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CTP synthase

Catalyzes the ATP-dependent amination of UTP to CTP with either L-glutamine or ammonia as the source of nitrogen. Constitutes the rate-limiting enzyme in the synthesis of cytosine nucleotides.

AlphaFold DB (Q9VUL1), UniProt , Accession X2JCY2, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ctps, Length 627 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
1M95.6Very high95.4Very high58 Ų5821 Ų2129%0.28611%0.11SC..  0132.60-17261.369.800107.4Y3 A129 Q130 K138 P139 Q140 C142M1-Y3 HydrophobicContact CB-CE2 3.96Å; M1-Y3 HydrophobicContact CG-CD2 4.31Å; M1-Y3 HydrophobicContact CG-CE1 3.86Å; M1-Y3 HydrophobicContact CG-CE2 3.62Å; M1-Y3 WeakPolarHBondContact CG-OH 3.48Å; M1-A129 VanDerWaalsContact CE-C 3.41Å; M1-A129 HydrophobicContact CE-CB 4Å; M1-A129 WeakPolarHBondContact CE-O 3.45Å; M1-A129 HydrophobicContact CG-CB 4.13Å; M1-A129 HydrophobicContact SD-CB 4.19Å; M1-Q130 HydrophobicContact CE-CG 4.27Å; M1-K138 HydrophobicContact CE-CG 4.43Å; M1-P139 HydrophobicContact CE-CB 4.32Å; M1-P139 WeakPolarHBondContact CE-O 3.43Å; M1-Q140 CarbonylContact C-O 3.52Å; M1-Q140 WeakPolarHBondContact CA-O 3.48Å; M1-C142 HydrophobicContact SD-CB 4.2Å
2K97.9Very high94.6Very high28 Ų2826 Ų2612%0.12215%0.148CC..EExtended strand (participates in β ladder)trans-110.9145.8171.8-52.9-63.6-175.5163.30108.5Q140 V141 C142 E172 N173 L269 L271K2-Q140 PolarHBondContact N-O 3.49Å; K2-V141 HydrophobicContact CB-CG1 4.44Å; K2-V141 HydrophobicContact CB-CG2 4.26Å; K2-V141 CarbonylContact O-C 3.59Å; K2-V141 WeakPolarHBondContact O-CA 3.2Å; K2-C142 PolarHBondContact O-N 2.66Å; K2-E172 WeakPolarHBondContact CD-O 3.35Å; K2-E172 PolarHBondContact NZ-O 3.1Å; K2-N173 CarbonylContact C-O 3.58Å; K2-N173 WeakPolarHBondContact CA-O 3.44Å; K2-N173 HydrophobicContact CD-CB 4.29Å; K2-N173 VanDerWaalsContact CD-OD1 3.32Å; K2-N173 WeakPolarHBondContact CD-OD1 3.21Å; K2-N173 WeakPolarHBondContact CE-OD1 3.38Å; K2-N173 PolarHBondContact NZ-OD1 3.41Å; K2-L269 HydrophobicContact CB-CD1 4.26Å; K2-L269 HydrophobicContact CB-CD2 4.4Å; K2-L269 HydrophobicContact CD-CB 4.35Å; K2-L269 WeakPolarHBondContact CE-O 3.31Å; K2-L269 HydrophobicContact CG-CB 4.4Å; K2-L269 PolarHBondContact NZ-O 2.94Å; K2-L271 HydrophobicContact CB-CD2 4.48Å; K2-L271 HydrophobicContact CG-CD2 3.7Å
3Y98.4Very high93.8Very high11 Ų1129.4 Ų29.44%0.04319%0.192CC..EExtended strand (participates in β ladder)trans-121.9128.7-177.3-61.2-89000109.7M1 V125 A129 C142 F165 V169 N173 F174 C175M1-Y3 HydrophobicContact CB-CE2 3.96Å; M1-Y3 HydrophobicContact CG-CD2 4.31Å; M1-Y3 HydrophobicContact CG-CE1 3.86Å; M1-Y3 HydrophobicContact CG-CE2 3.62Å; M1-Y3 WeakPolarHBondContact CG-OH 3.48Å; Y3-V125 HydrophobicContact CD1-CG1 4.06Å; Y3-V125 HydrophobicContact CE1-CG1 3.74Å; Y3-A129 HydrophobicContact CE1-CB 3.64Å; Y3-C142 WeakPolarHBondContact CA-O 3.43Å; Y3-C142 HydrophobicContact CD1-CB 3.83Å; Y3-C142 HydrophobicContact CE1-CB 4.07Å; Y3-F165 HydrophobicContact CD1-CE1 4.06Å; Y3-F165 HydrophobicContact CD1-CZ 4.29Å; Y3-F165 AromaticContact CD2-CE1 3.71Å; Y3-F165 HydrophobicContact CD2-CE1 3.71Å; Y3-F165 AromaticContact CD2-CZ 3.99Å; Y3-F165 HydrophobicContact CD2-CZ 3.99Å; Y3-F165 HydrophobicContact CE1-CE1 4.26Å; Y3-F165 HydrophobicContact CE1-CZ 4.02Å; Y3-F165 AromaticContact CE2-CE1 3.94Å; Y3-F165 HydrophobicContact CE2-CE1 3.94Å; Y3-F165 AromaticContact CE2-CZ 3.71Å; Y3-F165 HydrophobicContact CE2-CZ 3.71Å; Y3-F165 AromaticContact CG-CE1 3.78Å; Y3-F165 HydrophobicContact CG-CE1 3.78Å; Y3-F165 HydrophobicContact CG-CZ 4.27Å; Y3-F165 AromaticContact CZ-CZ 3.71Å; Y3-V169 HydrophobicContact CE2-CG1 4.32Å; Y3-N173 PolarHBondContact N-O 2.98Å; Y3-F174 WeakPolarHBondContact O-CA 3.34Å; Y3-C175 PolarHBondContact O-N 3.21Å
4I98.4Very high93.3Very high1 Ų127.8 Ų27.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-113.2104.1171.6-58.7179.8000107.1V6 L27 V141 C142 I143 V144 C175 L265 L269I4-V6 HydrophobicContact CG2-CG2 4.29Å; I4-L27 HydrophobicContact CD1-CD1 3.76Å; I4-V141 HydrophobicContact CD1-CG1 4.02Å; I4-V141 HydrophobicContact CG1-CG1 4.13Å; I4-C142 PolarHBondContact N-O 3.31Å; I4-I143 HydrophobicContact CB-CD1 3.85Å; I4-I143 HydrophobicContact CD1-CD1 3.77Å; I4-I143 HydrophobicContact CG1-CD1 4.15Å; I4-I143 HydrophobicContact CG2-CD1 4.46Å; I4-V144 PolarHBondContact O-N 3.32Å; I4-C175 CarbonylContact C-O 3.42Å; I4-C175 WeakPolarHBondContact CA-O 3.46Å; I4-C175 HydrophobicContact CG1-CB 4.37Å; I4-L265 HydrophobicContact CD1-CD1 4.02Å; I4-L265 HydrophobicContact CD1-CD2 4.05Å; I4-L269 HydrophobicContact CD1-CD1 4.07Å; I4-L269 HydrophobicContact CG1-CD1 3.93Å
5L98.4Very high93.1Very high1 Ų127.1 Ų27.11%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-84.3125.7174.2-179.663.9000109.3T7 V144 L146 F162 F174 C175 L176 A177 L208L5-T7 HydrophobicContact CD2-CG2 4.11Å; L5-T7 HydrophobicContact CG-CG2 3.99Å; L5-V144 CarbonylContact C-O 3.37Å; L5-V144 WeakPolarHBondContact CA-O 3.45Å; L5-V144 HydrophobicContact CD1-CB 4.03Å; L5-V144 HydrophobicContact CD1-CG1 3.84Å; L5-L146 HydrophobicContact CD1-CB 4.27Å; L5-F162 HydrophobicContact CD1-CD2 3.94Å; L5-F162 HydrophobicContact CD1-CE1 4.45Å; L5-F162 HydrophobicContact CD1-CE2 3.86Å; L5-F162 HydrophobicContact CD1-CG 4.3Å; L5-F162 HydrophobicContact CD1-CZ 4.15Å; L5-F162 HydrophobicContact CD2-CB 3.72Å; L5-F162 HydrophobicContact CD2-CD1 4.19Å; L5-F162 HydrophobicContact CD2-CD2 3.8Å; L5-F162 HydrophobicContact CD2-CG 3.62Å; L5-F174 HydrophobicContact CB-CE2 4.05Å; L5-F174 HydrophobicContact CB-CZ 3.76Å; L5-F174 HydrophobicContact CD2-CE2 4.43Å; L5-F174 HydrophobicContact CD2-CZ 3.74Å; L5-F174 HydrophobicContact CG-CZ 4.4Å; L5-C175 PolarHBondContact N-O 3.38Å; L5-L176 HydrophobicContact CB-CD1 4Å; L5-L176 HydrophobicContact CD2-CD1 3.9Å; L5-L176 HydrophobicContact CG-CD1 3.86Å; L5-L176 CarbonylContact O-C 3.56Å; L5-L176 WeakPolarHBondContact O-CA 3.43Å; L5-L176 WeakPolarHBondContact O-CD1 3.43Å; L5-A177 PolarHBondContact O-N 3.41Å; L5-L208 HydrophobicContact CD2-CD1 4.18Å
