257 S278 P279 W284 K285C30-L281 HydrophobicContact CB-CB 4.19Å; A257-L281 HydrophobicContact CB-CD1 4.2Å; A257-L281 HydrophobicContact CB-CD2 3.83Å; S278-L281 WeakPolarHBondContact O-CB 3.47Å; S278-L281 PolarHBondContact O-N 3.26Å; P279-L281 PolarHBondContact O-N 3.31Å; L281-W284 WeakPolarHBondContact O-CB 3.21Å; L281-W284 PolarHBondContact O-N 3.04Å; L281-K285 WeakPolarHBondContact O-CG 3.46Å; L281-K285 PolarHBondContact O-N 2.69Å
282D86.8Confident86.8Confident92 Ų9273.8 Ų73.849%0.49237%0.371SS..Hα-helixtrans-72.3-37.3176.6-63.6-33.2000111.4P279 M280 W284 K285 E286P279-D282 PolarHBondContact O-N 2.91Å; P279-D282 VanDerWaalsContact O-N 3.16Å; M280-D282 PolarHBondContact O-N 2.83Å; D282-W284 VanDerWaalsContact C-N 3.25Å; D282-W284 PolarHBondContact O-N 3.01Å; D282-K285 PolarHBondContact O-N 3.38Å; D282-K285 IonicContact OD1-NZ 2.86Å; D282-K285 PolarHBondContact OD1-NZ 2.97Å; D282-E286 WeakPolarHBondContact O-CB 3.47Å; D282-E286 PolarHBondContact O-N 3.47Å
283C84.8Confident86.6Confident78 Ų7869.6 Ų69.653%0.52735%0.352SS..Hα-helixtrans-58.6-38.5169-61.60000112M280 L287M280-C283 WeakPolarHBondContact O-CB 3.27Å; M280-C283 PolarHBondContact O-N 3.35Å; C283-L287 WeakPolarHBondContact O-CB 3.49Å; C283-L287 PolarHBondContact O-N 3.01Å
284W85.8Confident86.3Confident11 Ų1166.1 Ų66.14%0.04234%0.337CS..Hα-helixtrans-67.3-43.3175.5-86.5106.8000113.1V26 C30 F78 Y250 M280 L281 D282 E286 L287 A288V26-W284 HydrophobicContact CG1-CD2 3.9Å; V26-W284 VanDerWaalsContact CG1-CE2 3.42Å; V26-W284 HydrophobicContact CG1-CG 4.04Å; V26-W284 HydrophobicContact CG1-CZ2 3.88Å; V26-W284 VanDerWaalsContact CG1-NE1 3.32Å; V26-W284 HydrophobicContact CG2-CH2 4.39Å; V26-W284 HydrophobicContact CG2-CZ2 3.84Å; C30-W284 VanDerWaalsContact SG-CD1 3.58Å; F78-W284 HydrophobicContact CB-CH2 4.43Å; F78-W284 HydrophobicContact CD1-CH2 4.21Å; F78-W284 HydrophobicContact CG-CH2 4.42Å; F78-W284 WeakPolarHBondContact O-CZ2 3.36Å; Y250-W284 HydrophobicContact CD1-CE3 4.04Å; Y250-W284 HydrophobicContact CD1-CH2 4.22Å; Y250-W284 AromaticContact CD1-CZ3 3.31Å; Y250-W284 HydrophobicContact CD1-CZ3 3.31Å; Y250-W284 HydrophobicContact CE1-CH2 4.18Å; Y250-W284 AromaticContact CE1-CZ3 3.62Å; Y250-W284 HydrophobicContact CE1-CZ3 3.62Å; Y250-W284 HydrophobicContact CG-CZ3 4.43Å; M280-W284 VanDerWaalsContact O-CD1 3.26Å; M280-W284 PolarHBondContact O-N 2.93Å; M280-W284 VanDerWaalsContact O-N 3.12Å; L281-W284 WeakPolarHBondContact O-CB 3.21Å; L281-W284 PolarHBondContact O-N 3.04Å; D282-W284 VanDerWaalsContact C-N 3.25Å; D282-W284 PolarHBondContact O-N 3.01Å; W284-E286 VanDerWaalsContact C-N 3.31Å; W284-E286 PolarHBondContact O-N 3.1Å; W284-L287 HydrophobicContact CE3-CD2 3.92Å; W284-L287 HydrophobicContact CZ3-CD2 3.65Å; W284-L287 PolarHBondContact O-N 3.08Å; W284-A288 WeakPolarHBondContact O-CB 3.07Å; W284-A288 PolarHBondContact O-N 3.07Å
285K88.3Confident85.7Confident106 Ų10671.7 Ų71.746%0.46137%0.367SS..Hα-helixtrans-61.6-41.7175.3-70.6171.6-165.7153.90111L281 D282 A288 F289L281-K285 WeakPolarHBondContact O-CG 3.46Å; L281-K285 PolarHBondContact O-N 2.69Å; D282-K285 PolarHBondContact O-N 3.38Å; D282-K285 IonicContact OD1-NZ 2.86Å; D282-K285 PolarHBondContact OD1-NZ 2.97Å; K285-A288 PolarHBondContact O-N 2.82Å; K285-F289 WeakPolarHBondContact O-CB 3.4Å; K285-F289 PolarHBondContact O-N 3.37Å
286E86.5Confident85.7Confident98 Ų9877.8 Ų77.846%0.45838%0.383SS..Hα-helixtrans-63.5-45.9176.5178.855.8-153.100111.6D282 W284 A288 F289 R290D282-E286 WeakPolarHBondContact O-CB 3.47Å; D282-E286 PolarHBondContact O-N 3.47Å; W284-E286 VanDerWaalsContact C-N 3.31Å; W284-E286 PolarHBondContact O-N 3.1Å; E286-A288 VanDerWaalsContact C-N 3.3Å; E286-A288 PolarHBondContact O-N 3.4Å; E286-F289 WeakPolarHBondContact O-CB 3.37Å; E286-F289 PolarHBondContact O-N 3.34Å; E286-F289 VanDerWaalsContact O-N 3.15Å; E286-R290 WeakPolarHBondContact O-CG 3.44Å; E286-R290 PolarHBondContact O-N 3.46Å; E286-R290 VanDerWaalsContact OE1-CD 3.28Å; E286-R290 WeakPolarHBondContact OE1-CD 3.22Å; E286-R290 VanDerWaalsContact OE1-CG 3.23Å; E286-R290 WeakPolarHBondContact OE1-CG 3.36Å
287L86Confident86Confident17 Ų1775.5 Ų75.59%0.08937%0.371CS..Hα-helixtrans-57.3-46.4174.8-176.173.2000111.1Y250 C283 W284 F289 R290 I291 I325 L528Y250-L287 HydrophobicContact CD1-CD2 4.14Å; Y250-L287 HydrophobicContact CE1-CD2 4.21Å; C283-L287 WeakPolarHBondContact O-CB 3.49Å; C283-L287 PolarHBondContact O-N 3.01Å; W284-L287 HydrophobicContact CE3-CD2 3.92Å; W284-L287 HydrophobicContact CZ3-CD2 3.65Å; W284-L287 PolarHBondContact O-N 3.08Å; L287-F289 VanDerWaalsContact C-N 3.32Å; L287-F289 PolarHBondContact O-N 2.65Å; L287-R290 PolarHBondContact O-N 3.42Å; L287-I291 HydrophobicContact CG-CD1 4.34Å; L287-I291 WeakPolarHBondContact O-CD1 3.26Å; L287-I291 VanDerWaalsContact O-CG1 3.26Å; L287-I291 WeakPolarHBondContact O-CG1 3.14Å; L287-I291 PolarHBondContact O-N 3.37Å; L287-I325 HydrophobicContact CD1-CD1 4.45Å; L287-I325 HydrophobicContact CD1-CG2 3.94Å; L287-L528 HydrophobicContact CD2-CD2 4.49Å
288A88.9Confident86.6Confident4 Ų468.4 Ų68.43%0.03334%0.337CS..Hα-helixtrans-65.7-34.6178.100000112.5N248 K251 W284 K285 E286N248-A288 PolarHBondContact ND2-O 3.49Å; K251-A288 HydrophobicContact CG-CB 4.08Å; W284-A288 WeakPolarHBondContact O-CB 3.07Å; W284-A288 PolarHBondContact O-N 3.07Å; K285-A288 PolarHBondContact O-N 2.82Å; E286-A288 VanDerWaalsContact C-N 3.3Å; E286-A288 PolarHBondContact O-N 3.4Å
289F89.3Confident87.2Confident103 Ų10369.2 Ų69.245%0.45234%0.337SS..Hα-helixtrans-66.3-50.5175.5177.8-99.7000110.9K285 E286 L287 I291 E292 H293K285-F289 WeakPolarHBondContact O-CB 3.4Å; K285-F289 PolarHBondContact O-N 3.37Å; E286-F289 WeakPolarHBondContact O-CB 3.37Å; E286-F289 PolarHBondContact O-N 3.34Å; E286-F289 VanDerWaalsContact O-N 3.15Å; L287-F289 VanDerWaalsContact C-N 3.32Å; L287-F289 PolarHBondContact O-N 2.65Å; F289-I291 VanDerWaalsContact C-N 3.33Å; F289-I291 PolarHBondContact O-N 3.17Å; F289-E292 PolarHBondContact O-N 3.46Å; F289-E292 VanDerWaalsContact O-N 3.14Å; F289-H293 AromaticContact CD2-CE1 3.46Å; F289-H293 VanDerWaalsContact CD2-CE1 3.46Å; F289-H293 WeakPolarHBondContact CD2-CE1 3.42Å; F289-H293 AromaticContact CD2-ND1 3.53Å; F289-H293 HydrophobicContact CE1-CB 4.29Å; F289-H293 AromaticContact CE2-CD2 3.81Å; F289-H293 AromaticContact CE2-CE1 3.26Å; F289-H293 WeakPolarHBondContact CE2-CE1 3.44Å; F289-H293 AromaticContact CE2-CG 3.82Å; F289-H293 AromaticContact CE2-ND1 3.47Å; F289-H293 WeakPolarHBondContact CE2-ND1 3.31Å; F289-H293 AromaticContact CE2-NE2 3.46Å; F289-H293 WeakPolarHBondContact CE2-NE2 3.44Å; F289-H293 AromaticContact CG-ND1 3.95Å; F289-H293 HydrophobicContact CZ-CB 4.32Å; F289-H293 AromaticContact CZ-CD2 3.8Å; F289-H293 AromaticContact CZ-CE1 3.98Å; F289-H293 AromaticContact CZ-CG 3.73Å; F289-H293 AromaticContact CZ-ND1 3.84Å; F289-H293 AromaticContact CZ-NE2 3.95Å; F289-H293 PolarHBondContact O-N 3.04Å; F289-H293 PolarHBondContact O-ND1 3.15Å
290R85.9Confident88.1Confident59 Ų5964.8 Ų64.822%0.22331%0.309CS..Hα-helixtrans-57-44.3-178.9-72.6179.961.6177.3-2.5112.7E286 L287 E292 H293 E294 I325 H328E286-R290 WeakPolarHBondContact O-CG 3.44Å; E286-R290 PolarHBondContact O-N 3.46Å; E286-R290 VanDerWaalsContact OE1-CD 3.28Å; E286-R290 WeakPolarHBondContact OE1-CD 3.22Å; E286-R290 VanDerWaalsContact OE1-CG 3.23Å; E286-R290 WeakPolarHBondContact OE1-CG 3.36Å; L287-R290 PolarHBondContact O-N 3.42Å; R290-E292 PolarHBondContact O-N 2.94Å; R290-H293 PolarHBondContact O-N 2.74Å; R290-E294 IonicContact NE-OE1 3.06Å; R290-E294 IonicContact NH2-OE1 3.61Å; R290-E294 WeakPolarHBondContact O-CG 3.27Å; R290-E294 PolarHBondContact O-N 3.25Å; R290-I325 HydrophobicContact CB-CG2 4.27Å; R290-I325 PolarHBondContact NH2-O 2.92Å; R290-H328 VanDerWaalsContact CZ-CE1 3.47Å; R290-H328 PolarHBondContact NH2-CE1 3.18Å; R290-H328 PolarHBondContact NH2-ND1 3.33Å; R290-H328 PolarHBondContact NH2-NE2 3.46Å
291I85.5Confident88.7Confident43 Ų4361 Ų6122%0.22129%0.29CS..Hα-helixtrans-51.8-33.7179.6-72.2169.3000113.3N248 Y250 L287 F289 I325N248-I291 HydrophobicContact CB-CG2 3.79Å; Y250-I291 HydrophobicContact CD2-CD1 3.17Å; Y250-I291 HydrophobicContact CE2-CD1 3.64Å; Y250-I291 HydrophobicContact CG-CD1 3.9Å; L287-I291 HydrophobicContact CG-CD1 4.34Å; L287-I291 WeakPolarHBondContact O-CD1 3.26Å; L287-I291 VanDerWaalsContact O-CG1 3.26Å; L287-I291 WeakPolarHBondContact O-CG1 3.14Å; L287-I291 PolarHBondContact O-N 3.37Å; F289-I291 VanDerWaalsContact C-N 3.33Å; F289-I291 PolarHBondContact O-N 3.17Å; I291-I325 HydrophobicContact CD1-CD1 3.58Å; I291-I325 HydrophobicContact CD1-CG1 4.45Å; I291-I325 HydrophobicContact CG1-CD1 3.27Å; I291-I325 HydrophobicContact CG1-CG1 3.61Å
292E84.5Confident89.3Confident66 Ų6660.7 Ų60.731%0.30829%0.288SS..Hα-helixtrans-92.6-18.1-178.9-76.3173.9-177.100114.3N248 K251 F289 R290N248-E292 WeakPolarHBondContact ND2-CG 3.3Å; N248-E292 PolarHBondContact ND2-OE1 3.33Å; N248-E292 VanDerWaalsContact ND2-OE1 3.15Å; K251-E292 WeakPolarHBondContact CE-OE1 3.45Å; K251-E292 VanDerWaalsContact CE-OE2 3.26Å; K251-E292 WeakPolarHBondContact CE-OE2 3.4Å; K251-E292 IonicContact NZ-OE1 3.81Å; K251-E292 PolarHBondContact NZ-OE1 3.45Å; K251-E292 IonicContact NZ-OE2 2.84Å; K251-E292 PolarHBondContact NZ-OE2 3.06Å; F289-E292 PolarHBondContact O-N 3.46Å; F289-E292 VanDerWaalsContact O-N 3.14Å; R290-E292 PolarHBondContact O-N 2.94Å
293H86.2Confident89.8Confident100 Ų10056.3 Ų56.346%0.46327%0.265SS..Hα-helixtrans-112.8-1.6-169.6-64.279.9000113.5F289 R290 I295F289-H293 AromaticContact CD2-CE1 3.46Å; F289-H293 VanDerWaalsContact CD2-CE1 3.46Å; F289-H293 WeakPolarHBondContact CD2-CE1 3.42Å; F289-H293 AromaticContact CD2-ND1 3.53Å; F289-H293 HydrophobicContact CE1-CB 4.29Å; F289-H293 AromaticContact CE2-CD2 3.81Å; F289-H293 AromaticContact CE2-CE1 3.26Å; F289-H293 WeakPolarHBondContact CE2-CE1 3.44Å; F289-H293 AromaticContact CE2-CG 3.82Å; F289-H293 AromaticContact CE2-ND1 3.47Å; F289-H293 WeakPolarHBondContact CE2-ND1 3.31Å; F289-H293 AromaticContact CE2-NE2 3.46Å; F289-H293 WeakPolarHBondContact CE2-NE2 3.44Å; F289-H293 AromaticContact CG-ND1 3.95Å; F289-H293 HydrophobicContact CZ-CB 4.32Å; F289-H293 AromaticContact CZ-CD2 3.8Å; F289-H293 AromaticContact CZ-CE1 3.98Å; F289-H293 AromaticContact CZ-CG 3.73Å; F289-H293 AromaticContact CZ-ND1 3.84Å; F289-H293 AromaticContact CZ-NE2 3.95Å; F289-H293 PolarHBondContact O-N 3.04Å; F289-H293 PolarHBondContact O-ND1 3.15Å; R290-H293 PolarHBondContact O-N 2.74Å; H293-I295 WeakPolarHBondContact O-CG1 3.24Å; H293-I295 PolarHBondContact O-N 2.98Å
294E83.3Confident90.2Very high35 Ų3552.6 Ų52.616%0.16424%0.24CC..  trans-67.2122.9169.4-66.5-58.6166.900110.1R290 H328 N330R290-E294 IonicContact NE-OE1 3.06Å; R290-E294 IonicContact NH2-OE1 3.61Å; R290-E294 WeakPolarHBondContact O-CG 3.27Å; R290-E294 PolarHBondContact O-N 3.25Å; E294-H328 IonicContact OE1-ND1 2.75Å; E294-H328 VanDerWaalsContact OE2-C 3.24Å; E294-H328 WeakPolarHBondContact OE2-CA 3.23Å; E294-N330 HydrophobicContact CB-CB 4.26Å
295I79.2Confident90.4Very high140 Ų14056.7 Ų56.772%0.71826%0.259SS*.  trans-95.7-26.9-171.2-58.1165.8000111.9H293 D297H293-I295 WeakPolarHBondContact O-CG1 3.24Å; H293-I295 PolarHBondContact O-N 2.98Å; I295-D297 PolarHBondContact O-N 2.97Å
296W91.1Very high90.3Very high177 Ų17755 Ų5567%0.6726%0.255SS*.  trans-88.9105.3-169.1-62.5102.7000111.6R329 N330W296-R329 WeakPolarHBondContact O-CA 3.43Å; W296-R329 WeakPolarHBondContact O-CD 3.45Å; W296-N330 PolarHBondContact O-N 3.22Å
297D94.8Very high90Very high89 Ų8950.7 Ų50.748%0.47624%0.236SC..EExtended strand (participates in β ladder)trans-71.3133.1-178.9-75-7.2000113.1I295 N330 V332I295-D297 PolarHBondContact O-N 2.97Å; D297-N330 CarbonylContact C-O 3.58Å; D297-N330 VanDerWaalsContact CA-O 3.26Å; D297-N330 WeakPolarHBondContact CA-O 3.48Å; D297-N330 PolarHBondContact OD1-ND2 3.21Å; D297-V332 HydrophobicContact CB-CG2 4.05Å
298V96.7Very high90Very high2 Ų256.2 Ų56.21%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-119.2103.1166.962.90000109.6I300 R329 N330 V331 V332 H364 I538 A541V298-I300 HydrophobicContact CG2-CD1 4.14Å; V298-I300 PolarHBondContact O-N 3.47Å; V298-R329 HydrophobicContact CB-CB 4.45Å; V298-R329 HydrophobicContact CG1-CB 3.81Å; V298-R329 HydrophobicContact CG1-CG 4.45Å; V298-N330 PolarHBondContact N-O 2.83Å; V298-V331 HydrophobicContact CG1-CB 4.13Å; V298-V331 HydrophobicContact CG1-CG2 4.32Å; V298-V331 WeakPolarHBondContact O-CA 3.5Å; V298-V332 PolarHBondContact O-N 3.12Å; V298-H364 HydrophobicContact CG2-CB 4.39Å; V298-I538 HydrophobicContact CG1-CD1 3.92Å; V298-I538 HydrophobicContact CG1-CG2 4.21Å; V298-A541 HydrophobicContact CG2-CB 3.59Å
299K97.9Very high89.7Confident48 Ų4858.8 Ų58.821%0.20927%0.272CS..EExtended strand (participates in β ladder)trans-71.6121.4175.5-59.7170-174.1170.20112V332 D362 C363 H364 G365K299-V332 CarbonylContact C-O 3.52Å; K299-V332 VanDerWaalsContact CA-O 3.27Å; K299-V332 WeakPolarHBondContact CA-O 3.25Å; K299-V332 HydrophobicContact CG-CB 4.18Å; K299-V332 HydrophobicContact CG-CG1 4.43Å; K299-D362 VanDerWaalsContact CD-O 3.32Å; K299-D362 WeakPolarHBondContact CD-O 3.47Å; K299-D362 VanDerWaalsContact NZ-CG 3.28Å; K299-D362 IonicContact NZ-OD1 3.36Å; K299-D362 PolarHBondContact NZ-OD1 2.89Å; K299-D362 IonicContact NZ-OD2 2.68Å; K299-D362 PolarHBondContact NZ-OD2 2.84Å; K299-C363 HydrophobicContact CB-CB 4.41Å; K299-H364 PolarHBondContact N-ND1 3.06Å; K299-H364 PolarHBondContact O-N 3.03Å; K299-G365 PolarHBondContact O-N 2.87Å
300I98.3Very high89.1Confident0 Ų058.7 Ų58.70%028%0.284CS..EExtended strand (participates in β ladder)trans-118.1125.4175.6-59.1-63.1000110V298 L302 L320 V331 V332 R334 G365 L367 L537 I538 A541V298-I300 HydrophobicContact CG2-CD1 4.14Å; V298-I300 PolarHBondContact O-N 3.47Å; I300-L302 PolarHBondContact O-N 3Å; I300-L320 HydrophobicContact CG1-CD2 4.37Å; I300-L320 HydrophobicContact CG2-CD1 4.24Å; I300-L320 HydrophobicContact CG2-CD2 4.2Å; I300-V331 HydrophobicContact CB-CG2 4.33Å; I300-V331 HydrophobicContact CG1-CG2 3.86Å; I300-V332 PolarHBondContact N-O 3.06Å; I300-R334 PolarHBondContact O-N 2.99Å; I300-G365 WeakPolarHBondContact CA-O 3.33Å; I300-L367 HydrophobicContact CG2-CB 4.23Å; I300-L537 HydrophobicContact CD1-CG 4.37Å; I300-L537 HydrophobicContact CG2-CD2 4.25Å; I300-I538 HydrophobicContact CD1-CD1 4.21Å; I300-I538 HydrophobicContact CG1-CD1 3.96Å; I300-A541 HydrophobicContact CD1-CB 3.73Å
301A97.9Very high89Confident0 Ų061.2 Ų61.20%030%0.299CS..EExtended strand (participates in β ladder)trans-78.6114.5173.100000110.2I303 R334 F336 C363 G365 M366 L367A301-I303 HydrophobicContact CB-CD1 4.02Å; A301-R334 CarbonylContact C-O 3.18Å; A301-R334 WeakPolarHBondContact CA-O 3.12Å; A301-F336 HydrophobicContact CB-CD2 3.91Å; A301-F336 HydrophobicContact CB-CE2 3.77Å; A301-C363 HydrophobicContact CB-CB 3.91Å; A301-G365 PolarHBondContact N-O 3.42Å; A301-M366 HydrophobicContact CB-CG 4.2Å; A301-M366 WeakPolarHBondContact O-CA 3.47Å; A301-L367 PolarHBondContact O-N 3.08Å
302L97.5Very high89Confident7 Ų759.4 Ų59.44%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-90.7105173.4173.964000109.4I300 I333 R334 F336 L367 I369I300-L302 PolarHBondContact O-N 3Å; L302-I333 HydrophobicContact CB-CG2 3.76Å; L302-I333 HydrophobicContact CD2-CG2 4.16Å; L302-R334 PolarHBondContact N-O 3.42Å; L302-F336 PolarHBondContact O-N 2.68Å; L302-L367 HydrophobicContact CD1-CB 4.45Å; L302-L367 HydrophobicContact CD1-CD2 3.93Å; L302-L367 HydrophobicContact CD1-CG 4.09Å; L302-I369 HydrophobicContact CD1-CG2 3.51Å
303I96.4Very high89.4Confident0 Ų057.4 Ų57.40%028%0.28CS..EExtended strand (participates in β ladder)trans-101.1107.4-179.6-44.6-55.9000109.7A301 F336 C338 L341 M366 L367 V368 I369 A383A301-I303 HydrophobicContact CB-CD1 4.02Å; I303-F336 HydrophobicContact CD1-CB 3.61Å; I303-F336 HydrophobicContact CD1-CD2 3.79Å; I303-F336 HydrophobicContact CD1-CG 4Å; I303-C338 HydrophobicContact CG2-CB 4.24Å; I303-L341 HydrophobicContact CD1-CD1 4.26Å; I303-L341 HydrophobicContact CG2-CD1 3.63Å; I303-M366 HydrophobicContact CD1-CG 4.41Å; I303-M366 HydrophobicContact CG1-CG 3.67Å; I303-M366 HydrophobicContact CG1-SD 3.86Å; I303-L367 PolarHBondContact N-O 3.29Å; I303-V368 HydrophobicContact CB-CB 4.5Å; I303-V368 HydrophobicContact CB-CG2 3.98Å; I303-V368 HydrophobicContact CG1-CG2 4.08Å; I303-V368 WeakPolarHBondContact O-CA 3.45Å; I303-I369 PolarHBondContact O-N 2.97Å; I303-I369 VanDerWaalsContact O-N 3.12Å; I303-A383 HydrophobicContact CB-CB 4.46Å; I303-A383 HydrophobicContact CG1-CB 4.11Å; I303-A383 HydrophobicContact CG2-CB 3.9Å
304A94.2Very high89.7Confident0 Ų053.4 Ų53.40%026%0.264CS..EExtended strand (participates in β ladder)trans-156.6170.2-175.600000112.1A307 Y313 F336 D337 C338 I369A304-A307 HydrophobicContact CB-CB 4.26Å; A304-Y313 HydrophobicContact CB-CD2 3.93Å; A304-Y313 HydrophobicContact CB-CE1 4.07Å; A304-Y313 HydrophobicContact CB-CE2 3.25Å; A304-Y313 WeakPolarHBondContact CB-OH 3.33Å; A304-F336 PolarHBondContact N-O 3.29Å; A304-D337 WeakPolarHBondContact O-CA 3.3Å; A304-C338 PolarHBondContact O-N 3.42Å; A304-I369 HydrophobicContact CB-CG2 3.95Å; A304-I369 WeakPolarHBondContact CB-O 3.26Å
305Q90Very high90.2Very high96 Ų9651.7 Ų51.745%0.44926%0.256SS..THydrogen-bonded Turntrans-79.4132.9172178.9175.2-0.100109A307 Y313Q305-A307 PolarHBondContact O-N 3.3Å; Q305-Y313 PolarHBondContact N-OH 2.89Å; Q305-Y313 VanDerWaalsContact O-CE2 3.26Å; Q305-Y313 WeakPolarHBondContact O-CE2 3.37Å; Q305-Y313 PolarHBondContact O-OH 2.9Å
306L85.3Confident91Very high71 Ų7145 Ų4537%0.37222%0.222SC..THydrogen-bonded Turntrans57.636.8-173.3-55.8169.2000111.8H308 H309 D337L306-H308 PolarHBondContact O-N 3.17Å; L306-H309 HydrophobicContact CB-CB 4.16Å; L306-H309 VanDerWaalsContact O-CB 3.25Å; L306-H309 WeakPolarHBondContact O-CB 3.44Å; L306-H309 PolarHBondContact O-N 3.37Å; L306-D337 PolarHBondContact N-OD2 2.79Å
307A81.8Confident91.2Very high7 Ų738.6 Ų38.66%0.05820%0.202CC..THydrogen-bonded Turntrans-55.9-26.7-17700000113.6A304 Q305 H309 P335 F336A304-A307 HydrophobicContact CB-CB 4.26Å; Q305-A307 PolarHBondContact O-N 3.3Å; A307-H309 VanDerWaalsContact C-N 3.29Å; A307-H309 PolarHBondContact O-N 3.03Å; A307-P335 HydrophobicContact CB-CB 3.89Å; A307-P335 VanDerWaalsContact O-CB 3.25Å; A307-P335 WeakPolarHBondContact O-CB 3.25Å; A307-F336 WeakPolarHBondContact CB-O 3.41Å
308H84.3Confident91.1Very high133 Ų13336.3 Ų36.362%0.61619%0.188SC*.THydrogen-bonded Turntrans-77.3-10.7176.5-58.8-70.4000113.8L306 S310 P335L306-H308 PolarHBondContact O-N 3.17Å; H308-S310 PolarHBondContact O-N 2.85Å; H308-P335 PolarHBondContact CE1-O 2.8Å; H308-P335 VanDerWaalsContact CE1-O 3.25Å; H308-P335 WeakPolarHBondContact ND1-CG 3.44Å
309H83.1Confident91.1Very high58 Ų5836.2 Ų36.227%0.26919%0.187SC..  trans-79.3104.3175.9-167.1-61.2000109.4L306 A307 E311 A312L306-H309 HydrophobicContact CB-CB 4.16Å; L306-H309 VanDerWaalsContact O-CB 3.25Å; L306-H309 WeakPolarHBondContact O-CB 3.44Å; L306-H309 PolarHBondContact O-N 3.37Å; A307-H309 VanDerWaalsContact C-N 3.29Å; A307-H309 PolarHBondContact O-N 3.03Å; H309-E311 PolarHBondContact ND1-N 3.23Å; H309-E311 PolarHBondContact O-N 3.4Å; H309-A312 HydrophobicContact CB-CB 3.93Å; H309-A312 WeakPolarHBondContact O-CB 3.14Å; H309-A312 PolarHBondContact O-N 3.24Å
310S76.2Confident91Very high101 Ų10134 Ų3471%0.70618%0.178SC*.THydrogen-bonded Turntrans-52.2-32.9-174.452.80000114.2H308H308-S310 PolarHBondContact O-N 2.85Å
311E84Confident90.7Very high112 Ų11236.9 Ų36.952%0.52319%0.193SC..THydrogen-bonded Turntrans-90.1-8.4-178.7-51.8-173.115500114.9E58 H309 Y313E58-E311 WeakPolarHBondContact CB-O 3.11Å; E58-E311 PolarHBondContact N-O 3.09Å; H309-E311 PolarHBondContact ND1-N 3.23Å; H309-E311 PolarHBondContact O-N 3.4Å; E311-Y313 VanDerWaalsContact C-N 3.31Å; E311-Y313 PolarHBondContact O-N 3.27Å
312A86.6Confident90.4Very high5 Ų537 Ų374%0.04119%0.193CC..THydrogen-bonded Turntrans-69.8-30.7-173.100000113.1V53 H309V53-A312 HydrophobicContact CG1-CB 3.41Å; V53-A312 VanDerWaalsContact CG1-CB 3.41Å; H309-A312 HydrophobicContact CB-CB 3.93Å; H309-A312 WeakPolarHBondContact O-CB 3.14Å; H309-A312 PolarHBondContact O-N 3.24Å
313Y92.1Very high90.2Very high25 Ų2536.6 Ų36.610%0.09819%0.192CC..THydrogen-bonded Turntrans-131.739.6-176.6-57.7-73.2000110.7A304 Q305 E311 S315 A316 V317 I369A304-Y313 HydrophobicContact CB-CD2 3.93Å; A304-Y313 HydrophobicContact CB-CE1 4.07Å; A304-Y313 HydrophobicContact CB-CE2 3.25Å; A304-Y313 WeakPolarHBondContact CB-OH 3.33Å; Q305-Y313 PolarHBondContact N-OH 2.89Å; Q305-Y313 VanDerWaalsContact O-CE2 3.26Å; Q305-Y313 WeakPolarHBondContact O-CE2 3.37Å; Q305-Y313 PolarHBondContact O-OH 2.9Å; E311-Y313 VanDerWaalsContact C-N 3.31Å; E311-Y313 PolarHBondContact O-N 3.27Å; Y313-S315 VanDerWaalsContact C-N 3.28Å; Y313-S315 PolarHBondContact O-N 3.4Å; Y313-A316 WeakPolarHBondContact O-CB 3.12Å; Y313-A316 PolarHBondContact O-N 2.86Å; Y313-A316 VanDerWaalsContact O-N 3.08Å; Y313-V317 WeakPolarHBondContact O-CG2 3.35Å; Y313-V317 PolarHBondContact O-N 3.44Å; Y313-I369 HydrophobicContact CD1-CD1 4.41Å; Y313-I369 HydrophobicContact CD1-CG1 4.27Å; Y313-I369 HydrophobicContact CD1-CG2 3.85Å; Y313-I369 HydrophobicContact CE1-CG1 4.43Å; Y313-I369 HydrophobicContact CE1-CG2 4.06Å; Y313-I369 HydrophobicContact CG-CG2 4.31Å
314A92.4Very high90Very high15 Ų1536.8 Ų36.812%0.12419%0.193CC..Hα-helixtrans-56.9-39.9-174.300000112.2E58 K318E58-A314 PolarHBondContact OE1-N 3.44Å; A314-K318 WeakPolarHBondContact O-CB 3.21Å; A314-K318 WeakPolarHBondContact O-CD 3.42Å; A314-K318 WeakPolarHBondContact O-CG 3.35Å; A314-K318 PolarHBondContact O-N 2.92Å
315S95.3Very high89.7Confident0 Ų037.2 Ų37.20%020%0.195CC..Hα-helixtrans-67.7-38.7176.9-63.80000111.9E58 F60 Y313 K318 A319E58-S315 VanDerWaalsContact CD-N 3.33Å; E58-S315 VanDerWaalsContact CD-OG 3.28Å; E58-S315 VanDerWaalsContact OE1-CB 3.23Å; E58-S315 WeakPolarHBondContact OE1-CB 3.28Å; E58-S315 PolarHBondContact OE1-N 3.47Å; E58-S315 PolarHBondContact OE1-OG 3.32Å; E58-S315 VanDerWaalsContact OE2-CB 3.24Å; E58-S315 WeakPolarHBondContact OE2-CB 3.46Å; E58-S315 PolarHBondContact OE2-N 3.01Å; E58-S315 PolarHBondContact OE2-OG 3.44Å; F60-S315 WeakPolarHBondContact CD2-OG 3.48Å; Y313-S315 VanDerWaalsContact C-N 3.28Å; Y313-S315 PolarHBondContact O-N 3.4Å; S315-K318 PolarHBondContact O-N 3.46Å; S315-A319 VanDerWaalsContact O-CB 3.27Å; S315-A319 WeakPolarHBondContact O-CB 3.15Å; S315-A319 PolarHBondContact O-N 2.94Å
316A95.7Very high89.6Confident0 Ų033.9 Ų33.90%018%0.181CC..Hα-helixtrans-66.6-42.3177.800000112Y313 A319 L320 L367 I369 E522 Y534Y313-A316 WeakPolarHBondContact O-CB 3.12Å; Y313-A316 PolarHBondContact O-N 2.86Å; Y313-A316 VanDerWaalsContact O-N 3.08Å; A316-A319 PolarHBondContact O-N 3.45Å; A316-L320 WeakPolarHBondContact O-CG 3.46Å; A316-L320 PolarHBondContact O-N 2.97Å; A316-L367 HydrophobicContact CB-CD2 4.11Å; A316-I369 HydrophobicContact CB-CD1 3.79Å; A316-E522 HydrophobicContact CB-CB 4.44Å; A316-E522 HydrophobicContact CB-CG 4.46Å; A316-Y534 HydrophobicContact CB-CE1 4.4Å
317V94.8Very high89.8Confident42 Ų4230.9 Ų30.926%0.25517%0.166SC..Hα-helixtrans-60.1-46.7173.4168.90000110.7Y313 A319 L320 N321 I333Y313-V317 WeakPolarHBondContact O-CG2 3.35Å; Y313-V317 PolarHBondContact O-N 3.44Å; V317-A319 PolarHBondContact O-N 2.56Å; V317-L320 PolarHBondContact O-N 3.13Å; V317-N321 PolarHBondContact O-N 2.8Å; V317-N321 PolarHBondContact O-ND2 2.94Å; V317-N321 VanDerWaalsContact O-ND2 3.08Å; V317-I333 HydrophobicContact CB-CD1 4.08Å; V317-I333 HydrophobicContact CG1-CD1 3.77Å; V317-I333 HydrophobicContact CG2-CD1 3.93Å
318K93.3Very high90.2Very high41 Ų4135.3 Ų35.318%0.17819%0.185CC..Hα-helixtrans-61.9-42.4175.5-70.5167.2-167.11740111.6D74 A314 S315 L320 N321 H322D74-K318 VanDerWaalsContact OD1-CE 3.26Å; D74-K318 WeakPolarHBondContact OD1-CE 3.32Å; D74-K318 IonicContact OD1-NZ 3.54Å; D74-K318 PolarHBondContact OD1-NZ 2.91Å; D74-K318 IonicContact OD2-NZ 2.73Å; D74-K318 PolarHBondContact OD2-NZ 2.86Å; A314-K318 WeakPolarHBondContact O-CB 3.21Å; A314-K318 WeakPolarHBondContact O-CD 3.42Å; A314-K318 WeakPolarHBondContact O-CG 3.35Å; A314-K318 PolarHBondContact O-N 2.92Å; S315-K318 PolarHBondContact O-N 3.46Å; K318-L320 PolarHBondContact O-N 3.02Å; K318-N321 WeakPolarHBondContact O-CB 3.47Å; K318-N321 PolarHBondContact O-N 2.74Å; K318-N321 VanDerWaalsContact O-N 3.15Å; K318-H322 PolarHBondContact O-CD2 3.03Å; K318-H322 PolarHBondContact O-N 3.19Å; K318-H322 PolarHBondContact O-ND1 3.41Å
319A95.3Very high90.6Very high0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-64.2-38.7179.300000112.8S315 A316 V317 A323 E522 S525 Y534S315-A319 VanDerWaalsContact O-CB 3.27Å; S315-A319 WeakPolarHBondContact O-CB 3.15Å; S315-A319 PolarHBondContact O-N 2.94Å; A316-A319 PolarHBondContact O-N 3.45Å; V317-A319 PolarHBondContact O-N 2.56Å; A319-A323 VanDerWaalsContact O-CB 3.29Å; A319-A323 WeakPolarHBondContact O-CB 3.25Å; A319-A323 PolarHBondContact O-N 3.15Å; A319-E522 HydrophobicContact CB-CB 3.97Å; A319-S525 WeakPolarHBondContact CA-OG 3.27Å; A319-Y534 HydrophobicContact CB-CD1 3.64Å; A319-Y534 HydrophobicContact CB-CD2 3.84Å; A319-Y534 HydrophobicContact CB-CE1 3.76Å; A319-Y534 HydrophobicContact CB-CE2 3.94Å; A319-Y534 HydrophobicContact CB-CG 3.69Å
320L96.1Very high91.1Very high1 Ų131.3 Ų31.31%0.00517%0.167CC..Hα-helixtrans-62-45.3170.6-75.1170.4000111.4I300 A316 V317 K318 A323 S324 V331 I333 L367 Y534 L537 I538I300-L320 HydrophobicContact CG1-CD2 4.37Å; I300-L320 HydrophobicContact CG2-CD1 4.24Å; I300-L320 HydrophobicContact CG2-CD2 4.2Å; A316-L320 WeakPolarHBondContact O-CG 3.46Å; A316-L320 PolarHBondContact O-N 2.97Å; V317-L320 PolarHBondContact O-N 3.13Å; K318-L320 PolarHBondContact O-N 3.02Å; L320-A323 PolarHBondContact O-N 2.95Å; L320-S324 VanDerWaalsContact O-CB 3.31Å; L320-S324 WeakPolarHBondContact O-CB 3.41Å; L320-S324 PolarHBondContact O-N 2.93Å; L320-S324 PolarHBondContact O-OG 2.83Å; L320-V331 HydrophobicContact CB-CG1 4.35Å; L320-V331 HydrophobicContact CB-CG2 4.28Å; L320-I333 HydrophobicContact CB-CD1 4.21Å; L320-I333 HydrophobicContact CD1-CD1 3.71Å; L320-I333 HydrophobicContact CD1-CG1 3.97Å; L320-L367 HydrophobicContact CD1-CD2 3.95Å; L320-L367 HydrophobicContact CG-CD2 4.37Å; L320-Y534 HydrophobicContact CD2-CD1 3.79Å; L320-Y534 HydrophobicContact CD2-CE1 4.3Å; L320-Y534 HydrophobicContact CG-CD1 3.79Å; L320-Y534 HydrophobicContact CG-CE1 3.99Å; L320-L537 HydrophobicContact CD2-CD2 4.07Å; L320-I538 HydrophobicContact CD2-CD1 4.09Å
321N92.7Very high92Very high61 Ų6127.1 Ų27.133%0.32614%0.137SC..Hα-helixtrans-60.5-50.3176.4-74.9-45.6000111.4V317 K318 A323 S324 I325 V331V317-N321 PolarHBondContact O-N 2.8Å; V317-N321 PolarHBondContact O-ND2 2.94Å; V317-N321 VanDerWaalsContact O-ND2 3.08Å; K318-N321 WeakPolarHBondContact O-CB 3.47Å; K318-N321 PolarHBondContact O-N 2.74Å; K318-N321 VanDerWaalsContact O-N 3.15Å; N321-A323 VanDerWaalsContact C-N 3.31Å; N321-A323 PolarHBondContact O-N 2.95Å; N321-S324 WeakPolarHBondContact CA-OG 3.41Å; N321-S324 PolarHBondContact O-N 3.41Å; N321-S324 VanDerWaalsContact O-N 3.16Å; N321-S324 PolarHBondContact O-OG 3.49Å; N321-I325 VanDerWaalsContact O-CD1 3.31Å; N321-I325 WeakPolarHBondContact O-CD1 3.41Å; N321-I325 VanDerWaalsContact O-CG1 3.25Å; N321-I325 WeakPolarHBondContact O-CG1 3.39Å; N321-I325 PolarHBondContact O-N 2.95Å; N321-V331 WeakPolarHBondContact OD1-CG1 3.37Å
322H91Very high92.5Very high1 Ų123.9 Ų23.91%0.00513%0.125CC..Hα-helixtrans-55.6-47.4177.3-54.3160000111.4Y250 K318 S324 T326 S525 A526 P530Y250-H322 PolarHBondContact OH-CD2 3.16Å; Y250-H322 PolarHBondContact OH-NE2 3.09Å; K318-H322 PolarHBondContact O-CD2 3.03Å; K318-H322 PolarHBondContact O-N 3.19Å; K318-H322 PolarHBondContact O-ND1 3.41Å; H322-S324 PolarHBondContact O-N 3.17Å; H322-T326 PolarHBondContact O-N 3.25Å; H322-T326 PolarHBondContact O-OG1 3.09Å; H322-S525 PolarHBondContact CE1-O 3.29Å; H322-S525 VanDerWaalsContact CE1-O 3.31Å; H322-S525 PolarHBondContact ND1-O 3.4Å; H322-S525 PolarHBondContact ND1-OG 3.25Å; H322-S525 VanDerWaalsContact ND1-OG 3.09Å; H322-A526 VanDerWaalsContact ND1-C 3.33Å; H322-A526 PolarHBondContact ND1-O 2.83Å; H322-P530 HydrophobicContact CB-CB 3.87Å
323A93.1Very high93Very high0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-62.9-41.3178.400000112.6A319 L320 N321 T326 C327 Y534 V535 I538A319-A323 VanDerWaalsContact O-CB 3.29Å; A319-A323 WeakPolarHBondContact O-CB 3.25Å; A319-A323 PolarHBondContact O-N 3.15Å; L320-A323 PolarHBondContact O-N 2.95Å; N321-A323 VanDerWaalsContact C-N 3.31Å; N321-A323 PolarHBondContact O-N 2.95Å; A323-T326 PolarHBondContact O-N 2.93Å; A323-C327 PolarHBondContact O-N 3.01Å; A323-C327 PolarHBondContact O-SG 3.21Å; A323-Y534 VanDerWaalsContact CB-C 3.49Å; A323-V535 HydrophobicContact CB-CB 4.42Å; A323-V535 HydrophobicContact CB-CG2 3.87Å; A323-I538 HydrophobicContact CB-CG1 3.83Å
324S92.7Very high93.2Very high4 Ų428.2 Ų28.23%0.02814%0.143CC..Hα-helixtrans-64-43.2-179.571.50000112.9L320 N321 H322 T326 C327 H328 R329L320-S324 VanDerWaalsContact O-CB 3.31Å; L320-S324 WeakPolarHBondContact O-CB 3.41Å; L320-S324 PolarHBondContact O-N 2.93Å; L320-S324 PolarHBondContact O-OG 2.83Å; N321-S324 WeakPolarHBondContact CA-OG 3.41Å; N321-S324 PolarHBondContact O-N 3.41Å; N321-S324 VanDerWaalsContact O-N 3.16Å; N321-S324 PolarHBondContact O-OG 3.49Å; H322-S324 PolarHBondContact O-N 3.17Å; S324-T326 VanDerWaalsContact C-N 3.34Å; S324-T326 PolarHBondContact O-N 3.36Å; S324-C327 CarbonylContact O-C 3.56Å; S324-C327 PolarHBondContact O-N 2.87Å; S324-C327 VanDerWaalsContact O-N 3.09Å; S324-H328 PolarHBondContact O-N 3.02Å; S324-H328 VanDerWaalsContact O-N 3.09Å; S324-R329 CarbonylContact C-O 3.53Å; S324-R329 VanDerWaalsContact CB-O 3.25Å; S324-R329 WeakPolarHBondContact CB-O 3.44Å; S324-R329 PolarHBondContact O-N 3.27Å; S324-R329 VanDerWaalsContact O-O 3.05Å; S324-R329 PolarHBondContact OG-O 3.36Å
325I88.4Confident93.4Very high9 Ų929.7 Ų29.75%0.04615%0.151CC..Hα-helixtrans-59.6-49.3176.1-59.7153.1000109.3L287 R290 I291 N321 C327 H328L287-I325 HydrophobicContact CD1-CD1 4.45Å; L287-I325 HydrophobicContact CD1-CG2 3.94Å; R290-I325 HydrophobicContact CB-CG2 4.27Å; R290-I325 PolarHBondContact NH2-O 2.92Å; I291-I325 HydrophobicContact CD1-CD1 3.58Å; I291-I325 HydrophobicContact CD1-CG1 4.45Å; I291-I325 HydrophobicContact CG1-CD1 3.27Å; I291-I325 HydrophobicContact CG1-CG1 3.61Å; N321-I325 VanDerWaalsContact O-CD1 3.31Å; N321-I325 WeakPolarHBondContact O-CD1 3.41Å; N321-I325 VanDerWaalsContact O-CG1 3.25Å; N321-I325 WeakPolarHBondContact O-CG1 3.39Å; N321-I325 PolarHBondContact O-N 2.95Å; I325-C327 PolarHBondContact O-N 3.38Å; I325-H328 PolarHBondContact O-N 3.37Å
326T86.7Confident93.3Very high26 Ų2630.7 Ų30.716%0.1616%0.155CC..Hα-helixtrans-58.4-33.9177.5-67.40000113.1H322 A323 S324 H328 P530 F556H322-T326 PolarHBondContact O-N 3.25Å; H322-T326 PolarHBondContact O-OG1 3.09Å; A323-T326 PolarHBondContact O-N 2.93Å; S324-T326 VanDerWaalsContact C-N 3.34Å; S324-T326 PolarHBondContact O-N 3.36Å; T326-H328 VanDerWaalsContact C-N 3.33Å; T326-P530 HydrophobicContact CG2-CG 4.24Å; T326-P530 WeakPolarHBondContact OG1-CG 3.21Å; T326-F556 HydrophobicContact CG2-CD2 3.5Å; T326-F556 VanDerWaalsContact CG2-CD2 3.5Å; T326-F556 HydrophobicContact CG2-CE2 3.24Å; T326-F556 HydrophobicContact CG2-CG 4.27Å; T326-F556 HydrophobicContact CG2-CZ 3.84Å
327C90.2Very high93.2Very high8 Ų832.2 Ų32.25%0.05416%0.163CC..THydrogen-bonded Turntrans-87.24.1178-58.20000114A323 S324 I325 R329 I538 L539A323-C327 PolarHBondContact O-N 3.01Å; A323-C327 PolarHBondContact O-SG 3.21Å; S324-C327 CarbonylContact O-C 3.56Å; S324-C327 PolarHBondContact O-N 2.87Å; S324-C327 VanDerWaalsContact O-N 3.09Å; I325-C327 PolarHBondContact O-N 3.38Å; C327-R329 HydrophobicContact CB-CG 4.33Å; C327-I538 HydrophobicContact CB-CG2 3.63Å; C327-L539 HydrophobicContact CB-CD2 4.21Å
328H89.3Confident93.1Very high99 Ų9930.6 Ų30.646%0.45815%0.154SC..THydrogen-bonded Turntrans56.449.8-173.5-58.5-89.2000112.6R290 E294 S324 I325 T326R290-H328 VanDerWaalsContact CZ-CE1 3.47Å; R290-H328 PolarHBondContact NH2-CE1 3.18Å; R290-H328 PolarHBondContact NH2-ND1 3.33Å; R290-H328 PolarHBondContact NH2-NE2 3.46Å; E294-H328 IonicContact OE1-ND1 2.75Å; E294-H328 VanDerWaalsContact OE2-C 3.24Å; E294-H328 WeakPolarHBondContact OE2-CA 3.23Å; S324-H328 PolarHBondContact O-N 3.02Å; S324-H328 VanDerWaalsContact O-N 3.09Å; I325-H328 PolarHBondContact O-N 3.37Å; T326-H328 VanDerWaalsContact C-N 3.33Å
329R92.9Very high93Very high50 Ų5029.6 Ų29.619%0.18916%0.155CC..  trans-136.2151.2-179.9-65.5-63.8179-102.86110.5W296 V298 S324 C327 I538 Q544W296-R329 WeakPolarHBondContact O-CA 3.43Å; W296-R329 WeakPolarHBondContact O-CD 3.45Å; V298-R329 HydrophobicContact CB-CB 4.45Å; V298-R329 HydrophobicContact CG1-CB 3.81Å; V298-R329 HydrophobicContact CG1-CG 4.45Å; S324-R329 CarbonylContact C-O 3.53Å; S324-R329 VanDerWaalsContact CB-O 3.25Å; S324-R329 WeakPolarHBondContact CB-O 3.44Å; S324-R329 PolarHBondContact O-N 3.27Å; S324-R329 VanDerWaalsContact O-O 3.05Å; S324-R329 PolarHBondContact OG-O 3.36Å; C327-R329 HydrophobicContact CB-CG 4.33Å; R329-I538 HydrophobicContact CB-CG2 4.44Å; R329-I538 HydrophobicContact CG-CG2 4.47Å; R329-Q544 VanDerWaalsContact NH2-NE2 3.16Å
330N93.6Very high92.7Very high58 Ų5834.9 Ų34.931%0.3118%0.181SC..EExtended strand (participates in β ladder)trans-96.7118.4167.7178.738.9000109.2E294 W296 D297 V298E294-N330 HydrophobicContact CB-CB 4.26Å; W296-N330 PolarHBondContact O-N 3.22Å; D297-N330 CarbonylContact C-O 3.58Å; D297-N330 VanDerWaalsContact CA-O 3.26Å; D297-N330 WeakPolarHBondContact CA-O 3.48Å; D297-N330 PolarHBondContact OD1-ND2 3.21Å; V298-N330 PolarHBondContact N-O 2.83Å
331V95.1Very high92.4Very high12 Ų1235 Ų357%0.07318%0.182CC..EExtended strand (participates in β ladder)trans-84.6126.6-179640000111.6V298 I300 L320 N321 I333 I538V298-V331 HydrophobicContact CG1-CB 4.13Å; V298-V331 HydrophobicContact CG1-CG2 4.32Å; V298-V331 WeakPolarHBondContact O-CA 3.5Å; I300-V331 HydrophobicContact CB-CG2 4.33Å; I300-V331 HydrophobicContact CG1-CG2 3.86Å; L320-V331 HydrophobicContact CB-CG1 4.35Å; L320-V331 HydrophobicContact CB-CG2 4.28Å; N321-V331 WeakPolarHBondContact OD1-CG1 3.37Å; V331-I333 HydrophobicContact CG2-CG1 3.96Å; V331-I538 HydrophobicContact CB-CD1 4.48Å; V331-I538 HydrophobicContact CG2-CD1 4.1Å
332V95.8Very high92.3Very high45 Ų4533.2 Ų33.227%0.27317%0.172SC..EExtended strand (participates in β ladder)trans-106104173179.60000108.5D297 V298 K299 I300D297-V332 HydrophobicContact CB-CG2 4.05Å; V298-V332 PolarHBondContact O-N 3.12Å; K299-V332 CarbonylContact C-O 3.52Å; K299-V332 VanDerWaalsContact CA-O 3.27Å; K299-V332 WeakPolarHBondContact CA-O 3.25Å; K299-V332 HydrophobicContact CG-CB 4.18Å; K299-V332 HydrophobicContact CG-CG1 4.43Å; I300-V332 PolarHBondContact N-O 3.06Å
333I96.1Very high92.3Very high43 Ų4340 Ų4022%0.22120%0.201CC..EExtended strand (participates in β ladder)trans-86.3120.8-177.6-55.3175.7000109.5L302 V317 L320 V331L302-I333 HydrophobicContact CB-CG2 3.76Å; L302-I333 HydrophobicContact CD2-CG2 4.16Å; V317-I333 HydrophobicContact CB-CD1 4.08Å; V317-I333 HydrophobicContact CG1-CD1 3.77Å; V317-I333 HydrophobicContact CG2-CD1 3.93Å; L320-I333 HydrophobicContact CB-CD1 4.21Å; L320-I333 HydrophobicContact CD1-CD1 3.71Å; L320-I333 HydrophobicContact CD1-CG1 3.97Å; V331-I333 HydrophobicContact CG2-CG1 3.96Å
334R96.4Very high92.1Very high77 Ų7740.7 Ų40.729%0.29121%0.206SC..EExtended strand (participates in β ladder)trans-106.8108.2174.5-70.4-167.4177.3171.22.9110.4I300 A301 L302 F336 D362I300-R334 PolarHBondContact O-N 2.99Å; A301-R334 CarbonylContact C-O 3.18Å; A301-R334 WeakPolarHBondContact CA-O 3.12Å; L302-R334 PolarHBondContact N-O 3.42Å; R334-F336 HydrophobicContact CB-CE2 3.76Å; R334-F336 HydrophobicContact CB-CZ 4.32Å; R334-F336 VanDerWaalsContact O-CD2 3.26Å; R334-F336 WeakPolarHBondContact O-CD2 3.18Å; R334-F336 WeakPolarHBondContact O-CE2 3.47Å; R334-D362 IonicContact CZ-OD2 3.56Å; R334-D362 IonicContact NH1-OD2 2.71Å; R334-D362 PolarHBondContact NH1-OD2 2.82Å; R334-D362 IonicContact NH2-OD2 3.51Å; R334-D362 PolarHBondContact NH2-OD2 2.78Å
335P96.2Very high91.8Very high46 Ų4642.7 Ų42.730%0.29922%0.218SC..EExtended strand (participates in β ladder)trans-76.5133.9-179.929.6-33.5000111.6A307 H308A307-P335 HydrophobicContact CB-CB 3.89Å; A307-P335 VanDerWaalsContact O-CB 3.25Å; A307-P335 WeakPolarHBondContact O-CB 3.25Å; H308-P335 PolarHBondContact CE1-O 2.8Å; H308-P335 VanDerWaalsContact CE1-O 3.25Å; H308-P335 WeakPolarHBondContact ND1-CG 3.44Å
336F95Very high91.8Very high21 Ų2151.4 Ų51.49%0.09225%0.25CC..EExtended strand (participates in β ladder)trans-129.4120.2170.7-61.5-90.8000109.8A301 L302 I303 A304 A307 R334 C338 L341 Q359 V360A301-F336 HydrophobicContact CB-CD2 3.91Å; A301-F336 HydrophobicContact CB-CE2 3.77Å; L302-F336 PolarHBondContact O-N 2.68Å; I303-F336 HydrophobicContact CD1-CB 3.61Å; I303-F336 HydrophobicContact CD1-CD2 3.79Å; I303-F336 HydrophobicContact CD1-CG 4Å; A304-F336 PolarHBondContact N-O 3.29Å; A307-F336 WeakPolarHBondContact CB-O 3.41Å; R334-F336 HydrophobicContact CB-CE2 3.76Å; R334-F336 HydrophobicContact CB-CZ 4.32Å; R334-F336 VanDerWaalsContact O-CD2 3.26Å; R334-F336 WeakPolarHBondContact O-CD2 3.18Å; R334-F336 WeakPolarHBondContact O-CE2 3.47Å; F336-C338 PolarHBondContact O-N 2.92Å; F336-L341 HydrophobicContact CB-CD2 4.49Å; F336-Q359 HydrophobicContact CE1-CB 3.91Å; F336-Q359 HydrophobicContact CZ-CB 4.05Å; F336-V360 HydrophobicContact CD1-CG2 3.91Å; F336-V360 HydrophobicContact CD2-CG2 4.28Å; F336-V360 HydrophobicContact CE1-CG2 3.75Å; F336-V360 HydrophobicContact CE2-CG2 4.13Å; F336-V360 HydrophobicContact CG-CG2 4.18Å; F336-V360 HydrophobicContact CZ-CG2 3.87Å
337D93.2Very high91.8Very high32 Ų3253.6 Ų53.617%0.17127%0.266CS..EExtended strand (participates in β ladder)trans-71.2122.8177.3-174.2-84000111.2A304 L306 G339 M340 L341A304-D337 WeakPolarHBondContact O-CA 3.3Å; L306-D337 PolarHBondContact N-OD2 2.79Å; D337-G339 VanDerWaalsContact C-N 3.26Å; D337-G339 PolarHBondContact O-N 3.04Å; D337-G339 VanDerWaalsContact OD1-CA 3.22Å; D337-G339 WeakPolarHBondContact OD1-CA 3.28Å; D337-G339 PolarHBondContact OD1-N 3.39Å; D337-M340 HydrophobicContact CB-CB 4.2Å; D337-M340 HydrophobicContact CB-CG 4.02Å; D337-M340 PolarHBondContact O-N 3.03Å; D337-M340 VanDerWaalsContact O-N 3.12Å; D337-M340 PolarHBondContact OD1-N 3.48Å; D337-L341 PolarHBondContact O-N 2.98Å
338C92.3Very high91.3Very high8 Ų856.2 Ų56.25%0.05430%0.295CS..Hα-helixtrans-63.3-31.2-178.466.40000112.9I303 A304 F336 L341 H342 G379 K380I303-C338 HydrophobicContact CG2-CB 4.24Å; A304-C338 PolarHBondContact O-N 3.42Å; F336-C338 PolarHBondContact O-N 2.92Å; C338-L341 PolarHBondContact O-N 3.05Å; C338-H342 PolarHBondContact O-N 2.93Å; C338-G379 VanDerWaalsContact O-CA 3.29Å; C338-G379 WeakPolarHBondContact O-CA 3.42Å; C338-K380 HydrophobicContact CB-CG 3.98Å
339G90.2Very high91.2Very high20 Ų2055.5 Ų55.521%0.20629%0.294CS..Hα-helixtrans-65.7-39.517500000111.8D337 K343D337-G339 VanDerWaalsContact C-N 3.26Å; D337-G339 PolarHBondContact O-N 3.04Å; D337-G339 VanDerWaalsContact OD1-CA 3.22Å; D337-G339 WeakPolarHBondContact OD1-CA 3.28Å; D337-G339 PolarHBondContact OD1-N 3.39Å; G339-K343 WeakPolarHBondContact O-CG 3.43Å; G339-K343 PolarHBondContact O-N 2.75Å
340M89.3Confident91Very high111 Ų11156.8 Ų56.855%0.54732%0.315SS..Hα-helixtrans-67.4-44.4174-67.2-58.3-159.100112.1D337 H342 K343 V344D337-M340 HydrophobicContact CB-CB 4.2Å; D337-M340 HydrophobicContact CB-CG 4.02Å; D337-M340 PolarHBondContact O-N 3.03Å; D337-M340 VanDerWaalsContact O-N 3.12Å; D337-M340 PolarHBondContact OD1-N 3.48Å; M340-H342 PolarHBondContact O-N 2.82Å; M340-K343 PolarHBondContact O-N 3.45Å; M340-K343 VanDerWaalsContact O-N 3.11Å; M340-K343 HydrophobicContact SD-CD 4.36Å; M340-V344 WeakPolarHBondContact O-CG2 3.49Å; M340-V344 PolarHBondContact O-N 2.83Å
341L90Very high90.8Very high3 Ų361 Ų612%0.01633%0.331CS..Hα-helixtrans-52.5-44.6175.5-67.8178.8000111.8I303 F336 D337 C338 T345 M356 A383I303-L341 HydrophobicContact CD1-CD1 4.26Å; I303-L341 HydrophobicContact CG2-CD1 3.63Å; F336-L341 HydrophobicContact CB-CD2 4.49Å; D337-L341 PolarHBondContact O-N 2.98Å; C338-L341 PolarHBondContact O-N 3.05Å; L341-T345 WeakPolarHBondContact O-CB 3.21Å; L341-T345 PolarHBondContact O-N 3.23Å; L341-T345 PolarHBondContact O-OG1 3.13Å; L341-M356 HydrophobicContact CD2-CE 3.67Å; L341-M356 HydrophobicContact CD2-CG 3.96Å; L341-M356 HydrophobicContact CD2-SD 3.49Å; L341-M356 WeakPolarHBondContact CD2-SD 3.46Å; L341-M356 HydrophobicContact CG-SD 4.5Å; L341-A383 HydrophobicContact CD1-CB 4.33Å
342H91.3Very high90.6Very high25 Ų2565.1 Ų65.112%0.11635%0.351CS..Hα-helixtrans-68.7-44.2177.9178.8-112.4000112.8C338 M340 R346 E378C338-H342 PolarHBondContact O-N 2.93Å; M340-H342 PolarHBondContact O-N 2.82Å; H342-R346 PolarHBondContact CE1-NE 3.16Å; H342-R346 PolarHBondContact NE2-NE 3.23Å; H342-R346 VanDerWaalsContact NE2-NE 3.1Å; H342-R346 PolarHBondContact O-N 3.19Å; H342-R346 VanDerWaalsContact O-N 3.1Å; H342-E378 WeakPolarHBondContact CD2-CB 3.44Å
343K90.9Very high90.2Very high142 Ų14264.5 Ų64.562%0.61735%0.347SS*.Hα-helixtrans-62.9-47.9179.7-77.4177.3-179.7-179.20112.1G339 M340 R346 S347G339-K343 WeakPolarHBondContact O-CG 3.43Å; G339-K343 PolarHBondContact O-N 2.75Å; M340-K343 PolarHBondContact O-N 3.45Å; M340-K343 VanDerWaalsContact O-N 3.11Å; M340-K343 HydrophobicContact SD-CD 4.36Å; K343-R346 PolarHBondContact O-N 2.7Å; K343-S347 PolarHBondContact O-N 2.9Å
344V87.8Confident90Very high16 Ų1668.2 Ų68.210%0.09736%0.363CS..Hα-helixtrans-63.2-46.7-179.4174.20000110.1M340 R346 S347 M352 V353 M356M340-V344 WeakPolarHBondContact O-CG2 3.49Å; M340-V344 PolarHBondContact O-N 2.83Å; V344-R346 PolarHBondContact O-N 3.36Å; V344-S347 WeakPolarHBondContact O-CB 3.08Å; V344-S347 PolarHBondContact O-N 2.95Å; V344-S347 PolarHBondContact O-OG 3.26Å; V344-M352 HydrophobicContact CG1-CB 4.26Å; V344-M352 HydrophobicContact CG1-CG 3.8Å; V344-M352 HydrophobicContact CG1-SD 4.12Å; V344-M352 HydrophobicContact CG2-CE 3.81Å; V344-M352 HydrophobicContact CG2-SD 4.16Å; V344-V353 HydrophobicContact CG1-CG2 3.96Å; V344-V353 VanDerWaalsContact O-CG2 3.28Å; V344-V353 WeakPolarHBondContact O-CG2 3.39Å; V344-M356 HydrophobicContact CB-CE 4.35Å; V344-M356 HydrophobicContact CB-SD 3.71Å; V344-M356 HydrophobicContact CG1-CB 4.5Å; V344-M356 HydrophobicContact CG1-CE 4.26Å; V344-M356 HydrophobicContact CG1-SD 3.83Å; V344-M356 HydrophobicContact CG2-SD 4.09Å
345T88Confident89.9Confident46 Ų4668.2 Ų68.228%0.28237%0.369SS..Hα-helixtrans-59.5-32.7177-53.80000112.6L341 L382L341-T345 WeakPolarHBondContact O-CB 3.21Å; L341-T345 PolarHBondContact O-N 3.23Å; L341-T345 PolarHBondContact O-OG1 3.13Å; T345-L382 HydrophobicContact CG2-CD1 3.95Å; T345-L382 HydrophobicContact CG2-CD2 4.38Å
346R88.4Confident89.7Confident192 Ų19267.1 Ų67.173%0.72536%0.36SS*.Hα-helixtrans-80.3-22175.4-81.7-168.3166.3-170.2-1.6114.9H342 K343 V344 G348H342-R346 PolarHBondContact CE1-NE 3.16Å; H342-R346 PolarHBondContact NE2-NE 3.23Å; H342-R346 VanDerWaalsContact NE2-NE 3.1Å; H342-R346 PolarHBondContact O-N 3.19Å; H342-R346 VanDerWaalsContact O-N 3.1Å; K343-R346 PolarHBondContact O-N 2.7Å; V344-R346 PolarHBondContact O-N 3.36Å; R346-G348 PolarHBondContact O-N 2.95Å
347S85.6Confident89.7Confident71 Ų7167.4 Ų67.450%0.49736%0.361SS..Hα-helixtrans-64-24-177.471.90000113K343 V344 D349K343-S347 PolarHBondContact O-N 2.9Å; V344-S347 WeakPolarHBondContact O-CB 3.08Å; V344-S347 PolarHBondContact O-N 2.95Å; V344-S347 PolarHBondContact O-OG 3.26Å; S347-D349 PolarHBondContact O-N 3.34Å; S347-D349 PolarHBondContact OG-N 3.21Å
348G80.4Confident89.8Confident64 Ų6469.6 Ų69.666%0.6637%0.372SS*.  trans75.3-1.5-179.100000114.4R346 A350R346-G348 PolarHBondContact O-N 2.95Å; G348-A350 PolarHBondContact O-N 2.82Å
349D87.8Confident89.9Confident83 Ų8374.3 Ų74.344%0.44439%0.394SS..  trans-69.597.8172.1-174.7-20.2000109.4S347 K351 M352 V353S347-D349 PolarHBondContact O-N 3.34Å; S347-D349 PolarHBondContact OG-N 3.21Å; D349-K351 PolarHBondContact O-N 2.91Å; D349-K351 PolarHBondContact OD1-N 2.64Å; D349-K351 VanDerWaalsContact OD1-N 3.13Å; D349-M352 HydrophobicContact CB-CB 4Å; D349-M352 PolarHBondContact O-N 2.86Å; D349-M352 PolarHBondContact OD1-N 3.41Å; D349-V353 VanDerWaalsContact O-CG2 3.28Å; D349-V353 WeakPolarHBondContact O-CG2 3.36Å; D349-V353 PolarHBondContact O-N 3.26Å
350A87.6Confident90.1Very high77 Ų7773.4 Ų73.464%0.63638%0.384SS*.Hα-helixtrans-54.4-37.9-175.300000112.4G348 E354G348-A350 PolarHBondContact O-N 2.82Å; A350-E354 VanDerWaalsContact O-CB 3.28Å; A350-E354 WeakPolarHBondContact O-CB 3.4Å; A350-E354 PolarHBondContact O-N 2.81Å
351K90.5Very high90.3Very high146 Ų14673.9 Ų73.964%0.63538%0.383SS*.Hα-helixtrans-70.7-47.3-178.3-173.6177.7178.9-179.30111.1D349 V353 E354 D355D349-K351 PolarHBondContact O-N 2.91Å; D349-K351 PolarHBondContact OD1-N 2.64Å; D349-K351 VanDerWaalsContact OD1-N 3.13Å; K351-V353 VanDerWaalsContact C-N 3.3Å; K351-V353 PolarHBondContact O-N 3.3Å; K351-E354 PolarHBondContact O-N 3.41Å; K351-D355 WeakPolarHBondContact O-CB 3.46Å; K351-D355 VanDerWaalsContact O-CG 3.26Å; K351-D355 PolarHBondContact O-N 3.22Å
352M89.4Confident90.6Very high100 Ų10077.2 Ų77.249%0.49340%0.401SS..Hα-helixtrans-64-37.2179.2-165.5-176-173.400112.1V344 D349 M356V344-M352 HydrophobicContact CG1-CB 4.26Å; V344-M352 HydrophobicContact CG1-CG 3.8Å; V344-M352 HydrophobicContact CG1-SD 4.12Å; V344-M352 HydrophobicContact CG2-CE 3.81Å; V344-M352 HydrophobicContact CG2-SD 4.16Å; D349-M352 HydrophobicContact CB-CB 4Å; D349-M352 PolarHBondContact O-N 2.86Å; D349-M352 PolarHBondContact OD1-N 3.41Å; M352-M356 WeakPolarHBondContact O-CB 3.36Å; M352-M356 PolarHBondContact O-N 3.25Å; M352-M356 VanDerWaalsContact O-N 3.17Å
353V88.8Confident90.9Very high31 Ų3176.3 Ų76.319%0.18840%0.397CS..Hα-helixtrans-65-48.2175.41740000110.7V344 D349 K351 M356 W357V344-V353 HydrophobicContact CG1-CG2 3.96Å; V344-V353 VanDerWaalsContact O-CG2 3.28Å; V344-V353 WeakPolarHBondContact O-CG2 3.39Å; D349-V353 VanDerWaalsContact O-CG2 3.28Å; D349-V353 WeakPolarHBondContact O-CG2 3.36Å; D349-V353 PolarHBondContact O-N 3.26Å; K351-V353 VanDerWaalsContact C-N 3.3Å; K351-V353 PolarHBondContact O-N 3.3Å; V353-M356 PolarHBondContact O-N 3.34Å; V353-W357 PolarHBondContact O-N 2.79Å; V353-W357 VanDerWaalsContact O-N 3.08Å
354E91.6Very high91.3Very high121 Ų12173.5 Ų73.557%0.56539%0.386SS*.Hα-helixtrans-61.7-48178.8-177.6171.6-170.200111.7A350 K351 M356 W357 N358A350-E354 VanDerWaalsContact O-CB 3.28Å; A350-E354 WeakPolarHBondContact O-CB 3.4Å; A350-E354 PolarHBondContact O-N 2.81Å; K351-E354 PolarHBondContact O-N 3.41Å; E354-M356 VanDerWaalsContact C-N 3.3Å; E354-M356 PolarHBondContact O-N 2.64Å; E354-W357 PolarHBondContact O-N 3.49Å; E354-N358 WeakPolarHBondContact CG-ND2 3.39Å; E354-N358 VanDerWaalsContact O-CB 3.25Å; E354-N358 WeakPolarHBondContact O-CB 3.32Å; E354-N358 PolarHBondContact O-N 2.84Å; E354-N358 PolarHBondContact O-ND2 2.89Å
355D92.9Very high91.7Very high78 Ų7872.7 Ų72.742%0.41738%0.381SS..Hα-helixtrans-58.5-40.8178.9-73.5-19.4000112.3K351 Q359K351-D355 WeakPolarHBondContact O-CB 3.46Å; K351-D355 VanDerWaalsContact O-CG 3.26Å; K351-D355 PolarHBondContact O-N 3.22Å; D355-Q359 WeakPolarHBondContact O-CG 3.35Å; D355-Q359 PolarHBondContact O-N 3.06Å; D355-Q359 PolarHBondContact O-NE2 3.48Å
356M92.6Very high92.2Very high22 Ų2270.5 Ų70.511%0.10837%0.368CS..Hα-helixtrans-68.8-47.7179.1-178.1-16673.600112L341 V344 M352 V353 E354 N358 Q359 V360L341-M356 HydrophobicContact CD2-CE 3.67Å; L341-M356 HydrophobicContact CD2-CG 3.96Å; L341-M356 HydrophobicContact CD2-SD 3.49Å; L341-M356 WeakPolarHBondContact CD2-SD 3.46Å; L341-M356 HydrophobicContact CG-SD 4.5Å; V344-M356 HydrophobicContact CB-CE 4.35Å; V344-M356 HydrophobicContact CB-SD 3.71Å; V344-M356 HydrophobicContact CG1-CB 4.5Å; V344-M356 HydrophobicContact CG1-CE 4.26Å; V344-M356 HydrophobicContact CG1-SD 3.83Å; V344-M356 HydrophobicContact CG2-SD 4.09Å; M352-M356 WeakPolarHBondContact O-CB 3.36Å; M352-M356 PolarHBondContact O-N 3.25Å; M352-M356 VanDerWaalsContact O-N 3.17Å; V353-M356 PolarHBondContact O-N 3.34Å; E354-M356 VanDerWaalsContact C-N 3.3Å; E354-M356 PolarHBondContact O-N 2.64Å; M356-N358 VanDerWaalsContact C-N 3.32Å; M356-Q359 WeakPolarHBondContact O-CB 3.34Å; M356-Q359 PolarHBondContact O-N 3.3Å; M356-V360 PolarHBondContact O-N 3.29Å