6V98.1Very high93Very high0 Ų026.2 Ų26.20%017%0.174CC..EExtended strand (participates in β ladder)trans-110.9120175.9-1740000108.7I4 A20 F23 I143 V144 L146 A177 V179I4-V6 HydrophobicContact CG2-CG2 4.29Å; V6-A20 HydrophobicContact CB-CB 4.24Å; V6-A20 HydrophobicContact CG1-CB 4.35Å; V6-A20 HydrophobicContact CG2-CB 3.91Å; V6-F23 HydrophobicContact CG2-CD2 4.32Å; V6-F23 HydrophobicContact CG2-CE2 4.45Å; V6-I143 HydrophobicContact CG2-CG2 4.33Å; V6-V144 PolarHBondContact N-O 3.24Å; V6-L146 PolarHBondContact O-N 3Å; V6-A177 VanDerWaalsContact CA-O 3.31Å; V6-A177 WeakPolarHBondContact CA-O 3.49Å; V6-A177 HydrophobicContact CG2-CB 4.41Å; V6-V179 HydrophobicContact CG1-CG2 3.68Å
7T97.5Very high93Very high0 Ų024.9 Ų24.90%017%0.166CC..EExtended strand (participates in β ladder)trans-116.1152.1-179.161.10000112L5 L146 I150 L176 A177 H178 V179L5-T7 HydrophobicContact CD2-CG2 4.11Å; L5-T7 HydrophobicContact CG-CG2 3.99Å; T7-L146 HydrophobicContact CG2-CB 4.28Å; T7-L146 HydrophobicContact CG2-CD2 4.18Å; T7-I150 HydrophobicContact CG2-CD1 4.34Å; T7-L176 HydrophobicContact CG2-CD1 3.77Å; T7-A177 PolarHBondContact N-O 3.4Å; T7-H178 PolarHBondContact OG1-ND1 2.92Å; T7-V179 PolarHBondContact O-N 3.05Å
8G93.6Very high93Very high2 Ų224.7 Ų24.72%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-84.7144.9172.400000113.2I150 H178G8-I150 WeakPolarHBondContact O-CB 3.22Å; G8-I150 WeakPolarHBondContact O-CG1 3.43Å; G8-I150 PolarHBondContact O-N 3.37Å; G8-H178 PolarHBondContact O-CE1 3.48Å; G8-H178 VanDerWaalsContact O-CE1 3.31Å
9G88.7Confident93.1Very high3 Ų323.5 Ų23.53%0.03116%0.156CC..  trans-96.8-102.9173.100000111.9H178 V179G9-H178 VanDerWaalsContact CA-CE1 3.43Å; G9-H178 WeakPolarHBondContact CA-CE1 3.34Å; G9-V179 WeakPolarHBondContact CA-O 3.32Å; G9-V179 PolarHBondContact N-O 3.29Å
10V90.7Very high93.3Very high54 Ų5422.4 Ų22.433%0.32715%0.148SC..SBendtrans-80.8-37.6-159.8-175.60000114L181 P195V10-L181 HydrophobicContact CB-CB 4.2Å; V10-L181 HydrophobicContact CG2-CB 4.44Å; V10-P195 HydrophobicContact CB-CB 4.32Å; V10-P195 HydrophobicContact CG1-CB 3.8Å; V10-P195 HydrophobicContact CG2-CB 3.49Å; V10-P195 VanDerWaalsContact CG2-CB 3.49Å
11I92.1Very high93.4Very high73 Ų7321.3 Ų21.337%0.37414%0.141SC..  trans-135.7151.5-176.162.5164.4000110.5V14 L181I11-V14 HydrophobicContact CG1-CB 4.11Å; I11-L181 HydrophobicContact CD1-CD2 3.84Å; I11-L181 HydrophobicContact CG1-CB 4.43Å; I11-L181 HydrophobicContact CG1-CD2 4.13Å; I11-L181 HydrophobicContact CG2-CD2 4.37Å
12S86.2Confident93.4Very high81 Ų8118.5 Ų18.557%0.56613%0.127SC*.THydrogen-bonded Turntrans-68.8157.9161-165.50000110V14S12-V14 VanDerWaalsContact C-N 3.29Å; S12-V14 PolarHBondContact O-N 3.31Å
13G83.6Confident93.3Very high70 Ų7017.2 Ų17.272%0.72212%0.122SC*.THydrogen-bonded Turntrans73.57.3179.800000116.3G15G13-G15 PolarHBondContact O-N 3.34Å
14V87.6Confident93.2Very high7 Ų716.7 Ų16.74%0.04212%0.12CC..SBendtrans-60.7-10.8177.371.80000114.4I11 S12 K16 V179 L181 R216I11-V14 HydrophobicContact CG1-CB 4.11Å; S12-V14 VanDerWaalsContact C-N 3.29Å; S12-V14 PolarHBondContact O-N 3.31Å; V14-K16 HydrophobicContact CG1-CG 3.84Å; V14-V179 HydrophobicContact CG1-CB 4.34Å; V14-V179 HydrophobicContact CG1-CG1 3.76Å; V14-V179 HydrophobicContact CG2-CG1 4.27Å; V14-L181 HydrophobicContact CG2-CB 4.29Å; V14-R216 HydrophobicContact CG2-CB 3.62Å; V14-R216 HydrophobicContact CG2-CG 4.02Å
15G89Confident92.9Very high17 Ų1716.9 Ų16.918%0.17512%0.121CC..SBendtrans102.426.5-178.500000114.6G13 G17 V18 I19G13-G15 PolarHBondContact O-N 3.34Å; G15-G17 PolarHBondContact O-N 3.22Å; G15-V18 PolarHBondContact O-N 3.01Å; G15-I19 WeakPolarHBondContact O-CG1 3.45Å; G15-I19 PolarHBondContact O-N 3.4Å
16K92.5Very high92.7Very high13 Ų1316.9 Ų16.96%0.05712%0.121CC..Hα-helixtrans-49.1-51.3179.1-64.4-168.1-59.5-84.40112.8V14 V18 I19 A20 E145 L146 G148V14-K16 HydrophobicContact CG1-CG 3.84Å; K16-V18 VanDerWaalsContact C-N 3.28Å; K16-V18 PolarHBondContact O-N 3.22Å; K16-I19 PolarHBondContact O-N 3.04Å; K16-I19 VanDerWaalsContact O-N 3.11Å; K16-A20 WeakPolarHBondContact O-CB 3.41Å; K16-A20 PolarHBondContact O-N 3.17Å; K16-E145 HydrophobicContact CB-CG 4.27Å; K16-E145 WeakPolarHBondContact CB-OE1 3.48Å; K16-E145 VanDerWaalsContact CE-OE1 3.31Å; K16-E145 WeakPolarHBondContact CE-OE1 3.48Å; K16-L146 WeakPolarHBondContact CE-O 3.37Å; K16-G148 PolarHBondContact NZ-O 3.35Å
17G92.4Very high92.5Very high4 Ų416.9 Ų16.94%0.04112%0.121CC..Hα-helixtrans-58.3-35.5178.400000113.9G15 S21G15-G17 PolarHBondContact O-N 3.22Å; G17-S21 WeakPolarHBondContact O-CB 3.29Å; G17-S21 PolarHBondContact O-N 3.37Å; G17-S21 PolarHBondContact O-OG 2.64Å
18V93.2Very high92.3Very high22 Ų2219.6 Ų19.613%0.13313%0.133CC..Hα-helixtrans-70.5-42.5176-177.60000110.9G15 K16 S22 I249 V252G15-V18 PolarHBondContact O-N 3.01Å; K16-V18 VanDerWaalsContact C-N 3.28Å; K16-V18 PolarHBondContact O-N 3.22Å; V18-S22 VanDerWaalsContact O-CB 3.31Å; V18-S22 WeakPolarHBondContact O-CB 3.3Å; V18-S22 PolarHBondContact O-N 3.37Å; V18-S22 PolarHBondContact O-OG 2.92Å; V18-I249 HydrophobicContact CG1-CB 4.3Å; V18-I249 HydrophobicContact CG2-CG2 4.39Å; V18-V252 HydrophobicContact CG1-CB 4.06Å; V18-V252 HydrophobicContact CG1-CG1 4.18Å; V18-V252 HydrophobicContact CG1-CG2 3.8Å
19I95.5Very high92.1Very high2 Ų219.6 Ų19.61%0.0113%0.133CC..Hα-helixtrans-63.2-51.2177-60.7-42.4000110.6G15 K16 S21 S22 F23 V179 V214 I243 V252 M256G15-I19 WeakPolarHBondContact O-CG1 3.45Å; G15-I19 PolarHBondContact O-N 3.4Å; K16-I19 PolarHBondContact O-N 3.04Å; K16-I19 VanDerWaalsContact O-N 3.11Å; I19-S21 PolarHBondContact O-N 2.82Å; I19-S22 WeakPolarHBondContact O-CB 3.46Å; I19-S22 PolarHBondContact O-N 3.31Å; I19-S22 VanDerWaalsContact O-N 3.12Å; I19-F23 HydrophobicContact CG2-CD2 4.11Å; I19-F23 HydrophobicContact CG2-CE2 3.59Å; I19-F23 HydrophobicContact CG2-CZ 4.46Å; I19-F23 VanDerWaalsContact O-CD2 3.27Å; I19-F23 WeakPolarHBondContact O-CD2 3.47Å; I19-F23 PolarHBondContact O-N 3.35Å; I19-F23 VanDerWaalsContact O-N 3.07Å; I19-V179 HydrophobicContact CB-CG2 4.21Å; I19-V179 HydrophobicContact CG1-CG1 4.15Å; I19-V179 HydrophobicContact CG1-CG2 4.26Å; I19-V179 HydrophobicContact CG2-CG2 3.88Å; I19-V214 HydrophobicContact CD1-CG1 4.17Å; I19-V214 HydrophobicContact CG1-CG1 4.21Å; I19-V214 HydrophobicContact CG2-CG1 4.18Å; I19-V214 HydrophobicContact CG2-CG2 4.21Å; I19-I243 HydrophobicContact CD1-CD1 3.31Å; I19-I243 HydrophobicContact CD1-CG2 4.45Å; I19-V252 HydrophobicContact CD1-CG1 3.95Å; I19-M256 HydrophobicContact CB-CE 4.06Å; I19-M256 HydrophobicContact CD1-CE 3.67Å; I19-M256 HydrophobicContact CG1-CE 4.39Å; I19-M256 HydrophobicContact CG2-CE 3.59Å