357W94.7Very high92.7Very high28 Ų2861.4 Ų61.411%0.10633%0.334CS..Hα-helixtrans-71.4-28.2179.3-73.5112.2000112.5V353 E354 Q359 V360 K361 L382 A383 F386V353-W357 PolarHBondContact O-N 2.79Å; V353-W357 VanDerWaalsContact O-N 3.08Å; E354-W357 PolarHBondContact O-N 3.49Å; W357-Q359 VanDerWaalsContact C-N 3.34Å; W357-V360 HydrophobicContact CE3-CB 4.2Å; W357-V360 HydrophobicContact CE3-CG1 4.33Å; W357-V360 HydrophobicContact CE3-CG2 4.27Å; W357-V360 HydrophobicContact CZ3-CG1 4.4Å; W357-V360 PolarHBondContact O-N 3.08Å; W357-K361 WeakPolarHBondContact O-CB 3.46Å; W357-K361 PolarHBondContact O-N 2.86Å; W357-L382 HydrophobicContact CH2-CB 3.94Å; W357-L382 HydrophobicContact CZ2-CB 3.87Å; W357-A383 HydrophobicContact CH2-CB 4.46Å; W357-F386 HydrophobicContact CB-CE2 3.92Å; W357-F386 HydrophobicContact CB-CZ 4.19Å; W357-F386 AromaticContact CD2-CD2 3.94Å; W357-F386 HydrophobicContact CD2-CD2 3.94Å; W357-F386 HydrophobicContact CD2-CE2 4.19Å; W357-F386 HydrophobicContact CD2-CG 4.29Å; W357-F386 HydrophobicContact CE3-CB 3.87Å; W357-F386 AromaticContact CE3-CD1 3.74Å; W357-F386 HydrophobicContact CE3-CD1 3.74Å; W357-F386 AromaticContact CE3-CD2 3.49Å; W357-F386 HydrophobicContact CE3-CD2 3.49Å; W357-F386 VanDerWaalsContact CE3-CD2 3.49Å; W357-F386 HydrophobicContact CE3-CE1 4.11Å; W357-F386 AromaticContact CE3-CE2 3.89Å; W357-F386 HydrophobicContact CE3-CE2 3.89Å; W357-F386 AromaticContact CE3-CG 3.4Å; W357-F386 HydrophobicContact CE3-CG 3.4Å; W357-F386 VanDerWaalsContact CE3-CG 3.4Å; W357-F386 HydrophobicContact CE3-CZ 4.18Å; W357-F386 HydrophobicContact CG-CD2 4.39Å; W357-F386 HydrophobicContact CG-CE2 4.23Å; W357-F386 HydrophobicContact CH2-CB 4.11Å; W357-F386 HydrophobicContact CZ3-CB 3.48Å; W357-F386 VanDerWaalsContact CZ3-CB 3.48Å; W357-F386 AromaticContact CZ3-CD1 3.96Å; W357-F386 HydrophobicContact CZ3-CD1 3.96Å; W357-F386 HydrophobicContact CZ3-CD2 4.04Å; W357-F386 AromaticContact CZ3-CG 3.56Å; W357-F386 HydrophobicContact CZ3-CG 3.56Å
358N94.8Very high93.3Very high77 Ų7758 Ų5841%0.41231%0.31SS..Hα-helixtrans-64.2-38.2170.5-77.3-23.5000111.8E354 M356 V360 K361 D362E354-N358 WeakPolarHBondContact CG-ND2 3.39Å; E354-N358 VanDerWaalsContact O-CB 3.25Å; E354-N358 WeakPolarHBondContact O-CB 3.32Å; E354-N358 PolarHBondContact O-N 2.84Å; E354-N358 PolarHBondContact O-ND2 2.89Å; M356-N358 VanDerWaalsContact C-N 3.32Å; N358-V360 VanDerWaalsContact C-N 3.34Å; N358-V360 PolarHBondContact O-N 3.44Å; N358-K361 PolarHBondContact O-N 3.03Å; N358-D362 PolarHBondContact O-N 2.98Å
359Q94.7Very high94.1Very high108 Ų10855 Ų5551%0.50528%0.279SS..Hα-helixtrans-64.8-37.7173.2-72.1171.86000112.7F336 D355 M356 W357F336-Q359 HydrophobicContact CE1-CB 3.91Å; F336-Q359 HydrophobicContact CZ-CB 4.05Å; D355-Q359 WeakPolarHBondContact O-CG 3.35Å; D355-Q359 PolarHBondContact O-N 3.06Å; D355-Q359 PolarHBondContact O-NE2 3.48Å; M356-Q359 WeakPolarHBondContact O-CB 3.34Å; M356-Q359 PolarHBondContact O-N 3.3Å; W357-Q359 VanDerWaalsContact C-N 3.34Å
360V94.5Very high94.3Very high0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-67.3-39.7173.8177.50000110.4F336 M356 W357 N358 D362 C363 M366 F386F336-V360 HydrophobicContact CD1-CG2 3.91Å; F336-V360 HydrophobicContact CD2-CG2 4.28Å; F336-V360 HydrophobicContact CE1-CG2 3.75Å; F336-V360 HydrophobicContact CE2-CG2 4.13Å; F336-V360 HydrophobicContact CG-CG2 4.18Å; F336-V360 HydrophobicContact CZ-CG2 3.87Å; M356-V360 PolarHBondContact O-N 3.29Å; W357-V360 HydrophobicContact CE3-CB 4.2Å; W357-V360 HydrophobicContact CE3-CG1 4.33Å; W357-V360 HydrophobicContact CE3-CG2 4.27Å; W357-V360 HydrophobicContact CZ3-CG1 4.4Å; W357-V360 PolarHBondContact O-N 3.08Å; N358-V360 VanDerWaalsContact C-N 3.34Å; N358-V360 PolarHBondContact O-N 3.44Å; V360-D362 VanDerWaalsContact C-N 3.31Å; V360-D362 PolarHBondContact O-N 3.46Å; V360-C363 VanDerWaalsContact O-CB 3.28Å; V360-C363 WeakPolarHBondContact O-CB 3.48Å; V360-C363 PolarHBondContact O-N 3.17Å; V360-C363 VanDerWaalsContact O-N 3.08Å; V360-M366 HydrophobicContact CG1-CE 3.65Å; V360-F386 HydrophobicContact CB-CE1 4.42Å; V360-F386 HydrophobicContact CG1-CD1 4.07Å; V360-F386 HydrophobicContact CG1-CE1 4.07Å
361K94.6Very high94.2Very high122 Ų12248.4 Ų48.453%0.5323%0.234SC..Hα-helixtrans-67.3-27177.9-163.4176.9177.9179.80113.7W357 N358 C363 F386W357-K361 WeakPolarHBondContact O-CB 3.46Å; W357-K361 PolarHBondContact O-N 2.86Å; N358-K361 PolarHBondContact O-N 3.03Å; K361-C363 PolarHBondContact O-N 3.25Å; K361-F386 HydrophobicContact CB-CE1 4.19Å; K361-F386 HydrophobicContact CB-CZ 4.01Å; K361-F386 HydrophobicContact CG-CZ 4.39Å
362D96.3Very high93.8Very high73 Ų7342.9 Ų42.939%0.3921%0.209SC..THydrogen-bonded Turntrans-69.6-8171.6-176.654.8000112.8K299 R334 N358 V360K299-D362 VanDerWaalsContact CD-O 3.32Å; K299-D362 WeakPolarHBondContact CD-O 3.47Å; K299-D362 VanDerWaalsContact NZ-CG 3.28Å; K299-D362 IonicContact NZ-OD1 3.36Å; K299-D362 PolarHBondContact NZ-OD1 2.89Å; K299-D362 IonicContact NZ-OD2 2.68Å; K299-D362 PolarHBondContact NZ-OD2 2.84Å; R334-D362 IonicContact CZ-OD2 3.56Å; R334-D362 IonicContact NH1-OD2 2.71Å; R334-D362 PolarHBondContact NH1-OD2 2.82Å; R334-D362 IonicContact NH2-OD2 3.51Å; R334-D362 PolarHBondContact NH2-OD2 2.78Å; N358-D362 PolarHBondContact O-N 2.98Å; V360-D362 VanDerWaalsContact C-N 3.31Å; V360-D362 PolarHBondContact O-N 3.46Å
363C97.6Very high93.5Very high5 Ų542.6 Ų42.63%0.03420%0.202CC..SBendtrans-87.7144.4172.3-56.60000110.8K299 A301 V360 K361K299-C363 HydrophobicContact CB-CB 4.41Å; A301-C363 HydrophobicContact CB-CB 3.91Å; V360-C363 VanDerWaalsContact O-CB 3.28Å; V360-C363 WeakPolarHBondContact O-CB 3.48Å; V360-C363 PolarHBondContact O-N 3.17Å; V360-C363 VanDerWaalsContact O-N 3.08Å; K361-C363 PolarHBondContact O-N 3.25Å
364H97.8Very high93.3Very high83 Ų8342 Ų4238%0.38420%0.197SC..SBendtrans-85.1-15.1-179.1-47.2103.3000113.1V298 K299 P393 A541V298-H364 HydrophobicContact CG2-CB 4.39Å; K299-H364 PolarHBondContact N-ND1 3.06Å; K299-H364 PolarHBondContact O-N 3.03Å; H364-P393 WeakPolarHBondContact O-CD 3.17Å; H364-A541 HydrophobicContact CB-CB 3.95Å; H364-A541 VanDerWaalsContact CB-O 3.31Å; H364-A541 WeakPolarHBondContact CB-O 3.48Å; H364-A541 WeakPolarHBondContact O-CA 3.48Å; H364-A541 WeakPolarHBondContact O-CB 3.23Å
365G98.1Very high92.8Very high0 Ų041.3 Ų41.30%020%0.196CC..EExtended strand (participates in β ladder)trans-158.3170.5177.200000111.4K299 I300 A301 P393K299-G365 PolarHBondContact O-N 2.87Å; I300-G365 WeakPolarHBondContact CA-O 3.33Å; A301-G365 PolarHBondContact N-O 3.42Å; G365-P393 CarbonylContact C-O 3.59Å; G365-P393 WeakPolarHBondContact CA-O 3.4Å
366M98.3Very high92.5Very high0 Ų041.4 Ų41.40%020%0.197CC..EExtended strand (participates in β ladder)trans-138.7130.5-172.6-168.2-177.5-50.800111.1A301 I303 V360 V368 A383 F386 A387 I392 P393 L394 L395A301-M366 HydrophobicContact CB-CG 4.2Å; A301-M366 WeakPolarHBondContact O-CA 3.47Å; I303-M366 HydrophobicContact CD1-CG 4.41Å; I303-M366 HydrophobicContact CG1-CG 3.67Å; I303-M366 HydrophobicContact CG1-SD 3.86Å; V360-M366 HydrophobicContact CG1-CE 3.65Å; M366-V368 HydrophobicContact CG-CG2 4.03Å; M366-V368 HydrophobicContact SD-CG2 3.9Å; M366-A383 HydrophobicContact SD-CB 3.86Å; M366-F386 HydrophobicContact CE-CD1 4.34Å; M366-A387 HydrophobicContact CE-CB 3.83Å; M366-A387 HydrophobicContact SD-CB 4.12Å; M366-I392 HydrophobicContact CB-CG2 4.4Å; M366-P393 PolarHBondContact N-O 2.96Å; M366-L394 HydrophobicContact CB-CD1 3.85Å; M366-L394 HydrophobicContact CG-CD1 3.84Å; M366-L394 WeakPolarHBondContact O-CA 3.37Å; M366-L394 HydrophobicContact SD-CD1 3.73Å; M366-L395 PolarHBondContact O-N 2.88Å
367L98.5Very high92.5Very high0 Ų040.5 Ų40.50%019%0.193CC..EExtended strand (participates in β ladder)trans-111.3110.9170.7174.658.7000108.5I300 A301 L302 I303 A316 L320 I369 L395 V397 Y534 L537I300-L367 HydrophobicContact CG2-CB 4.23Å; A301-L367 PolarHBondContact O-N 3.08Å; L302-L367 HydrophobicContact CD1-CB 4.45Å; L302-L367 HydrophobicContact CD1-CD2 3.93Å; L302-L367 HydrophobicContact CD1-CG 4.09Å; I303-L367 PolarHBondContact N-O 3.29Å; A316-L367 HydrophobicContact CB-CD2 4.11Å; L320-L367 HydrophobicContact CD1-CD2 3.95Å; L320-L367 HydrophobicContact CG-CD2 4.37Å; L367-I369 HydrophobicContact CD1-CB 4.32Å; L367-I369 HydrophobicContact CG-CB 4.29Å; L367-I369 HydrophobicContact CG-CG2 4.25Å; L367-L395 WeakPolarHBondContact CA-O 3.47Å; L367-L395 HydrophobicContact CD1-CB 4.06Å; L367-L395 HydrophobicContact CD1-CD2 4.03Å; L367-L395 HydrophobicContact CD1-CG 3.99Å; L367-L395 WeakPolarHBondContact CD1-O 3.49Å; L367-V397 HydrophobicContact CD1-CG2 3.92Å; L367-Y534 HydrophobicContact CD1-CE1 4.41Å; L367-Y534 HydrophobicContact CD2-CE1 3.7Å; L367-L537 HydrophobicContact CB-CD2 4.26Å
368V98.1Very high92.5Very high0 Ų041.3 Ų41.30%020%0.198CC..EExtended strand (participates in β ladder)trans-101.8107.6174.2-177.10000108.1I303 M366 K380 A383 L394 L395 A396 V397I303-V368 HydrophobicContact CB-CB 4.5Å; I303-V368 HydrophobicContact CB-CG2 3.98Å; I303-V368 HydrophobicContact CG1-CG2 4.08Å; I303-V368 WeakPolarHBondContact O-CA 3.45Å; M366-V368 HydrophobicContact CG-CG2 4.03Å; M366-V368 HydrophobicContact SD-CG2 3.9Å; V368-K380 HydrophobicContact CG1-CB 3.77Å; V368-K380 HydrophobicContact CG1-CD 3.9Å; V368-K380 HydrophobicContact CG1-CG 3.7Å; V368-A383 HydrophobicContact CG2-CB 4.28Å; V368-L394 HydrophobicContact CB-CD1 4.43Å; V368-L394 HydrophobicContact CG2-CD1 3.55Å; V368-L395 PolarHBondContact N-O 3.44Å; V368-A396 HydrophobicContact CB-CB 4.38Å; V368-A396 CarbonylContact O-C 3.02Å; V368-A396 VanDerWaalsContact O-CA 3.28Å; V368-A396 WeakPolarHBondContact O-CA 3.25Å; V368-V397 PolarHBondContact O-N 3Å
369I96.3Very high92.5Very high2 Ų237.7 Ų37.71%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-131.4153.4-172.3-174.9162.7000111.1L302 I303 A304 Y313 A316 L367 K380 V397 E522L302-I369 HydrophobicContact CD1-CG2 3.51Å; I303-I369 PolarHBondContact O-N 2.97Å; I303-I369 VanDerWaalsContact O-N 3.12Å; A304-I369 HydrophobicContact CB-CG2 3.95Å; A304-I369 WeakPolarHBondContact CB-O 3.26Å; Y313-I369 HydrophobicContact CD1-CD1 4.41Å; Y313-I369 HydrophobicContact CD1-CG1 4.27Å; Y313-I369 HydrophobicContact CD1-CG2 3.85Å; Y313-I369 HydrophobicContact CE1-CG1 4.43Å; Y313-I369 HydrophobicContact CE1-CG2 4.06Å; Y313-I369 HydrophobicContact CG-CG2 4.31Å; A316-I369 HydrophobicContact CB-CD1 3.79Å; L367-I369 HydrophobicContact CD1-CB 4.32Å; L367-I369 HydrophobicContact CG-CB 4.29Å; L367-I369 HydrophobicContact CG-CG2 4.25Å; I369-K380 WeakPolarHBondContact O-CE 3.49Å; I369-K380 PolarHBondContact O-NZ 3.38Å; I369-V397 HydrophobicContact CB-CB 4.23Å; I369-V397 HydrophobicContact CD1-CB 4.14Å; I369-V397 HydrophobicContact CD1-CG1 4.07Å; I369-V397 HydrophobicContact CG1-CB 3.91Å; I369-V397 HydrophobicContact CG1-CG1 4.1Å; I369-E522 WeakPolarHBondContact CD1-OE1 3.4Å
370G91.9Very high92.6Very high3 Ų332.6 Ų32.63%0.03116%0.155CC..EExtended strand (participates in β ladder)trans174.1-163.5165.400000113E374 S398 S399 H520G370-E374 WeakPolarHBondContact CA-OE1 3.33Å; G370-S398 WeakPolarHBondContact O-CB 3.15Å; G370-S398 PolarHBondContact O-OG 2.91Å; G370-S399 WeakPolarHBondContact CA-OG 3.29Å; G370-S399 PolarHBondContact N-OG 2.76Å; G370-S399 PolarHBondContact O-OG 2.56Å; G370-H520 PolarHBondContact O-CE1 3.42Å
371D85.3Confident92.8Very high18 Ų1833 Ų3310%0.09616%0.157CC..  trans-107.2151.8-172.7-171.47.3000112.2R373 E374 S399 R473D371-R373 PolarHBondContact O-N 3.08Å; D371-R373 VanDerWaalsContact O-N 3.1Å; D371-R373 IonicContact OD2-CZ 3.3Å; D371-R373 IonicContact OD2-NE 3.15Å; D371-R373 PolarHBondContact OD2-NE 3.43Å; D371-R373 IonicContact OD2-NH2 3.36Å; D371-R373 PolarHBondContact OD2-NH2 2.93Å; D371-E374 PolarHBondContact N-OE1 3.32Å; D371-E374 WeakPolarHBondContact O-CB 3.45Å; D371-E374 WeakPolarHBondContact O-CG 3.09Å; D371-E374 PolarHBondContact O-N 3.25Å; D371-S399 PolarHBondContact N-OG 3.01Å; D371-S399 WeakPolarHBondContact O-CB 2.79Å; D371-R473 IonicContact OD1-CZ 3.02Å; D371-R473 IonicContact OD1-NH1 3.26Å; D371-R473 PolarHBondContact OD1-NH1 3.44Å; D371-R473 IonicContact OD2-CZ 3.65Å; D371-R473 IonicContact OD2-NH1 2.75Å; D371-R473 PolarHBondContact OD2-NH1 2.89Å
372Y82.3Confident92.9Very high30 Ų3029.1 Ų29.112%0.11814%0.142CC..THydrogen-bonded Turntrans-60.6-20.2175.278.7-91.7000113E374 I442 R473 K475 F476Y372-E374 PolarHBondContact O-N 3.01Å; Y372-I442 HydrophobicContact CE1-CG2 4.14Å; Y372-I442 WeakPolarHBondContact OH-CD1 3.41Å; Y372-R473 WeakPolarHBondContact CD1-O 3.26Å; Y372-R473 HydrophobicContact CE1-CG 4.43Å; Y372-K475 HydrophobicContact CD2-CB 3.41Å; Y372-K475 VanDerWaalsContact CD2-CB 3.41Å; Y372-K475 HydrophobicContact CD2-CD 4.35Å; Y372-K475 HydrophobicContact CE2-CB 3.67Å; Y372-K475 HydrophobicContact CE2-CD 4.06Å; Y372-K475 HydrophobicContact CG-CB 4.07Å; Y372-F476 HydrophobicContact CD2-CD2 4.46Å; Y372-F476 HydrophobicContact CD2-CE2 4.23Å; Y372-F476 WeakPolarHBondContact O-CE2 3.44Å
373R84.5Confident92.9Very high93 Ų9325.6 Ų25.635%0.35112%0.123SC..THydrogen-bonded Turntrans-70.3-15.6176-68.4-177.6-68.7-176.31.8112.7C51 D371 I375C51-R373 PolarHBondContact O-NH1 3.16Å; D371-R373 PolarHBondContact O-N 3.08Å; D371-R373 VanDerWaalsContact O-N 3.1Å; D371-R373 IonicContact OD2-CZ 3.3Å; D371-R373 IonicContact OD2-NE 3.15Å; D371-R373 PolarHBondContact OD2-NE 3.43Å; D371-R373 IonicContact OD2-NH2 3.36Å; D371-R373 PolarHBondContact OD2-NH2 2.93Å; R373-I375 PolarHBondContact O-N 3.28Å
374E83.2Confident93Very high18 Ų1825.4 Ų25.48%0.08412%0.121CC..  trans-71.8117.9179.4-63.1-176.5-147.600111G370 D371 Y372 L377 K380G370-E374 WeakPolarHBondContact CA-OE1 3.33Å; D371-E374 PolarHBondContact N-OE1 3.32Å; D371-E374 WeakPolarHBondContact O-CB 3.45Å; D371-E374 WeakPolarHBondContact O-CG 3.09Å; D371-E374 PolarHBondContact O-N 3.25Å; Y372-E374 PolarHBondContact O-N 3.01Å; E374-L377 HydrophobicContact CB-CD2 4.43Å; E374-K380 VanDerWaalsContact CD-NZ 3.29Å; E374-K380 IonicContact OE1-NZ 3.92Å; E374-K380 PolarHBondContact OE1-NZ 3.27Å; E374-K380 WeakPolarHBondContact OE2-CE 3.48Å; E374-K380 IonicContact OE2-NZ 3.9Å; E374-K380 PolarHBondContact OE2-NZ 3.31Å
375I81.4Confident93Very high107 Ų10726.9 Ų26.955%0.54912%0.124SC..  trans-85.4-44.2177-57.6173.4000109.5R373 L377 Q423R373-I375 PolarHBondContact O-N 3.28Å; I375-L377 PolarHBondContact O-N 2.69Å; I375-L377 VanDerWaalsContact O-N 3.16Å; I375-Q423 HydrophobicContact CG2-CG 4.29Å; I375-Q423 WeakPolarHBondContact O-CG 3.36Å; I375-Q423 PolarHBondContact O-NE2 3Å
376N86.5Confident92.9Very high81 Ų8128.4 Ų28.443%0.43313%0.13SC..  trans-84.397.6-175.8-173.510.2000112.6E378N376-E378 WeakPolarHBondContact OD1-CB 3.49Å; N376-E378 PolarHBondContact OD1-N 2.85Å
377L93.4Very high92.9Very high3 Ų328.4 Ų28.42%0.01613%0.13CC..  trans-92.1-2.5177.1-53.9178.4000114.1E374 I375 G379 K380 I381 A403 I406 Q423E374-L377 HydrophobicContact CB-CD2 4.43Å; I375-L377 PolarHBondContact O-N 2.69Å; I375-L377 VanDerWaalsContact O-N 3.16Å; L377-G379 VanDerWaalsContact C-N 3.34Å; L377-G379 PolarHBondContact O-N 2.92Å; L377-K380 HydrophobicContact CD2-CD 4.43Å; L377-K380 WeakPolarHBondContact O-CA 3.46Å; L377-K380 WeakPolarHBondContact O-CB 3.13Å; L377-K380 PolarHBondContact O-N 2.58Å; L377-I381 HydrophobicContact CB-CD1 4.11Å; L377-I381 HydrophobicContact CB-CG1 4.35Å; L377-I381 WeakPolarHBondContact O-CG1 3.5Å; L377-I381 PolarHBondContact O-N 3.15Å; L377-A403 HydrophobicContact CB-CB 4.38Å; L377-I406 HydrophobicContact CD1-CD1 4.02Å; L377-Q423 VanDerWaalsContact N-NE2 3.17Å
378E94.9Very high92.9Very high44 Ų4430.5 Ų30.521%0.20614%0.138CC..Hα-helixtrans-61-38.1-167.9-66.4-62.5146.700113.5H342 N376 K380 I381 L382 R410H342-E378 WeakPolarHBondContact CD2-CB 3.44Å; N376-E378 WeakPolarHBondContact OD1-CB 3.49Å; N376-E378 PolarHBondContact OD1-N 2.85Å; E378-K380 VanDerWaalsContact C-N 3.33Å; E378-K380 PolarHBondContact O-N 2.74Å; E378-I381 PolarHBondContact O-N 3.08Å; E378-L382 WeakPolarHBondContact O-CG 3.42Å; E378-L382 PolarHBondContact O-N 3.3Å; E378-R410 VanDerWaalsContact CD-NH1 3.31Å; E378-R410 IonicContact OE1-CZ 3.46Å; E378-R410 IonicContact OE1-NH1 2.97Å; E378-R410 PolarHBondContact OE1-NH1 3.41Å; E378-R410 IonicContact OE1-NH2 3.01Å; E378-R410 PolarHBondContact OE1-NH2 2.89Å; E378-R410 IonicContact OE2-CZ 3.97Å; E378-R410 IonicContact OE2-NH1 2.83Å; E378-R410 PolarHBondContact OE2-NH1 3.47Å
379G95.1Very high92.8Very high1 Ų135.7 Ų35.71%0.0116%0.162CC..Hα-helixtrans-64.4-36.5174.500000113.6C338 L377 A383C338-G379 VanDerWaalsContact O-CA 3.29Å; C338-G379 WeakPolarHBondContact O-CA 3.42Å; L377-G379 VanDerWaalsContact C-N 3.34Å; L377-G379 PolarHBondContact O-N 2.92Å; G379-A383 PolarHBondContact O-N 3.43Å; G379-A383 VanDerWaalsContact O-N 3.09Å
380K97Very high92.8Very high1 Ų138.6 Ų38.60%0.00418%0.178CC..Hα-helixtrans-71.6-39175.6-67-179.9166.4168.80111.4C338 V368 I369 E374 L377 E378 L382 A383 C384 S399 A403C338-K380 HydrophobicContact CB-CG 3.98Å; V368-K380 HydrophobicContact CG1-CB 3.77Å; V368-K380 HydrophobicContact CG1-CD 3.9Å; V368-K380 HydrophobicContact CG1-CG 3.7Å; I369-K380 WeakPolarHBondContact O-CE 3.49Å; I369-K380 PolarHBondContact O-NZ 3.38Å; E374-K380 VanDerWaalsContact CD-NZ 3.29Å; E374-K380 IonicContact OE1-NZ 3.92Å; E374-K380 PolarHBondContact OE1-NZ 3.27Å; E374-K380 WeakPolarHBondContact OE2-CE 3.48Å; E374-K380 IonicContact OE2-NZ 3.9Å; E374-K380 PolarHBondContact OE2-NZ 3.31Å; L377-K380 HydrophobicContact CD2-CD 4.43Å; L377-K380 WeakPolarHBondContact O-CA 3.46Å; L377-K380 WeakPolarHBondContact O-CB 3.13Å; L377-K380 PolarHBondContact O-N 2.58Å; E378-K380 VanDerWaalsContact C-N 3.33Å; E378-K380 PolarHBondContact O-N 2.74Å; K380-L382 VanDerWaalsContact C-N 3.29Å; K380-L382 PolarHBondContact O-N 3.31Å; K380-A383 PolarHBondContact O-N 3.03Å; K380-C384 PolarHBondContact O-N 3.19Å; K380-C384 PolarHBondContact O-SG 2.91Å; K380-S399 PolarHBondContact NZ-OG 3.43Å; K380-A403 HydrophobicContact CB-CB 3.41Å; K380-A403 VanDerWaalsContact CB-CB 3.41Å
381I97.5Very high93Very high10 Ų1042.9 Ų42.95%0.05120%0.197CC..Hα-helixtrans-58.4-45.5174.9-69.7165.5000109.4L377 E378 C384 R385 A403 I406 E407L377-I381 HydrophobicContact CB-CD1 4.11Å; L377-I381 HydrophobicContact CB-CG1 4.35Å; L377-I381 WeakPolarHBondContact O-CG1 3.5Å; L377-I381 PolarHBondContact O-N 3.15Å; E378-I381 PolarHBondContact O-N 3.08Å; I381-C384 PolarHBondContact O-N 3.43Å; I381-R385 PolarHBondContact O-N 2.81Å; I381-A403 HydrophobicContact CG1-CB 3.95Å; I381-I406 HydrophobicContact CD1-CB 4.12Å; I381-I406 HydrophobicContact CD1-CG2 3.56Å; I381-I406 HydrophobicContact CG1-CB 4.32Å; I381-I406 HydrophobicContact CG1-CG2 4.18Å; I381-E407 HydrophobicContact CG2-CB 3.92Å; I381-E407 HydrophobicContact CG2-CG 4.26Å; I381-E407 VanDerWaalsContact O-CG 3.32Å; I381-E407 WeakPolarHBondContact O-CG 3.35Å
382L96.7Very high93.6Very high39 Ų3942.8 Ų42.820%0.20420%0.196CC..Hα-helixtrans-62-43.5175.4-68.8170000112.2T345 W357 E378 K380 R385 F386T345-L382 HydrophobicContact CG2-CD1 3.95Å; T345-L382 HydrophobicContact CG2-CD2 4.38Å; W357-L382 HydrophobicContact CH2-CB 3.94Å; W357-L382 HydrophobicContact CZ2-CB 3.87Å; E378-L382 WeakPolarHBondContact O-CG 3.42Å; E378-L382 PolarHBondContact O-N 3.3Å; K380-L382 VanDerWaalsContact C-N 3.29Å; K380-L382 PolarHBondContact O-N 3.31Å; L382-R385 WeakPolarHBondContact O-CB 3.21Å; L382-R385 PolarHBondContact O-N 2.88Å; L382-F386 WeakPolarHBondContact O-CB 3.36Å; L382-F386 PolarHBondContact O-N 2.79Å
383A97.6Very high94.4Very high0 Ų041.7 Ų41.70%019%0.193CC..Hα-helixtrans-63.5-45.3178.600000112.5I303 L341 W357 M366 V368 G379 K380 R385 F386 A387I303-A383 HydrophobicContact CB-CB 4.46Å; I303-A383 HydrophobicContact CG1-CB 4.11Å; I303-A383 HydrophobicContact CG2-CB 3.9Å; L341-A383 HydrophobicContact CD1-CB 4.33Å; W357-A383 HydrophobicContact CH2-CB 4.46Å; M366-A383 HydrophobicContact SD-CB 3.86Å; V368-A383 HydrophobicContact CG2-CB 4.28Å; G379-A383 PolarHBondContact O-N 3.43Å; G379-A383 VanDerWaalsContact O-N 3.09Å; K380-A383 PolarHBondContact O-N 3.03Å; A383-R385 VanDerWaalsContact C-N 3.3Å; A383-R385 PolarHBondContact O-N 2.93Å; A383-F386 PolarHBondContact O-N 3.26Å; A383-A387 PolarHBondContact O-N 3.28Å
384C98.2Very high95Very high0 Ų037.2 Ų37.20%018%0.176CC..Hα-helixtrans-60.4-40.2175-66.20000111.7K380 I381 A387 R388 L394 A404 E407K380-C384 PolarHBondContact O-N 3.19Å; K380-C384 PolarHBondContact O-SG 2.91Å; I381-C384 PolarHBondContact O-N 3.43Å; C384-A387 PolarHBondContact O-N 3.26Å; C384-R388 WeakPolarHBondContact O-CB 3.43Å; C384-R388 PolarHBondContact O-N 3.2Å; C384-L394 HydrophobicContact CB-CD2 4.49Å; C384-A404 HydrophobicContact CB-CB 4.22Å; C384-E407 HydrophobicContact CB-CB 4.25Å; C384-E407 HydrophobicContact CB-CG 4.32Å
385R97.4Very high95.8Very high115 Ų11536.4 Ų36.443%0.43417%0.172SC..Hα-helixtrans-61.8-47.7176.1-178.2174172.5178.10.8110.6I381 L382 A383 R388 Q389 E407I381-R385 PolarHBondContact O-N 2.81Å; L382-R385 WeakPolarHBondContact O-CB 3.21Å; L382-R385 PolarHBondContact O-N 2.88Å; A383-R385 VanDerWaalsContact C-N 3.3Å; A383-R385 PolarHBondContact O-N 2.93Å; R385-R388 PolarHBondContact O-N 2.79Å; R385-Q389 HydrophobicContact CG-CG 4.37Å; R385-Q389 WeakPolarHBondContact O-CB 3.16Å; R385-Q389 WeakPolarHBondContact O-CG 3.38Å; R385-Q389 PolarHBondContact O-N 3.26Å; R385-E407 VanDerWaalsContact CA-CD 3.48Å; R385-E407 HydrophobicContact CB-CG 3.48Å; R385-E407 VanDerWaalsContact CB-CG 3.48Å; R385-E407 WeakPolarHBondContact CB-OE1 3.15Å; R385-E407 HydrophobicContact CG-CG 4.34Å; R385-E407 WeakPolarHBondContact CG-OE1 3.25Å
386F97.1Very high96.6Very high32 Ų3231.3 Ų31.314%0.1415%0.146CC..Hα-helixtrans-61.6-44.7-179.5-172-96.2000111.3W357 V360 K361 M366 L382 A383 Q389 N390 I392W357-F386 HydrophobicContact CB-CE2 3.92Å; W357-F386 HydrophobicContact CB-CZ 4.19Å; W357-F386 AromaticContact CD2-CD2 3.94Å; W357-F386 HydrophobicContact CD2-CD2 3.94Å; W357-F386 HydrophobicContact CD2-CE2 4.19Å; W357-F386 HydrophobicContact CD2-CG 4.29Å; W357-F386 HydrophobicContact CE3-CB 3.87Å; W357-F386 AromaticContact CE3-CD1 3.74Å; W357-F386 HydrophobicContact CE3-CD1 3.74Å; W357-F386 AromaticContact CE3-CD2 3.49Å; W357-F386 HydrophobicContact CE3-CD2 3.49Å; W357-F386 VanDerWaalsContact CE3-CD2 3.49Å; W357-F386 HydrophobicContact CE3-CE1 4.11Å; W357-F386 AromaticContact CE3-CE2 3.89Å; W357-F386 HydrophobicContact CE3-CE2 3.89Å; W357-F386 AromaticContact CE3-CG 3.4Å; W357-F386 HydrophobicContact CE3-CG 3.4Å; W357-F386 VanDerWaalsContact CE3-CG 3.4Å; W357-F386 HydrophobicContact CE3-CZ 4.18Å; W357-F386 HydrophobicContact CG-CD2 4.39Å; W357-F386 HydrophobicContact CG-CE2 4.23Å; W357-F386 HydrophobicContact CH2-CB 4.11Å; W357-F386 HydrophobicContact CZ3-CB 3.48Å; W357-F386 VanDerWaalsContact CZ3-CB 3.48Å; W357-F386 AromaticContact CZ3-CD1 3.96Å; W357-F386 HydrophobicContact CZ3-CD1 3.96Å; W357-F386 HydrophobicContact CZ3-CD2 4.04Å; W357-F386 AromaticContact CZ3-CG 3.56Å; W357-F386 HydrophobicContact CZ3-CG 3.56Å; V360-F386 HydrophobicContact CB-CE1 4.42Å; V360-F386 HydrophobicContact CG1-CD1 4.07Å; V360-F386 HydrophobicContact CG1-CE1 4.07Å; K361-F386 HydrophobicContact CB-CE1 4.19Å; K361-F386 HydrophobicContact CB-CZ 4.01Å; K361-F386 HydrophobicContact CG-CZ 4.39Å; M366-F386 HydrophobicContact CE-CD1 4.34Å; L382-F386 WeakPolarHBondContact O-CB 3.36Å; L382-F386 PolarHBondContact O-N 2.79Å; A383-F386 PolarHBondContact O-N 3.26Å; F386-Q389 PolarHBondContact O-N 3.5Å; F386-N390 WeakPolarHBondContact CD2-ND2 3.46Å; F386-N390 WeakPolarHBondContact CE2-ND2 3.26Å; F386-N390 WeakPolarHBondContact O-CB 3.41Å; F386-N390 PolarHBondContact O-N 3.23Å; F386-N390 PolarHBondContact O-ND2 3.32Å; F386-I392 HydrophobicContact CD1-CD1 3.85Å; F386-I392 HydrophobicContact CE1-CD1 3.6Å