20A96.5Very high92.2Very high0 Ų019.6 Ų19.60%013%0.132CC..Hα-helixtrans-60.7-44.3178.800000112V6 K16 S22 F23 G24 Y74 I143 E145V6-A20 HydrophobicContact CB-CB 4.24Å; V6-A20 HydrophobicContact CG1-CB 4.35Å; V6-A20 HydrophobicContact CG2-CB 3.91Å; K16-A20 WeakPolarHBondContact O-CB 3.41Å; K16-A20 PolarHBondContact O-N 3.17Å; A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.38Å; A20-F23 PolarHBondContact O-N 2.69Å; A20-G24 PolarHBondContact O-N 3.32Å; A20-Y74 HydrophobicContact CB-CE1 3.71Å; A20-Y74 WeakPolarHBondContact CB-OH 3.36Å; A20-I143 HydrophobicContact CB-CG2 3.87Å; A20-E145 HydrophobicContact CB-CB 4.45Å
21S95.3Very high92.2Very high0 Ų018.9 Ų18.90%014%0.135CC..Hα-helixtrans-62.9-33.9174.6-64.30000112.7G17 I19 G24 T25 Y74G17-S21 WeakPolarHBondContact O-CB 3.29Å; G17-S21 PolarHBondContact O-N 3.37Å; G17-S21 PolarHBondContact O-OG 2.64Å; I19-S21 PolarHBondContact O-N 2.82Å; S21-G24 PolarHBondContact O-N 3.26Å; S21-T25 WeakPolarHBondContact O-CB 3.44Å; S21-T25 PolarHBondContact O-N 3.16Å; S21-T25 PolarHBondContact O-OG1 3.2Å; S21-Y74 WeakPolarHBondContact OG-CD1 3.39Å
22S95.5Very high92.2Very high0 Ų015.6 Ų15.60%012%0.118CC..Hα-helixtrans-69.9-40.1178.6-61.50000112.2V18 I19 A20 G24 T25 L26 V252 M256V18-S22 VanDerWaalsContact O-CB 3.31Å; V18-S22 WeakPolarHBondContact O-CB 3.3Å; V18-S22 PolarHBondContact O-N 3.37Å; V18-S22 PolarHBondContact O-OG 2.92Å; I19-S22 WeakPolarHBondContact O-CB 3.46Å; I19-S22 PolarHBondContact O-N 3.31Å; I19-S22 VanDerWaalsContact O-N 3.12Å; A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.38Å; S22-G24 VanDerWaalsContact C-N 3.32Å; S22-G24 PolarHBondContact O-N 3.15Å; S22-T25 PolarHBondContact O-N 2.82Å; S22-L26 WeakPolarHBondContact O-CG 3.37Å; S22-L26 PolarHBondContact O-N 2.79Å; S22-V252 VanDerWaalsContact OG-CG1 3.28Å; S22-V252 WeakPolarHBondContact OG-CG1 3.41Å; S22-M256 WeakPolarHBondContact CB-SD 3.42Å
23F96.5Very high92.5Very high0 Ų013.8 Ų13.80%010%0.102CC..Hα-helixtrans-57-47169.3-73.1-64.4000111.3V6 I19 A20 T25 L26 L27 I143 A177 L212 V214 V261 L265V6-F23 HydrophobicContact CG2-CD2 4.32Å; V6-F23 HydrophobicContact CG2-CE2 4.45Å; I19-F23 HydrophobicContact CG2-CD2 4.11Å; I19-F23 HydrophobicContact CG2-CE2 3.59Å; I19-F23 HydrophobicContact CG2-CZ 4.46Å; I19-F23 VanDerWaalsContact O-CD2 3.27Å; I19-F23 WeakPolarHBondContact O-CD2 3.47Å; I19-F23 PolarHBondContact O-N 3.35Å; I19-F23 VanDerWaalsContact O-N 3.07Å; A20-F23 PolarHBondContact O-N 2.69Å; F23-T25 PolarHBondContact O-N 3.21Å; F23-L26 PolarHBondContact O-N 3.21Å; F23-L27 WeakPolarHBondContact O-CG 3.34Å; F23-L27 PolarHBondContact O-N 3.12Å; F23-L27 VanDerWaalsContact O-N 3.08Å; F23-I143 HydrophobicContact CB-CD1 4.2Å; F23-A177 HydrophobicContact CE2-CB 3.77Å; F23-A177 HydrophobicContact CZ-CB 3.88Å; F23-L212 HydrophobicContact CE1-CD1 3.82Å; F23-L212 HydrophobicContact CZ-CD1 3.89Å; F23-V214 HydrophobicContact CZ-CG2 4.39Å; F23-V261 HydrophobicContact CD1-CG1 3.82Å; F23-V261 HydrophobicContact CE1-CG1 3.46Å; F23-V261 VanDerWaalsContact CE1-CG1 3.46Å; F23-L265 HydrophobicContact CD1-CD1 3.87Å; F23-L265 HydrophobicContact CE1-CD1 4.28Å
24G95.1Very high93Very high0 Ų010.5 Ų10.50%07%0.068CC..Hα-helixtrans-61-42.6177.500000113.1A20 S21 S22 L27 K28A20-G24 PolarHBondContact O-N 3.32Å; S21-G24 PolarHBondContact O-N 3.26Å; S22-G24 VanDerWaalsContact C-N 3.32Å; S22-G24 PolarHBondContact O-N 3.15Å; G24-L27 PolarHBondContact O-N 3.11Å; G24-K28 VanDerWaalsContact O-CB 3.31Å; G24-K28 WeakPolarHBondContact O-CB 3.37Å; G24-K28 PolarHBondContact O-N 3.41Å
25T93.7Very high93.5Very high5 Ų510.2 Ų10.23%0.0317%0.066CC..Hα-helixtrans-62.3-45177.8-57.20000111.7S21 S22 F23 K28 S29 P253 W285S21-T25 WeakPolarHBondContact O-CB 3.44Å; S21-T25 PolarHBondContact O-N 3.16Å; S21-T25 PolarHBondContact O-OG1 3.2Å; S22-T25 PolarHBondContact O-N 2.82Å; F23-T25 PolarHBondContact O-N 3.21Å; T25-K28 PolarHBondContact O-N 3.11Å; T25-S29 WeakPolarHBondContact O-CB 3.46Å; T25-S29 PolarHBondContact O-N 3.32Å; T25-P253 HydrophobicContact CG2-CB 4.38Å; T25-P253 HydrophobicContact CG2-CG 4.36Å; T25-W285 HydrophobicContact CG2-CD2 4.11Å; T25-W285 HydrophobicContact CG2-CH2 4.24Å; T25-W285 HydrophobicContact CG2-CZ2 3.46Å; T25-W285 VanDerWaalsContact CG2-CZ2 3.46Å
26L94.1Very high93.8Very high2 Ų29.4 Ų9.41%0.016%0.058CC..Hα-helixtrans-62.8-46178.3-72170.5000111.6S22 F23 S29 C30 P253 M256 E257 I262 L282S22-L26 WeakPolarHBondContact O-CG 3.37Å; S22-L26 PolarHBondContact O-N 2.79Å; F23-L26 PolarHBondContact O-N 3.21Å; L26-S29 WeakPolarHBondContact O-CB 3.47Å; L26-S29 PolarHBondContact O-N 3.15Å; L26-S29 PolarHBondContact O-OG 3.09Å; L26-C30 PolarHBondContact O-N 3.27Å; L26-C30 PolarHBondContact O-SG 3.19Å; L26-P253 HydrophobicContact CD2-CB 4.48Å; L26-P253 WeakPolarHBondContact CD2-O 3.45Å; L26-P253 HydrophobicContact CG-CB 4.5Å; L26-M256 HydrophobicContact CD1-CB 3.63Å; L26-M256 HydrophobicContact CD1-SD 4.28Å; L26-E257 HydrophobicContact CD2-CB 3.99Å; L26-I262 HydrophobicContact CB-CD1 4.41Å; L26-I262 HydrophobicContact CB-CG1 4.21Å; L26-I262 HydrophobicContact CD1-CG1 4.48Å; L26-I262 HydrophobicContact CD2-CD1 3.97Å; L26-I262 HydrophobicContact CD2-CG1 4.36Å; L26-L282 HydrophobicContact CD2-CD1 4.26Å; L26-L282 HydrophobicContact CD2-CD2 4.16Å