387A97.9Very high97.1Very high0 Ų027.4 Ų27.40%013%0.126CC..Hα-helixtrans-59.5-50176.300000111.6M366 A383 C384 Q389 N390 Q391 I392 L394 H511M366-A387 HydrophobicContact CE-CB 3.83Å; M366-A387 HydrophobicContact SD-CB 4.12Å; A383-A387 PolarHBondContact O-N 3.28Å; C384-A387 PolarHBondContact O-N 3.26Å; A387-Q389 PolarHBondContact O-N 2.97Å; A387-N390 PolarHBondContact O-N 2.84Å; A387-Q391 PolarHBondContact O-N 2.85Å; A387-I392 HydrophobicContact CB-CB 4.33Å; A387-I392 PolarHBondContact O-N 2.9Å; A387-L394 HydrophobicContact CB-CB 4.14Å; A387-L394 HydrophobicContact CB-CD1 3.91Å; A387-L394 HydrophobicContact CB-CG 4.42Å; A387-H511 PolarHBondContact O-NE2 3.35Å
388R97.9Very high97.2Very high43 Ų4327.3 Ų27.316%0.16213%0.125CC..Hα-helixtrans-60-43.8179.6-173.9176.260.869.14.5113C384 R385 E407 S411 L508 F514C384-R388 WeakPolarHBondContact O-CB 3.43Å; C384-R388 PolarHBondContact O-N 3.2Å; R385-R388 PolarHBondContact O-N 2.79Å; R388-E407 IonicContact CZ-OE1 3.8Å; R388-E407 IonicContact CZ-OE2 3.76Å; R388-E407 IonicContact NE-OE1 3.35Å; R388-E407 PolarHBondContact NE-OE1 2.96Å; R388-E407 IonicContact NE-OE2 3Å; R388-E407 PolarHBondContact NE-OE2 2.79Å; R388-E407 IonicContact NH2-OE1 2.69Å; R388-E407 PolarHBondContact NH2-OE1 3.25Å; R388-E407 IonicContact NH2-OE2 3.85Å; R388-S411 VanDerWaalsContact NH2-CB 3.31Å; R388-L508 HydrophobicContact CG-CD2 3.57Å; R388-F514 HydrophobicContact CB-CD2 4.35Å; R388-F514 HydrophobicContact CB-CE2 3.79Å; R388-F514 HydrophobicContact CG-CE2 4.47Å
389Q96.7Very high97.2Very high109 Ų10925.2 Ų25.251%0.50912%0.115SC..Hα-helixtrans-72.2-32.4-177.4-72.7-176.4-39.400112.7R385 F386 A387R385-Q389 HydrophobicContact CG-CG 4.37Å; R385-Q389 WeakPolarHBondContact O-CB 3.16Å; R385-Q389 WeakPolarHBondContact O-CG 3.38Å; R385-Q389 PolarHBondContact O-N 3.26Å; F386-Q389 PolarHBondContact O-N 3.5Å; A387-Q389 PolarHBondContact O-N 2.97Å
390N96.4Very high97.3Very high64 Ų6425.2 Ų25.234%0.34212%0.115SC..Hα-helixtrans-98.76.8-179.2-65.3-82000113.5F386 A387 I392F386-N390 WeakPolarHBondContact CD2-ND2 3.46Å; F386-N390 WeakPolarHBondContact CE2-ND2 3.26Å; F386-N390 WeakPolarHBondContact O-CB 3.41Å; F386-N390 PolarHBondContact O-N 3.23Å; F386-N390 PolarHBondContact O-ND2 3.32Å; A387-N390 PolarHBondContact O-N 2.84Å; N390-I392 HydrophobicContact CB-CD1 3.9Å; N390-I392 HydrophobicContact CB-CG1 3.88Å; N390-I392 PolarHBondContact O-N 3.38Å
391Q96.4Very high97.3Very high93 Ų9325.1 Ų25.144%0.43512%0.115SC..THydrogen-bonded Turntrans56.733.8-177.9-63.9-67.9-38.400113.6A387 P393 H511A387-Q391 PolarHBondContact O-N 2.85Å; Q391-P393 WeakPolarHBondContact O-CD 3.36Å; Q391-H511 WeakPolarHBondContact CA-NE2 3.33Å; Q391-H511 PolarHBondContact OE1-CD2 2.86Å; Q391-H511 VanDerWaalsContact OE1-CD2 3.31Å
392I97.6Very high97.2Very high15 Ų1524.9 Ų24.98%0.07711%0.113CC..  trans-83.5124.3179.9-59170.2000108.7M366 F386 A387 N390 L394 H511M366-I392 HydrophobicContact CB-CG2 4.4Å; F386-I392 HydrophobicContact CD1-CD1 3.85Å; F386-I392 HydrophobicContact CE1-CD1 3.6Å; A387-I392 HydrophobicContact CB-CB 4.33Å; A387-I392 PolarHBondContact O-N 2.9Å; N390-I392 HydrophobicContact CB-CD1 3.9Å; N390-I392 HydrophobicContact CB-CG1 3.88Å; N390-I392 PolarHBondContact O-N 3.38Å; I392-L394 PolarHBondContact O-N 3.37Å; I392-H511 PolarHBondContact O-CE1 3.02Å
393P98.3Very high97.3Very high7 Ų723 Ų235%0.04510%0.103CC..  trans-45123.1173-3337.5000113.3H364 G365 M366 Q391 F513 L537 A540H364-P393 WeakPolarHBondContact O-CD 3.17Å; G365-P393 CarbonylContact C-O 3.59Å; G365-P393 WeakPolarHBondContact CA-O 3.4Å; M366-P393 PolarHBondContact N-O 2.96Å; Q391-P393 WeakPolarHBondContact O-CD 3.36Å; P393-F513 CarbonylContact C-O 3.53Å; P393-F513 VanDerWaalsContact CA-O 3.25Å; P393-F513 WeakPolarHBondContact CA-O 3.26Å; P393-F513 HydrophobicContact CB-CB 4.13Å; P393-F513 HydrophobicContact CB-CD1 4.48Å; P393-L537 HydrophobicContact CB-CD1 4.09Å; P393-A540 HydrophobicContact CB-CB 3.71Å; P393-A540 HydrophobicContact CG-CB 3.81Å
394L98.6Very high97.3Very high0 Ų023 Ų230%010%0.103CC..EExtended strand (participates in β ladder)trans-126.3128.6-175.8-176.184.4000111.2M366 V368 C384 A387 I392 A396 F513 F514 V515M366-L394 HydrophobicContact CB-CD1 3.85Å; M366-L394 HydrophobicContact CG-CD1 3.84Å; M366-L394 WeakPolarHBondContact O-CA 3.37Å; M366-L394 HydrophobicContact SD-CD1 3.73Å; V368-L394 HydrophobicContact CB-CD1 4.43Å; V368-L394 HydrophobicContact CG2-CD1 3.55Å; C384-L394 HydrophobicContact CB-CD2 4.49Å; A387-L394 HydrophobicContact CB-CB 4.14Å; A387-L394 HydrophobicContact CB-CD1 3.91Å; A387-L394 HydrophobicContact CB-CG 4.42Å; I392-L394 PolarHBondContact O-N 3.37Å; L394-A396 HydrophobicContact CD2-CB 4.16Å; L394-A396 HydrophobicContact CG-CB 4.49Å; L394-F513 PolarHBondContact N-O 3Å; L394-F513 VanDerWaalsContact O-CD1 3.32Å; L394-F513 WeakPolarHBondContact O-CD1 3.42Å; L394-F513 WeakPolarHBondContact O-CE1 3.44Å; L394-F514 HydrophobicContact CB-CD2 3.93Å; L394-F514 HydrophobicContact CB-CE2 4.33Å; L394-F514 HydrophobicContact CB-CG 4.35Å; L394-F514 HydrophobicContact CD2-CD1 4.19Å; L394-F514 HydrophobicContact CD2-CD2 3.66Å; L394-F514 HydrophobicContact CD2-CE1 3.84Å; L394-F514 HydrophobicContact CD2-CE2 3.27Å; L394-F514 HydrophobicContact CD2-CG 4.1Å; L394-F514 HydrophobicContact CD2-CZ 3.37Å; L394-F514 HydrophobicContact CG-CD2 4.44Å; L394-F514 HydrophobicContact CG-CE2 4.39Å; L394-F514 WeakPolarHBondContact O-CA 3.47Å; L394-V515 PolarHBondContact O-N 2.94Å
395L98.6Very high97.3Very high0 Ų023 Ų230%010%0.103CC..EExtended strand (participates in β ladder)trans-110.6118.3158.4-178.758.1000108.8M366 L367 V368 V397 F513 V515 V517 F533 Y534 L537M366-L395 PolarHBondContact O-N 2.88Å; L367-L395 WeakPolarHBondContact CA-O 3.47Å; L367-L395 HydrophobicContact CD1-CB 4.06Å; L367-L395 HydrophobicContact CD1-CD2 4.03Å; L367-L395 HydrophobicContact CD1-CG 3.99Å; L367-L395 WeakPolarHBondContact CD1-O 3.49Å; V368-L395 PolarHBondContact N-O 3.44Å; L395-V397 HydrophobicContact CD1-CG2 4.41Å; L395-V397 HydrophobicContact CD2-CG2 4.25Å; L395-V397 HydrophobicContact CG-CG2 3.91Å; L395-F513 HydrophobicContact CB-CE1 4.19Å; L395-V515 CarbonylContact C-O 3.4Å; L395-V515 WeakPolarHBondContact CA-O 3.16Å; L395-V515 HydrophobicContact CD1-CB 4.24Å; L395-V515 HydrophobicContact CD1-CG1 4.29Å; L395-V517 HydrophobicContact CD1-CG2 4.33Å; L395-F533 HydrophobicContact CD1-CB 4.03Å; L395-F533 HydrophobicContact CD1-CD1 4.26Å; L395-F533 HydrophobicContact CD1-CG 4.45Å; L395-F533 HydrophobicContact CD2-CB 4.02Å; L395-Y534 HydrophobicContact CD2-CD1 4.44Å; L395-Y534 HydrophobicContact CD2-CD2 4.07Å; L395-Y534 HydrophobicContact CD2-CE1 4.44Å; L395-Y534 HydrophobicContact CD2-CE2 4.08Å; L395-Y534 HydrophobicContact CD2-CG 4.26Å; L395-L537 HydrophobicContact CB-CB 4.36Å; L395-L537 HydrophobicContact CB-CD1 4.31Å; L395-L537 HydrophobicContact CB-CD2 3.95Å; L395-L537 HydrophobicContact CB-CG 4.43Å
396A98.3Very high97.3Very high0 Ų017.6 Ų17.60%08%0.083CC..EExtended strand (participates in β ladder)trans-110.8117.217700000110.6V368 L394 G400 A404 V515 I516 V517V368-A396 HydrophobicContact CB-CB 4.38Å; V368-A396 CarbonylContact O-C 3.02Å; V368-A396 VanDerWaalsContact O-CA 3.28Å; V368-A396 WeakPolarHBondContact O-CA 3.25Å; L394-A396 HydrophobicContact CD2-CB 4.16Å; L394-A396 HydrophobicContact CG-CB 4.49Å; A396-G400 VanDerWaalsContact CB-C 3.44Å; A396-G400 WeakPolarHBondContact CB-O 3.28Å; A396-A404 HydrophobicContact CB-CB 4.38Å; A396-V515 PolarHBondContact N-O 2.85Å; A396-I516 HydrophobicContact CB-CB 4.27Å; A396-I516 HydrophobicContact CB-CG2 3.79Å; A396-I516 CarbonylContact O-C 3.48Å; A396-I516 WeakPolarHBondContact O-CA 3.32Å; A396-V517 PolarHBondContact O-N 2.81Å
397V97.6Very high97.4Very high0 Ų016.1 Ų16.10%08%0.076CC..EExtended strand (participates in β ladder)trans-112.3130.8-171.4179.70000110.8L367 V368 I369 L395 S399 G400 V517 F519L367-V397 HydrophobicContact CD1-CG2 3.92Å; V368-V397 PolarHBondContact O-N 3Å; I369-V397 HydrophobicContact CB-CB 4.23Å; I369-V397 HydrophobicContact CD1-CB 4.14Å; I369-V397 HydrophobicContact CD1-CG1 4.07Å; I369-V397 HydrophobicContact CG1-CB 3.91Å; I369-V397 HydrophobicContact CG1-CG1 4.1Å; L395-V397 HydrophobicContact CD1-CG2 4.41Å; L395-V397 HydrophobicContact CD2-CG2 4.25Å; L395-V397 HydrophobicContact CG-CG2 3.91Å; V397-S399 PolarHBondContact O-N 3.3Å; V397-S399 VanDerWaalsContact O-N 3.14Å; V397-G400 PolarHBondContact O-N 2.76Å; V397-V517 CarbonylContact C-O 3.5Å; V397-V517 HydrophobicContact CB-CG2 4.26Å; V397-V517 HydrophobicContact CG1-CG2 4.35Å; V397-V517 HydrophobicContact CG2-CG2 3.88Å; V397-F519 WeakPolarHBondContact CG1-O 3.14Å
398S95.3Very high97.4Very high0 Ų016.3 Ų16.30%08%0.077CC..EExtended strand (participates in β ladder)trans54.5-112.1176.41780000111.6G370 G400 M401 Y402 V517 H520G370-S398 WeakPolarHBondContact O-CB 3.15Å; G370-S398 PolarHBondContact O-OG 2.91Å; S398-G400 PolarHBondContact O-N 3.28Å; S398-M401 VanDerWaalsContact O-CB 3.32Å; S398-M401 WeakPolarHBondContact O-CB 3.2Å; S398-M401 PolarHBondContact O-N 2.89Å; S398-Y402 PolarHBondContact O-N 3.41Å; S398-V517 PolarHBondContact N-O 3.12Å; S398-H520 VanDerWaalsContact CB-CE1 3.41Å; S398-H520 WeakPolarHBondContact CB-CE1 3.4Å; S398-H520 VanDerWaalsContact CB-NE2 3.27Å; S398-H520 WeakPolarHBondContact CB-NE2 3.48Å; S398-H520 PolarHBondContact OG-NE2 2.93Å
399S94.9Very high97.4Very high1 Ų114.3 Ų14.31%0.0077%0.07CC..Hα-helixtrans-56.7-23.3173.8630000114.3G370 D371 K380 V397 Y402 A403G370-S399 WeakPolarHBondContact CA-OG 3.29Å; G370-S399 PolarHBondContact N-OG 2.76Å; G370-S399 PolarHBondContact O-OG 2.56Å; D371-S399 PolarHBondContact N-OG 3.01Å; D371-S399 WeakPolarHBondContact O-CB 2.79Å; K380-S399 PolarHBondContact NZ-OG 3.43Å; V397-S399 PolarHBondContact O-N 3.3Å; V397-S399 VanDerWaalsContact O-N 3.14Å; S399-Y402 WeakPolarHBondContact O-CB 3.19Å; S399-Y402 PolarHBondContact O-N 3.02Å; S399-A403 PolarHBondContact O-N 3.28Å
400G97Very high97.4Very high0 Ų012.1 Ų12.10%06%0.057CC..Hα-helixtrans-65.2-41.717100000112.7A396 V397 S398 Y402 A403 A404A396-G400 VanDerWaalsContact CB-C 3.44Å; A396-G400 WeakPolarHBondContact CB-O 3.28Å; V397-G400 PolarHBondContact O-N 2.76Å; S398-G400 PolarHBondContact O-N 3.28Å; G400-Y402 VanDerWaalsContact C-N 3.28Å; G400-Y402 PolarHBondContact O-N 3.39Å; G400-A403 PolarHBondContact O-N 2.67Å; G400-A404 PolarHBondContact O-N 3.31Å
401M97.3Very high97.4Very high0 Ų011.5 Ų11.50%06%0.058CC..Hα-helixtrans-59.4-43172.8176-172.2-173.100110.6S398 A403 A404 V405 V478 F493 V503 I516 V517 D518S398-M401 VanDerWaalsContact O-CB 3.32Å; S398-M401 WeakPolarHBondContact O-CB 3.2Å; S398-M401 PolarHBondContact O-N 2.89Å; M401-A403 VanDerWaalsContact C-N 3.34Å; M401-A403 PolarHBondContact O-N 2.79Å; M401-A404 PolarHBondContact O-N 2.69Å; M401-V405 HydrophobicContact CG-CG2 4.49Å; M401-V405 WeakPolarHBondContact O-CG2 3.42Å; M401-V405 PolarHBondContact O-N 2.8Å; M401-V478 HydrophobicContact CE-CG2 3.8Å; M401-F493 HydrophobicContact CE-CD1 4.28Å; M401-F493 HydrophobicContact CE-CE1 3.78Å; M401-V503 HydrophobicContact CE-CG2 4.19Å; M401-I516 HydrophobicContact CB-CB 4.08Å; M401-I516 HydrophobicContact CE-CG1 4.47Å; M401-I516 HydrophobicContact CG-CB 3.87Å; M401-I516 HydrophobicContact CG-CD1 4.02Å; M401-I516 HydrophobicContact CG-CG1 3.96Å; M401-V517 WeakPolarHBondContact CB-O 3.48Å; M401-V517 VanDerWaalsContact SD-C 3.55Å; M401-D518 HydrophobicContact SD-CB 3.68Å; M401-D518 PolarHBondContact SD-N 2.87Å
402Y96.6Very high97.5Very high5 Ų59.7 Ų9.72%0.025%0.052CC..Hα-helixtrans-61.4-44.2178.6-57.9-13.9000111.7S398 S399 G400 V405 I406 I432 F476 D518S398-Y402 PolarHBondContact O-N 3.41Å; S399-Y402 WeakPolarHBondContact O-CB 3.19Å; S399-Y402 PolarHBondContact O-N 3.02Å; G400-Y402 VanDerWaalsContact C-N 3.28Å; G400-Y402 PolarHBondContact O-N 3.39Å; Y402-V405 PolarHBondContact O-N 2.87Å; Y402-I406 WeakPolarHBondContact O-CB 3.32Å; Y402-I406 WeakPolarHBondContact O-CD1 3.27Å; Y402-I406 VanDerWaalsContact O-CG1 3.24Å; Y402-I406 WeakPolarHBondContact O-CG1 3.37Å; Y402-I406 PolarHBondContact O-N 2.68Å; Y402-I432 HydrophobicContact CD1-CD1 3.7Å; Y402-I432 HydrophobicContact CD1-CG1 4.37Å; Y402-I432 HydrophobicContact CD1-CG2 4.09Å; Y402-I432 HydrophobicContact CD2-CG2 3.96Å; Y402-I432 HydrophobicContact CE1-CG2 4.45Å; Y402-I432 HydrophobicContact CE2-CG2 4.31Å; Y402-I432 HydrophobicContact CG-CD1 3.98Å; Y402-I432 HydrophobicContact CG-CG1 4.17Å; Y402-I432 HydrophobicContact CG-CG2 3.86Å; Y402-F476 HydrophobicContact CE2-CB 3.82Å; Y402-F476 HydrophobicContact CE2-CD2 4.42Å; Y402-F476 PolarHBondContact OH-O 3.49Å; Y402-D518 VanDerWaalsContact CE1-OD1 3.31Å; Y402-D518 WeakPolarHBondContact CE1-OD1 3.49Å; Y402-D518 PolarHBondContact OH-OD1 3.28Å
403A97.5Very high97.4Very high0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-62.2-42.2175.400000112.3L377 K380 I381 S399 G400 M401 I406 E407L377-A403 HydrophobicContact CB-CB 4.38Å; K380-A403 HydrophobicContact CB-CB 3.41Å; K380-A403 VanDerWaalsContact CB-CB 3.41Å; I381-A403 HydrophobicContact CG1-CB 3.95Å; S399-A403 PolarHBondContact O-N 3.28Å; G400-A403 PolarHBondContact O-N 2.67Å; M401-A403 VanDerWaalsContact C-N 3.34Å; M401-A403 PolarHBondContact O-N 2.79Å; A403-I406 PolarHBondContact O-N 3.21Å; A403-E407 VanDerWaalsContact O-CB 3.28Å; A403-E407 WeakPolarHBondContact O-CB 3.41Å; A403-E407 PolarHBondContact O-N 3.41Å
404A98.2Very high97.3Very high0 Ų013.1 Ų13.10%08%0.081CC..Hα-helixtrans-64.5-42.5177.600000112.7C384 A396 G400 M401 E407 F408 F514 I516C384-A404 HydrophobicContact CB-CB 4.22Å; A396-A404 HydrophobicContact CB-CB 4.38Å; G400-A404 PolarHBondContact O-N 3.31Å; M401-A404 PolarHBondContact O-N 2.69Å; A404-E407 PolarHBondContact O-N 3.31Å; A404-F408 WeakPolarHBondContact O-CB 3.41Å; A404-F408 PolarHBondContact O-N 2.84Å; A404-F514 HydrophobicContact CB-CE1 4.12Å; A404-F514 HydrophobicContact CB-CZ 4.18Å; A404-I516 HydrophobicContact CB-CG2 3.66Å
405V98.2Very high97.1Very high0 Ų014.1 Ų14.10%09%0.086CC..Hα-helixtrans-64.6-43.2176.5172.10000111.2M401 Y402 S409 L431 I432 V478 L486 M491 F493 I516M401-V405 HydrophobicContact CG-CG2 4.49Å; M401-V405 WeakPolarHBondContact O-CG2 3.42Å; M401-V405 PolarHBondContact O-N 2.8Å; Y402-V405 PolarHBondContact O-N 2.87Å; V405-S409 WeakPolarHBondContact O-CB 3.49Å; V405-S409 PolarHBondContact O-N 3.21Å; V405-S409 PolarHBondContact O-OG 2.71Å; V405-L431 HydrophobicContact CG1-CB 4.32Å; V405-L431 HydrophobicContact CG1-CD1 4.21Å; V405-L431 HydrophobicContact CG1-CG 4.46Å; V405-I432 HydrophobicContact CB-CD1 4.39Å; V405-I432 HydrophobicContact CG1-CD1 4.38Å; V405-V478 HydrophobicContact CG1-CG1 4.32Å; V405-V478 HydrophobicContact CG2-CG2 4.02Å; V405-L486 HydrophobicContact CG1-CD1 3.85Å; V405-L486 HydrophobicContact CG1-CD2 4.45Å; V405-M491 HydrophobicContact CG2-SD 4.04Å; V405-F493 HydrophobicContact CG2-CZ 4.29Å; V405-I516 HydrophobicContact CG2-CD1 3.86Å
406I97.9Very high96.9Very high0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-64.9-45177.1-68165.3000110.5L377 I381 Y402 A403 F408 S409 R410 A418 L431 I432L377-I406 HydrophobicContact CD1-CD1 4.02Å; I381-I406 HydrophobicContact CD1-CB 4.12Å; I381-I406 HydrophobicContact CD1-CG2 3.56Å; I381-I406 HydrophobicContact CG1-CB 4.32Å; I381-I406 HydrophobicContact CG1-CG2 4.18Å; Y402-I406 WeakPolarHBondContact O-CB 3.32Å; Y402-I406 WeakPolarHBondContact O-CD1 3.27Å; Y402-I406 VanDerWaalsContact O-CG1 3.24Å; Y402-I406 WeakPolarHBondContact O-CG1 3.37Å; Y402-I406 PolarHBondContact O-N 2.68Å; A403-I406 PolarHBondContact O-N 3.21Å; I406-F408 PolarHBondContact O-N 2.91Å; I406-S409 PolarHBondContact O-N 3.28Å; I406-R410 HydrophobicContact CG2-CG 4.36Å; I406-R410 WeakPolarHBondContact O-CG 3.49Å; I406-R410 PolarHBondContact O-N 3.22Å; I406-A418 WeakPolarHBondContact CG2-O 3.41Å; I406-L431 HydrophobicContact CG1-CB 4.27Å; I406-I432 HydrophobicContact CD1-CG1 4.05Å; I406-I432 HydrophobicContact CG1-CG1 4.17Å
407E97.6Very high96.7Very high1 Ų127 Ų271%0.00514%0.143CC..Hα-helixtrans-55.1-53.1175.9-174.5-79.5137.700111.6I381 C384 R385 R388 A403 A404 S409 R410 S411I381-E407 HydrophobicContact CG2-CB 3.92Å; I381-E407 HydrophobicContact CG2-CG 4.26Å; I381-E407 VanDerWaalsContact O-CG 3.32Å; I381-E407 WeakPolarHBondContact O-CG 3.35Å; C384-E407 HydrophobicContact CB-CB 4.25Å; C384-E407 HydrophobicContact CB-CG 4.32Å; R385-E407 VanDerWaalsContact CA-CD 3.48Å; R385-E407 HydrophobicContact CB-CG 3.48Å; R385-E407 VanDerWaalsContact CB-CG 3.48Å; R385-E407 WeakPolarHBondContact CB-OE1 3.15Å; R385-E407 HydrophobicContact CG-CG 4.34Å; R385-E407 WeakPolarHBondContact CG-OE1 3.25Å; R388-E407 IonicContact CZ-OE1 3.8Å; R388-E407 IonicContact CZ-OE2 3.76Å; R388-E407 IonicContact NE-OE1 3.35Å; R388-E407 PolarHBondContact NE-OE1 2.96Å; R388-E407 IonicContact NE-OE2 3Å; R388-E407 PolarHBondContact NE-OE2 2.79Å; R388-E407 IonicContact NH2-OE1 2.69Å; R388-E407 PolarHBondContact NH2-OE1 3.25Å; R388-E407 IonicContact NH2-OE2 3.85Å; A403-E407 VanDerWaalsContact O-CB 3.28Å; A403-E407 WeakPolarHBondContact O-CB 3.41Å; A403-E407 PolarHBondContact O-N 3.41Å; A404-E407 PolarHBondContact O-N 3.31Å; E407-S409 VanDerWaalsContact C-N 3.26Å; E407-S409 PolarHBondContact O-N 3.18Å; E407-R410 PolarHBondContact O-N 2.95Å; E407-S411 WeakPolarHBondContact O-CB 3.31Å; E407-S411 PolarHBondContact O-N 3.43Å; E407-S411 PolarHBondContact O-OG 2.9Å; E407-S411 VanDerWaalsContact OE1-CB 3.23Å; E407-S411 WeakPolarHBondContact OE1-CB 3.33Å; E407-S411 PolarHBondContact OE1-OG 3.22Å
408F98.2Very high96.7Very high5 Ų527 Ų272%0.02214%0.143CC..Hα-helixtrans-63.1-37.2-177.7-169.4-99.3000111.4A404 I406 V412 L413 L486 K489 M491 L508A404-F408 WeakPolarHBondContact O-CB 3.41Å; A404-F408 PolarHBondContact O-N 2.84Å; I406-F408 PolarHBondContact O-N 2.91Å; F408-V412 HydrophobicContact CD1-CB 4.38Å; F408-V412 HydrophobicContact CD2-CB 4.16Å; F408-V412 HydrophobicContact CD2-CG2 3.67Å; F408-V412 HydrophobicContact CE1-CB 4.22Å; F408-V412 HydrophobicContact CE1-CG1 4.22Å; F408-V412 HydrophobicContact CE2-CB 3.97Å; F408-V412 HydrophobicContact CE2-CG1 4.1Å; F408-V412 HydrophobicContact CE2-CG2 3.58Å; F408-V412 HydrophobicContact CG-CB 4.36Å; F408-V412 HydrophobicContact CG-CG2 4.27Å; F408-V412 HydrophobicContact CZ-CB 4.01Å; F408-V412 HydrophobicContact CZ-CG1 3.81Å; F408-V412 HydrophobicContact CZ-CG2 4.14Å; F408-V412 WeakPolarHBondContact O-CA 3.47Å; F408-V412 VanDerWaalsContact O-CB 3.27Å; F408-V412 WeakPolarHBondContact O-CB 3.48Å; F408-V412 PolarHBondContact O-N 3.46Å; F408-L413 PolarHBondContact O-N 3.24Å; F408-L486 HydrophobicContact CD1-CD2 3.73Å; F408-L486 HydrophobicContact CE1-CD2 4.37Å; F408-K489 HydrophobicContact CE1-CB 3.88Å; F408-K489 HydrophobicContact CZ-CB 3.93Å; F408-K489 WeakPolarHBondContact CZ-O 3.38Å; F408-M491 HydrophobicContact CB-CE 3.43Å; F408-M491 VanDerWaalsContact CB-CE 3.43Å; F408-M491 HydrophobicContact CB-SD 4.34Å; F408-M491 HydrophobicContact CD1-CB 4.01Å; F408-M491 HydrophobicContact CD1-CE 3.96Å; F408-M491 HydrophobicContact CD1-SD 4.2Å; F408-M491 HydrophobicContact CD2-CE 3.95Å; F408-M491 HydrophobicContact CE1-CB 3.74Å; F408-M491 HydrophobicContact CG-CE 3.51Å; F408-M491 HydrophobicContact CG-SD 4.33Å; F408-M491 HydrophobicContact CZ-CB 4.09Å; F408-L508 HydrophobicContact CD2-CD1 4.06Å; F408-L508 HydrophobicContact CE2-CD1 3.4Å; F408-L508 VanDerWaalsContact CE2-CD1 3.4Å; F408-L508 HydrophobicContact CZ-CD1 3.93Å
409S98.1Very high96.7Very high0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-65.5-43175.5-59.30000112.6V405 I406 E407 L413 A414 L415 L431V405-S409 WeakPolarHBondContact O-CB 3.49Å; V405-S409 PolarHBondContact O-N 3.21Å; V405-S409 PolarHBondContact O-OG 2.71Å; I406-S409 PolarHBondContact O-N 3.28Å; E407-S409 VanDerWaalsContact C-N 3.26Å; E407-S409 PolarHBondContact O-N 3.18Å; S409-L413 CarbonylContact O-C 3.48Å; S409-L413 WeakPolarHBondContact O-CA 3.4Å; S409-L413 WeakPolarHBondContact O-CB 3.4Å; S409-L413 PolarHBondContact O-N 3.31Å; S409-A414 PolarHBondContact O-N 3.14Å; S409-L415 PolarHBondContact O-N 2.83Å; S409-L431 VanDerWaalsContact OG-CD1 3.27Å; S409-L431 WeakPolarHBondContact OG-CD1 3.35Å; S409-L431 WeakPolarHBondContact OG-CG 3.44Å
410R97.5Very high96.6Very high64 Ų6427.3 Ų27.324%0.24215%0.146CC..Hα-helixtrans-68.3-44.6177.5-70.3-179.3-178.9174.73.2111.9E378 I406 E407 L415 A418E378-R410 VanDerWaalsContact CD-NH1 3.31Å; E378-R410 IonicContact OE1-CZ 3.46Å; E378-R410 IonicContact OE1-NH1 2.97Å; E378-R410 PolarHBondContact OE1-NH1 3.41Å; E378-R410 IonicContact OE1-NH2 3.01Å; E378-R410 PolarHBondContact OE1-NH2 2.89Å; E378-R410 IonicContact OE2-CZ 3.97Å; E378-R410 IonicContact OE2-NH1 2.83Å; E378-R410 PolarHBondContact OE2-NH1 3.47Å; I406-R410 HydrophobicContact CG2-CG 4.36Å; I406-R410 WeakPolarHBondContact O-CG 3.49Å; I406-R410 PolarHBondContact O-N 3.22Å; E407-R410 PolarHBondContact O-N 2.95Å; R410-L415 WeakPolarHBondContact CA-O 3.34Å; R410-L415 WeakPolarHBondContact CG-O 3.43Å; R410-A418 HydrophobicContact CG-CB 3.91Å; R410-A418 VanDerWaalsContact CZ-O 3.28Å; R410-A418 PolarHBondContact NE-O 2.8Å; R410-A418 PolarHBondContact NH2-O 2.79Å
411S96.7Very high96.4Very high51 Ų5130.7 Ų30.736%0.35716%0.163SC..Hα-helixtrans-83.5-41.8-172.2-62.50000113.6R388 E407R388-S411 VanDerWaalsContact NH2-CB 3.31Å; E407-S411 WeakPolarHBondContact O-CB 3.31Å; E407-S411 PolarHBondContact O-N 3.43Å; E407-S411 PolarHBondContact O-OG 2.9Å; E407-S411 VanDerWaalsContact OE1-CB 3.23Å; E407-S411 WeakPolarHBondContact OE1-CB 3.33Å; E407-S411 PolarHBondContact OE1-OG 3.22Å
412V97Very high96Very high54 Ų5432.3 Ų32.333%0.32718%0.177SC..THydrogen-bonded Turntrans-104.9-40.8-170.3-176.40000112F408 A414 K489F408-V412 HydrophobicContact CD1-CB 4.38Å; F408-V412 HydrophobicContact CD2-CB 4.16Å; F408-V412 HydrophobicContact CD2-CG2 3.67Å; F408-V412 HydrophobicContact CE1-CB 4.22Å; F408-V412 HydrophobicContact CE1-CG1 4.22Å; F408-V412 HydrophobicContact CE2-CB 3.97Å; F408-V412 HydrophobicContact CE2-CG1 4.1Å; F408-V412 HydrophobicContact CE2-CG2 3.58Å; F408-V412 HydrophobicContact CG-CB 4.36Å; F408-V412 HydrophobicContact CG-CG2 4.27Å; F408-V412 HydrophobicContact CZ-CB 4.01Å; F408-V412 HydrophobicContact CZ-CG1 3.81Å; F408-V412 HydrophobicContact CZ-CG2 4.14Å; F408-V412 WeakPolarHBondContact O-CA 3.47Å; F408-V412 VanDerWaalsContact O-CB 3.27Å; F408-V412 WeakPolarHBondContact O-CB 3.48Å; F408-V412 PolarHBondContact O-N 3.46Å; V412-A414 VanDerWaalsContact C-N 3.29Å; V412-K489 HydrophobicContact CG1-CB 4.01Å; V412-K489 HydrophobicContact CG1-CG 4.3Å
413L96.4Very high95.7Very high22 Ų2234.1 Ų34.112%0.11519%0.186CC..SBendtrans-84.8-2.2175-61176.7000113.5F408 S409 L415 R485 L486 K489F408-L413 PolarHBondContact O-N 3.24Å; S409-L413 CarbonylContact O-C 3.48Å; S409-L413 WeakPolarHBondContact O-CA 3.4Å; S409-L413 WeakPolarHBondContact O-CB 3.4Å; S409-L413 PolarHBondContact O-N 3.31Å; L413-L415 HydrophobicContact CB-CD1 4.17Å; L413-L415 HydrophobicContact CB-CG 3.99Å; L413-L415 HydrophobicContact CD1-CD1 4.32Å; L413-L415 PolarHBondContact O-N 3.1Å; L413-L415 VanDerWaalsContact O-N 3.17Å; L413-R485 HydrophobicContact CD1-CB 4.26Å; L413-L486 HydrophobicContact CD1-CD2 3.73Å; L413-L486 HydrophobicContact CD1-CG 4.21Å; L413-K489 HydrophobicContact CD2-CB 4.23Å; L413-K489 HydrophobicContact CD2-CG 3.45Å; L413-K489 VanDerWaalsContact CD2-CG 3.45Å
414A95.5Very high95.4Very high73 Ų7337.2 Ų37.260%0.60320%0.202SC*.  trans56.323.7-176.900000114.6S409 V412 K416S409-A414 PolarHBondContact O-N 3.14Å; V412-A414 VanDerWaalsContact C-N 3.29Å; A414-K416 PolarHBondContact O-N 2.88Å; A414-K416 VanDerWaalsContact O-N 3.09Å
415L95.8Very high95.1Very high21 Ų2142.1 Ų42.111%0.1123%0.234CC..  trans-83.179.9176.7-62.8179.6000109.8S409 R410 L413 E417 A418 D429 Y482S409-L415 PolarHBondContact O-N 2.83Å; R410-L415 WeakPolarHBondContact CA-O 3.34Å; R410-L415 WeakPolarHBondContact CG-O 3.43Å; L413-L415 HydrophobicContact CB-CD1 4.17Å; L413-L415 HydrophobicContact CB-CG 3.99Å; L413-L415 HydrophobicContact CD1-CD1 4.32Å; L413-L415 PolarHBondContact O-N 3.1Å; L413-L415 VanDerWaalsContact O-N 3.17Å; L415-E417 PolarHBondContact O-N 2.63Å; L415-A418 HydrophobicContact CB-CB 3.99Å; L415-A418 WeakPolarHBondContact O-CB 3.44Å; L415-A418 PolarHBondContact O-N 2.81Å; L415-D429 HydrophobicContact CB-CB 4.47Å; L415-Y482 HydrophobicContact CD1-CD1 3.97Å; L415-Y482 HydrophobicContact CD1-CE1 3.67Å