27L94.1Very high94.1Very high0 Ų08.8 Ų8.80%06%0.056CC..Hα-helixtrans-69-36179.3-64.6174.5000112.2I4 F23 G24 S29 C30 G31 L32 V34 V141 I143 L265 L271 I273I4-L27 HydrophobicContact CD1-CD1 3.76Å; F23-L27 WeakPolarHBondContact O-CG 3.34Å; F23-L27 PolarHBondContact O-N 3.12Å; F23-L27 VanDerWaalsContact O-N 3.08Å; G24-L27 PolarHBondContact O-N 3.11Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.13Å; L27-C30 VanDerWaalsContact O-CB 3.31Å; L27-C30 WeakPolarHBondContact O-CB 3.3Å; L27-C30 PolarHBondContact O-N 3.15Å; L27-C30 VanDerWaalsContact O-N 3.14Å; L27-G31 PolarHBondContact O-N 2.86Å; L27-L32 HydrophobicContact CB-CD1 4.38Å; L27-L32 HydrophobicContact CD2-CD1 4.12Å; L27-L32 WeakPolarHBondContact O-CB 3.32Å; L27-L32 PolarHBondContact O-N 3.49Å; L27-L32 VanDerWaalsContact O-N 3.17Å; L27-V34 HydrophobicContact CB-CG2 3.85Å; L27-V141 HydrophobicContact CD1-CB 4.25Å; L27-V141 HydrophobicContact CD1-CG1 3.82Å; L27-V141 HydrophobicContact CD1-CG2 4.23Å; L27-I143 HydrophobicContact CD1-CD1 4.46Å; L27-L265 HydrophobicContact CD1-CD1 4.42Å; L27-L265 HydrophobicContact CD2-CD1 4.25Å; L27-L271 HydrophobicContact CD2-CD1 4.03Å; L27-I273 HydrophobicContact CD2-CD1 4.37Å
28K92Very high94.3Very high57 Ų578.8 Ų8.825%0.2486%0.055CC..Hα-helixtrans-64.5-37.8172.3-167.365.8170.9-1710111.4G24 T25 C30 G31 L32 D33G24-K28 VanDerWaalsContact O-CB 3.31Å; G24-K28 WeakPolarHBondContact O-CB 3.37Å; G24-K28 PolarHBondContact O-N 3.41Å; T25-K28 PolarHBondContact O-N 3.11Å; K28-C30 PolarHBondContact O-N 2.94Å; K28-G31 PolarHBondContact O-N 3.2Å; K28-L32 WeakPolarHBondContact CA-O 3.48Å; K28-L32 VanDerWaalsContact CD-O 3.26Å; K28-L32 WeakPolarHBondContact CD-O 3.37Å; K28-D33 IonicContact NZ-OD1 3.72Å; K28-D33 PolarHBondContact NZ-OD1 3.03Å
29S90.3Very high94.5Very high2 Ų27.8 Ų7.81%0.0145%0.048CC..Hα-helixtrans-64-24.2174.484.10000113.5T25 L26 L27 G31 K277 R278 C281T25-S29 WeakPolarHBondContact O-CB 3.46Å; T25-S29 PolarHBondContact O-N 3.32Å; L26-S29 WeakPolarHBondContact O-CB 3.47Å; L26-S29 PolarHBondContact O-N 3.15Å; L26-S29 PolarHBondContact O-OG 3.09Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.13Å; S29-G31 VanDerWaalsContact C-N 3.27Å; S29-K277 CarbonylContact O-C 3.55Å; S29-R278 PolarHBondContact O-N 3.41Å; S29-C281 VanDerWaalsContact CA-SG 3.58Å; S29-C281 WeakPolarHBondContact CB-SG 3.38Å
30C91.3Very high94.5Very high3 Ų37.8 Ų7.82%0.025%0.048CC..THydrogen-bonded Turntrans-83.41173.5-67.10000113.4L26 L27 K28 I273L26-C30 PolarHBondContact O-N 3.27Å; L26-C30 PolarHBondContact O-SG 3.19Å; L27-C30 VanDerWaalsContact O-CB 3.31Å; L27-C30 WeakPolarHBondContact O-CB 3.3Å; L27-C30 PolarHBondContact O-N 3.15Å; L27-C30 VanDerWaalsContact O-N 3.14Å; K28-C30 PolarHBondContact O-N 2.94Å; C30-I273 HydrophobicContact CB-CG1 4.36Å; C30-I273 HydrophobicContact CB-CG2 3.66Å
31G89.3Confident94.5Very high38 Ų388.5 Ų8.539%0.3925%0.053SC..THydrogen-bonded Turntrans82.817179.500000114.9L27 K28 S29L27-G31 PolarHBondContact O-N 2.86Å; K28-G31 PolarHBondContact O-N 3.2Å; S29-G31 VanDerWaalsContact C-N 3.27Å
32L92Very high94.4Very high4 Ų49.7 Ų9.72%0.0216%0.058CC..  trans-91.8139.3174.6-59.7175.8000110.8L27 K28 V34 V141 L271 I273L27-L32 HydrophobicContact CB-CD1 4.38Å; L27-L32 HydrophobicContact CD2-CD1 4.12Å; L27-L32 WeakPolarHBondContact O-CB 3.32Å; L27-L32 PolarHBondContact O-N 3.49Å; L27-L32 VanDerWaalsContact O-N 3.17Å; K28-L32 WeakPolarHBondContact CA-O 3.48Å; K28-L32 VanDerWaalsContact CD-O 3.26Å; K28-L32 WeakPolarHBondContact CD-O 3.37Å; L32-V34 PolarHBondContact O-N 3Å; L32-V141 HydrophobicContact CD1-CG2 4.25Å; L32-L271 HydrophobicContact CD1-CD1 4.05Å; L32-L271 HydrophobicContact CD1-CD2 4.22Å; L32-I273 HydrophobicContact CD1-CG1 4.07Å
33D93Very high94.4Very high43 Ų4315.3 Ų15.323%0.239%0.086CC..  trans-78124.4171-74.8-27.9000110.6K28 S137 Q140 V141K28-D33 IonicContact NZ-OD1 3.72Å; K28-D33 PolarHBondContact NZ-OD1 3.03Å; D33-S137 WeakPolarHBondContact OD2-CB 3.44Å; D33-S137 PolarHBondContact OD2-OG 3.17Å; D33-Q140 PolarHBondContact O-N 3.43Å; D33-V141 PolarHBondContact O-N 3.24Å
34V95.1Very high94.4Very high2 Ų218.4 Ų18.41%0.01210%0.103CC..EExtended strand (participates in β ladder)trans-119138-174.4-1760000110L27 L32 L78 V141 I143L27-V34 HydrophobicContact CB-CG2 3.85Å; L32-V34 PolarHBondContact O-N 3Å; V34-L78 HydrophobicContact CB-CD2 4.06Å; V34-L78 HydrophobicContact CG1-CD2 3.66Å; V34-V141 WeakPolarHBondContact CA-O 3.49Å; V34-I143 HydrophobicContact CG1-CD1 4.37Å; V34-I143 HydrophobicContact CG1-CG1 3.72Å
35T96.6Very high94.4Very high0 Ų022.3 Ų22.30%012%0.123CC..EExtended strand (participates in β ladder)trans-118.8162.3168.4-174.10000110.4V133 P139 V141 C142 I143T35-V133 VanDerWaalsContact OG1-CG1 3.24Å; T35-V133 WeakPolarHBondContact OG1-CG1 3.43Å; T35-P139 HydrophobicContact CG2-CB 3.84Å; T35-P139 HydrophobicContact CG2-CG 3.98Å; T35-V141 PolarHBondContact N-O 2.9Å; T35-C142 HydrophobicContact CG2-CB 3.71Å; T35-C142 WeakPolarHBondContact O-CA 3.48Å; T35-I143 PolarHBondContact O-N 3.09Å
36S97Very high94.3Very high1 Ų125 Ų251%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-125.9142.2177.4-170.60000111.3Y74 N86 I143S36-Y74 WeakPolarHBondContact OG-CD1 3.36Å; S36-Y74 VanDerWaalsContact OG-CE1 3.24Å; S36-Y74 WeakPolarHBondContact OG-CE1 3.48Å; S36-Y74 VanDerWaalsContact OG-CG 3.31Å; S36-N86 WeakPolarHBondContact O-CB 3.42Å; S36-N86 PolarHBondContact O-ND2 3.41Å; S36-I143 CarbonylContact C-O 3.51Å; S36-I143 VanDerWaalsContact CA-O 3.28Å; S36-I143 WeakPolarHBondContact CA-O 3.43Å
37I97.7Very high94.2Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-128.4124.9169.7-61.5176.9000107.6I39 N86 I88 V125 V128 I143 V144 E145I37-I39 HydrophobicContact CG2-CG1 4.4Å; I37-N86 CarbonylContact C-O 3.42Å; I37-N86 VanDerWaalsContact CA-O 3.31Å; I37-N86 WeakPolarHBondContact CA-O 3.29Å; I37-I88 HydrophobicContact CG2-CD1 3.66Å; I37-I88 HydrophobicContact CG2-CG1 4.08Å; I37-V125 HydrophobicContact CD1-CG1 4.28Å; I37-V128 HydrophobicContact CD1-CB 3.91Å; I37-V128 HydrophobicContact CD1-CG1 3.88Å; I37-V128 HydrophobicContact CG1-CG1 3.96Å; I37-I143 PolarHBondContact N-O 3.37Å; I37-V144 HydrophobicContact CB-CG2 4.4Å; I37-V144 CarbonylContact O-C 3.53Å; I37-V144 VanDerWaalsContact O-CA 3.3Å; I37-V144 WeakPolarHBondContact O-CA 3.49Å; I37-E145 PolarHBondContact O-N 3.49Å