416K93.6Very high94.9Very high182 Ų18253.1 Ų53.179%0.79128%0.275SS*.THydrogen-bonded Turntrans-59.9-31.1-172.8-65.1-175.6-178.9179.10113.9A414 A418A414-K416 PolarHBondContact O-N 2.88Å; A414-K416 VanDerWaalsContact O-N 3.09Å; K416-A418 VanDerWaalsContact C-N 3.32Å
417E94.2Very high94.7Very high87 Ų8753.9 Ų53.941%0.40728%0.28SS..THydrogen-bonded Turntrans-86.3-1.4179.7-66.3-174-167.700113.1L415 A419 T427 K428L415-E417 PolarHBondContact O-N 2.63Å; E417-A419 PolarHBondContact O-N 2.91Å; E417-T427 PolarHBondContact O-OG1 3.09Å; E417-K428 IonicContact OE1-NZ 3.19Å; E417-K428 PolarHBondContact OE1-NZ 3.02Å; E417-K428 WeakPolarHBondContact OE2-CB 3.43Å; E417-K428 VanDerWaalsContact OE2-CD 3.24Å; E417-K428 WeakPolarHBondContact OE2-CD 3.49Å; E417-K428 VanDerWaalsContact OE2-CG 3.23Å; E417-K428 WeakPolarHBondContact OE2-CG 3.12Å; E417-K428 IonicContact OE2-NZ 3.77Å
418A96.4Very high94.5Very high0 Ų061.1 Ų61.10%031%0.312CS..  trans-50.9124.5-178.700000111.9I406 R410 L415 K416 D429 L431I406-A418 WeakPolarHBondContact CG2-O 3.41Å; R410-A418 HydrophobicContact CG-CB 3.91Å; R410-A418 VanDerWaalsContact CZ-O 3.28Å; R410-A418 PolarHBondContact NE-O 2.8Å; R410-A418 PolarHBondContact NH2-O 2.79Å; L415-A418 HydrophobicContact CB-CB 3.99Å; L415-A418 WeakPolarHBondContact O-CB 3.44Å; L415-A418 PolarHBondContact O-N 2.81Å; K416-A418 VanDerWaalsContact C-N 3.32Å; A418-D429 WeakPolarHBondContact CA-O 3.36Å; A418-D429 HydrophobicContact CB-CB 4.2Å; A418-L431 HydrophobicContact CB-CD2 3.39Å; A418-L431 HydrophobicContact CB-CG 4.15Å
419A95.7Very high94.4Very high4 Ų462.2 Ų62.23%0.03332%0.317CS..EExtended strand (participates in β ladder)trans-156.3170.1-178.600000111.3E417 N424 T427 D429 L431E417-A419 PolarHBondContact O-N 2.91Å; A419-N424 HydrophobicContact CB-CB 4.12Å; A419-T427 HydrophobicContact CB-CG2 4.26Å; A419-D429 PolarHBondContact N-O 3.34Å; A419-D429 VanDerWaalsContact N-O 3.12Å; A419-L431 PolarHBondContact O-N 2.94Å
420S93.7Very high94.3Very high5 Ų563.7 Ų63.74%0.03533%0.327CS..EExtended strand (participates in β ladder)trans-78.5149.9163.166.70000111.1A422 Q423 N424S420-A422 PolarHBondContact O-N 3.37Å; S420-Q423 PolarHBondContact O-N 3.07Å; S420-Q423 VanDerWaalsContact O-N 3.09Å; S420-Q423 VanDerWaalsContact OG-CB 3.29Å; S420-Q423 WeakPolarHBondContact OG-CB 3.29Å; S420-Q423 VanDerWaalsContact OG-CG 3.22Å; S420-Q423 WeakPolarHBondContact OG-CG 3.22Å; S420-Q423 PolarHBondContact OG-N 3.27Å; S420-Q423 PolarHBondContact OG-OE1 3.41Å; S420-N424 PolarHBondContact O-N 3.15Å
421I92.1Very high94.2Very high70 Ų7060.6 Ų60.636%0.35932%0.315SS..THydrogen-bonded Turntrans-60.1-28.5171.2-66.3-179.1000110.8N424 P425 P430 I432 V433I421-N424 CarbonylContact O-C 3.59Å; I421-P425 WeakPolarHBondContact O-CA 3.35Å; I421-P425 WeakPolarHBondContact O-CD 3.49Å; I421-P425 WeakPolarHBondContact O-CG 3.39Å; I421-P430 HydrophobicContact CD1-CB 4.11Å; I421-P430 HydrophobicContact CG1-CB 3.78Å; I421-I432 PolarHBondContact N-O 3.15Å; I421-V433 HydrophobicContact CD1-CB 4.08Å; I421-V433 HydrophobicContact CD1-CG1 3.67Å; I421-V433 HydrophobicContact CG1-CG1 4.3Å
422A89.2Confident94.1Very high35 Ų3558.2 Ų58.229%0.28930%0.299SS..THydrogen-bonded Turntrans-66.4-39.8175.100000112.7S420 F476S420-A422 PolarHBondContact O-N 3.37Å; A422-F476 HydrophobicContact CB-CE1 4.04Å; A422-F476 HydrophobicContact CB-CE2 4.09Å; A422-F476 HydrophobicContact CB-CZ 3.6Å
423Q90.1Very high94Very high43 Ų4356.7 Ų56.720%0.20129%0.29CS..THydrogen-bonded Turntrans-75.1-47.2177.1-81.1172-59.100112.8I375 L377 S420I375-Q423 HydrophobicContact CG2-CG 4.29Å; I375-Q423 WeakPolarHBondContact O-CG 3.36Å; I375-Q423 PolarHBondContact O-NE2 3Å; L377-Q423 VanDerWaalsContact N-NE2 3.17Å; S420-Q423 PolarHBondContact O-N 3.07Å; S420-Q423 VanDerWaalsContact O-N 3.09Å; S420-Q423 VanDerWaalsContact OG-CB 3.29Å; S420-Q423 WeakPolarHBondContact OG-CB 3.29Å; S420-Q423 VanDerWaalsContact OG-CG 3.22Å; S420-Q423 WeakPolarHBondContact OG-CG 3.22Å; S420-Q423 PolarHBondContact OG-N 3.27Å; S420-Q423 PolarHBondContact OG-OE1 3.41Å
424N92.3Very high93.6Very high65 Ų6557.8 Ų57.835%0.34830%0.299SS..  trans-141.894.9-176.7-177.82.3000109.6A419 S420 I421 R426 T427A419-N424 HydrophobicContact CB-CB 4.12Å; S420-N424 PolarHBondContact O-N 3.15Å; I421-N424 CarbonylContact O-C 3.59Å; N424-R426 PolarHBondContact O-N 2.83Å; N424-R426 PolarHBondContact OD1-N 3.07Å; N424-T427 VanDerWaalsContact O-CG2 3.32Å; N424-T427 WeakPolarHBondContact O-CG2 3.37Å; N424-T427 PolarHBondContact O-N 3.13Å; N424-T427 VanDerWaalsContact O-N 3.17Å; N424-T427 PolarHBondContact OD1-N 3.35Å
425P91.2Very high92.5Very high103 Ų10355.6 Ų55.667%0.66928%0.278SS*.THydrogen-bonded Turntrans-60.9-15.7178.1-24.433.2000114.6I421I421-P425 WeakPolarHBondContact O-CA 3.35Å; I421-P425 WeakPolarHBondContact O-CD 3.49Å; I421-P425 WeakPolarHBondContact O-CG 3.39Å
426R93Very high91Very high230 Ų23058 Ų5887%0.86829%0.293SS*.THydrogen-bonded Turntrans-106.710.6-178-62.1-176179.6178.2-0.1113.3N424N424-R426 PolarHBondContact O-N 2.83Å; N424-R426 PolarHBondContact OD1-N 3.07Å
427T93.6Very high88.9Confident16 Ų1657.5 Ų57.510%0.09830%0.299CS..  trans-60.7139.8177.4-179.90000111.1E417 A419 N424 D429 P430E417-T427 PolarHBondContact O-OG1 3.09Å; A419-T427 HydrophobicContact CB-CG2 4.26Å; N424-T427 VanDerWaalsContact O-CG2 3.32Å; N424-T427 WeakPolarHBondContact O-CG2 3.37Å; N424-T427 PolarHBondContact O-N 3.13Å; N424-T427 VanDerWaalsContact O-N 3.17Å; N424-T427 PolarHBondContact OD1-N 3.35Å; T427-D429 PolarHBondContact OG1-N 3.04Å; T427-D429 PolarHBondContact OG1-O 2.78Å; T427-P430 HydrophobicContact CG2-CB 3.94Å
428K94Very high86.8Confident154 Ų15463.9 Ų63.967%0.6732%0.32SS*.SBendtrans-71.8-20.1169.8-65.5176.1-166.7149.40112.5E417 P430E417-K428 IonicContact OE1-NZ 3.19Å; E417-K428 PolarHBondContact OE1-NZ 3.02Å; E417-K428 WeakPolarHBondContact OE2-CB 3.43Å; E417-K428 VanDerWaalsContact OE2-CD 3.24Å; E417-K428 WeakPolarHBondContact OE2-CD 3.49Å; E417-K428 VanDerWaalsContact OE2-CG 3.23Å; E417-K428 WeakPolarHBondContact OE2-CG 3.12Å; E417-K428 IonicContact OE2-NZ 3.77Å; K428-P430 VanDerWaalsContact C-CD 3.5Å; K428-P430 WeakPolarHBondContact O-CD 3.42Å
429D96.2Very high84.3Confident27 Ų2774 Ų7414%0.14436%0.364CS..SBendtrans-121.878.7-178.2-69.6-60.6000110.9L415 A418 A419 T427 L431 Y482L415-D429 HydrophobicContact CB-CB 4.47Å; A418-D429 WeakPolarHBondContact CA-O 3.36Å; A418-D429 HydrophobicContact CB-CB 4.2Å; A419-D429 PolarHBondContact N-O 3.34Å; A419-D429 VanDerWaalsContact N-O 3.12Å; T427-D429 PolarHBondContact OG1-N 3.04Å; T427-D429 PolarHBondContact OG1-O 2.78Å; D429-L431 HydrophobicContact CB-CD2 3.84Å; D429-L431 WeakPolarHBondContact O-CD2 3.33Å; D429-L431 PolarHBondContact O-N 3.04Å; D429-Y482 WeakPolarHBondContact CA-OH 3.33Å; D429-Y482 PolarHBondContact OD1-OH 2.83Å
430P95.7Very high82.4Confident31 Ų3175.1 Ų75.120%0.20138%0.375CS..EExtended strand (participates in β ladder)trans-80.186.6-18032.1-34.5000110.5I421 T427 K428 V433 N479I421-P430 HydrophobicContact CD1-CB 4.11Å; I421-P430 HydrophobicContact CG1-CB 3.78Å; T427-P430 HydrophobicContact CG2-CB 3.94Å; K428-P430 VanDerWaalsContact C-CD 3.5Å; K428-P430 WeakPolarHBondContact O-CD 3.42Å; P430-V433 HydrophobicContact CB-CG1 4.27Å; P430-N479 VanDerWaalsContact O-CB 3.24Å; P430-N479 WeakPolarHBondContact O-CB 3.41Å; P430-N479 PolarHBondContact O-ND2 3.33Å
431L96Very high81.5Confident0 Ų078.1 Ų78.10%040%0.4CS..EExtended strand (participates in β ladder)trans-72.8-31.1-178.4-84.4-61.3000112.5V405 I406 S409 A418 A419 D429 N479 Y482V405-L431 HydrophobicContact CG1-CB 4.32Å; V405-L431 HydrophobicContact CG1-CD1 4.21Å; V405-L431 HydrophobicContact CG1-CG 4.46Å; I406-L431 HydrophobicContact CG1-CB 4.27Å; S409-L431 VanDerWaalsContact OG-CD1 3.27Å; S409-L431 WeakPolarHBondContact OG-CD1 3.35Å; S409-L431 WeakPolarHBondContact OG-CG 3.44Å; A418-L431 HydrophobicContact CB-CD2 3.39Å; A418-L431 HydrophobicContact CB-CG 4.15Å; A419-L431 PolarHBondContact O-N 2.94Å; D429-L431 HydrophobicContact CB-CD2 3.84Å; D429-L431 WeakPolarHBondContact O-CD2 3.33Å; D429-L431 PolarHBondContact O-N 3.04Å; L431-N479 WeakPolarHBondContact O-CB 3.28Å; L431-N479 PolarHBondContact O-N 3.42Å; L431-Y482 HydrophobicContact CD1-CD1 3.76Å; L431-Y482 HydrophobicContact CD1-CD2 4.23Å; L431-Y482 HydrophobicContact CD1-CE1 4.44Å; L431-Y482 HydrophobicContact CD1-CG 3.64Å; L431-Y482 HydrophobicContact CD2-CD1 4.48Å; L431-Y482 HydrophobicContact CD2-CE1 4.37Å
432I95.3Very high81.1Confident0 Ų077.4 Ų77.40%040%0.397CS..EExtended strand (participates in β ladder)trans-122.6119.1-177.5-52.4-64.1000108.8Y402 V405 I406 I421 F476 Q477 V478Y402-I432 HydrophobicContact CD1-CD1 3.7Å; Y402-I432 HydrophobicContact CD1-CG1 4.37Å; Y402-I432 HydrophobicContact CD1-CG2 4.09Å; Y402-I432 HydrophobicContact CD2-CG2 3.96Å; Y402-I432 HydrophobicContact CE1-CG2 4.45Å; Y402-I432 HydrophobicContact CE2-CG2 4.31Å; Y402-I432 HydrophobicContact CG-CD1 3.98Å; Y402-I432 HydrophobicContact CG-CG1 4.17Å; Y402-I432 HydrophobicContact CG-CG2 3.86Å; V405-I432 HydrophobicContact CB-CD1 4.39Å; V405-I432 HydrophobicContact CG1-CD1 4.38Å; I406-I432 HydrophobicContact CD1-CG1 4.05Å; I406-I432 HydrophobicContact CG1-CG1 4.17Å; I421-I432 PolarHBondContact N-O 3.15Å; I432-F476 HydrophobicContact CG2-CB 3.64Å; I432-F476 HydrophobicContact CG2-CG 4.32Å; I432-Q477 WeakPolarHBondContact CA-O 3.44Å; I432-V478 HydrophobicContact CD1-CG2 4.02Å
433V93.3Very high81.1Confident23 Ų2376.7 Ų76.714%0.13939%0.387CS..EExtended strand (participates in β ladder)trans-124.9162.8-169.5-59.70000111I421 P430 F476 Q477 N479I421-V433 HydrophobicContact CD1-CB 4.08Å; I421-V433 HydrophobicContact CD1-CG1 3.67Å; I421-V433 HydrophobicContact CG1-CG1 4.3Å; P430-V433 HydrophobicContact CB-CG1 4.27Å; V433-F476 CarbonylContact O-C 3.44Å; V433-F476 WeakPolarHBondContact O-CA 3.28Å; V433-F476 WeakPolarHBondContact O-CB 3.28Å; V433-Q477 HydrophobicContact CG2-CG 4.03Å; V433-Q477 PolarHBondContact N-O 3.22Å; V433-Q477 PolarHBondContact O-N 3.01Å; V433-N479 HydrophobicContact CG1-CB 3.87Å; V433-N479 HydrophobicContact CG2-CB 4.19Å
434C88.8Confident81.2Confident45 Ų4576.9 Ų76.930%0.30439%0.387SS..EExtended strand (participates in β ladder)trans-72.5147176.7-164.30000110.6T436 F476C434-T436 VanDerWaalsContact C-N 3.27Å; C434-T436 PolarHBondContact O-N 3.49Å; C434-F476 HydrophobicContact CB-CD1 4.49Å
435T72.8Confident81.3Confident27 Ų2773.9 Ų73.917%0.16637%0.371CS..SBendtrans-63.7-21-174.845.60000115.4K475 Q477T435-K475 PolarHBondContact N-O 3.34Å; T435-K475 VanDerWaalsContact N-O 3.17Å; T435-K475 PolarHBondContact OG1-O 3.41Å; T435-Q477 HydrophobicContact CG2-CB 4.2Å; T435-Q477 HydrophobicContact CG2-CG 4.22Å
436T63.8Low81.4Confident70 Ų7071.8 Ų71.843%0.42935%0.354SS..  trans-157149.6-179.353.30000113C434 R438C434-T436 VanDerWaalsContact C-N 3.27Å; C434-T436 PolarHBondContact O-N 3.49Å; T436-R438 PolarHBondContact O-N 3.13Å; T436-R438 PolarHBondContact OG1-O 2.75Å
437D50.2Low81.5Confident173 Ų17366.5 Ų66.593%0.92533%0.334SS*.THydrogen-bonded Turntrans-59.2-26168.1-69.7-25.5000113.2K439D437-K439 VanDerWaalsContact C-N 3.33Å; D437-K439 PolarHBondContact O-N 3.49Å
438R48.7Very low81.5Confident221 Ų22171.1 Ų71.183%0.83435%0.349SS*.THydrogen-bonded Turntrans-68.694.6167.7-66.1-174.2-176.8178.71.8108T436 G440T436-R438 PolarHBondContact O-N 3.13Å; T436-R438 PolarHBondContact OG1-O 2.75Å; R438-G440 PolarHBondContact O-N 2.74Å
439K45.1Very low81.5Confident213 Ų21363.8 Ų63.893%0.92632%0.317SS*.THydrogen-bonded Turntrans-34.390.7179.6-66.5178.1177.71770113.4D437D437-K439 VanDerWaalsContact C-N 3.33Å; D437-K439 PolarHBondContact O-N 3.49Å
440G55.1Low81.4Confident26 Ų2665.5 Ų65.527%0.26833%0.329SS..THydrogen-bonded Turntrans93.724149.100000120.4R438 I442R438-G440 PolarHBondContact O-N 2.74Å; G440-I442 PolarHBondContact O-N 3.39Å
441A75.7Confident81.3Confident69 Ų6964.5 Ų64.557%0.5732%0.322SS*.  trans-67.7118.8165.500000110.4
442I84Confident80.9Confident54 Ų5466.7 Ų66.728%0.27734%0.337SS..  trans-75.6129.1178.3-55.8158000108.5Y372 G440 K444Y372-I442 HydrophobicContact CE1-CG2 4.14Å; Y372-I442 WeakPolarHBondContact OH-CD1 3.41Å; G440-I442 PolarHBondContact O-N 3.39Å; I442-K444 HydrophobicContact CB-CD 4.47Å; I442-K444 HydrophobicContact CB-CG 4.13Å; I442-K444 HydrophobicContact CG2-CD 4.18Å; I442-K444 VanDerWaalsContact CG2-CE 3.47Å; I442-K444 HydrophobicContact CG2-CG 3.6Å; I442-K444 PolarHBondContact O-N 2.76Å
443R88.7Confident80.1Confident21 Ų2172 Ų728%0.07937%0.371CS..EExtended strand (participates in β ladder)trans-74.7109.6170.2177.9174.359.2153.4-22.5108.8R447 H472 R473 S474 R502 D504 D518R443-R447 HydrophobicContact CG-CG 4.32Å; R443-H472 HydrophobicContact CG-CB 3.95Å; R443-H472 PolarHBondContact NH1-CE1 3.04Å; R443-H472 PolarHBondContact NH1-ND1 3.3Å; R443-H472 PolarHBondContact NH1-NE2 2.88Å; R443-H472 CarbonylContact O-C 3.44Å; R443-R473 CarbonylContact O-C 3.59Å; R443-R473 WeakPolarHBondContact O-CA 3.21Å; R443-R473 PolarHBondContact O-N 3.18Å; R443-S474 VanDerWaalsContact CB-O 3.32Å; R443-S474 WeakPolarHBondContact CB-O 3.38Å; R443-S474 PolarHBondContact N-O 3.38Å; R443-S474 PolarHBondContact O-N 3.04Å; R443-R502 VanDerWaalsContact NH1-CD 3.26Å; R443-R502 VanDerWaalsContact NH1-CZ 3.29Å; R443-D504 IonicContact CZ-OD1 3.35Å; R443-D504 IonicContact NH1-OD1 3.16Å; R443-D504 PolarHBondContact NH1-OD1 3.1Å; R443-D504 IonicContact NH1-OD2 3.87Å; R443-D504 IonicContact NH2-OD1 3.62Å; R443-D504 PolarHBondContact NH2-OD1 3.06Å; R443-D518 IonicContact CZ-OD2 3.77Å; R443-D518 VanDerWaalsContact CZ-OD2 3.31Å; R443-D518 IonicContact NE-OD2 3.85Å; R443-D518 IonicContact NH1-OD2 3.13Å; R443-D518 VanDerWaalsContact NH2-CG 3.29Å; R443-D518 IonicContact NH2-OD1 3.49Å; R443-D518 IonicContact NH2-OD2 3.49Å; R443-D518 PolarHBondContact NH2-OD2 3.21Å
444K91.7Very high79Confident47 Ų4776 Ų7620%0.20439%0.389CS..EExtended strand (participates in β ladder)trans-122159.2179-54.5-175.9-169.2-179.70111.7G65 E67 I442 H472G65-K444 WeakPolarHBondContact O-CD 3.38Å; E67-K444 HydrophobicContact CG-CD 4.14Å; E67-K444 WeakPolarHBondContact OE1-CD 3.42Å; E67-K444 WeakPolarHBondContact OE1-CE 3.42Å; E67-K444 IonicContact OE1-NZ 3.15Å; E67-K444 PolarHBondContact OE1-NZ 3.47Å; E67-K444 IonicContact OE2-NZ 3.37Å; E67-K444 PolarHBondContact OE2-NZ 3.21Å; I442-K444 HydrophobicContact CB-CD 4.47Å; I442-K444 HydrophobicContact CB-CG 4.13Å; I442-K444 HydrophobicContact CG2-CD 4.18Å; I442-K444 VanDerWaalsContact CG2-CE 3.47Å; I442-K444 HydrophobicContact CG2-CG 3.6Å; I442-K444 PolarHBondContact O-N 2.76Å; K444-H472 CarbonylContact C-O 3.47Å; K444-H472 VanDerWaalsContact CA-O 3.26Å; K444-H472 WeakPolarHBondContact CA-O 2.93Å
445G94.1Very high78.2Confident1 Ų179.7 Ų79.71%0.0141%0.412CS..EExtended strand (participates in β ladder)trans79.5-167.8170.100000113.8L62 D63 G65 R447 R471 H472L62-G445 WeakPolarHBondContact O-CA 3.5Å; D63-G445 WeakPolarHBondContact O-CA 3.38Å; G65-G445 VanDerWaalsContact CA-CA 3.48Å; G445-R447 PolarHBondContact O-N 2.91Å; G445-R471 WeakPolarHBondContact O-CA 3.21Å; G445-H472 PolarHBondContact N-O 3.39Å; G445-H472 VanDerWaalsContact N-O 3.08Å; G445-H472 PolarHBondContact O-N 2.93Å
446L94.4Very high78.8Confident60 Ų6078.6 Ų78.631%0.31441%0.405SS..EExtended strand (participates in β ladder)trans-67.5126.1-174.9-162.770.9000110.5D63 D469 E470 R471D63-L446 HydrophobicContact CB-CB 4.03Å; D63-L446 HydrophobicContact CB-CD2 4.5Å; D63-L446 WeakPolarHBondContact O-CB 3.24Å; D63-L446 PolarHBondContact O-N 2.84Å; L446-D469 VanDerWaalsContact CD1-C 3.47Å; L446-D469 HydrophobicContact CD1-CB 3.78Å; L446-D469 WeakPolarHBondContact CD1-O 3.39Å; L446-D469 HydrophobicContact CD2-CB 4.02Å; L446-D469 HydrophobicContact CG-CB 3.84Å; L446-E470 WeakPolarHBondContact CA-O 3.38Å; L446-R471 HydrophobicContact CD1-CG 4.49Å
447R93.7Very high79.9Confident118 Ų11876.6 Ų76.645%0.44539%0.391SS..EExtended strand (participates in β ladder)trans-135.5144.9173.4-55.3-72174.6169.4-3.9109.7R443 G445 D469 E470 H472R443-R447 HydrophobicContact CG-CG 4.32Å; G445-R447 PolarHBondContact O-N 2.91Å; R447-D469 WeakPolarHBondContact O-CA 3.43Å; R447-E470 PolarHBondContact N-O 3.46Å; R447-E470 PolarHBondContact O-N 3.06Å; R447-H472 VanDerWaalsContact CB-CD2 3.49Å; R447-H472 WeakPolarHBondContact CB-CD2 3.42Å
448R94.1Very high81.7Confident113 Ų11368.3 Ų68.343%0.42635%0.347SS..EExtended strand (participates in β ladder)trans-78.8129.7174.8-171.1155.9-68.9-175.6-3.5111.7F467 V468 D469R448-F467 HydrophobicContact CG-CB 3.91Å; R448-F467 HydrophobicContact CG-CD2 4.33Å; R448-F467 HydrophobicContact CG-CG 4.36Å; R448-F467 VanDerWaalsContact CZ-CD2 3.43Å; R448-F467 VanDerWaalsContact NE-CD2 3.34Å; R448-F467 VanDerWaalsContact NH2-CE2 3.27Å; R448-V468 WeakPolarHBondContact CA-O 3.14Å; R448-D469 WeakPolarHBondContact CA-OD1 3.45Å; R448-D469 WeakPolarHBondContact CB-OD1 3.32Å; R448-D469 WeakPolarHBondContact CG-OD1 3.31Å; R448-D469 IonicContact CZ-OD1 2.84Å; R448-D469 IonicContact CZ-OD2 3.77Å; R448-D469 IonicContact NE-OD1 3.94Å; R448-D469 PolarHBondContact NE-OD1 3.32Å; R448-D469 IonicContact NE-OD2 3.37Å; R448-D469 IonicContact NH2-OD1 2.75Å; R448-D469 IonicContact NH2-OD2 3.89Å; R448-D469 PolarHBondContact NH2-OD2 2.86Å
449T94.2Very high83.6Confident0 Ų058.1 Ų58.10%031%0.31CS..EExtended strand (participates in β ladder)trans-116.4123.9168.7-630000108.2L451 F467 V468 R496 D504 V505T449-L451 HydrophobicContact CG2-CD2 4.31Å; T449-F467 CarbonylContact O-C 3.54Å; T449-F467 WeakPolarHBondContact O-CA 3.37Å; T449-V468 HydrophobicContact CG2-CG2 4.41Å; T449-V468 PolarHBondContact N-O 3.02Å; T449-V468 PolarHBondContact O-N 3.4Å; T449-R496 CarbonylContact C-O 3.5Å; T449-R496 WeakPolarHBondContact CA-O 3.28Å; T449-D504 HydrophobicContact CG2-CB 3.75Å; T449-D504 WeakPolarHBondContact OG1-CB 3.49Å; T449-D504 PolarHBondContact OG1-OD2 3.02Å; T449-D504 VanDerWaalsContact OG1-OD2 3.04Å; T449-V505 HydrophobicContact CG2-CG2 4.27Å
450V94.4Very high85.5Confident64 Ų6452.8 Ų52.839%0.38828%0.284SS..EExtended strand (participates in β ladder)trans-84.5126.4174.6-179.10000107.8G495 R496 A498V450-G495 WeakPolarHBondContact O-CA 3.32Å; V450-R496 PolarHBondContact N-O 3.22Å; V450-R496 PolarHBondContact O-N 3Å; V450-A498 HydrophobicContact CG2-CB 4.3Å
451L92.5Very high87Confident10 Ų1051.6 Ų51.65%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-91.5136.7178-59.8-177000109.9T449 T458 Y462 R466 V468 V494T449-L451 HydrophobicContact CG2-CD2 4.31Å; L451-T458 HydrophobicContact CD1-CG2 4.21Å; L451-T458 HydrophobicContact CD2-CG2 4.04Å; L451-Y462 HydrophobicContact CD1-CD2 4.42Å; L451-R466 PolarHBondContact N-O 2.89Å; L451-V468 HydrophobicContact CD1-CG1 3.79Å; L451-V468 HydrophobicContact CD2-CG2 4.17Å; L451-V468 HydrophobicContact CG-CG1 4.4Å; L451-V468 HydrophobicContact CG-CG2 4.37Å; L451-V494 CarbonylContact C-O 3.6Å; L451-V494 WeakPolarHBondContact CA-O 3.34Å
452S88.6Confident87.5Confident45 Ų4548.8 Ų48.832%0.31525%0.246SC..PPolyproline II helixtrans-62.2143.6169.8-67.50000109.6V494S452-V494 PolarHBondContact N-O 3.13Å; S452-V494 PolarHBondContact OG-O 3.18Å
453P78.9Confident87.4Confident111 Ų11148.8 Ų48.872%0.72126%0.259SS*.PPolyproline II helixtrans-62.5169.3173.728.1-34.2000111.4
454E69.5Low87Confident109 Ų10949.9 Ų49.951%0.50928%0.277SS..SBendtrans-49.9141.8177.3-67.3-151162.900112.5R460E454-R460 VanDerWaalsContact CD-NE 3.3Å; E454-R460 WeakPolarHBondContact OE1-CG 3.45Å; E454-R460 IonicContact OE1-CZ 2.98Å; E454-R460 IonicContact OE1-NE 3.21Å; E454-R460 PolarHBondContact OE1-NE 3.11Å; E454-R460 IonicContact OE1-NH2 3.21Å; E454-R460 IonicContact OE2-CZ 2.6Å; E454-R460 IonicContact OE2-NE 3Å; E454-R460 PolarHBondContact OE2-NE 3.23Å; E454-R460 IonicContact OE2-NH2 3.5Å; E454-R460 PolarHBondContact OE2-NH2 3.12Å
455P72.7Confident86.6Confident122 Ų12249.8 Ų49.879%0.79228%0.278SS*.SBendcis-98.248.820.538.3-36.8000116.3
456S84.2Confident86.3Confident4 Ų459.7 Ų59.73%0.02832%0.315CS..  trans-72.5125.5169.2171.10000112.7T458 S459 R460 E507S456-T458 VanDerWaalsContact C-N 3.35Å; S456-T458 PolarHBondContact OG-N 3.3Å; S456-S459 PolarHBondContact O-N 3.43Å; S456-S459 PolarHBondContact OG-N 3.45Å; S456-R460 PolarHBondContact O-N 3.03Å; S456-E507 PolarHBondContact OG-OE1 3.35Å; S456-E507 VanDerWaalsContact OG-OE1 3.13Å
457M88.3Confident86.1Confident27 Ų2761.3 Ų61.313%0.13332%0.32CS..Hα-helixtrans-64.6-40.1172.8175.8-177.560.500111.5S459 R460 L461 E507 F513 V515 L545 L549M457-S459 VanDerWaalsContact C-N 3.33Å; M457-S459 PolarHBondContact O-N 3.17Å; M457-R460 WeakPolarHBondContact O-CB 3.44Å; M457-R460 PolarHBondContact O-N 3.4Å; M457-R460 VanDerWaalsContact O-N 3.15Å; M457-L461 HydrophobicContact CG-CD1 4.27Å; M457-L461 HydrophobicContact CG-CG 4.47Å; M457-L461 PolarHBondContact O-N 3.05Å; M457-E507 PolarHBondContact N-OE1 2.69Å; M457-E507 PolarHBondContact N-OE2 2.96Å; M457-E507 VanDerWaalsContact N-OE2 3.15Å; M457-F513 HydrophobicContact CE-CD2 3.5Å; M457-F513 HydrophobicContact CE-CE2 3.76Å; M457-F513 HydrophobicContact CE-CG 4.31Å; M457-F513 HydrophobicContact SD-CD2 3.67Å; M457-F513 HydrophobicContact SD-CE2 4.17Å; M457-V515 HydrophobicContact CE-CG2 3.18Å; M457-L545 HydrophobicContact SD-CD2 3.8Å; M457-L549 HydrophobicContact CG-CD1 3.93Å
458T88Confident86Confident0 Ų055.9 Ų55.90%030%0.3CS..Hα-helixtrans-58.1-45.5177.3-60.60000110.8L451 S456 R460 L461 Y462 V505 E507 F533L451-T458 HydrophobicContact CD1-CG2 4.21Å; L451-T458 HydrophobicContact CD2-CG2 4.04Å; S456-T458 VanDerWaalsContact C-N 3.35Å; S456-T458 PolarHBondContact OG-N 3.3Å; T458-R460 VanDerWaalsContact C-N 3.28Å; T458-R460 PolarHBondContact O-N 3.08Å; T458-L461 PolarHBondContact O-N 3.18Å; T458-Y462 HydrophobicContact CG2-CD2 4.05Å; T458-Y462 HydrophobicContact CG2-CE2 4.16Å; T458-Y462 WeakPolarHBondContact O-CD2 3.5Å; T458-Y462 PolarHBondContact O-N 3.3Å; T458-Y462 VanDerWaalsContact O-N 3.16Å; T458-V505 HydrophobicContact CG2-CG1 4.21Å; T458-E507 WeakPolarHBondContact CA-OE1 3.45Å; T458-E507 WeakPolarHBondContact CB-OE1 3.48Å; T458-E507 PolarHBondContact N-OE1 3.32Å; T458-E507 PolarHBondContact OG1-OE1 3.32Å; T458-F533 HydrophobicContact CG2-CE1 3.66Å; T458-F533 HydrophobicContact CG2-CZ 3.54Å
459S86.8Confident85.9Confident7 Ų752.3 Ų52.35%0.04929%0.29CS..Hα-helixtrans-56.7-43.3176.7-173.40000111.6S456 M457 Y462 G463 G464S456-S459 PolarHBondContact O-N 3.43Å; S456-S459 PolarHBondContact OG-N 3.45Å; M457-S459 VanDerWaalsContact C-N 3.33Å; M457-S459 PolarHBondContact O-N 3.17Å; S459-Y462 CarbonylContact O-C 3.58Å; S459-Y462 PolarHBondContact O-N 2.82Å; S459-G463 PolarHBondContact O-N 2.98Å; S459-G464 WeakPolarHBondContact O-CA 3.41Å; S459-G464 PolarHBondContact O-N 2.65Å
460R86.9Confident85.9Confident100 Ų10052.5 Ų52.538%0.37729%0.291SS..Hα-helixtrans-66.1-40.9176.3-68.8-176.1179169.64113.7E454 S456 M457 T458 Y462 G463 L549E454-R460 VanDerWaalsContact CD-NE 3.3Å; E454-R460 WeakPolarHBondContact OE1-CG 3.45Å; E454-R460 IonicContact OE1-CZ 2.98Å; E454-R460 IonicContact OE1-NE 3.21Å; E454-R460 PolarHBondContact OE1-NE 3.11Å; E454-R460 IonicContact OE1-NH2 3.21Å; E454-R460 IonicContact OE2-CZ 2.6Å; E454-R460 IonicContact OE2-NE 3Å; E454-R460 PolarHBondContact OE2-NE 3.23Å; E454-R460 IonicContact OE2-NH2 3.5Å; E454-R460 PolarHBondContact OE2-NH2 3.12Å; S456-R460 PolarHBondContact O-N 3.03Å; M457-R460 WeakPolarHBondContact O-CB 3.44Å; M457-R460 PolarHBondContact O-N 3.4Å; M457-R460 VanDerWaalsContact O-N 3.15Å; T458-R460 VanDerWaalsContact C-N 3.28Å; T458-R460 PolarHBondContact O-N 3.08Å; R460-Y462 PolarHBondContact O-N 3.44Å; R460-G463 PolarHBondContact O-N 3.09Å; R460-L549 HydrophobicContact CB-CD2 3.77Å