38K97.2Very high94.1Very high4 Ų425.5 Ų25.52%0.01714%0.142CC..EExtended strand (participates in β ladder)trans-104.9127.5173.4176.861.6146.853.20108.8D40 D68 D70 L71 N86 I88 E145K38-D40 IonicContact NZ-OD1 3.51Å; K38-D40 PolarHBondContact NZ-OD1 3.19Å; K38-D68 IonicContact NZ-OD2 3.3Å; K38-D68 PolarHBondContact NZ-OD2 3.05Å; K38-D70 VanDerWaalsContact CE-OD2 3.24Å; K38-D70 WeakPolarHBondContact CE-OD2 3Å; K38-D70 IonicContact NZ-OD2 2.76Å; K38-D70 PolarHBondContact NZ-OD2 3.09Å; K38-L71 HydrophobicContact CB-CD1 3.49Å; K38-L71 VanDerWaalsContact CB-CD1 3.49Å; K38-L71 HydrophobicContact CB-CG 4.28Å; K38-L71 HydrophobicContact CG-CD1 3.71Å; K38-N86 PolarHBondContact N-O 3.02Å; K38-I88 PolarHBondContact O-N 3.03Å; K38-E145 HydrophobicContact CD-CB 3.92Å; K38-E145 HydrophobicContact CD-CG 3.9Å; K38-E145 VanDerWaalsContact CD-OE2 3.3Å; K38-E145 WeakPolarHBondContact CD-OE2 3.43Å; K38-E145 WeakPolarHBondContact CE-OE1 3.41Å; K38-E145 WeakPolarHBondContact CE-OE2 3Å
39I97.6Very high94Very high0 Ų027.9 Ų27.90%016%0.162CC..EExtended strand (participates in β ladder)trans-105.2124.3174.6-64.5171000108.2I37 I88 V144 E145 L146 G147 F158 F162I37-I39 HydrophobicContact CG2-CG1 4.4Å; I39-I88 CarbonylContact C-O 3.58Å; I39-I88 VanDerWaalsContact CA-O 3.32Å; I39-I88 WeakPolarHBondContact CA-O 3.49Å; I39-I88 HydrophobicContact CG1-CB 4.12Å; I39-I88 HydrophobicContact CG1-CD1 4.24Å; I39-V144 HydrophobicContact CD1-CG1 3.76Å; I39-V144 HydrophobicContact CG1-CG1 4.37Å; I39-E145 PolarHBondContact N-O 3.46Å; I39-L146 HydrophobicContact CB-CD1 4Å; I39-L146 HydrophobicContact CG2-CD1 3.59Å; I39-G147 WeakPolarHBondContact O-CA 3.47Å; I39-G147 PolarHBondContact O-N 2.98Å; I39-F158 HydrophobicContact CG2-CB 4.45Å; I39-F158 HydrophobicContact CG2-CD1 3.37Å; I39-F158 HydrophobicContact CG2-CD2 4Å; I39-F158 HydrophobicContact CG2-CE1 3.41Å; I39-F158 VanDerWaalsContact CG2-CE1 3.41Å; I39-F158 HydrophobicContact CG2-CE2 4.04Å; I39-F158 HydrophobicContact CG2-CG 3.67Å; I39-F158 HydrophobicContact CG2-CZ 3.74Å; I39-F162 HydrophobicContact CD1-CE2 3.35Å; I39-F162 HydrophobicContact CD1-CZ 3.43Å; I39-F162 VanDerWaalsContact CD1-CZ 3.43Å
40D95.6Very high93.9Very high3 Ų329.3 Ų29.32%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-112119.3-179.8-68.1-38.8000110.5K38 Y42 N87 I88 T89 T90K38-D40 IonicContact NZ-OD1 3.51Å; K38-D40 PolarHBondContact NZ-OD1 3.19Å; D40-Y42 HydrophobicContact CB-CD1 3.69Å; D40-Y42 HydrophobicContact CB-CE1 3.32Å; D40-Y42 HydrophobicContact CB-CE2 4.28Å; D40-Y42 HydrophobicContact CB-CG 4.31Å; D40-Y42 PolarHBondContact O-N 3.01Å; D40-Y42 PolarHBondContact OD2-OH 2.91Å; D40-N87 PolarHBondContact OD2-ND2 3.18Å; D40-I88 PolarHBondContact N-O 3.09Å; D40-T89 HydrophobicContact CB-CG2 4.2Å; D40-T89 WeakPolarHBondContact O-CA 3.45Å; D40-T90 PolarHBondContact O-N 3.04Å
41P95.1Very high93.6Very high14 Ų1431.6 Ų31.69%0.09118%0.184CC..  trans-73.3-14.2-17628-33.6000113.7T90 E154 F158P41-T90 PolarHBondContact O-OG1 2.85Å; P41-E154 HydrophobicContact CB-CB 3.72Å; P41-F158 HydrophobicContact CB-CE2 4.36Å
42Y94.1Very high93.3Very high26 Ų2631 Ų3110%0.10217%0.173CC..SBendtrans-62.9154.8178.263.3-112.9000112.6D40 N44 F50 T89 T90D40-Y42 HydrophobicContact CB-CD1 3.69Å; D40-Y42 HydrophobicContact CB-CE1 3.32Å; D40-Y42 HydrophobicContact CB-CE2 4.28Å; D40-Y42 HydrophobicContact CB-CG 4.31Å; D40-Y42 PolarHBondContact O-N 3.01Å; D40-Y42 PolarHBondContact OD2-OH 2.91Å; Y42-N44 HydrophobicContact CD2-CB 3.86Å; Y42-N44 HydrophobicContact CE2-CB 4.01Å; Y42-N44 WeakPolarHBondContact CE2-O 3.34Å; Y42-F50 HydrophobicContact CD1-CE2 4.28Å; Y42-F50 HydrophobicContact CD1-CZ 4.12Å; Y42-F50 AromaticContact CD2-CZ 3.86Å; Y42-F50 HydrophobicContact CD2-CZ 3.86Å; Y42-F50 AromaticContact CE1-CE2 3.95Å; Y42-F50 HydrophobicContact CE1-CE2 3.95Å; Y42-F50 HydrophobicContact CE1-CZ 4.14Å; Y42-F50 HydrophobicContact CE2-CE2 4.28Å; Y42-F50 AromaticContact CE2-CZ 3.89Å; Y42-F50 HydrophobicContact CE2-CZ 3.89Å; Y42-F50 AromaticContact CG-CZ 4Å; Y42-F50 HydrophobicContact CG-CZ 4Å; Y42-F50 AromaticContact CZ-CE2 3.98Å; Y42-T89 HydrophobicContact CD2-CG2 4.44Å; Y42-T89 HydrophobicContact CE2-CG2 3.56Å; Y42-T90 WeakPolarHBondContact O-CB 3.48Å; Y42-T90 PolarHBondContact O-N 3.42Å
43I96.2Very high92.6Very high118 Ų11833.2 Ų33.261%0.60518%0.182SC*.SBendtrans-79.1-29-171.5-60.8173.9000112.8I45 G91I43-I45 PolarHBondContact O-N 3.1Å; I43-G91 WeakPolarHBondContact O-CA 3.41Å; I43-G91 PolarHBondContact O-N 2.93Å
44N95.6Very high91.9Very high64 Ų6438.3 Ų38.334%0.34220%0.204SC..  trans-53.5140.9179.2-71.446.2000111.8Y42 D46 T49 F50 T89Y42-N44 HydrophobicContact CD2-CB 3.86Å; Y42-N44 HydrophobicContact CE2-CB 4.01Å; Y42-N44 WeakPolarHBondContact CE2-O 3.34Å; N44-D46 VanDerWaalsContact C-N 3.31Å; N44-D46 WeakPolarHBondContact CB-O 3.37Å; N44-D46 PolarHBondContact O-N 3.31Å; N44-T49 PolarHBondContact ND2-OG1 3.49Å; N44-F50 HydrophobicContact CB-CE1 3.87Å; N44-F50 HydrophobicContact CB-CZ 4.15Å; N44-F50 VanDerWaalsContact CG-CE1 3.46Å; N44-F50 VanDerWaalsContact ND2-CE1 3.34Å; N44-F50 WeakPolarHBondContact ND2-CE1 3.44Å; N44-T89 WeakPolarHBondContact O-CB 3.44Å; N44-T89 PolarHBondContact O-OG1 3.46Å; N44-T89 VanDerWaalsContact O-OG1 3.08Å
45I94.3Very high90.9Very high82 Ų8243.2 Ų43.242%0.42123%0.227SC..SBendtrans-67-37.5-179.2-64.9167.6000110.7I43 T89 K95I43-I45 PolarHBondContact O-N 3.1Å; I45-T89 WeakPolarHBondContact O-CG2 3.34Å; I45-T89 PolarHBondContact O-OG1 3.4Å; I45-K95 HydrophobicContact CD1-CD 4.01Å
46D92.7Very high90.3Very high62 Ų6243.6 Ų43.633%0.33223%0.231SC..SBendtrans-142.3175.2178.860.443000110.2N44 G48 E66N44-D46 VanDerWaalsContact C-N 3.31Å; N44-D46 WeakPolarHBondContact CB-O 3.37Å; N44-D46 PolarHBondContact O-N 3.31Å; D46-G48 PolarHBondContact OD1-N 3.36Å; D46-G48 VanDerWaalsContact OD1-N 3.07Å; D46-E66 WeakPolarHBondContact CB-O 3.26Å