461L86.5Confident86Confident2 Ų249.5 Ų49.51%0.0127%0.272CS..Hα-helixtrans-59.3-30.5175.6-72.9171.6000112.2M457 T458 F513 P532 L545 L549M457-L461 HydrophobicContact CG-CD1 4.27Å; M457-L461 HydrophobicContact CG-CG 4.47Å; M457-L461 PolarHBondContact O-N 3.05Å; T458-L461 PolarHBondContact O-N 3.18Å; L461-F513 HydrophobicContact CD1-CE2 4.1Å; L461-P532 HydrophobicContact CB-CB 4.14Å; L461-L545 HydrophobicContact CD2-CD1 4.3Å; L461-L549 HydrophobicContact CD2-CD2 3.97Å; L461-L549 HydrophobicContact CG-CD2 4.18Å
462Y85.1Confident86.1Confident10 Ų1049 Ų494%0.03927%0.27CS..THydrogen-bonded Turntrans-92.211.9174.4-79.3-89.1000114L451 T458 S459 R460 I465 V468 E470 P532 F533L451-Y462 HydrophobicContact CD1-CD2 4.42Å; T458-Y462 HydrophobicContact CG2-CD2 4.05Å; T458-Y462 HydrophobicContact CG2-CE2 4.16Å; T458-Y462 WeakPolarHBondContact O-CD2 3.5Å; T458-Y462 PolarHBondContact O-N 3.3Å; T458-Y462 VanDerWaalsContact O-N 3.16Å; S459-Y462 CarbonylContact O-C 3.58Å; S459-Y462 PolarHBondContact O-N 2.82Å; R460-Y462 PolarHBondContact O-N 3.44Å; Y462-I465 HydrophobicContact CD1-CD1 3.91Å; Y462-I465 HydrophobicContact CG-CD1 4.24Å; Y462-V468 HydrophobicContact CD1-CG1 3.41Å; Y462-V468 VanDerWaalsContact CD1-CG1 3.41Å; Y462-V468 HydrophobicContact CD2-CG1 3.98Å; Y462-V468 HydrophobicContact CE1-CB 4.19Å; Y462-V468 HydrophobicContact CE1-CG1 3.47Å; Y462-V468 VanDerWaalsContact CE1-CG1 3.47Å; Y462-V468 HydrophobicContact CE2-CG1 4.05Å; Y462-V468 HydrophobicContact CG-CG1 3.67Å; Y462-E470 PolarHBondContact OH-OE1 3.37Å; Y462-P532 HydrophobicContact CD1-CB 4.38Å; Y462-P532 HydrophobicContact CD1-CG 3.82Å; Y462-P532 HydrophobicContact CD2-CB 4.07Å; Y462-P532 HydrophobicContact CD2-CG 4.39Å; Y462-P532 HydrophobicContact CE1-CB 4.27Å; Y462-P532 HydrophobicContact CE1-CG 3.66Å; Y462-P532 HydrophobicContact CE2-CB 3.92Å; Y462-P532 HydrophobicContact CE2-CG 4.22Å; Y462-P532 HydrophobicContact CG-CB 4.3Å; Y462-P532 HydrophobicContact CG-CG 4.21Å; Y462-F533 AromaticContact CE2-CD2 3.99Å; Y462-F533 HydrophobicContact CE2-CD2 3.99Å; Y462-F533 AromaticContact CE2-CE2 3.47Å; Y462-F533 HydrophobicContact CE2-CE2 3.47Å; Y462-F533 VanDerWaalsContact CE2-CE2 3.47Å; Y462-F533 AromaticContact CE2-CZ 3.84Å; Y462-F533 HydrophobicContact CE2-CZ 3.84Å; Y462-F533 AromaticContact CZ-CE2 3.74Å; Y462-F533 WeakPolarHBondContact OH-CD2 3.27Å; Y462-F533 WeakPolarHBondContact OH-CE2 3.45Å
463G82.7Confident86.2Confident53 Ų5347.3 Ų47.355%0.54626%0.256SS..THydrogen-bonded Turntrans73.524.8177.700000114.8S459 R460S459-G463 PolarHBondContact O-N 2.98Å; R460-G463 PolarHBondContact O-N 3.09Å
464G80.5Confident86.8Confident45 Ų4542 Ų4246%0.46422%0.222SC..THydrogen-bonded Turntrans82.313175.300000115.3S459S459-G464 WeakPolarHBondContact O-CA 3.41Å; S459-G464 PolarHBondContact O-N 2.65Å
465I83.3Confident87.8Confident44 Ų4440.2 Ų40.223%0.22621%0.213CC..  trans-68.5147.9176.865.6-176.1000111.9Y462 F467 V468 T559Y462-I465 HydrophobicContact CD1-CD1 3.91Å; Y462-I465 HydrophobicContact CG-CD1 4.24Å; I465-F467 WeakPolarHBondContact CD1-O 3.18Å; I465-V468 HydrophobicContact CD1-CG1 3.86Å; I465-V468 HydrophobicContact CG1-CG1 4.29Å; I465-T559 HydrophobicContact CD1-CG2 3.8Å
466R87.1Confident88.7Confident209 Ų20935.8 Ų35.879%0.78918%0.181SC*.SBendtrans-80.7-19.5-175.8-67.4-174.3176.8-173.4-1114.5L451L451-R466 PolarHBondContact N-O 2.89Å
467F90.3Very high89.2Confident94 Ų9437 Ų3741%0.41219%0.186SC..EExtended strand (participates in β ladder)trans-147.7149.3-179.160.8-94.1000110.8R448 T449 I465R448-F467 HydrophobicContact CG-CB 3.91Å; R448-F467 HydrophobicContact CG-CD2 4.33Å; R448-F467 HydrophobicContact CG-CG 4.36Å; R448-F467 VanDerWaalsContact CZ-CD2 3.43Å; R448-F467 VanDerWaalsContact NE-CD2 3.34Å; R448-F467 VanDerWaalsContact NH2-CE2 3.27Å; T449-F467 CarbonylContact O-C 3.54Å; T449-F467 WeakPolarHBondContact O-CA 3.37Å; I465-F467 WeakPolarHBondContact CD1-O 3.18Å
468V91.1Very high89.5Confident5 Ų535.8 Ų35.83%0.0318%0.18CC..EExtended strand (participates in β ladder)trans-124.5142.9173.2-650000108.7R448 T449 L451 Y462 I465 E470R448-V468 WeakPolarHBondContact CA-O 3.14Å; T449-V468 HydrophobicContact CG2-CG2 4.41Å; T449-V468 PolarHBondContact N-O 3.02Å; T449-V468 PolarHBondContact O-N 3.4Å; L451-V468 HydrophobicContact CD1-CG1 3.79Å; L451-V468 HydrophobicContact CD2-CG2 4.17Å; L451-V468 HydrophobicContact CG-CG1 4.4Å; L451-V468 HydrophobicContact CG-CG2 4.37Å; Y462-V468 HydrophobicContact CD1-CG1 3.41Å; Y462-V468 VanDerWaalsContact CD1-CG1 3.41Å; Y462-V468 HydrophobicContact CD2-CG1 3.98Å; Y462-V468 HydrophobicContact CE1-CB 4.19Å; Y462-V468 HydrophobicContact CE1-CG1 3.47Å; Y462-V468 VanDerWaalsContact CE1-CG1 3.47Å; Y462-V468 HydrophobicContact CE2-CG1 4.05Å; Y462-V468 HydrophobicContact CG-CG1 3.67Å; I465-V468 HydrophobicContact CD1-CG1 3.86Å; I465-V468 HydrophobicContact CG1-CG1 4.29Å; V468-E470 HydrophobicContact CB-CG 4.49Å; V468-E470 HydrophobicContact CG2-CG 4.37Å
469D92.6Very high89.9Confident38 Ų3837.2 Ų37.220%0.20319%0.188CC..EExtended strand (participates in β ladder)trans-108.2110.4175.5-69.3-39.8000107.4L446 R447 R448 R524L446-D469 VanDerWaalsContact CD1-C 3.47Å; L446-D469 HydrophobicContact CD1-CB 3.78Å; L446-D469 WeakPolarHBondContact CD1-O 3.39Å; L446-D469 HydrophobicContact CD2-CB 4.02Å; L446-D469 HydrophobicContact CG-CB 3.84Å; R447-D469 WeakPolarHBondContact O-CA 3.43Å; R448-D469 WeakPolarHBondContact CA-OD1 3.45Å; R448-D469 WeakPolarHBondContact CB-OD1 3.32Å; R448-D469 WeakPolarHBondContact CG-OD1 3.31Å; R448-D469 IonicContact CZ-OD1 2.84Å; R448-D469 IonicContact CZ-OD2 3.77Å; R448-D469 IonicContact NE-OD1 3.94Å; R448-D469 PolarHBondContact NE-OD1 3.32Å; R448-D469 IonicContact NE-OD2 3.37Å; R448-D469 IonicContact NH2-OD1 2.75Å; R448-D469 IonicContact NH2-OD2 3.89Å; R448-D469 PolarHBondContact NH2-OD2 2.86Å; D469-R524 WeakPolarHBondContact O-CD 3.37Å; D469-R524 VanDerWaalsContact O-CZ 3.29Å; D469-R524 PolarHBondContact O-NH1 3.25Å
470E94.8Very high90.3Very high4 Ų439.8 Ų39.82%0.01920%0.2CC..EExtended strand (participates in β ladder)trans-126.9158.1-174.8-71.2-70175.400111.6L446 R447 Y462 V468 H472 F519 R524L446-E470 WeakPolarHBondContact CA-O 3.38Å; R447-E470 PolarHBondContact N-O 3.46Å; R447-E470 PolarHBondContact O-N 3.06Å; Y462-E470 PolarHBondContact OH-OE1 3.37Å; V468-E470 HydrophobicContact CB-CG 4.49Å; V468-E470 HydrophobicContact CG2-CG 4.37Å; E470-H472 PolarHBondContact O-CD2 2.97Å; E470-F519 HydrophobicContact CB-CB 3.85Å; E470-F519 HydrophobicContact CB-CD1 3.83Å; E470-F519 HydrophobicContact CB-CD2 3.39Å; E470-F519 HydrophobicContact CB-CE1 4.21Å; E470-F519 HydrophobicContact CB-CE2 3.83Å; E470-F519 HydrophobicContact CB-CG 3.41Å; E470-F519 VanDerWaalsContact CB-CG 3.41Å; E470-F519 HydrophobicContact CB-CZ 4.21Å; E470-F519 HydrophobicContact CG-CD1 4.43Å; E470-F519 HydrophobicContact CG-CD2 3.68Å; E470-F519 HydrophobicContact CG-CE1 4.33Å; E470-F519 HydrophobicContact CG-CE2 3.58Å; E470-F519 HydrophobicContact CG-CG 4.14Å; E470-F519 HydrophobicContact CG-CZ 3.92Å; E470-R524 WeakPolarHBondContact OE2-CD 3.36Å; E470-R524 WeakPolarHBondContact OE2-CG 3.32Å
471R95.5Very high90.7Very high0 Ų038.7 Ų38.70%021%0.212CC..EExtended strand (participates in β ladder)trans-86.6118-174.9-67.5-177.8177.4165.63.2110.6F60 V61 D63 E76 G445 L446 F519 H520 F523 R524F60-R471 VanDerWaalsContact CZ-NH1 3.29Å; V61-R471 WeakPolarHBondContact O-CD 3.25Å; V61-R471 PolarHBondContact O-NH1 3.44Å; D63-R471 IonicContact OD1-CZ 3.15Å; D63-R471 VanDerWaalsContact OD1-CZ 3.24Å; D63-R471 IonicContact OD1-NE 3.83Å; D63-R471 PolarHBondContact OD1-NE 2.89Å; D63-R471 IonicContact OD1-NH2 2.88Å; D63-R471 PolarHBondContact OD1-NH2 3.22Å; D63-R471 IonicContact OD2-NH2 3.14Å; E76-R471 VanDerWaalsContact CD-NH2 3.29Å; E76-R471 IonicContact OE1-CZ 3.35Å; E76-R471 IonicContact OE1-NH1 3.85Å; E76-R471 IonicContact OE1-NH2 2.69Å; E76-R471 PolarHBondContact OE1-NH2 3.23Å; E76-R471 IonicContact OE2-CZ 3.64Å; E76-R471 IonicContact OE2-NH1 3.72Å; E76-R471 PolarHBondContact OE2-NH1 3.12Å; E76-R471 IonicContact OE2-NH2 2.79Å; E76-R471 PolarHBondContact OE2-NH2 3.43Å; G445-R471 WeakPolarHBondContact O-CA 3.21Å; L446-R471 HydrophobicContact CD1-CG 4.49Å; R471-F519 WeakPolarHBondContact O-CB 3.46Å; R471-H520 PolarHBondContact O-N 3.12Å; R471-F523 HydrophobicContact CB-CB 4.33Å; R471-F523 HydrophobicContact CB-CD2 4.2Å; R471-F523 PolarHBondContact NH1-O 3.5Å; R471-F523 VanDerWaalsContact NH1-O 3.12Å; R471-R524 HydrophobicContact CG-CG 4.1Å
472H93.9Very high91.2Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-94.1155.5174.9-71.4-97.1000111.9R443 K444 G445 R447 E470 D504 D518 F519R443-H472 HydrophobicContact CG-CB 3.95Å; R443-H472 PolarHBondContact NH1-CE1 3.04Å; R443-H472 PolarHBondContact NH1-ND1 3.3Å; R443-H472 PolarHBondContact NH1-NE2 2.88Å; R443-H472 CarbonylContact O-C 3.44Å; K444-H472 CarbonylContact C-O 3.47Å; K444-H472 VanDerWaalsContact CA-O 3.26Å; K444-H472 WeakPolarHBondContact CA-O 2.93Å; G445-H472 PolarHBondContact N-O 3.39Å; G445-H472 VanDerWaalsContact N-O 3.08Å; G445-H472 PolarHBondContact O-N 2.93Å; R447-H472 VanDerWaalsContact CB-CD2 3.49Å; R447-H472 WeakPolarHBondContact CB-CD2 3.42Å; E470-H472 PolarHBondContact O-CD2 2.97Å; H472-D504 IonicContact CE1-OD1 3.85Å; H472-D504 PolarHBondContact CE1-OD1 3.5Å; H472-D518 IonicContact CE1-OD2 2.75Å; H472-D518 IonicContact ND1-OD2 2.65Å; H472-D518 PolarHBondContact ND1-OD2 2.96Å; H472-F519 AromaticContact CE1-CD1 3.71Å; H472-F519 AromaticContact NE2-CD1 3.8Å
473R92.7Very high91.7Very high10 Ų1039.6 Ų39.64%0.03822%0.216CC..EExtended strand (participates in β ladder)trans-151.267.5168.6-163.9-174.7-179.7-109-10.8109.3V61 E67 D371 Y372 R443V61-R473 HydrophobicContact CG2-CB 4.04Å; V61-R473 HydrophobicContact CG2-CG 3.9Å; E67-R473 IonicContact OE1-CZ 2.72Å; E67-R473 IonicContact OE1-NE 3.88Å; E67-R473 PolarHBondContact OE1-NE 3.29Å; E67-R473 IonicContact OE1-NH2 3.02Å; E67-R473 PolarHBondContact OE1-NH2 3.06Å; D371-R473 IonicContact OD1-CZ 3.02Å; D371-R473 IonicContact OD1-NH1 3.26Å; D371-R473 PolarHBondContact OD1-NH1 3.44Å; D371-R473 IonicContact OD2-CZ 3.65Å; D371-R473 IonicContact OD2-NH1 2.75Å; D371-R473 PolarHBondContact OD2-NH1 2.89Å; Y372-R473 WeakPolarHBondContact CD1-O 3.26Å; Y372-R473 HydrophobicContact CE1-CG 4.43Å; R443-R473 CarbonylContact O-C 3.59Å; R443-R473 WeakPolarHBondContact O-CA 3.21Å; R443-R473 PolarHBondContact O-N 3.18Å
474S90.5Very high92.3Very high0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-133.7133.1-165.3-45.60000111.4R443 D518R443-S474 VanDerWaalsContact CB-O 3.32Å; R443-S474 WeakPolarHBondContact CB-O 3.38Å; R443-S474 PolarHBondContact N-O 3.38Å; R443-S474 PolarHBondContact O-N 3.04Å; S474-D518 WeakPolarHBondContact CB-OD2 3.38Å; S474-D518 PolarHBondContact OG-O 2.81Å; S474-D518 PolarHBondContact OG-OD2 3.1Å
475K89.9Confident93.1Very high71 Ų7147.6 Ų47.631%0.30922%0.223SC..SBendtrans-100-18.7168.9-175175.9173.5179.50112.3Y372 T435Y372-K475 HydrophobicContact CD2-CB 3.41Å; Y372-K475 VanDerWaalsContact CD2-CB 3.41Å; Y372-K475 HydrophobicContact CD2-CD 4.35Å; Y372-K475 HydrophobicContact CE2-CB 3.67Å; Y372-K475 HydrophobicContact CE2-CD 4.06Å; Y372-K475 HydrophobicContact CG-CB 4.07Å; T435-K475 PolarHBondContact N-O 3.34Å; T435-K475 VanDerWaalsContact N-O 3.17Å; T435-K475 PolarHBondContact OG1-O 3.41Å
476F92.5Very high93.8Very high28 Ų2845.5 Ų45.512%0.12321%0.212CC..EExtended strand (participates in β ladder)trans-113.3168.4-177.1-56.5-72.3000110.7Y372 Y402 A422 I432 V433 C434Y372-F476 HydrophobicContact CD2-CD2 4.46Å; Y372-F476 HydrophobicContact CD2-CE2 4.23Å; Y372-F476 WeakPolarHBondContact O-CE2 3.44Å; Y402-F476 HydrophobicContact CE2-CB 3.82Å; Y402-F476 HydrophobicContact CE2-CD2 4.42Å; Y402-F476 PolarHBondContact OH-O 3.49Å; A422-F476 HydrophobicContact CB-CE1 4.04Å; A422-F476 HydrophobicContact CB-CE2 4.09Å; A422-F476 HydrophobicContact CB-CZ 3.6Å; I432-F476 HydrophobicContact CG2-CB 3.64Å; I432-F476 HydrophobicContact CG2-CG 4.32Å; V433-F476 CarbonylContact O-C 3.44Å; V433-F476 WeakPolarHBondContact O-CA 3.28Å; V433-F476 WeakPolarHBondContact O-CB 3.28Å; C434-F476 HydrophobicContact CB-CD1 4.49Å
477Q93.7Very high94.3Very high29 Ų2938 Ų3814%0.13619%0.186CC..EExtended strand (participates in β ladder)trans-154163.4175.763.7-177.124.600109.7I432 V433 T435I432-Q477 WeakPolarHBondContact CA-O 3.44Å; V433-Q477 HydrophobicContact CG2-CG 4.03Å; V433-Q477 PolarHBondContact N-O 3.22Å; V433-Q477 PolarHBondContact O-N 3.01Å; T435-Q477 HydrophobicContact CG2-CB 4.2Å; T435-Q477 HydrophobicContact CG2-CG 4.22Å
478V95.8Very high94.6Very high2 Ų237.8 Ų37.81%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-64.8137.5170.5-179.20000109.8M401 V405 I432 M480 V483 L486 F493 V503M401-V478 HydrophobicContact CE-CG2 3.8Å; V405-V478 HydrophobicContact CG1-CG1 4.32Å; V405-V478 HydrophobicContact CG2-CG2 4.02Å; I432-V478 HydrophobicContact CD1-CG2 4.02Å; V478-M480 PolarHBondContact O-N 2.93Å; V478-V483 HydrophobicContact CG1-CG2 4.21Å; V478-L486 HydrophobicContact CG1-CD1 4.29Å; V478-F493 HydrophobicContact CG1-CZ 4.36Å; V478-V503 HydrophobicContact CB-CG2 3.66Å; V478-V503 HydrophobicContact CG1-CG2 4.15Å; V478-V503 HydrophobicContact CG2-CG2 3.91Å
479N95.7Very high94.8Very high31 Ų3143.4 Ų43.417%0.16622%0.22CC..  trans-68.9114.5174.9-171.8-13.8000110.3P430 L431 V433 A481 Y482P430-N479 VanDerWaalsContact O-CB 3.24Å; P430-N479 WeakPolarHBondContact O-CB 3.41Å; P430-N479 PolarHBondContact O-ND2 3.33Å; L431-N479 WeakPolarHBondContact O-CB 3.28Å; L431-N479 PolarHBondContact O-N 3.42Å; V433-N479 HydrophobicContact CG1-CB 3.87Å; V433-N479 HydrophobicContact CG2-CB 4.19Å; N479-A481 PolarHBondContact O-N 3.44Å; N479-A481 VanDerWaalsContact O-N 3.1Å; N479-A481 WeakPolarHBondContact OD1-CB 3.33Å; N479-A481 PolarHBondContact OD1-N 2.95Å; N479-A481 VanDerWaalsContact OD1-N 3.14Å; N479-Y482 HydrophobicContact CB-CD2 3.94Å; N479-Y482 PolarHBondContact O-N 2.93Å
480M95.1Very high95Very high60 Ų6041.9 Ų41.930%0.29621%0.213SC..Hα-helixtrans-58.1-27-177.8-66-57.8-67.600113.2V478 Y482 V483 R502 V503V478-M480 PolarHBondContact O-N 2.93Å; M480-Y482 PolarHBondContact O-N 3.28Å; M480-V483 HydrophobicContact CE-CG2 4.33Å; M480-V483 PolarHBondContact O-N 3.28Å; M480-V483 HydrophobicContact SD-CG2 3.91Å; M480-R502 VanDerWaalsContact SD-CA 3.54Å; M480-V503 HydrophobicContact CE-CG1 4.46Å; M480-V503 HydrophobicContact SD-CG1 4.28Å
481A95.3Very high95.1Very high77 Ų7741.7 Ų41.764%0.63621%0.213SC*.Hα-helixtrans-64-19.2176.900000113.9N479N479-A481 PolarHBondContact O-N 3.44Å; N479-A481 VanDerWaalsContact O-N 3.1Å; N479-A481 WeakPolarHBondContact OD1-CB 3.33Å; N479-A481 PolarHBondContact OD1-N 2.95Å; N479-A481 VanDerWaalsContact OD1-N 3.14Å
482Y96.6Very high95.1Very high27 Ų2744.8 Ų44.811%0.10623%0.229CC..Hα-helixtrans-102.2-9.3179.4-71.3-95.4000113.3L415 D429 L431 N479 M480 E484 R485 L486L415-Y482 HydrophobicContact CD1-CD1 3.97Å; L415-Y482 HydrophobicContact CD1-CE1 3.67Å; D429-Y482 WeakPolarHBondContact CA-OH 3.33Å; D429-Y482 PolarHBondContact OD1-OH 2.83Å; L431-Y482 HydrophobicContact CD1-CD1 3.76Å; L431-Y482 HydrophobicContact CD1-CD2 4.23Å; L431-Y482 HydrophobicContact CD1-CE1 4.44Å; L431-Y482 HydrophobicContact CD1-CG 3.64Å; L431-Y482 HydrophobicContact CD2-CD1 4.48Å; L431-Y482 HydrophobicContact CD2-CE1 4.37Å; N479-Y482 HydrophobicContact CB-CD2 3.94Å; N479-Y482 PolarHBondContact O-N 2.93Å; M480-Y482 PolarHBondContact O-N 3.28Å; Y482-E484 PolarHBondContact O-N 2.68Å; Y482-R485 WeakPolarHBondContact O-CB 3.3Å; Y482-R485 PolarHBondContact O-N 2.95Å; Y482-R485 VanDerWaalsContact O-N 3.14Å; Y482-L486 WeakPolarHBondContact O-CG 3.5Å; Y482-L486 PolarHBondContact O-N 2.82Å
483V96.3Very high95.2Very high4 Ų444.9 Ų44.92%0.02423%0.229CC..Hα-helixtrans-58.6-49.4-1741680000111.3V478 M480 R485 L486 E487 F493 V503V478-V483 HydrophobicContact CG1-CG2 4.21Å; M480-V483 HydrophobicContact CE-CG2 4.33Å; M480-V483 PolarHBondContact O-N 3.28Å; M480-V483 HydrophobicContact SD-CG2 3.91Å; V483-R485 VanDerWaalsContact C-N 3.27Å; V483-R485 PolarHBondContact O-N 3.35Å; V483-L486 WeakPolarHBondContact O-CB 3.35Å; V483-L486 PolarHBondContact O-N 3.29Å; V483-L486 VanDerWaalsContact O-N 3.13Å; V483-E487 HydrophobicContact CG1-CG 4.25Å; V483-E487 WeakPolarHBondContact O-CG 2.81Å; V483-E487 PolarHBondContact O-N 3.25Å; V483-F493 HydrophobicContact CG1-CD2 3.82Å; V483-F493 HydrophobicContact CG1-CE2 4.32Å; V483-F493 HydrophobicContact CG2-CD2 4.47Å; V483-F493 HydrophobicContact CG2-CE2 4.35Å; V483-V503 HydrophobicContact CG1-CG1 4.16Å; V483-V503 HydrophobicContact CG2-CG1 4.04Å; V483-V503 HydrophobicContact CG2-CG2 4.33Å
484E96.1Very high95.3Very high162 Ų16244.9 Ų44.976%0.75723%0.23SC*.Hα-helixtrans-59.8-38.3178.8-66.4179.4-179.500112.2Y482 E487 S488Y482-E484 PolarHBondContact O-N 2.68Å; E484-E487 PolarHBondContact O-N 2.76Å; E484-S488 VanDerWaalsContact O-CB 3.3Å; E484-S488 WeakPolarHBondContact O-CB 3.41Å; E484-S488 PolarHBondContact O-N 2.99Å
485R97Very high95.5Very high105 Ų10544.9 Ų44.940%0.39623%0.23SC..Hα-helixtrans-66.6-41.6177.2-68.2-179.263.4-169.9-0.9111.6L413 Y482 V483 S488L413-R485 HydrophobicContact CD1-CB 4.26Å; Y482-R485 WeakPolarHBondContact O-CB 3.3Å; Y482-R485 PolarHBondContact O-N 2.95Å; Y482-R485 VanDerWaalsContact O-N 3.14Å; V483-R485 VanDerWaalsContact C-N 3.27Å; V483-R485 PolarHBondContact O-N 3.35Å; R485-S488 PolarHBondContact O-OG 2.82Å
486L97.7Very high95.8Very high0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-64-47.7176.2-68.9165.2000111.1V405 F408 L413 V478 Y482 V483 S488 K489 G490 M491 F493V405-L486 HydrophobicContact CG1-CD1 3.85Å; V405-L486 HydrophobicContact CG1-CD2 4.45Å; F408-L486 HydrophobicContact CD1-CD2 3.73Å; F408-L486 HydrophobicContact CE1-CD2 4.37Å; L413-L486 HydrophobicContact CD1-CD2 3.73Å; L413-L486 HydrophobicContact CD1-CG 4.21Å; V478-L486 HydrophobicContact CG1-CD1 4.29Å; Y482-L486 WeakPolarHBondContact O-CG 3.5Å; Y482-L486 PolarHBondContact O-N 2.82Å; V483-L486 WeakPolarHBondContact O-CB 3.35Å; V483-L486 PolarHBondContact O-N 3.29Å; V483-L486 VanDerWaalsContact O-N 3.13Å; L486-S488 VanDerWaalsContact C-N 3.34Å; L486-S488 PolarHBondContact O-N 3.28Å; L486-K489 PolarHBondContact O-N 3.44Å; L486-K489 VanDerWaalsContact O-N 3.14Å; L486-G490 PolarHBondContact O-N 2.98Å; L486-M491 CarbonylContact C-O 3.54Å; L486-M491 HydrophobicContact CB-CB 4.34Å; L486-M491 HydrophobicContact CD2-SD 4.2Å; L486-M491 PolarHBondContact O-N 3.01Å; L486-M491 VanDerWaalsContact O-N 3.12Å; L486-F493 HydrophobicContact CB-CE2 3.93Å; L486-F493 HydrophobicContact CD1-CE2 3.81Å; L486-F493 HydrophobicContact CD1-CZ 3.93Å
487E96.6Very high95.8Very high50 Ų5042.8 Ų42.823%0.23422%0.22CC..Hα-helixtrans-61.9-41178.3-69.4-177.1148.100111.3V483 E484 K489 G490 M491 F493 R496V483-E487 HydrophobicContact CG1-CG 4.25Å; V483-E487 WeakPolarHBondContact O-CG 2.81Å; V483-E487 PolarHBondContact O-N 3.25Å; E484-E487 PolarHBondContact O-N 2.76Å; E487-K489 PolarHBondContact O-N 3.3Å; E487-G490 PolarHBondContact O-N 3.11Å; E487-M491 VanDerWaalsContact CA-O 3.3Å; E487-M491 WeakPolarHBondContact CA-O 3.44Å; E487-M491 WeakPolarHBondContact CG-O 3.35Å; E487-M491 PolarHBondContact N-O 2.81Å; E487-F493 HydrophobicContact CG-CD2 3.9Å; E487-F493 PolarHBondContact OE1-N 3.29Å; E487-R496 VanDerWaalsContact CD-NH2 3.34Å; E487-R496 IonicContact OE1-CZ 3.88Å; E487-R496 IonicContact OE1-NH2 2.76Å; E487-R496 PolarHBondContact OE1-NH2 3.16Å; E487-R496 IonicContact OE2-NH2 2.93Å; E487-R496 PolarHBondContact OE2-NH2 3.47Å; E487-R496 VanDerWaalsContact OE2-NH2 3.16Å
488S96.6Very high95.5Very high90 Ų9045.1 Ų45.163%0.62924%0.244SC*.THydrogen-bonded Turntrans-60.9-18.6177.478.90000114.5E484 R485 L486E484-S488 VanDerWaalsContact O-CB 3.3Å; E484-S488 WeakPolarHBondContact O-CB 3.41Å; E484-S488 PolarHBondContact O-N 2.99Å; R485-S488 PolarHBondContact O-OG 2.82Å; L486-S488 VanDerWaalsContact C-N 3.34Å; L486-S488 PolarHBondContact O-N 3.28Å
489K96.8Very high95.2Very high123 Ų12350.2 Ų50.254%0.53527%0.272SS..THydrogen-bonded Turntrans-106.16.6176.2-66.7-55.4-173.2-179.10113.4F408 V412 L413 L486 E487F408-K489 HydrophobicContact CE1-CB 3.88Å; F408-K489 HydrophobicContact CZ-CB 3.93Å; F408-K489 WeakPolarHBondContact CZ-O 3.38Å; V412-K489 HydrophobicContact CG1-CB 4.01Å; V412-K489 HydrophobicContact CG1-CG 4.3Å; L413-K489 HydrophobicContact CD2-CB 4.23Å; L413-K489 HydrophobicContact CD2-CG 3.45Å; L413-K489 VanDerWaalsContact CD2-CG 3.45Å; L486-K489 PolarHBondContact O-N 3.44Å; L486-K489 VanDerWaalsContact O-N 3.14Å; E487-K489 PolarHBondContact O-N 3.3Å
490G95.2Very high94.8Very high6 Ų652.8 Ų52.86%0.06229%0.285CS..THydrogen-bonded Turntrans101.71.9172.400000115.6L486 E487 L492 Q509L486-G490 PolarHBondContact O-N 2.98Å; E487-G490 PolarHBondContact O-N 3.11Å; G490-L492 PolarHBondContact O-N 3.16Å; G490-Q509 WeakPolarHBondContact O-CB 3.3Å; G490-Q509 PolarHBondContact O-N 3.49Å
491M96.7Very high94.5Very high1 Ų152.4 Ų52.41%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-86.690.3169.2179.9172.8-76.800109V405 F408 L486 E487 F493 E507 L508 F514 I516V405-M491 HydrophobicContact CG2-SD 4.04Å; F408-M491 HydrophobicContact CB-CE 3.43Å; F408-M491 VanDerWaalsContact CB-CE 3.43Å; F408-M491 HydrophobicContact CB-SD 4.34Å; F408-M491 HydrophobicContact CD1-CB 4.01Å; F408-M491 HydrophobicContact CD1-CE 3.96Å; F408-M491 HydrophobicContact CD1-SD 4.2Å; F408-M491 HydrophobicContact CD2-CE 3.95Å; F408-M491 HydrophobicContact CE1-CB 3.74Å; F408-M491 HydrophobicContact CG-CE 3.51Å; F408-M491 HydrophobicContact CG-SD 4.33Å; F408-M491 HydrophobicContact CZ-CB 4.09Å; L486-M491 CarbonylContact C-O 3.54Å; L486-M491 HydrophobicContact CB-CB 4.34Å; L486-M491 HydrophobicContact CD2-SD 4.2Å; L486-M491 PolarHBondContact O-N 3.01Å; L486-M491 VanDerWaalsContact O-N 3.12Å; E487-M491 VanDerWaalsContact CA-O 3.3Å; E487-M491 WeakPolarHBondContact CA-O 3.44Å; E487-M491 WeakPolarHBondContact CG-O 3.35Å; E487-M491 PolarHBondContact N-O 2.81Å; M491-F493 HydrophobicContact CG-CE2 4.4Å; M491-F493 HydrophobicContact CG-CZ 4.26Å; M491-F493 HydrophobicContact SD-CZ 4.19Å; M491-E507 CarbonylContact C-O 3.52Å; M491-L508 HydrophobicContact CB-CD1 4.39Å; M491-F514 HydrophobicContact CE-CE1 4.4Å; M491-I516 HydrophobicContact CE-CD1 4.19Å; M491-I516 HydrophobicContact CG-CD1 4.39Å; M491-I516 HydrophobicContact SD-CD1 3.87Å
492L95.8Very high94.4Very high65 Ų6550.4 Ų50.434%0.3426%0.264SS..EExtended strand (participates in β ladder)trans-85.7124.2-171.6-57.7179.9000110.9G490 V494 G506 E507 Q509G490-L492 PolarHBondContact O-N 3.16Å; L492-V494 HydrophobicContact CB-CG1 4.43Å; L492-V494 PolarHBondContact O-N 3.08Å; L492-G506 CarbonylContact O-C 3.59Å; L492-G506 WeakPolarHBondContact O-CA 3.33Å; L492-E507 PolarHBondContact N-O 3Å; L492-E507 PolarHBondContact O-N 2.76Å; L492-Q509 HydrophobicContact CD1-CB 4.46Å
493F96.2Very high94.3Very high2 Ų249.3 Ų49.31%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-91.590.7176.4-67.9-78.7000111.5M401 V405 V478 V483 L486 E487 M491 R496 V503 V505 I516M401-F493 HydrophobicContact CE-CD1 4.28Å; M401-F493 HydrophobicContact CE-CE1 3.78Å; V405-F493 HydrophobicContact CG2-CZ 4.29Å; V478-F493 HydrophobicContact CG1-CZ 4.36Å; V483-F493 HydrophobicContact CG1-CD2 3.82Å; V483-F493 HydrophobicContact CG1-CE2 4.32Å; V483-F493 HydrophobicContact CG2-CD2 4.47Å; V483-F493 HydrophobicContact CG2-CE2 4.35Å; L486-F493 HydrophobicContact CB-CE2 3.93Å; L486-F493 HydrophobicContact CD1-CE2 3.81Å; L486-F493 HydrophobicContact CD1-CZ 3.93Å; E487-F493 HydrophobicContact CG-CD2 3.9Å; E487-F493 PolarHBondContact OE1-N 3.29Å; M491-F493 HydrophobicContact CG-CE2 4.4Å; M491-F493 HydrophobicContact CG-CZ 4.26Å; M491-F493 HydrophobicContact SD-CZ 4.19Å; F493-R496 PolarHBondContact O-NE 2.99Å; F493-V503 HydrophobicContact CB-CB 3.83Å; F493-V503 HydrophobicContact CB-CG1 3.51Å; F493-V503 HydrophobicContact CD1-CB 3.45Å; F493-V503 VanDerWaalsContact CD1-CB 3.45Å; F493-V503 HydrophobicContact CD1-CG1 3.96Å; F493-V503 HydrophobicContact CD1-CG2 3.48Å; F493-V503 VanDerWaalsContact CD1-CG2 3.48Å; F493-V503 HydrophobicContact CD2-CB 4.5Å; F493-V503 HydrophobicContact CD2-CG1 4.15Å; F493-V503 HydrophobicContact CD2-CG2 4.46Å; F493-V503 HydrophobicContact CE1-CB 4.09Å; F493-V503 HydrophobicContact CE1-CG2 3.56Å; F493-V503 HydrophobicContact CG-CB 3.67Å; F493-V503 HydrophobicContact CG-CG1 3.6Å; F493-V503 HydrophobicContact CG-CG2 3.94Å; F493-V503 HydrophobicContact CZ-CG2 4.09Å; F493-V505 CarbonylContact C-O 3.54Å; F493-V505 VanDerWaalsContact CA-O 3.31Å; F493-V505 WeakPolarHBondContact CA-O 3.47Å; F493-I516 HydrophobicContact CE1-CD1 4.22Å