47A92.5Very high89.9Confident2 Ų244.4 Ų44.42%0.01723%0.234CC..SBendtrans-90.2-3.2179.200000113.4T49 F50 V58 E66 V67A47-T49 PolarHBondContact O-N 3.19Å; A47-T49 VanDerWaalsContact O-N 3.12Å; A47-F50 HydrophobicContact CB-CD2 3.96Å; A47-F50 HydrophobicContact CB-CE2 4.24Å; A47-F50 WeakPolarHBondContact O-CB 3.47Å; A47-F50 PolarHBondContact O-N 3.44Å; A47-V58 VanDerWaalsContact O-CG2 3.24Å; A47-V58 WeakPolarHBondContact O-CG2 3.26Å; A47-E66 PolarHBondContact N-O 3.32Å; A47-E66 VanDerWaalsContact N-O 3.09Å; A47-V67 VanDerWaalsContact CB-C 3.45Å
48G90.9Very high89.7Confident10 Ų1044.7 Ų44.710%0.10324%0.236CC..THydrogen-bonded Turntrans-61.8-28.7-167.500000114.5D46 E66 R479D46-G48 PolarHBondContact OD1-N 3.36Å; D46-G48 VanDerWaalsContact OD1-N 3.07Å; G48-E66 WeakPolarHBondContact CA-OE1 3.32Å; G48-E66 WeakPolarHBondContact CA-OE2 3.26Å; G48-R479 PolarHBondContact O-NH2 2.74Å
49T90.3Very high89.6Confident108 Ų10844.5 Ų44.566%0.66324%0.235SC*.THydrogen-bonded Turntrans-90.6-0.8-178.753.80000113.9N44 A47N44-T49 PolarHBondContact ND2-OG1 3.49Å; A47-T49 PolarHBondContact O-N 3.19Å; A47-T49 VanDerWaalsContact O-N 3.12Å
50F87.8Confident89.6Confident31 Ų3144.5 Ų44.514%0.13624%0.235CC..  trans-69.7140.7178.7-71.2-13.6000112.4Y42 N44 A47 H55Y42-F50 HydrophobicContact CD1-CE2 4.28Å; Y42-F50 HydrophobicContact CD1-CZ 4.12Å; Y42-F50 AromaticContact CD2-CZ 3.86Å; Y42-F50 HydrophobicContact CD2-CZ 3.86Å; Y42-F50 AromaticContact CE1-CE2 3.95Å; Y42-F50 HydrophobicContact CE1-CE2 3.95Å; Y42-F50 HydrophobicContact CE1-CZ 4.14Å; Y42-F50 HydrophobicContact CE2-CE2 4.28Å; Y42-F50 AromaticContact CE2-CZ 3.89Å; Y42-F50 HydrophobicContact CE2-CZ 3.89Å; Y42-F50 AromaticContact CG-CZ 4Å; Y42-F50 HydrophobicContact CG-CZ 4Å; Y42-F50 AromaticContact CZ-CE2 3.98Å; N44-F50 HydrophobicContact CB-CE1 3.87Å; N44-F50 HydrophobicContact CB-CZ 4.15Å; N44-F50 VanDerWaalsContact CG-CE1 3.46Å; N44-F50 VanDerWaalsContact ND2-CE1 3.34Å; N44-F50 WeakPolarHBondContact ND2-CE1 3.44Å; A47-F50 HydrophobicContact CB-CD2 3.96Å; A47-F50 HydrophobicContact CB-CE2 4.24Å; A47-F50 WeakPolarHBondContact O-CB 3.47Å; A47-F50 PolarHBondContact O-N 3.44Å; F50-H55 HydrophobicContact CD2-CB 3.48Å; F50-H55 VanDerWaalsContact CD2-CB 3.48Å; F50-H55 AromaticContact CD2-CD2 3.88Å; F50-H55 AromaticContact CD2-CG 3.82Å; F50-H55 HydrophobicContact CE2-CB 3.81Å; F50-H55 AromaticContact CE2-CD2 3.71Å; F50-H55 AromaticContact CE2-CG 3.69Å; F50-H55 HydrophobicContact CG-CB 4.22Å; F50-H55 AromaticContact CZ-CD2 3.83Å
51S85.7Confident89.6Confident51 Ų5144.3 Ų44.336%0.35723%0.234SC..  trans-71.4132.2162.7172.90000108.8Y53 E54S51-Y53 PolarHBondContact O-N 2.9Å; S51-Y53 PolarHBondContact OG-N 2.84Å; S51-E54 PolarHBondContact O-N 2.92Å
52P81.7Confident89.6Confident26 Ų2645 Ų4517%0.16924%0.237CC..THydrogen-bonded Turntrans-57.6-16.6177.3-28.335.7000115.5G56 Y307 S313P52-G56 WeakPolarHBondContact CA-O 3.2Å; P52-G56 CarbonylContact O-C 3.55Å; P52-G56 WeakPolarHBondContact O-CA 3.33Å; P52-G56 PolarHBondContact O-N 3.14Å; P52-Y307 HydrophobicContact CB-CD1 4.17Å; P52-Y307 HydrophobicContact CB-CD2 4.21Å; P52-Y307 HydrophobicContact CB-CE1 4.31Å; P52-Y307 HydrophobicContact CB-CE2 4.36Å; P52-Y307 HydrophobicContact CB-CG 4.14Å; P52-Y307 HydrophobicContact CG-CD2 4.34Å; P52-Y307 HydrophobicContact CG-CE1 4.34Å; P52-Y307 HydrophobicContact CG-CE2 4.01Å; P52-S313 PolarHBondContact O-OG 3.03Å
53Y79.1Confident89.6Confident50 Ų5046 Ų4620%0.19624%0.244CC..THydrogen-bonded Turntrans-80.7-21175.9-78.4-38.8000114.7S51 K306 Y307 K309 F310S51-Y53 PolarHBondContact O-N 2.9Å; S51-Y53 PolarHBondContact OG-N 2.84Å; Y53-K306 PolarHBondContact OH-O 3.41Å; Y53-Y307 AromaticContact CD1-CD1 3.65Å; Y53-Y307 HydrophobicContact CD1-CD1 3.65Å; Y53-Y307 HydrophobicContact CD1-CG 4.35Å; Y53-Y307 AromaticContact CD2-CD1 3.51Å; Y53-Y307 HydrophobicContact CD2-CD1 3.51Å; Y53-Y307 AromaticContact CD2-CE1 3.8Å; Y53-Y307 HydrophobicContact CD2-CE1 3.8Å; Y53-Y307 VanDerWaalsContact CE1-CA 3.43Å; Y53-Y307 AromaticContact CE1-CD1 3.57Å; Y53-Y307 HydrophobicContact CE1-CD1 3.57Å; Y53-Y307 HydrophobicContact CE1-CG 4.06Å; Y53-Y307 AromaticContact CE2-CD1 3.41Å; Y53-Y307 HydrophobicContact CE2-CD1 3.41Å; Y53-Y307 VanDerWaalsContact CE2-CD1 3.41Å; Y53-Y307 AromaticContact CE2-CE1 3.87Å; Y53-Y307 HydrophobicContact CE2-CE1 3.87Å; Y53-Y307 HydrophobicContact CE2-CG 4.48Å; Y53-Y307 AromaticContact CG-CD1 3.63Å; Y53-Y307 HydrophobicContact CG-CD1 3.63Å; Y53-Y307 HydrophobicContact CG-CE1 4.22Å; Y53-Y307 AromaticContact CZ-CD1 3.45Å; Y53-Y307 VanDerWaalsContact CZ-CD1 3.45Å; Y53-Y307 WeakPolarHBondContact OH-CA 3.3Å; Y53-K309 HydrophobicContact CE1-CB 4.26Å; Y53-F310 AromaticContact CD1-CD2 3.88Å; Y53-F310 HydrophobicContact CD1-CD2 3.88Å; Y53-F310 HydrophobicContact CD1-CE2 4.45Å
54E76.6Confident89.5Confident151 Ų15141 Ų4171%0.70622%0.222SC*.THydrogen-bonded Turntrans-90.4-52.4-174.2-64.9-63.8156.600111.5S51S51-E54 PolarHBondContact O-N 2.92Å
55H75.2Confident89.5Confident105 Ų10538.5 Ų38.549%0.48621%0.211SC..SBendtrans-119.410.6-173.5-78-76000113.5F50F50-H55 HydrophobicContact CD2-CB 3.48Å; F50-H55 VanDerWaalsContact CD2-CB 3.48Å; F50-H55 AromaticContact CD2-CD2 3.88Å; F50-H55 AromaticContact CD2-CG 3.82Å; F50-H55 HydrophobicContact CE2-CB 3.81Å; F50-H55 AromaticContact CE2-CD2 3.71Å; F50-H55 AromaticContact CE2-CG 3.69Å; F50-H55 HydrophobicContact CG-CB 4.22Å; F50-H55 AromaticContact CZ-CD2 3.83Å
56G84.1Confident89.6Confident8 Ų836 Ų368%0.08220%0.197CC..  trans79.5-166.9-173.300000112.8P52P52-G56 WeakPolarHBondContact CA-O 3.2Å; P52-G56 CarbonylContact O-C 3.55Å; P52-G56 WeakPolarHBondContact O-CA 3.33Å; P52-G56 PolarHBondContact O-N 3.14Å
57E88.8Confident89.6Confident17 Ų1733.1 Ų33.18%0.07918%0.182CC..PPolyproline II helixtrans-64.7139.3-177.7-172.2-167.4129.300113.1Y59 L69 D312 A315 S316 Y529E57-Y59 PolarHBondContact O-N 3.22Å; E57-L69 HydrophobicContact CB-CD1 4.35Å; E57-D312 PolarHBondContact N-O 3.32Å; E57-A315 PolarHBondContact OE2-N 2.97Å; E57-S316 VanDerWaalsContact CD-CB 3.47Å; E57-S316 VanDerWaalsContact CD-OG 3.26Å; E57-S316 WeakPolarHBondContact OE1-CB 3.12Å; E57-S316 PolarHBondContact OE1-OG 3.41Å; E57-S316 WeakPolarHBondContact OE2-CB 3.47Å; E57-S316 PolarHBondContact OE2-N 3.12Å; E57-S316 PolarHBondContact OE2-OG 3.2Å; E57-Y529 WeakPolarHBondContact OE1-CE1 3.36Å