494V94.9Very high94.3Very high9 Ų949.1 Ų49.16%0.05526%0.259CS..EExtended strand (participates in β ladder)trans-81.2-12.2-176.8-59.70000114.2L451 S452 L492 V505 E507L451-V494 CarbonylContact C-O 3.6Å; L451-V494 WeakPolarHBondContact CA-O 3.34Å; S452-V494 PolarHBondContact N-O 3.13Å; S452-V494 PolarHBondContact OG-O 3.18Å; L492-V494 HydrophobicContact CB-CG1 4.43Å; L492-V494 PolarHBondContact O-N 3.08Å; V494-V505 HydrophobicContact CG2-CB 4.17Å; V494-V505 HydrophobicContact CG2-CG1 3.77Å; V494-V505 PolarHBondContact N-O 3.36Å; V494-V505 VanDerWaalsContact N-O 3.09Å; V494-E507 HydrophobicContact CG1-CG 4.4Å; V494-E507 HydrophobicContact CG2-CG 3.91Å; V494-E507 WeakPolarHBondContact CG2-OE1 3.41Å
495G95.3Very high94.3Very high0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-125124.4177.600000110.2V450 D504 V505V450-G495 WeakPolarHBondContact O-CA 3.32Å; G495-D504 PolarHBondContact O-N 2.98Å; G495-V505 PolarHBondContact N-O 2.87Å; G495-V505 PolarHBondContact O-N 3.16Å
496R95.3Very high94.3Very high53 Ų5336.4 Ų36.420%0.220%0.204CC..EExtended strand (participates in β ladder)trans-132.3158.6-176.9-55.9-166178.9-169.8-3.8111.5T449 V450 E487 F493 N500 R502 V503T449-R496 CarbonylContact C-O 3.5Å; T449-R496 WeakPolarHBondContact CA-O 3.28Å; V450-R496 PolarHBondContact N-O 3.22Å; V450-R496 PolarHBondContact O-N 3Å; E487-R496 VanDerWaalsContact CD-NH2 3.34Å; E487-R496 IonicContact OE1-CZ 3.88Å; E487-R496 IonicContact OE1-NH2 2.76Å; E487-R496 PolarHBondContact OE1-NH2 3.16Å; E487-R496 IonicContact OE2-NH2 2.93Å; E487-R496 PolarHBondContact OE2-NH2 3.47Å; E487-R496 VanDerWaalsContact OE2-NH2 3.16Å; F493-R496 PolarHBondContact O-NE 2.99Å; R496-N500 WeakPolarHBondContact CD-OD1 3.35Å; R496-N500 PolarHBondContact NH1-OD1 2.65Å; R496-R502 WeakPolarHBondContact CA-O 3.23Å; R496-V503 HydrophobicContact CG-CG1 4.28Å
497A92.3Very high94.2Very high3 Ų337.3 Ų37.33%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-60.9154.4169.700000111.7N499 N500 R502A497-N499 WeakPolarHBondContact CB-OD1 3.24Å; A497-N499 PolarHBondContact O-N 3.2Å; A497-N499 VanDerWaalsContact O-N 3.08Å; A497-N500 WeakPolarHBondContact O-CA 3.4Å; A497-N500 PolarHBondContact O-N 2.89Å; A497-R502 HydrophobicContact CB-CG 3.43Å; A497-R502 VanDerWaalsContact CB-CG 3.43Å; A497-R502 PolarHBondContact N-O 3.03Å
498A88Confident94.2Very high78 Ų7835.9 Ų35.965%0.64520%0.202SC*.THydrogen-bonded Turntrans-54.9-30.4177.600000114.3V450V450-A498 HydrophobicContact CG2-CB 4.3Å
499N88.7Confident94.1Very high109 Ų10938 Ų3858%0.58320%0.203SC*.THydrogen-bonded Turntrans-93.99.2176.466.6-14.1000113.5A497 S501A497-N499 WeakPolarHBondContact CB-OD1 3.24Å; A497-N499 PolarHBondContact O-N 3.2Å; A497-N499 VanDerWaalsContact O-N 3.08Å; N499-S501 WeakPolarHBondContact ND2-CB 3.46Å; N499-S501 PolarHBondContact ND2-OG 2.71Å; N499-S501 VanDerWaalsContact ND2-OG 3.11Å; N499-S501 PolarHBondContact O-N 2.99Å; N499-S501 WeakPolarHBondContact OD1-CB 3.49Å; N499-S501 PolarHBondContact OD1-N 3.21Å; N499-S501 VanDerWaalsContact OD1-N 3.16Å; N499-S501 PolarHBondContact OD1-OG 3.19Å
500N87.6Confident93.9Very high84 Ų8435.8 Ų35.845%0.44921%0.214SC..SBendtrans56.116.5-176.4-160.937.8000114.6R496 A497 R502R496-N500 WeakPolarHBondContact CD-OD1 3.35Å; R496-N500 PolarHBondContact NH1-OD1 2.65Å; A497-N500 WeakPolarHBondContact O-CA 3.4Å; A497-N500 PolarHBondContact O-N 2.89Å; N500-R502 PolarHBondContact O-N 3.06Å
501S89.8Confident94Very high52 Ų5236.4 Ų36.436%0.36422%0.215SC..SBendtrans-79.7-5.2-17477.80000114.1N499N499-S501 WeakPolarHBondContact ND2-CB 3.46Å; N499-S501 PolarHBondContact ND2-OG 2.71Å; N499-S501 VanDerWaalsContact ND2-OG 3.11Å; N499-S501 PolarHBondContact O-N 2.99Å; N499-S501 WeakPolarHBondContact OD1-CB 3.49Å; N499-S501 PolarHBondContact OD1-N 3.21Å; N499-S501 VanDerWaalsContact OD1-N 3.16Å; N499-S501 PolarHBondContact OD1-OG 3.19Å
502R92.3Very high93.8Very high36 Ų3640.1 Ų40.114%0.13623%0.233CC..SBendtrans-161.3158.9-176.861176-167.9-100.93.2110.1R443 M480 R496 A497 N500 D504R443-R502 VanDerWaalsContact NH1-CD 3.26Å; R443-R502 VanDerWaalsContact NH1-CZ 3.29Å; M480-R502 VanDerWaalsContact SD-CA 3.54Å; R496-R502 WeakPolarHBondContact CA-O 3.23Å; A497-R502 HydrophobicContact CB-CG 3.43Å; A497-R502 VanDerWaalsContact CB-CG 3.43Å; A497-R502 PolarHBondContact N-O 3.03Å; N500-R502 PolarHBondContact O-N 3.06Å; R502-D504 WeakPolarHBondContact CD-OD1 3.17Å; R502-D504 IonicContact CZ-OD2 3.54Å; R502-D504 IonicContact NE-OD1 2.76Å; R502-D504 PolarHBondContact NE-OD1 3.24Å; R502-D504 VanDerWaalsContact NE-OD1 3.13Å; R502-D504 IonicContact NE-OD2 3.78Å; R502-D504 PolarHBondContact NE-OD2 3.33Å; R502-D504 VanDerWaalsContact NE-OD2 3.15Å; R502-D504 IonicContact NH2-OD2 3.35Å; R502-D504 PolarHBondContact NH2-OD2 3.17Å
503V95.4Very high93.8Very high3 Ų337 Ų372%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-103131.9170.5-62.30000109.1M401 V478 M480 V483 F493 R496M401-V503 HydrophobicContact CE-CG2 4.19Å; V478-V503 HydrophobicContact CB-CG2 3.66Å; V478-V503 HydrophobicContact CG1-CG2 4.15Å; V478-V503 HydrophobicContact CG2-CG2 3.91Å; M480-V503 HydrophobicContact CE-CG1 4.46Å; M480-V503 HydrophobicContact SD-CG1 4.28Å; V483-V503 HydrophobicContact CG1-CG1 4.16Å; V483-V503 HydrophobicContact CG2-CG1 4.04Å; V483-V503 HydrophobicContact CG2-CG2 4.33Å; F493-V503 HydrophobicContact CB-CB 3.83Å; F493-V503 HydrophobicContact CB-CG1 3.51Å; F493-V503 HydrophobicContact CD1-CB 3.45Å; F493-V503 VanDerWaalsContact CD1-CB 3.45Å; F493-V503 HydrophobicContact CD1-CG1 3.96Å; F493-V503 HydrophobicContact CD1-CG2 3.48Å; F493-V503 VanDerWaalsContact CD1-CG2 3.48Å; F493-V503 HydrophobicContact CD2-CB 4.5Å; F493-V503 HydrophobicContact CD2-CG1 4.15Å; F493-V503 HydrophobicContact CD2-CG2 4.46Å; F493-V503 HydrophobicContact CE1-CB 4.09Å; F493-V503 HydrophobicContact CE1-CG2 3.56Å; F493-V503 HydrophobicContact CG-CB 3.67Å; F493-V503 HydrophobicContact CG-CG1 3.6Å; F493-V503 HydrophobicContact CG-CG2 3.94Å; F493-V503 HydrophobicContact CZ-CG2 4.09Å; R496-V503 HydrophobicContact CG-CG1 4.28Å
504D95.4Very high93.9Very high0 Ų037.1 Ų37.10%022%0.217CC..EExtended strand (participates in β ladder)trans-114.3-23.9-177.4-69.9-40.8000111.9R443 T449 H472 G495 R502 V517 D518 F519R443-D504 IonicContact CZ-OD1 3.35Å; R443-D504 IonicContact NH1-OD1 3.16Å; R443-D504 PolarHBondContact NH1-OD1 3.1Å; R443-D504 IonicContact NH1-OD2 3.87Å; R443-D504 IonicContact NH2-OD1 3.62Å; R443-D504 PolarHBondContact NH2-OD1 3.06Å; T449-D504 HydrophobicContact CG2-CB 3.75Å; T449-D504 WeakPolarHBondContact OG1-CB 3.49Å; T449-D504 PolarHBondContact OG1-OD2 3.02Å; T449-D504 VanDerWaalsContact OG1-OD2 3.04Å; H472-D504 IonicContact CE1-OD1 3.85Å; H472-D504 PolarHBondContact CE1-OD1 3.5Å; G495-D504 PolarHBondContact O-N 2.98Å; R502-D504 WeakPolarHBondContact CD-OD1 3.17Å; R502-D504 IonicContact CZ-OD2 3.54Å; R502-D504 IonicContact NE-OD1 2.76Å; R502-D504 PolarHBondContact NE-OD1 3.24Å; R502-D504 VanDerWaalsContact NE-OD1 3.13Å; R502-D504 IonicContact NE-OD2 3.78Å; R502-D504 PolarHBondContact NE-OD2 3.33Å; R502-D504 VanDerWaalsContact NE-OD2 3.15Å; R502-D504 IonicContact NH2-OD2 3.35Å; R502-D504 PolarHBondContact NH2-OD2 3.17Å; D504-V517 CarbonylContact O-C 3.58Å; D504-V517 WeakPolarHBondContact O-CA 3.29Å; D504-D518 PolarHBondContact O-N 2.82Å; D504-F519 HydrophobicContact CB-CD1 4.28Å; D504-F519 HydrophobicContact CB-CE1 4.29Å
505V96.9Very high94Very high0 Ų036.7 Ų36.70%021%0.214CC..EExtended strand (participates in β ladder)trans-136.3135.5176.7-1730000110.6T449 T458 F493 V494 G495 V515 I516 V517 F519 F533T449-V505 HydrophobicContact CG2-CG2 4.27Å; T458-V505 HydrophobicContact CG2-CG1 4.21Å; F493-V505 CarbonylContact C-O 3.54Å; F493-V505 VanDerWaalsContact CA-O 3.31Å; F493-V505 WeakPolarHBondContact CA-O 3.47Å; V494-V505 HydrophobicContact CG2-CB 4.17Å; V494-V505 HydrophobicContact CG2-CG1 3.77Å; V494-V505 PolarHBondContact N-O 3.36Å; V494-V505 VanDerWaalsContact N-O 3.09Å; G495-V505 PolarHBondContact N-O 2.87Å; G495-V505 PolarHBondContact O-N 3.16Å; V505-V515 HydrophobicContact CG1-CG1 4.29Å; V505-I516 CarbonylContact C-O 3.59Å; V505-I516 WeakPolarHBondContact CA-O 3.22Å; V505-V517 HydrophobicContact CG1-CG1 4.06Å; V505-V517 HydrophobicContact CG2-CG1 4.17Å; V505-F519 HydrophobicContact CG2-CE1 3.56Å; V505-F519 HydrophobicContact CG2-CZ 3.64Å; V505-F533 HydrophobicContact CG1-CE1 4.06Å; V505-F533 HydrophobicContact CG1-CZ 4.17Å; V505-F533 HydrophobicContact CG2-CZ 4.09Å
506G96.7Very high94.2Very high0 Ų036.8 Ų36.80%022%0.215CC..EExtended strand (participates in β ladder)trans-131.7152171.800000113.2L492 V515 I516L492-G506 CarbonylContact O-C 3.59Å; L492-G506 WeakPolarHBondContact O-CA 3.33Å; G506-V515 WeakPolarHBondContact O-CA 3.37Å; G506-I516 PolarHBondContact N-O 2.82Å; G506-I516 PolarHBondContact O-N 2.99Å
507E96.7Very high94.3Very high20 Ų2034.2 Ų34.29%0.09321%0.205CC..EExtended strand (participates in β ladder)trans-129.7142.3177.6-66.5174.5-168.500109.1S456 M457 T458 M491 L492 V494 F514 V515S456-E507 PolarHBondContact OG-OE1 3.35Å; S456-E507 VanDerWaalsContact OG-OE1 3.13Å; M457-E507 PolarHBondContact N-OE1 2.69Å; M457-E507 PolarHBondContact N-OE2 2.96Å; M457-E507 VanDerWaalsContact N-OE2 3.15Å; T458-E507 WeakPolarHBondContact CA-OE1 3.45Å; T458-E507 WeakPolarHBondContact CB-OE1 3.48Å; T458-E507 PolarHBondContact N-OE1 3.32Å; T458-E507 PolarHBondContact OG1-OE1 3.32Å; M491-E507 CarbonylContact C-O 3.52Å; L492-E507 PolarHBondContact N-O 3Å; L492-E507 PolarHBondContact O-N 2.76Å; V494-E507 HydrophobicContact CG1-CG 4.4Å; V494-E507 HydrophobicContact CG2-CG 3.91Å; V494-E507 WeakPolarHBondContact CG2-OE1 3.41Å; E507-F514 WeakPolarHBondContact CA-O 3.47Å; E507-V515 HydrophobicContact CG-CG2 4.48Å
508L96.6Very high94.4Very high19 Ų1934.1 Ų34.110%0.09920%0.204CC..EExtended strand (participates in β ladder)trans-94.1120.4173.3-172.465.9000111.1R388 F408 M491 H511 F514R388-L508 HydrophobicContact CG-CD2 3.57Å; F408-L508 HydrophobicContact CD2-CD1 4.06Å; F408-L508 HydrophobicContact CE2-CD1 3.4Å; F408-L508 VanDerWaalsContact CE2-CD1 3.4Å; F408-L508 HydrophobicContact CZ-CD1 3.93Å; M491-L508 HydrophobicContact CB-CD1 4.39Å; L508-H511 HydrophobicContact CB-CB 4.27Å; L508-H511 HydrophobicContact CD2-CB 4.17Å; L508-H511 HydrophobicContact CG-CB 4.36Å; L508-H511 PolarHBondContact O-N 3.42Å; L508-F514 HydrophobicContact CB-CB 3.75Å; L508-F514 HydrophobicContact CB-CD1 3.75Å; L508-F514 HydrophobicContact CB-CG 3.86Å; L508-F514 HydrophobicContact CD2-CD1 4.4Å; L508-F514 HydrophobicContact CD2-CD2 4.29Å; L508-F514 HydrophobicContact CD2-CG 4.16Å; L508-F514 PolarHBondContact N-O 2.74Å; L508-F514 VanDerWaalsContact N-O 3.1Å
509Q94.3Very high94.8Very high136 Ų13630.4 Ų30.464%0.63617%0.173SC*.THydrogen-bonded Turntrans-62.5136.5174.9-171.3179.7-6.500111.2G490 L492 H511G490-Q509 WeakPolarHBondContact O-CB 3.3Å; G490-Q509 PolarHBondContact O-N 3.49Å; L492-Q509 HydrophobicContact CD1-CB 4.46Å; Q509-H511 VanDerWaalsContact C-N 3.32Å
510G92.6Very high95.2Very high75 Ų7525.7 Ų25.777%0.77315%0.148SC*.THydrogen-bonded Turntrans79.310178.700000114.7
511H95.7Very high95.5Very high20 Ų2021.7 Ų21.79%0.09313%0.126CC..SBendtrans-115141.1174.2-165.9-71.4000110.7A387 Q391 I392 L508 Q509 F513 F514A387-H511 PolarHBondContact O-NE2 3.35Å; Q391-H511 WeakPolarHBondContact CA-NE2 3.33Å; Q391-H511 PolarHBondContact OE1-CD2 2.86Å; Q391-H511 VanDerWaalsContact OE1-CD2 3.31Å; I392-H511 PolarHBondContact O-CE1 3.02Å; L508-H511 HydrophobicContact CB-CB 4.27Å; L508-H511 HydrophobicContact CD2-CB 4.17Å; L508-H511 HydrophobicContact CG-CB 4.36Å; L508-H511 PolarHBondContact O-N 3.42Å; Q509-H511 VanDerWaalsContact C-N 3.32Å; H511-F513 PolarHBondContact CE1-O 3.45Å; H511-F513 VanDerWaalsContact CE1-O 3.31Å; H511-F513 PolarHBondContact ND1-N 2.78Å; H511-F513 PolarHBondContact ND1-O 3.44Å; H511-F513 PolarHBondContact O-N 3.17Å; H511-F514 HydrophobicContact CB-CB 4.01Å
512Q93.1Very high95.8Very high79 Ų7919.3 Ų19.337%0.36911%0.109SC..SBendtrans-57.3-49.5-175.6-174.4-166.8200112.4A540Q512-A540 PolarHBondContact NE2-O 3.34Å
513F96.6Very high96Very high0 Ų017.8 Ų17.80%010%0.104CC..SBendtrans-151.7104.6172.8-173-89.1000109P393 L394 L395 M457 L461 H511 V515 L537 A540 L545P393-F513 CarbonylContact C-O 3.53Å; P393-F513 VanDerWaalsContact CA-O 3.25Å; P393-F513 WeakPolarHBondContact CA-O 3.26Å; P393-F513 HydrophobicContact CB-CB 4.13Å; P393-F513 HydrophobicContact CB-CD1 4.48Å; L394-F513 PolarHBondContact N-O 3Å; L394-F513 VanDerWaalsContact O-CD1 3.32Å; L394-F513 WeakPolarHBondContact O-CD1 3.42Å; L394-F513 WeakPolarHBondContact O-CE1 3.44Å; L395-F513 HydrophobicContact CB-CE1 4.19Å; M457-F513 HydrophobicContact CE-CD2 3.5Å; M457-F513 HydrophobicContact CE-CE2 3.76Å; M457-F513 HydrophobicContact CE-CG 4.31Å; M457-F513 HydrophobicContact SD-CD2 3.67Å; M457-F513 HydrophobicContact SD-CE2 4.17Å; L461-F513 HydrophobicContact CD1-CE2 4.1Å; H511-F513 PolarHBondContact CE1-O 3.45Å; H511-F513 VanDerWaalsContact CE1-O 3.31Å; H511-F513 PolarHBondContact ND1-N 2.78Å; H511-F513 PolarHBondContact ND1-O 3.44Å; H511-F513 PolarHBondContact O-N 3.17Å; F513-V515 HydrophobicContact CD1-CG2 4.21Å; F513-V515 HydrophobicContact CD2-CG2 4.02Å; F513-V515 HydrophobicContact CE1-CB 4.08Å; F513-V515 HydrophobicContact CE1-CG2 3.86Å; F513-V515 HydrophobicContact CE2-CG2 3.64Å; F513-V515 HydrophobicContact CG-CG2 4.28Å; F513-V515 HydrophobicContact CZ-CB 4.01Å; F513-V515 HydrophobicContact CZ-CG2 3.56Å; F513-L537 HydrophobicContact CD1-CB 4.49Å; F513-L537 HydrophobicContact CD1-CD1 4.06Å; F513-L537 HydrophobicContact CE1-CB 3.84Å; F513-L537 HydrophobicContact CE1-CD1 4.04Å; F513-L537 HydrophobicContact CZ-CB 4.22Å; F513-L537 VanDerWaalsContact CZ-N 3.35Å; F513-A540 HydrophobicContact CB-CB 3.33Å; F513-A540 HydrophobicContact CD1-CB 4.38Å; F513-A540 HydrophobicContact CD2-CB 4.12Å; F513-A540 HydrophobicContact CG-CB 3.72Å; F513-L545 HydrophobicContact CB-CD2 4.28Å; F513-L545 HydrophobicContact CD2-CD2 3.98Å
514F97.9Very high95.8Very high4 Ų420.4 Ų20.42%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-136.191.1172.8-170.3-72.2000106.5R388 L394 A404 M491 E507 L508 H511 I516R388-F514 HydrophobicContact CB-CD2 4.35Å; R388-F514 HydrophobicContact CB-CE2 3.79Å; R388-F514 HydrophobicContact CG-CE2 4.47Å; L394-F514 HydrophobicContact CB-CD2 3.93Å; L394-F514 HydrophobicContact CB-CE2 4.33Å; L394-F514 HydrophobicContact CB-CG 4.35Å; L394-F514 HydrophobicContact CD2-CD1 4.19Å; L394-F514 HydrophobicContact CD2-CD2 3.66Å; L394-F514 HydrophobicContact CD2-CE1 3.84Å; L394-F514 HydrophobicContact CD2-CE2 3.27Å; L394-F514 HydrophobicContact CD2-CG 4.1Å; L394-F514 HydrophobicContact CD2-CZ 3.37Å; L394-F514 HydrophobicContact CG-CD2 4.44Å; L394-F514 HydrophobicContact CG-CE2 4.39Å; L394-F514 WeakPolarHBondContact O-CA 3.47Å; A404-F514 HydrophobicContact CB-CE1 4.12Å; A404-F514 HydrophobicContact CB-CZ 4.18Å; M491-F514 HydrophobicContact CE-CE1 4.4Å; E507-F514 WeakPolarHBondContact CA-O 3.47Å; L508-F514 HydrophobicContact CB-CB 3.75Å; L508-F514 HydrophobicContact CB-CD1 3.75Å; L508-F514 HydrophobicContact CB-CG 3.86Å; L508-F514 HydrophobicContact CD2-CD1 4.4Å; L508-F514 HydrophobicContact CD2-CD2 4.29Å; L508-F514 HydrophobicContact CD2-CG 4.16Å; L508-F514 PolarHBondContact N-O 2.74Å; L508-F514 VanDerWaalsContact N-O 3.1Å; H511-F514 HydrophobicContact CB-CB 4.01Å; F514-I516 HydrophobicContact CD1-CG2 4.02Å; F514-I516 HydrophobicContact CE1-CG2 3.71Å
515V97.8Very high95.7Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-114.2130.7-173.2-175.90000108.9L394 L395 A396 M457 V505 G506 E507 F513 V517 F533L394-V515 PolarHBondContact O-N 2.94Å; L395-V515 CarbonylContact C-O 3.4Å; L395-V515 WeakPolarHBondContact CA-O 3.16Å; L395-V515 HydrophobicContact CD1-CB 4.24Å; L395-V515 HydrophobicContact CD1-CG1 4.29Å; A396-V515 PolarHBondContact N-O 2.85Å; M457-V515 HydrophobicContact CE-CG2 3.18Å; V505-V515 HydrophobicContact CG1-CG1 4.29Å; G506-V515 WeakPolarHBondContact O-CA 3.37Å; E507-V515 HydrophobicContact CG-CG2 4.48Å; F513-V515 HydrophobicContact CD1-CG2 4.21Å; F513-V515 HydrophobicContact CD2-CG2 4.02Å; F513-V515 HydrophobicContact CE1-CB 4.08Å; F513-V515 HydrophobicContact CE1-CG2 3.86Å; F513-V515 HydrophobicContact CE2-CG2 3.64Å; F513-V515 HydrophobicContact CG-CG2 4.28Å; F513-V515 HydrophobicContact CZ-CB 4.01Å; F513-V515 HydrophobicContact CZ-CG2 3.56Å; V515-V517 HydrophobicContact CG1-CG1 4.12Å; V515-F533 HydrophobicContact CG1-CD1 3.67Å; V515-F533 HydrophobicContact CG1-CE1 3.6Å
516I98.1Very high95.2Very high1 Ų120.5 Ų20.51%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-122.7130.2-179.768.2178000108.7A396 M401 A404 V405 M491 F493 V505 G506 F514A396-I516 HydrophobicContact CB-CB 4.27Å; A396-I516 HydrophobicContact CB-CG2 3.79Å; A396-I516 CarbonylContact O-C 3.48Å; A396-I516 WeakPolarHBondContact O-CA 3.32Å; M401-I516 HydrophobicContact CB-CB 4.08Å; M401-I516 HydrophobicContact CE-CG1 4.47Å; M401-I516 HydrophobicContact CG-CB 3.87Å; M401-I516 HydrophobicContact CG-CD1 4.02Å; M401-I516 HydrophobicContact CG-CG1 3.96Å; A404-I516 HydrophobicContact CB-CG2 3.66Å; V405-I516 HydrophobicContact CG2-CD1 3.86Å; M491-I516 HydrophobicContact CE-CD1 4.19Å; M491-I516 HydrophobicContact CG-CD1 4.39Å; M491-I516 HydrophobicContact SD-CD1 3.87Å; F493-I516 HydrophobicContact CE1-CD1 4.22Å; V505-I516 CarbonylContact C-O 3.59Å; V505-I516 WeakPolarHBondContact CA-O 3.22Å; G506-I516 PolarHBondContact N-O 2.82Å; G506-I516 PolarHBondContact O-N 2.99Å; F514-I516 HydrophobicContact CD1-CG2 4.02Å; F514-I516 HydrophobicContact CE1-CG2 3.71Å
517V97.1Very high94.5Very high0 Ų020.8 Ų20.80%012%0.117CC..EExtended strand (participates in β ladder)trans-134139.2-175.3-62.60000111.1L395 A396 V397 S398 M401 D504 V505 V515 F519 P521 F533L395-V517 HydrophobicContact CD1-CG2 4.33Å; A396-V517 PolarHBondContact O-N 2.81Å; V397-V517 CarbonylContact C-O 3.5Å; V397-V517 HydrophobicContact CB-CG2 4.26Å; V397-V517 HydrophobicContact CG1-CG2 4.35Å; V397-V517 HydrophobicContact CG2-CG2 3.88Å; S398-V517 PolarHBondContact N-O 3.12Å; M401-V517 WeakPolarHBondContact CB-O 3.48Å; M401-V517 VanDerWaalsContact SD-C 3.55Å; D504-V517 CarbonylContact O-C 3.58Å; D504-V517 WeakPolarHBondContact O-CA 3.29Å; V505-V517 HydrophobicContact CG1-CG1 4.06Å; V505-V517 HydrophobicContact CG2-CG1 4.17Å; V515-V517 HydrophobicContact CG1-CG1 4.12Å; V517-F519 HydrophobicContact CB-CD2 4.36Å; V517-F519 HydrophobicContact CB-CE2 4.01Å; V517-F519 HydrophobicContact CB-CZ 4.15Å; V517-F519 HydrophobicContact CG1-CE2 4.12Å; V517-F519 HydrophobicContact CG1-CZ 4.03Å; V517-F519 HydrophobicContact CG2-CE2 4.47Å; V517-P521 HydrophobicContact CG2-CG 4.06Å; V517-F533 HydrophobicContact CG1-CD1 3.9Å; V517-F533 HydrophobicContact CG1-CD2 4.48Å; V517-F533 HydrophobicContact CG1-CE1 3.52Å; V517-F533 HydrophobicContact CG1-CE2 4.14Å; V517-F533 HydrophobicContact CG1-CG 4.37Å; V517-F533 HydrophobicContact CG1-CZ 3.65Å
518D95.8Very high93.6Very high1 Ų124.1 Ų24.11%0.00514%0.135CC..SBendtrans-83.7-36.9177.5-179.287.5000112.5M401 Y402 R443 H472 S474 D504M401-D518 HydrophobicContact SD-CB 3.68Å; M401-D518 PolarHBondContact SD-N 2.87Å; Y402-D518 VanDerWaalsContact CE1-OD1 3.31Å; Y402-D518 WeakPolarHBondContact CE1-OD1 3.49Å; Y402-D518 PolarHBondContact OH-OD1 3.28Å; R443-D518 IonicContact CZ-OD2 3.77Å; R443-D518 VanDerWaalsContact CZ-OD2 3.31Å; R443-D518 IonicContact NE-OD2 3.85Å; R443-D518 IonicContact NH1-OD2 3.13Å; R443-D518 VanDerWaalsContact NH2-CG 3.29Å; R443-D518 IonicContact NH2-OD1 3.49Å; R443-D518 IonicContact NH2-OD2 3.49Å; R443-D518 PolarHBondContact NH2-OD2 3.21Å; H472-D518 IonicContact CE1-OD2 2.75Å; H472-D518 IonicContact ND1-OD2 2.65Å; H472-D518 PolarHBondContact ND1-OD2 2.96Å; S474-D518 WeakPolarHBondContact CB-OD2 3.38Å; S474-D518 PolarHBondContact OG-O 2.81Å; S474-D518 PolarHBondContact OG-OD2 3.1Å; D504-D518 PolarHBondContact O-N 2.82Å
519F96Very high93.1Very high0 Ų024.7 Ų24.70%014%0.136CC..SBendtrans-72.5172.7174.449-101.6000111.6V397 E470 R471 H472 D504 V505 V517 P521 F533V397-F519 WeakPolarHBondContact CG1-O 3.14Å; E470-F519 HydrophobicContact CB-CB 3.85Å; E470-F519 HydrophobicContact CB-CD1 3.83Å; E470-F519 HydrophobicContact CB-CD2 3.39Å; E470-F519 HydrophobicContact CB-CE1 4.21Å; E470-F519 HydrophobicContact CB-CE2 3.83Å; E470-F519 HydrophobicContact CB-CG 3.41Å; E470-F519 VanDerWaalsContact CB-CG 3.41Å; E470-F519 HydrophobicContact CB-CZ 4.21Å; E470-F519 HydrophobicContact CG-CD1 4.43Å; E470-F519 HydrophobicContact CG-CD2 3.68Å; E470-F519 HydrophobicContact CG-CE1 4.33Å; E470-F519 HydrophobicContact CG-CE2 3.58Å; E470-F519 HydrophobicContact CG-CG 4.14Å; E470-F519 HydrophobicContact CG-CZ 3.92Å; R471-F519 WeakPolarHBondContact O-CB 3.46Å; H472-F519 AromaticContact CE1-CD1 3.71Å; H472-F519 AromaticContact NE2-CD1 3.8Å; D504-F519 HydrophobicContact CB-CD1 4.28Å; D504-F519 HydrophobicContact CB-CE1 4.29Å; V505-F519 HydrophobicContact CG2-CE1 3.56Å; V505-F519 HydrophobicContact CG2-CZ 3.64Å; V517-F519 HydrophobicContact CB-CD2 4.36Å; V517-F519 HydrophobicContact CB-CE2 4.01Å; V517-F519 HydrophobicContact CB-CZ 4.15Å; V517-F519 HydrophobicContact CG1-CE2 4.12Å; V517-F519 HydrophobicContact CG1-CZ 4.03Å; V517-F519 HydrophobicContact CG2-CE2 4.47Å; F519-P521 HydrophobicContact CD2-CB 4.08Å; F519-P521 HydrophobicContact CD2-CG 4.18Å; F519-P521 HydrophobicContact CE2-CB 3.97Å; F519-P521 HydrophobicContact CE2-CG 4.12Å; F519-P521 WeakPolarHBondContact O-CD 3.34Å; F519-F533 AromaticContact CE2-CD2 3.96Å; F519-F533 HydrophobicContact CE2-CD2 3.96Å; F519-F533 AromaticContact CE2-CE2 3.38Å; F519-F533 HydrophobicContact CE2-CE2 3.38Å; F519-F533 HydrophobicContact CE2-CZ 4.08Å; F519-F533 HydrophobicContact CZ-CD2 4.4Å; F519-F533 AromaticContact CZ-CE2 3.41Å; F519-F533 HydrophobicContact CZ-CE2 3.41Å; F519-F533 VanDerWaalsContact CZ-CE2 3.41Å; F519-F533 AromaticContact CZ-CZ 3.71Å; F519-F533 HydrophobicContact CZ-CZ 3.71Å
520H96.4Very high92.9Very high9 Ų918.4 Ų18.44%0.04211%0.107CC..  trans-106.784.5179-74.7-88000110.1G370 S398 R471 E522 F523G370-H520 PolarHBondContact O-CE1 3.42Å; S398-H520 VanDerWaalsContact CB-CE1 3.41Å; S398-H520 WeakPolarHBondContact CB-CE1 3.4Å; S398-H520 VanDerWaalsContact CB-NE2 3.27Å; S398-H520 WeakPolarHBondContact CB-NE2 3.48Å; S398-H520 PolarHBondContact OG-NE2 2.93Å; R471-H520 PolarHBondContact O-N 3.12Å; H520-E522 VanDerWaalsContact CB-OE1 3.29Å; H520-E522 WeakPolarHBondContact CB-OE1 3.37Å; H520-E522 IonicContact CE1-OE1 2.63Å; H520-E522 IonicContact CG-OE1 3.31Å; H520-E522 IonicContact ND1-OE1 3.21Å; H520-E522 PolarHBondContact ND1-OE1 3.05Å; H520-E522 PolarHBondContact O-N 3.38Å; H520-F523 HydrophobicContact CB-CD2 3.37Å; H520-F523 HydrophobicContact CB-CE2 3.41Å; H520-F523 VanDerWaalsContact CB-CE2 3.41Å; H520-F523 HydrophobicContact CB-CG 4.13Å; H520-F523 HydrophobicContact CB-CZ 4.19Å; H520-F523 AromaticContact CG-CE2 3.68Å; H520-F523 PolarHBondContact O-N 3.14Å
521P95.3Very high92.9Very high0 Ų015 Ų150%07%0.072CC..G310 helixtrans-67.4-17.5-175.624.9-29000113.3V517 F519 F523 R524 S531 F533 Y534V517-P521 HydrophobicContact CG2-CG 4.06Å; F519-P521 HydrophobicContact CD2-CB 4.08Å; F519-P521 HydrophobicContact CD2-CG 4.18Å; F519-P521 HydrophobicContact CE2-CB 3.97Å; F519-P521 HydrophobicContact CE2-CG 4.12Å; F519-P521 WeakPolarHBondContact O-CD 3.34Å; P521-F523 PolarHBondContact O-N 3.41Å; P521-R524 PolarHBondContact O-N 2.88Å; P521-S531 WeakPolarHBondContact CB-OG 3.37Å; P521-F533 HydrophobicContact CB-CB 4.46Å; P521-F533 HydrophobicContact CB-CD2 3.75Å; P521-F533 HydrophobicContact CB-CG 4.49Å; P521-F533 HydrophobicContact CG-CB 4.22Å; P521-F533 HydrophobicContact CG-CD2 3.98Å; P521-F533 HydrophobicContact CG-CG 4.34Å; P521-Y534 HydrophobicContact CB-CE2 4.49Å; P521-Y534 HydrophobicContact CG-CE2 4.01Å
522E95.7Very high92.8Very high2 Ų214.8 Ų14.81%0.0097%0.072CC..G310 helixtrans-60-33.3173.458.2-80.2-171.500113A316 A319 I369 H520 R524 S525 Y534A316-E522 HydrophobicContact CB-CB 4.44Å; A316-E522 HydrophobicContact CB-CG 4.46Å; A319-E522 HydrophobicContact CB-CB 3.97Å; I369-E522 WeakPolarHBondContact CD1-OE1 3.4Å; H520-E522 VanDerWaalsContact CB-OE1 3.29Å; H520-E522 WeakPolarHBondContact CB-OE1 3.37Å; H520-E522 IonicContact CE1-OE1 2.63Å; H520-E522 IonicContact CG-OE1 3.31Å; H520-E522 IonicContact ND1-OE1 3.21Å; H520-E522 PolarHBondContact ND1-OE1 3.05Å; H520-E522 PolarHBondContact O-N 3.38Å; E522-R524 PolarHBondContact O-N 3.44Å; E522-S525 WeakPolarHBondContact O-CB 3.49Å; E522-S525 PolarHBondContact O-N 2.89Å; E522-Y534 HydrophobicContact CB-CE2 3.82Å; E522-Y534 WeakPolarHBondContact CB-OH 3.12Å; E522-Y534 PolarHBondContact OE2-OH 3.09Å
523F95.6Very high92.9Very high5 Ų511 Ų112%0.0225%0.054CC..G310 helixtrans-69.3-14.5-178-62.8-31.9000113.1E58 I59 F60 V61 R471 H520 P521E58-F523 HydrophobicContact CG-CE1 4.35Å; I59-F523 WeakPolarHBondContact O-CZ 3.49Å; F60-F523 AromaticContact CD2-CD1 3.53Å; F60-F523 HydrophobicContact CD2-CD1 3.53Å; F60-F523 AromaticContact CD2-CE1 3.98Å; F60-F523 HydrophobicContact CD2-CE1 3.98Å; F60-F523 HydrophobicContact CD2-CG 4.29Å; F60-F523 HydrophobicContact CE2-CB 3.97Å; F60-F523 AromaticContact CE2-CD1 3.58Å; F60-F523 HydrophobicContact CE2-CD1 3.58Å; F60-F523 HydrophobicContact CE2-CE1 4.46Å; F60-F523 HydrophobicContact CE2-CG 4.1Å; F60-F523 HydrophobicContact CG-CD1 4.46Å; F60-F523 HydrophobicContact CZ-CB 4.19Å; F60-F523 WeakPolarHBondContact CZ-O 3.45Å; V61-F523 HydrophobicContact CB-CD2 3.93Å; V61-F523 HydrophobicContact CB-CE2 3.86Å; V61-F523 HydrophobicContact CG2-CD2 4.41Å; V61-F523 HydrophobicContact CG2-CE2 3.82Å; V61-F523 HydrophobicContact CG2-CZ 4.46Å; R471-F523 HydrophobicContact CB-CB 4.33Å; R471-F523 HydrophobicContact CB-CD2 4.2Å; R471-F523 PolarHBondContact NH1-O 3.5Å; R471-F523 VanDerWaalsContact NH1-O 3.12Å; H520-F523 HydrophobicContact CB-CD2 3.37Å; H520-F523 HydrophobicContact CB-CE2 3.41Å; H520-F523 VanDerWaalsContact CB-CE2 3.41Å; H520-F523 HydrophobicContact CB-CG 4.13Å; H520-F523 HydrophobicContact CB-CZ 4.19Å; H520-F523 AromaticContact CG-CE2 3.68Å; H520-F523 PolarHBondContact O-N 3.14Å; P521-F523 PolarHBondContact O-N 3.41Å
524R92.1Very high92.9Very high57 Ų5711 Ų1122%0.2155%0.054CC..G310 helixtrans-106.1-0.7176.6-63-164.578.4-142.60.2113.9D469 E470 R471 P521 E522 R529D469-R524 WeakPolarHBondContact O-CD 3.37Å; D469-R524 VanDerWaalsContact O-CZ 3.29Å; D469-R524 PolarHBondContact O-NH1 3.25Å; E470-R524 WeakPolarHBondContact OE2-CD 3.36Å; E470-R524 WeakPolarHBondContact OE2-CG 3.32Å; R471-R524 HydrophobicContact CG-CG 4.1Å; P521-R524 PolarHBondContact O-N 2.88Å; E522-R524 PolarHBondContact O-N 3.44Å; R524-R529 PolarHBondContact O-NH1 2.95Å
525S92.7Very high92.8Very high0 Ų011 Ų110%05%0.054CC..  trans-77.5120.5179.5-168.70000110.9N77 A319 H322 E522 S531N77-S525 VanDerWaalsContact CG-O 3.22Å; N77-S525 PolarHBondContact OD1-O 3.28Å; A319-S525 WeakPolarHBondContact CA-OG 3.27Å; H322-S525 PolarHBondContact CE1-O 3.29Å; H322-S525 VanDerWaalsContact CE1-O 3.31Å; H322-S525 PolarHBondContact ND1-O 3.4Å; H322-S525 PolarHBondContact ND1-OG 3.25Å; H322-S525 VanDerWaalsContact ND1-OG 3.09Å; E522-S525 WeakPolarHBondContact O-CB 3.49Å; E522-S525 PolarHBondContact O-N 2.89Å; S525-S531 PolarHBondContact OG-N 3.1Å; S525-S531 VanDerWaalsContact OG-N 3.11Å
526A87.4Confident92.7Very high3 Ų311 Ų113%0.0255%0.054CC..BIsolated β-bridgetrans-118.9162.5175.600000110.7H322 L528 R529 P530H322-A526 VanDerWaalsContact ND1-C 3.33Å; H322-A526 PolarHBondContact ND1-O 2.83Å; A526-L528 VanDerWaalsContact C-N 3.31Å; A526-L528 PolarHBondContact O-N 2.83Å; A526-R529 HydrophobicContact CB-CB 4.36Å; A526-R529 PolarHBondContact N-O 3.4Å; A526-R529 CarbonylContact O-C 3.57Å; A526-R529 PolarHBondContact O-N 3.01Å; A526-R529 VanDerWaalsContact O-O 3.14Å; A526-P530 VanDerWaalsContact O-N 3.16Å
527G80.3Confident92.6Very high5 Ų510.9 Ų10.95%0.0525%0.054CC..THydrogen-bonded Turntrans-57.7-41.5-176.300000113.5N77N77-G527 PolarHBondContact O-N 2.97Å
528L79.7Confident92.6Very high91 Ų9110.9 Ų10.948%0.4765%0.054SC..THydrogen-bonded Turntrans-89.7-7.7176.9-61.6176.5000113.7L287 A526L287-L528 HydrophobicContact CD2-CD2 4.49Å; A526-L528 VanDerWaalsContact C-N 3.31Å; A526-L528 PolarHBondContact O-N 2.83Å
529R84.4Confident92.6Very high31 Ų3111.4 Ų11.412%0.1176%0.056CC..BIsolated β-bridgetrans-141.772.6-176.9-176.1170.950.566.611.3108.8N80 R82 R524 A526 P558N80-R529 PolarHBondContact OD1-NH2 2.99Å; R82-R529 VanDerWaalsContact NH2-CZ 3.35Å; R82-R529 VanDerWaalsContact NH2-NH1 3.13Å; R524-R529 PolarHBondContact O-NH1 2.95Å; A526-R529 HydrophobicContact CB-CB 4.36Å; A526-R529 PolarHBondContact N-O 3.4Å; A526-R529 CarbonylContact O-C 3.57Å; A526-R529 PolarHBondContact O-N 3.01Å; A526-R529 VanDerWaalsContact O-O 3.14Å; R529-P558 HydrophobicContact CG-CG 4.23Å
530P90.9Very high92.6Very high3 Ų311.5 Ų11.52%0.0196%0.057CC..  trans-64152.9-179.431.6-40.5000110.7H322 T326 A526 P532 V535 F556H322-P530 HydrophobicContact CB-CB 3.87Å; T326-P530 HydrophobicContact CG2-CG 4.24Å; T326-P530 WeakPolarHBondContact OG1-CG 3.21Å; A526-P530 VanDerWaalsContact O-N 3.16Å; P530-P532 WeakPolarHBondContact O-CD 3.4Å; P530-V535 HydrophobicContact CB-CG2 3.7Å; P530-V535 HydrophobicContact CG-CG2 3.67Å; P530-F556 HydrophobicContact CG-CB 4.41Å; P530-F556 HydrophobicContact CG-CG 4.48Å
531S93.3Very high92.7Very high5 Ų511.5 Ų11.54%0.0356%0.058CC..  trans-66.8127.5175.2173.10000111.5P521 S525 F533 Y534 V535P521-S531 WeakPolarHBondContact CB-OG 3.37Å; S525-S531 PolarHBondContact OG-N 3.1Å; S525-S531 VanDerWaalsContact OG-N 3.11Å; S531-F533 PolarHBondContact O-N 2.94Å; S531-Y534 PolarHBondContact O-N 2.92Å; S531-V535 WeakPolarHBondContact O-CG2 3.44Å; S531-V535 PolarHBondContact O-N 3.23Å
532P93.4Very high92.7Very high15 Ų1512.6 Ų12.610%0.0977%0.066CC..Hα-helixtrans-57.4-32.2179.8-29.938.6000114.6L461 Y462 P530 V535 G536L461-P532 HydrophobicContact CB-CB 4.14Å; Y462-P532 HydrophobicContact CD1-CB 4.38Å; Y462-P532 HydrophobicContact CD1-CG 3.82Å; Y462-P532 HydrophobicContact CD2-CB 4.07Å; Y462-P532 HydrophobicContact CD2-CG 4.39Å; Y462-P532 HydrophobicContact CE1-CB 4.27Å; Y462-P532 HydrophobicContact CE1-CG 3.66Å; Y462-P532 HydrophobicContact CE2-CB 3.92Å; Y462-P532 HydrophobicContact CE2-CG 4.22Å; Y462-P532 HydrophobicContact CG-CB 4.3Å; Y462-P532 HydrophobicContact CG-CG 4.21Å; P530-P532 WeakPolarHBondContact O-CD 3.4Å; P532-V535 PolarHBondContact O-N 3.19Å; P532-G536 PolarHBondContact O-N 2.85Å
533F95.2Very high92.6Very high0 Ų017 Ų170%010%0.097CC..Hα-helixtrans-65.9-40.7175.8-72.6-71.7000112.6L395 T458 Y462 V505 V515 V517 F519 P521 S531 G536 L537L395-F533 HydrophobicContact CD1-CB 4.03Å; L395-F533 HydrophobicContact CD1-CD1 4.26Å; L395-F533 HydrophobicContact CD1-CG 4.45Å; L395-F533 HydrophobicContact CD2-CB 4.02Å; T458-F533 HydrophobicContact CG2-CE1 3.66Å; T458-F533 HydrophobicContact CG2-CZ 3.54Å; Y462-F533 AromaticContact CE2-CD2 3.99Å; Y462-F533 HydrophobicContact CE2-CD2 3.99Å; Y462-F533 AromaticContact CE2-CE2 3.47Å; Y462-F533 HydrophobicContact CE2-CE2 3.47Å; Y462-F533 VanDerWaalsContact CE2-CE2 3.47Å; Y462-F533 AromaticContact CE2-CZ 3.84Å; Y462-F533 HydrophobicContact CE2-CZ 3.84Å; Y462-F533 AromaticContact CZ-CE2 3.74Å; Y462-F533 WeakPolarHBondContact OH-CD2 3.27Å; Y462-F533 WeakPolarHBondContact OH-CE2 3.45Å; V505-F533 HydrophobicContact CG1-CE1 4.06Å; V505-F533 HydrophobicContact CG1-CZ 4.17Å; V505-F533 HydrophobicContact CG2-CZ 4.09Å; V515-F533 HydrophobicContact CG1-CD1 3.67Å; V515-F533 HydrophobicContact CG1-CE1 3.6Å; V517-F533 HydrophobicContact CG1-CD1 3.9Å; V517-F533 HydrophobicContact CG1-CD2 4.48Å; V517-F533 HydrophobicContact CG1-CE1 3.52Å; V517-F533 HydrophobicContact CG1-CE2 4.14Å; V517-F533 HydrophobicContact CG1-CG 4.37Å; V517-F533 HydrophobicContact CG1-CZ 3.65Å; F519-F533 AromaticContact CE2-CD2 3.96Å; F519-F533 HydrophobicContact CE2-CD2 3.96Å; F519-F533 AromaticContact CE2-CE2 3.38Å; F519-F533 HydrophobicContact CE2-CE2 3.38Å; F519-F533 HydrophobicContact CE2-CZ 4.08Å; F519-F533 HydrophobicContact CZ-CD2 4.4Å; F519-F533 AromaticContact CZ-CE2 3.41Å; F519-F533 HydrophobicContact CZ-CE2 3.41Å; F519-F533 VanDerWaalsContact CZ-CE2 3.41Å; F519-F533 AromaticContact CZ-CZ 3.71Å; F519-F533 HydrophobicContact CZ-CZ 3.71Å; P521-F533 HydrophobicContact CB-CB 4.46Å; P521-F533 HydrophobicContact CB-CD2 3.75Å; P521-F533 HydrophobicContact CB-CG 4.49Å; P521-F533 HydrophobicContact CG-CB 4.22Å; P521-F533 HydrophobicContact CG-CD2 3.98Å; P521-F533 HydrophobicContact CG-CG 4.34Å; S531-F533 PolarHBondContact O-N 2.94Å; F533-G536 PolarHBondContact O-N 3.35Å; F533-L537 PolarHBondContact O-N 3.19Å
534Y96.4Very high92.3Very high0 Ų019.2 Ų19.20%011%0.107CC..Hα-helixtrans-72.2-38.3177.1-76.5-99000111A316 A319 L320 A323 L367 L395 P521 E522 S531 L537 I538A316-Y534 HydrophobicContact CB-CE1 4.4Å; A319-Y534 HydrophobicContact CB-CD1 3.64Å; A319-Y534 HydrophobicContact CB-CD2 3.84Å; A319-Y534 HydrophobicContact CB-CE1 3.76Å; A319-Y534 HydrophobicContact CB-CE2 3.94Å; A319-Y534 HydrophobicContact CB-CG 3.69Å; L320-Y534 HydrophobicContact CD2-CD1 3.79Å; L320-Y534 HydrophobicContact CD2-CE1 4.3Å; L320-Y534 HydrophobicContact CG-CD1 3.79Å; L320-Y534 HydrophobicContact CG-CE1 3.99Å; A323-Y534 VanDerWaalsContact CB-C 3.49Å; L367-Y534 HydrophobicContact CD1-CE1 4.41Å; L367-Y534 HydrophobicContact CD2-CE1 3.7Å; L395-Y534 HydrophobicContact CD2-CD1 4.44Å; L395-Y534 HydrophobicContact CD2-CD2 4.07Å; L395-Y534 HydrophobicContact CD2-CE1 4.44Å; L395-Y534 HydrophobicContact CD2-CE2 4.08Å; L395-Y534 HydrophobicContact CD2-CG 4.26Å; P521-Y534 HydrophobicContact CB-CE2 4.49Å; P521-Y534 HydrophobicContact CG-CE2 4.01Å; E522-Y534 HydrophobicContact CB-CE2 3.82Å; E522-Y534 WeakPolarHBondContact CB-OH 3.12Å; E522-Y534 PolarHBondContact OE2-OH 3.09Å; S531-Y534 PolarHBondContact O-N 2.92Å; Y534-L537 PolarHBondContact O-N 3.04Å; Y534-I538 WeakPolarHBondContact O-CG1 3.49Å; Y534-I538 PolarHBondContact O-N 3.12Å
535V95Very high92.3Very high2 Ų216.7 Ų16.71%0.01210%0.098CC..Hα-helixtrans-61.1-46172.1-1790000110.7A323 P530 S531 P532 L537 I538 L539 F554A323-V535 HydrophobicContact CB-CB 4.42Å; A323-V535 HydrophobicContact CB-CG2 3.87Å; P530-V535 HydrophobicContact CB-CG2 3.7Å; P530-V535 HydrophobicContact CG-CG2 3.67Å; S531-V535 WeakPolarHBondContact O-CG2 3.44Å; S531-V535 PolarHBondContact O-N 3.23Å; P532-V535 PolarHBondContact O-N 3.19Å; V535-L537 VanDerWaalsContact C-N 3.32Å; V535-L537 PolarHBondContact O-N 2.92Å; V535-I538 PolarHBondContact O-N 3.22Å; V535-L539 HydrophobicContact CG1-CD1 3.84Å; V535-L539 HydrophobicContact CG1-CG 4.17Å; V535-L539 WeakPolarHBondContact O-CB 3.43Å; V535-L539 VanDerWaalsContact O-CG 3.32Å; V535-L539 WeakPolarHBondContact O-CG 3.3Å; V535-L539 PolarHBondContact O-N 3.01Å; V535-F554 HydrophobicContact CB-CE1 4.46Å; V535-F554 HydrophobicContact CB-CZ 4.5Å; V535-F554 HydrophobicContact CG1-CE1 3.73Å; V535-F554 HydrophobicContact CG1-CZ 3.48Å; V535-F554 VanDerWaalsContact CG1-CZ 3.48Å
536G95.4Very high92Very high0 Ų021.9 Ų21.90%013%0.13CC..Hα-helixtrans-57.9-42.6175.800000112.9P532 F533 A540P532-G536 PolarHBondContact O-N 2.85Å; F533-G536 PolarHBondContact O-N 3.35Å; G536-A540 VanDerWaalsContact O-CB 3.28Å; G536-A540 WeakPolarHBondContact O-CB 3.24Å; G536-A540 PolarHBondContact O-N 3.31Å
537L97.7Very high92Very high0 Ų027.2 Ų27.20%016%0.158CC..Hα-helixtrans-61.7-47175.5178.265000111.8I300 L320 L367 P393 L395 F513 F533 Y534 V535 A540 A541I300-L537 HydrophobicContact CD1-CG 4.37Å; I300-L537 HydrophobicContact CG2-CD2 4.25Å; L320-L537 HydrophobicContact CD2-CD2 4.07Å; L367-L537 HydrophobicContact CB-CD2 4.26Å; P393-L537 HydrophobicContact CB-CD1 4.09Å; L395-L537 HydrophobicContact CB-CB 4.36Å; L395-L537 HydrophobicContact CB-CD1 4.31Å; L395-L537 HydrophobicContact CB-CD2 3.95Å; L395-L537 HydrophobicContact CB-CG 4.43Å; F513-L537 HydrophobicContact CD1-CB 4.49Å; F513-L537 HydrophobicContact CD1-CD1 4.06Å; F513-L537 HydrophobicContact CE1-CB 3.84Å; F513-L537 HydrophobicContact CE1-CD1 4.04Å; F513-L537 HydrophobicContact CZ-CB 4.22Å; F513-L537 VanDerWaalsContact CZ-N 3.35Å; F533-L537 PolarHBondContact O-N 3.19Å; Y534-L537 PolarHBondContact O-N 3.04Å; V535-L537 VanDerWaalsContact C-N 3.32Å; V535-L537 PolarHBondContact O-N 2.92Å; L537-A540 PolarHBondContact O-N 3.29Å; L537-A541 VanDerWaalsContact O-CB 3.26Å; L537-A541 WeakPolarHBondContact O-CB 3.32Å; L537-A541 PolarHBondContact O-N 2.82Å
538I96.5Very high92.2Very high0 Ų028 Ų280%016%0.164CC..Hα-helixtrans-64.6-46.2-179.9-65.5-64.1000110.8V298 I300 L320 A323 C327 R329 V331 Y534 V535 A540 A541 S542V298-I538 HydrophobicContact CG1-CD1 3.92Å; V298-I538 HydrophobicContact CG1-CG2 4.21Å; I300-I538 HydrophobicContact CD1-CD1 4.21Å; I300-I538 HydrophobicContact CG1-CD1 3.96Å; L320-I538 HydrophobicContact CD2-CD1 4.09Å; A323-I538 HydrophobicContact CB-CG1 3.83Å; C327-I538 HydrophobicContact CB-CG2 3.63Å; R329-I538 HydrophobicContact CB-CG2 4.44Å; R329-I538 HydrophobicContact CG-CG2 4.47Å; V331-I538 HydrophobicContact CB-CD1 4.48Å; V331-I538 HydrophobicContact CG2-CD1 4.1Å; Y534-I538 WeakPolarHBondContact O-CG1 3.49Å; Y534-I538 PolarHBondContact O-N 3.12Å; V535-I538 PolarHBondContact O-N 3.22Å; I538-A540 VanDerWaalsContact C-N 3.29Å; I538-A540 PolarHBondContact O-N 2.97Å; I538-A541 PolarHBondContact O-N 2.97Å; I538-S542 WeakPolarHBondContact O-CB 3.43Å; I538-S542 PolarHBondContact O-N 3.23Å; I538-S542 PolarHBondContact O-OG 2.91Å
539L95.4Very high92.2Very high12 Ų1225.5 Ų25.56%0.06315%0.151CC..Hα-helixtrans-60.7-38.1177-72.8174.1000112.3C327 V535 S542 S543 Q544 L545 A548 F554C327-L539 HydrophobicContact CB-CD2 4.21Å; V535-L539 HydrophobicContact CG1-CD1 3.84Å; V535-L539 HydrophobicContact CG1-CG 4.17Å; V535-L539 WeakPolarHBondContact O-CB 3.43Å; V535-L539 VanDerWaalsContact O-CG 3.32Å; V535-L539 WeakPolarHBondContact O-CG 3.3Å; V535-L539 PolarHBondContact O-N 3.01Å; L539-S542 WeakPolarHBondContact CA-OG 3.16Å; L539-S542 PolarHBondContact O-OG 3.13Å; L539-S543 PolarHBondContact O-N 2.96Å; L539-S543 VanDerWaalsContact O-N 3.15Å; L539-Q544 HydrophobicContact CD2-CB 3.73Å; L539-Q544 PolarHBondContact O-N 3.22Å; L539-L545 HydrophobicContact CB-CB 4.1Å; L539-L545 HydrophobicContact CB-CD1 4.06Å; L539-L545 HydrophobicContact CD1-CD1 4.42Å; L539-L545 PolarHBondContact O-N 3.14Å; L539-A548 HydrophobicContact CD1-CB 3.59Å; L539-A548 HydrophobicContact CD2-CB 4.07Å; L539-A548 HydrophobicContact CG-CB 4.42Å; L539-F554 HydrophobicContact CD1-CE2 3.78Å; L539-F554 HydrophobicContact CD1-CZ 3.64Å
540A96.4Very high91.9Very high1 Ų128.3 Ų28.31%0.00818%0.175CC..Hα-helixtrans-66.8-47.5176.100000111.2P393 Q512 F513 G536 L537 I538 S542 S543 L545P393-A540 HydrophobicContact CB-CB 3.71Å; P393-A540 HydrophobicContact CG-CB 3.81Å; Q512-A540 PolarHBondContact NE2-O 3.34Å; F513-A540 HydrophobicContact CB-CB 3.33Å; F513-A540 HydrophobicContact CD1-CB 4.38Å; F513-A540 HydrophobicContact CD2-CB 4.12Å; F513-A540 HydrophobicContact CG-CB 3.72Å; G536-A540 VanDerWaalsContact O-CB 3.28Å; G536-A540 WeakPolarHBondContact O-CB 3.24Å; G536-A540 PolarHBondContact O-N 3.31Å; L537-A540 PolarHBondContact O-N 3.29Å; I538-A540 VanDerWaalsContact C-N 3.29Å; I538-A540 PolarHBondContact O-N 2.97Å; A540-S542 PolarHBondContact O-N 2.89Å; A540-S543 PolarHBondContact O-N 2.72Å; A540-S543 VanDerWaalsContact O-N 3.09Å; A540-L545 HydrophobicContact CB-CB 4.39Å; A540-L545 HydrophobicContact CB-CD2 4.02Å
541A97Very high90.9Very high9 Ų930.9 Ų30.97%0.07420%0.197CC..Hα-helixtrans-64.9-27.2178.500000112.9V298 I300 H364 L537 I538V298-A541 HydrophobicContact CG2-CB 3.59Å; I300-A541 HydrophobicContact CD1-CB 3.73Å; H364-A541 HydrophobicContact CB-CB 3.95Å; H364-A541 VanDerWaalsContact CB-O 3.31Å; H364-A541 WeakPolarHBondContact CB-O 3.48Å; H364-A541 WeakPolarHBondContact O-CA 3.48Å; H364-A541 WeakPolarHBondContact O-CB 3.23Å; L537-A541 VanDerWaalsContact O-CB 3.26Å; L537-A541 WeakPolarHBondContact O-CB 3.32Å; L537-A541 PolarHBondContact O-N 2.82Å; I538-A541 PolarHBondContact O-N 2.97Å
542S95.2Very high88.8Confident23 Ų2339.3 Ų39.316%0.16124%0.239CC..THydrogen-bonded Turntrans-945.4174.567.60000114I538 L539 A540 Q544I538-S542 WeakPolarHBondContact O-CB 3.43Å; I538-S542 PolarHBondContact O-N 3.23Å; I538-S542 PolarHBondContact O-OG 2.91Å; L539-S542 WeakPolarHBondContact CA-OG 3.16Å; L539-S542 PolarHBondContact O-OG 3.13Å; A540-S542 PolarHBondContact O-N 2.89Å; S542-Q544 PolarHBondContact O-N 3.24Å; S542-Q544 PolarHBondContact OG-OE1 3Å
543S93.8Very high86.7Confident94 Ų9442.7 Ų42.766%0.65726%0.264SS*.THydrogen-bonded Turntrans58.824.3-176.6-52.20000115.2L539 A540L539-S543 PolarHBondContact O-N 2.96Å; L539-S543 VanDerWaalsContact O-N 3.15Å; A540-S543 PolarHBondContact O-N 2.72Å; A540-S543 VanDerWaalsContact O-N 3.09Å
544Q91.1Very high84.4Confident52 Ų5244.5 Ų44.524%0.24327%0.272CS..  trans-100.6-4.9179-67.5172-55.600113.4R329 L539 S542 V546 D547 A548R329-Q544 VanDerWaalsContact NH2-NE2 3.16Å; L539-Q544 HydrophobicContact CD2-CB 3.73Å; L539-Q544 PolarHBondContact O-N 3.22Å; S542-Q544 PolarHBondContact O-N 3.24Å; S542-Q544 PolarHBondContact OG-OE1 3Å; Q544-V546 PolarHBondContact O-N 3.43Å; Q544-D547 PolarHBondContact O-N 3.14Å; Q544-A548 VanDerWaalsContact O-CB 3.3Å; Q544-A548 WeakPolarHBondContact O-CB 3.4Å; Q544-A548 PolarHBondContact O-N 3.18Å
545L90.4Very high82Confident5 Ų549.1 Ų49.13%0.02630%0.302CS..Hα-helixtrans-59.2-43.9-172.4-177.467.5000113.6M457 L461 F513 L539 A540 A548 L549M457-L545 HydrophobicContact SD-CD2 3.8Å; L461-L545 HydrophobicContact CD2-CD1 4.3Å; F513-L545 HydrophobicContact CB-CD2 4.28Å; F513-L545 HydrophobicContact CD2-CD2 3.98Å; L539-L545 HydrophobicContact CB-CB 4.1Å; L539-L545 HydrophobicContact CB-CD1 4.06Å; L539-L545 HydrophobicContact CD1-CD1 4.42Å; L539-L545 PolarHBondContact O-N 3.14Å; A540-L545 HydrophobicContact CB-CB 4.39Å; A540-L545 HydrophobicContact CB-CD2 4.02Å; L545-A548 PolarHBondContact O-N 3.09Å; L545-L549 HydrophobicContact CD1-CD1 3.87Å; L545-L549 HydrophobicContact CD1-CD2 4.49Å; L545-L549 HydrophobicContact CD1-CG 3.97Å; L545-L549 HydrophobicContact CD2-CD1 4.4Å; L545-L549 HydrophobicContact CG-CD1 3.8Å; L545-L549 HydrophobicContact CG-CG 4.25Å; L545-L549 WeakPolarHBondContact O-CB 3.35Å; L545-L549 VanDerWaalsContact O-CG 3.25Å; L545-L549 WeakPolarHBondContact O-CG 3.24Å; L545-L549 PolarHBondContact O-N 3.36Å
546V87.4Confident79.8Confident109 Ų10952.5 Ų52.566%0.66132%0.316SS*.Hα-helixtrans-63.6-47-177.1178.60000110.5Q544 A548 L549 S550Q544-V546 PolarHBondContact O-N 3.43Å; V546-A548 PolarHBondContact O-N 3.21Å; V546-L549 PolarHBondContact O-N 3.04Å; V546-S550 PolarHBondContact O-N 3.1Å; V546-S550 VanDerWaalsContact O-N 3.13Å
547D86.4Confident77Confident114 Ų11454.7 Ų54.761%0.6133%0.331SS*.Hα-helixtrans-62.8-44.2178-60.2-24.8000110.8Q544 L549 S550 A551Q544-D547 PolarHBondContact O-N 3.14Å; D547-L549 PolarHBondContact O-N 3.05Å; D547-S550 PolarHBondContact O-N 3.05Å; D547-S550 VanDerWaalsContact O-N 3.17Å; D547-S550 PolarHBondContact O-OG 3.38Å; D547-A551 PolarHBondContact O-N 3.17Å
548A84.3Confident74.2Confident22 Ų2258 Ų5818%0.18235%0.353CS..Hα-helixtrans-66.8-36.5-17900000113.2L539 Q544 L545 V546 S550 A551 F554L539-A548 HydrophobicContact CD1-CB 3.59Å; L539-A548 HydrophobicContact CD2-CB 4.07Å; L539-A548 HydrophobicContact CG-CB 4.42Å; Q544-A548 VanDerWaalsContact O-CB 3.3Å; Q544-A548 WeakPolarHBondContact O-CB 3.4Å; Q544-A548 PolarHBondContact O-N 3.18Å; L545-A548 PolarHBondContact O-N 3.09Å; V546-A548 PolarHBondContact O-N 3.21Å; A548-S550 VanDerWaalsContact C-N 3.29Å; A548-A551 PolarHBondContact O-N 3.03Å; A548-F554 HydrophobicContact CB-CE2 4.09Å
549L81.3Confident71.3Confident38 Ų3861.6 Ų61.620%0.19938%0.375CS..Hα-helixtrans-74.3-19.4175.2-69176000113M457 R460 L461 L545 V546 D547M457-L549 HydrophobicContact CG-CD1 3.93Å; R460-L549 HydrophobicContact CB-CD2 3.77Å; L461-L549 HydrophobicContact CD2-CD2 3.97Å; L461-L549 HydrophobicContact CG-CD2 4.18Å; L545-L549 HydrophobicContact CD1-CD1 3.87Å; L545-L549 HydrophobicContact CD1-CD2 4.49Å; L545-L549 HydrophobicContact CD1-CG 3.97Å; L545-L549 HydrophobicContact CD2-CD1 4.4Å; L545-L549 HydrophobicContact CG-CD1 3.8Å; L545-L549 HydrophobicContact CG-CG 4.25Å; L545-L549 WeakPolarHBondContact O-CB 3.35Å; L545-L549 VanDerWaalsContact O-CG 3.25Å; L545-L549 WeakPolarHBondContact O-CG 3.24Å; L545-L549 PolarHBondContact O-N 3.36Å; V546-L549 PolarHBondContact O-N 3.04Å; D547-L549 PolarHBondContact O-N 3.05Å
550S76.6Confident68.1Low91 Ų9168.8 Ų68.864%0.63641%0.408SS*.Hα-helixtrans-80.3-20.4175.278.20000113V546 D547 A548 I552V546-S550 PolarHBondContact O-N 3.1Å; V546-S550 VanDerWaalsContact O-N 3.13Å; D547-S550 PolarHBondContact O-N 3.05Å; D547-S550 VanDerWaalsContact O-N 3.17Å; D547-S550 PolarHBondContact O-OG 3.38Å; A548-S550 VanDerWaalsContact C-N 3.29Å; S550-I552 PolarHBondContact O-N 3.03Å
551A70.3Confident65.1Low56 Ų5674.7 Ų74.746%0.46344%0.443SS..SBendtrans-69.9127174.900000110.6D547 A548 S553D547-A551 PolarHBondContact O-N 3.17Å; A548-A551 PolarHBondContact O-N 3.03Å; A551-S553 PolarHBondContact O-N 2.63Å
552I49.3Very low63.5Low182 Ų18278 Ų7893%0.93346%0.462SS*.SBendtrans-62.3-16.7-173.6-65169.5000113.1S550S550-I552 PolarHBondContact O-N 3.03Å
553S50.2Low61.8Low87 Ų8780.9 Ų80.961%0.60848%0.478SS*.  trans-135.5110.9177.659.80000110.6A551 P555A551-S553 PolarHBondContact O-N 2.63Å; S553-P555 VanDerWaalsContact O-CD 3.29Å; S553-P555 WeakPolarHBondContact O-CD 3.23Å
554F47.4Very low60Low38 Ų3880.2 Ų80.217%0.16747%0.468CS..  trans-79.7109.7164.1-147-92.2000107.8V535 L539 A548 F556V535-F554 HydrophobicContact CB-CE1 4.46Å; V535-F554 HydrophobicContact CB-CZ 4.5Å; V535-F554 HydrophobicContact CG1-CE1 3.73Å; V535-F554 HydrophobicContact CG1-CZ 3.48Å; V535-F554 VanDerWaalsContact CG1-CZ 3.48Å; L539-F554 HydrophobicContact CD1-CE2 3.78Å; L539-F554 HydrophobicContact CD1-CZ 3.64Å; A548-F554 HydrophobicContact CB-CE2 4.09Å; F554-F556 PolarHBondContact O-N 3.17Å
555P44.7Very low58.2Low97 Ų9781.8 Ų81.863%0.6348%0.481SS*.THydrogen-bonded Turntrans-80.611.6-15926.1-27.1000115.6S553S553-P555 VanDerWaalsContact O-CD 3.29Å; S553-P555 WeakPolarHBondContact O-CD 3.23Å
556F48.2Very low56.2Low73 Ų7386.6 Ų86.632%0.3251%0.509SS..THydrogen-bonded Turntrans-119.323.9-169.4-63.2-72.9000116T326 P530 F554 P558T326-F556 HydrophobicContact CG2-CD2 3.5Å; T326-F556 VanDerWaalsContact CG2-CD2 3.5Å; T326-F556 HydrophobicContact CG2-CE2 3.24Å; T326-F556 HydrophobicContact CG2-CG 4.27Å; T326-F556 HydrophobicContact CG2-CZ 3.84Å; P530-F556 HydrophobicContact CG-CB 4.41Å; P530-F556 HydrophobicContact CG-CG 4.48Å; F554-F556 PolarHBondContact O-N 3.17Å; F556-P558 WeakPolarHBondContact O-CD 3.47Å
557C38.5Very low54.1Low46 Ų4685.1 Ų85.131%0.31150%0.499SS..  trans-103.377.4170.5-137.10000113.2T559C557-T559 VanDerWaalsContact C-N 3.28Å; C557-T559 PolarHBondContact O-N 2.98Å
558P38Very low51.8Low70 Ų7083.1 Ų83.146%0.45549%0.491SS..  trans-73.789155.2-4.120.2000107.6R529 F556 H560R529-P558 HydrophobicContact CG-CG 4.23Å; F556-P558 WeakPolarHBondContact O-CD 3.47Å; P558-H560 PolarHBondContact O-N 3.19Å
559T36Very low49.3Very low75 Ų7587.8 Ų87.846%0.4652%0.515SS..  trans-76.68.216542.30000113.1I465 C557I465-T559 HydrophobicContact CD1-CG2 3.8Å; C557-T559 VanDerWaalsContact C-N 3.28Å; C557-T559 PolarHBondContact O-N 2.98Å
560H27Very low46.6Very low163 Ų16391.9 Ų91.976%0.75554%0.541SS*.  trans-129.698.7177.4-62-57.5000110.8P558P558-H560 PolarHBondContact O-N 3.19Å
561V33.5Very low43.9Very low125 Ų12592 Ų9276%0.75853%0.533SS*.  trans-126.60136.2174.20000106D135 G136D135-V561 WeakPolarHBondContact O-CG1 3.39Å; G136-V561 VanDerWaalsContact CA-CG1 3.48Å

Retrieved 561 of 561 residues in 334.6 ms (Link to these results)

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