58V93.5Very high89.6Confident6 Ų634.2 Ų34.24%0.03619%0.187CC..PPolyproline II helixtrans-74.8120.4169.1179.40000109.2A47 E66 Y529A47-V58 VanDerWaalsContact O-CG2 3.24Å; A47-V58 WeakPolarHBondContact O-CG2 3.26Å; V58-E66 HydrophobicContact CG1-CB 3.77Å; V58-E66 HydrophobicContact CG1-CG 4.24Å; V58-Y529 PolarHBondContact O-OH 3.3Å
59Y95.2Very high89.5Confident0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-91.9136.2177.7-167.2-96000110.8E57 L61 V67 E75 R477 Y529E57-Y59 PolarHBondContact O-N 3.22Å; Y59-L61 HydrophobicContact CD1-CD2 3.93Å; Y59-L61 HydrophobicContact CE1-CD2 3.79Å; Y59-V67 HydrophobicContact CD1-CG2 3.96Å; Y59-V67 PolarHBondContact N-O 2.94Å; Y59-V67 WeakPolarHBondContact O-CG2 3.45Å; Y59-V67 PolarHBondContact O-N 2.97Å; Y59-E75 VanDerWaalsContact CE1-OE2 3.25Å; Y59-E75 WeakPolarHBondContact CE1-OE2 3.4Å; Y59-E75 PolarHBondContact OH-OE2 2.99Å; Y59-R477 PolarHBondContact OH-NH1 3.4Å; Y59-Y529 AromaticContact CD2-CD1 3.38Å; Y59-Y529 HydrophobicContact CD2-CD1 3.38Å; Y59-Y529 AromaticContact CD2-CE1 3.71Å; Y59-Y529 HydrophobicContact CD2-CE1 3.71Å; Y59-Y529 HydrophobicContact CD2-CG 4.46Å; Y59-Y529 AromaticContact CE2-CD1 3.38Å; Y59-Y529 HydrophobicContact CE2-CD1 3.38Å; Y59-Y529 HydrophobicContact CE2-CE1 4.2Å; Y59-Y529 HydrophobicContact CE2-CG 4.18Å; Y59-Y529 HydrophobicContact CG-CD1 4.13Å; Y59-Y529 HydrophobicContact CG-CE1 4.26Å; Y59-Y529 PolarHBondContact OH-O 3.02Å
60V96.8Very high89.4Confident0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans-107.1134.1-179.3-179.60000110.5A65 R477 R479 Y529V60-A65 WeakPolarHBondContact CA-O 3.31Å; V60-R477 HydrophobicContact CG1-CB 4.49Å; V60-R477 WeakPolarHBondContact O-CD 3.24Å; V60-R477 PolarHBondContact O-NE 3.13Å; V60-R477 PolarHBondContact O-NH1 3.44Å; V60-R479 HydrophobicContact CG2-CB 4.01Å; V60-R479 HydrophobicContact CG2-CG 4.12Å; V60-Y529 HydrophobicContact CB-CD2 4.26Å; V60-Y529 HydrophobicContact CB-CE2 3.85Å; V60-Y529 HydrophobicContact CG2-CE2 4.03Å
61L96.5Very high89.6Confident0 Ų030 Ų300%016%0.16CC..  trans-94.2168.4175.9-61.7-177.1000112.8Y59 D63 G64 A65 V67 L71 L82 H83Y59-L61 HydrophobicContact CD1-CD2 3.93Å; Y59-L61 HydrophobicContact CE1-CD2 3.79Å; L61-D63 WeakPolarHBondContact CB-OD1 3.34Å; L61-D63 PolarHBondContact O-N 3.26Å; L61-G64 PolarHBondContact O-N 2.85Å; L61-G64 VanDerWaalsContact O-N 3.08Å; L61-A65 HydrophobicContact CB-CB 4.12Å; L61-A65 HydrophobicContact CD1-CB 4.06Å; L61-A65 HydrophobicContact CG-CB 4.31Å; L61-A65 PolarHBondContact N-O 3.4Å; L61-V67 HydrophobicContact CD1-CG1 3.84Å; L61-V67 HydrophobicContact CD1-CG2 4.07Å; L61-V67 HydrophobicContact CD2-CG2 4.07Å; L61-V67 HydrophobicContact CG-CG1 4.24Å; L61-V67 HydrophobicContact CG-CG2 3.77Å; L61-L71 HydrophobicContact CD1-CD2 4.01Å; L61-L82 HydrophobicContact CD1-CB 4.3Å; L61-L82 HydrophobicContact CD2-CB 4.14Å; L61-H83 VanDerWaalsContact CD1-O 3.32Å; L61-H83 WeakPolarHBondContact CD1-O 3.4Å
62D94.8Very high90Very high27 Ų2727.6 Ų27.614%0.14414%0.143CC..THydrogen-bonded Turntrans-59.3-33.3-177.7-8919.4000112.5G64 T81 K452 R477D62-G64 VanDerWaalsContact C-N 3.29Å; D62-G64 PolarHBondContact O-N 3.27Å; D62-T81 HydrophobicContact CB-CG2 3.82Å; D62-T81 WeakPolarHBondContact OD2-CG2 3.37Å; D62-K452 HydrophobicContact CB-CB 4.24Å; D62-K452 HydrophobicContact CB-CD 4.41Å; D62-K452 VanDerWaalsContact O-CB 3.29Å; D62-K452 WeakPolarHBondContact O-CB 3.26Å; D62-K452 PolarHBondContact O-N 3.39Å; D62-K452 WeakPolarHBondContact OD2-CD 3.44Å; D62-K452 IonicContact OD2-NZ 3.78Å; D62-K452 PolarHBondContact OD2-NZ 2.76Å; D62-R477 IonicContact OD1-CZ 2.77Å; D62-R477 IonicContact OD1-NE 3.71Å; D62-R477 PolarHBondContact OD1-NE 3.44Å; D62-R477 IonicContact OD1-NH2 3.93Å; D62-R477 PolarHBondContact OD1-NH2 3.41Å
63D94.1Very high90.4Very high47 Ų4726.9 Ų26.925%0.25114%0.138SC..THydrogen-bonded Turntrans-88.811.1-179.372.1-26.1000113.9L61 A65 R84L61-D63 WeakPolarHBondContact CB-OD1 3.34Å; L61-D63 PolarHBondContact O-N 3.26Å; D63-A65 WeakPolarHBondContact OD1-CB 3.38Å; D63-A65 PolarHBondContact OD1-N 3.13Å; D63-R84 PolarHBondContact O-NH2 3.5Å; D63-R84 PolarHBondContact OD1-N 3.4Å; D63-R84 WeakPolarHBondContact OD2-CB 3.42Å; D63-R84 WeakPolarHBondContact OD2-CG 3.32Å; D63-R84 IonicContact OD2-CZ 3.08Å; D63-R84 PolarHBondContact OD2-N 3.4Å; D63-R84 IonicContact OD2-NE 3.99Å; D63-R84 PolarHBondContact OD2-NE 2.79Å
64G94.2Very high91.1Very high14 Ų1424.6 Ų24.614%0.14413%0.128CC..SBendtrans81.78.7176.800000115.4L61 D62L61-G64 PolarHBondContact O-N 2.85Å; L61-G64 VanDerWaalsContact O-N 3.08Å; D62-G64 VanDerWaalsContact C-N 3.29Å; D62-G64 PolarHBondContact O-N 3.27Å
65A94.5Very high92Very high12 Ų1217.4 Ų17.410%0.09910%0.095CC..  trans-66.3137.717300000111.4V60 L61 D63 V67 R84V60-A65 WeakPolarHBondContact CA-O 3.31Å; L61-A65 HydrophobicContact CB-CB 4.12Å; L61-A65 HydrophobicContact CD1-CB 4.06Å; L61-A65 HydrophobicContact CG-CB 4.31Å; L61-A65 PolarHBondContact N-O 3.4Å; D63-A65 WeakPolarHBondContact OD1-CB 3.38Å; D63-A65 PolarHBondContact OD1-N 3.13Å; A65-V67 HydrophobicContact CB-CG1 3.94Å; A65-R84 HydrophobicContact CB-CB 3.48Å; A65-R84 VanDerWaalsContact CB-CB 3.48Å
66E95.8Very high92.9Very high28 Ų2812.8 Ų12.813%0.1317%0.073CC..EExtended strand (participates in β ladder)trans-99.2111.8170.5-62.7-178.6100.300108.6D46 A47 G48 V58 L450 R479D46-E66 WeakPolarHBondContact CB-O 3.26Å; A47-E66 PolarHBondContact N-O 3.32Å; A47-E66 VanDerWaalsContact N-O 3.09Å; G48-E66 WeakPolarHBondContact CA-OE1 3.32Å; G48-E66 WeakPolarHBondContact CA-OE2 3.26Å; V58-E66 HydrophobicContact CG1-CB 3.77Å; V58-E66 HydrophobicContact CG1-CG 4.24Å; E66-L450 HydrophobicContact CG-CD2 4.12Å; E66-R479 IonicContact OE1-CZ 3.36Å; E66-R479 IonicContact OE1-NE 3.38Å; E66-R479 PolarHBondContact OE1-NE 2.85Å; E66-R479 IonicContact OE1-NH2 3.85Å; E66-R479 PolarHBondContact OE1-NH2 3.42Å
67V94.7Very high93.2Very high2 Ų212.9 Ų12.91%0.0127%0.072CC..EExtended strand (participates in β ladder)trans-128.8167-168.8-60.90000111.6A47 Y59 L61 A65 L71 N87A47-V67 VanDerWaalsContact CB-C 3.45Å; Y59-V67 HydrophobicContact CD1-CG2 3.96Å; Y59-V67 PolarHBondContact N-O 2.94Å; Y59-V67 WeakPolarHBondContact O-CG2 3.45Å; Y59-V67 PolarHBondContact O-N 2.97Å; L61-V67 HydrophobicContact CD1-CG1 3.84Å; L61-V67 HydrophobicContact CD1-CG2 4.07Å; L61-V67 HydrophobicContact CD2-CG2 4.07Å; L61-V67 HydrophobicContact CG-CG1 4.24Å; L61-V67 HydrophobicContact CG-CG2 3.77Å; A65-V67 HydrophobicContact CB-CG1 3.94Å; V67-L71 HydrophobicContact CB-CD1 4.36Å; V67-L71 HydrophobicContact CB-CD2 3.99Å; V67-L71 HydrophobicContact CG1-CD2 4.15Å; V67-L71 HydrophobicContact CG2-CB 3.84Å; V67-L71 HydrophobicContact CG2-CD1 4.46Å; V67-L71 HydrophobicContact CG2-CD2 3.82Å; V67-L71 HydrophobicContact CG2-CG 4.24Å; V67-N87 HydrophobicContact CB-CB 4.32Å; V67-N87 HydrophobicContact CG1-CB 3.75Å
68D90.9Very high93.3Very high25 Ų2512.4 Ų12.413%0.1347%0.069CC..  trans-57.4144.9172.6-173.84.9000111.5K38 D70 L71K38-D68 IonicContact NZ-OD2 3.3Å; K38-D68 PolarHBondContact NZ-OD2 3.05Å; D68-D70 PolarHBondContact O-N 3.24Å; D68-D70 VanDerWaalsContact O-N 3.12Å; D68-L71 HydrophobicContact CB-CD1 4.49Å; D68-L71 PolarHBondContact O-N 3.06Å; D68-L71 VanDerWaalsContact O-N 3.08Å
69L88.7Confident93.1Very high18 Ų1817.1 Ų17.19%0.0949%0.094CC..THydrogen-bonded Turntrans-53.3-30.6178.217862.3000112.9E57 L71 G72 A315E57-L69 HydrophobicContact CB-CD1 4.35Å; L69-L71 PolarHBondContact O-N 3.2Å; L69-G72 WeakPolarHBondContact O-CA 3.4Å; L69-G72 PolarHBondContact O-N 3.45Å; L69-A315 HydrophobicContact CD1-CB 4.07Å; L69-A315 HydrophobicContact CD2-CB 3.44Å; L69-A315 VanDerWaalsContact CD2-CB 3.44Å; L69-A315 HydrophobicContact CG-CB 4.32Å
70D88.9Confident93Very high43 Ų4317.1 Ų17.123%0.239%0.094CC..THydrogen-bonded Turntrans-59.2-31.1179.1-81.2-28.5000112.9K38 D68 G72 N73 Y74K38-D70 VanDerWaalsContact CE-OD2 3.24Å; K38-D70 WeakPolarHBondContact CE-OD2 3Å; K38-D70 IonicContact NZ-OD2 2.76Å; K38-D70 PolarHBondContact NZ-OD2 3.09Å; D68-D70 PolarHBondContact O-N 3.24Å; D68-D70 VanDerWaalsContact O-N 3.12Å; D70-G72 PolarHBondContact O-N 3.37Å; D70-N73 VanDerWaalsContact O-CB 3.3Å; D70-N73 WeakPolarHBondContact O-CB 3.41Å; D70-N73 PolarHBondContact O-N 2.9Å; D70-N73 PolarHBondContact OD1-ND2 3.42Å; D70-Y74 WeakPolarHBondContact O-CD2 3.37Å
71L93.1Very high92.8Very high1 Ų119 Ų191%0.00511%0.106CC..Hα-helixtrans-60.4-33.2174-84.978.3000112.2K38 L61 V67 D68 L69 N73 Y74 E75 L82 N87K38-L71 HydrophobicContact CB-CD1 3.49Å; K38-L71 VanDerWaalsContact CB-CD1 3.49Å; K38-L71 HydrophobicContact CB-CG 4.28Å; K38-L71 HydrophobicContact CG-CD1 3.71Å; L61-L71 HydrophobicContact CD1-CD2 4.01Å; V67-L71 HydrophobicContact CB-CD1 4.36Å; V67-L71 HydrophobicContact CB-CD2 3.99Å; V67-L71 HydrophobicContact CG1-CD2 4.15Å; V67-L71 HydrophobicContact CG2-CB 3.84Å; V67-L71 HydrophobicContact CG2-CD1 4.46Å; V67-L71 HydrophobicContact CG2-CD2 3.82Å; V67-L71 HydrophobicContact CG2-CG 4.24Å; D68-L71 HydrophobicContact CB-CD1 4.49Å; D68-L71 PolarHBondContact O-N 3.06Å; D68-L71 VanDerWaalsContact O-N 3.08Å; L69-L71 PolarHBondContact O-N 3.2Å; L71-N73 PolarHBondContact O-N 3.21Å; L71-Y74 PolarHBondContact O-N 2.97Å; L71-E75 PolarHBondContact O-N 3.35Å; L71-E75 VanDerWaalsContact O-N 3.15Å; L71-L82 HydrophobicContact CB-CD1 4.28Å; L71-L82 HydrophobicContact CD2-CD1 4.19Å; L71-L82 HydrophobicContact CG-CD1 4.16Å; L71-N87 HydrophobicContact CD1-CB 4.44Å; L71-N87 HydrophobicContact CD2-CB 3.86Å
72G92.3Very high92.7Very high0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-67.3-19.4174.300000113.9L69 D70 R76L69-G72 WeakPolarHBondContact O-CA 3.4Å; L69-G72 PolarHBondContact O-N 3.45Å; D70-G72 PolarHBondContact O-N 3.37Å; G72-R76 VanDerWaalsContact C-NH1 3.33Å; G72-R76 WeakPolarHBondContact O-CB 3.34Å; G72-R76 VanDerWaalsContact O-CD 3.25Å; G72-R76 WeakPolarHBondContact O-CD 3.45Å; G72-R76 WeakPolarHBondContact O-CG 3.33Å; G72-R76 PolarHBondContact O-N 3.44Å; G72-R76 PolarHBondContact O-NH1 2.78Å
73N91.4Very high92.7Very high11 Ų1121 Ų216%0.05911%0.114CC..Hα-helixtrans-72-46.8170.8-63.8-38.2000110.1D70 L71 E75 R76 F77 K319D70-N73 VanDerWaalsContact O-CB 3.3Å; D70-N73 WeakPolarHBondContact O-CB 3.41Å; D70-N73 PolarHBondContact O-N 2.9Å; D70-N73 PolarHBondContact OD1-ND2 3.42Å; L71-N73 PolarHBondContact O-N 3.21Å; N73-E75 PolarHBondContact O-N 3.45Å; N73-R76 PolarHBondContact O-N 3.27Å; N73-F77 VanDerWaalsContact O-CD2 3.32Å; N73-F77 WeakPolarHBondContact O-CD2 3.43Å; N73-F77 PolarHBondContact O-N 2.75Å; N73-K319 PolarHBondContact OD1-NZ 2.83Å
74Y93.8Very high92.7Very high1 Ų124.9 Ų24.90%0.00413%0.125CC..Hα-helixtrans-60.5-47.7179.9-64.5-75.2000112.6A20 S21 S36 D70 L71 R76 F77 L78 E145A20-Y74 HydrophobicContact CB-CE1 3.71Å; A20-Y74 WeakPolarHBondContact CB-OH 3.36Å; S21-Y74 WeakPolarHBondContact OG-CD1 3.39Å; S36-Y74 WeakPolarHBondContact OG-CD1 3.36Å; S36-Y74 VanDerWaalsContact OG-CE1 3.24Å; S36-Y74 WeakPolarHBondContact OG-CE1 3.48Å; S36-Y74 VanDerWaalsContact OG-CG 3.31Å; D70-Y74 WeakPolarHBondContact O-CD2 3.37Å; L71-Y74 PolarHBondContact O-N 2.97Å; Y74-R76 VanDerWaalsContact C-N 3.27Å; Y74-R76 PolarHBondContact O-N 3.34Å; Y74-F77 PolarHBondContact O-N 3.42Å; Y74-L78 HydrophobicContact CD1-CD1 4.26Å; Y74-L78 WeakPolarHBondContact O-CB 3.46Å; Y74-L78 WeakPolarHBondContact O-CD1 3.44Å; Y74-L78 PolarHBondContact O-N 3.19Å; Y74-E145 WeakPolarHBondContact CE2-OE2 3.3Å; Y74-E145 WeakPolarHBondContact OH-CB 3.35Å; Y74-E145 VanDerWaalsContact OH-CD 3.31Å; Y74-E145 PolarHBondContact OH-OE2 3.04Å
75E94.7Very high92.8Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-60-38.4177.3-72.9-159.8144.100112Y59 L71 N73 D79 V80 T81 L82 R477 R532Y59-E75 VanDerWaalsContact CE1-OE2 3.25Å; Y59-E75 WeakPolarHBondContact CE1-OE2 3.4Å; Y59-E75 PolarHBondContact OH-OE2 2.99Å; L71-E75 PolarHBondContact O-N 3.35Å; L71-E75 VanDerWaalsContact O-N 3.15Å; N73-E75 PolarHBondContact O-N 3.45Å; E75-D79 VanDerWaalsContact O-CA 3.31Å; E75-D79 WeakPolarHBondContact O-CA 3.41Å; E75-D79 PolarHBondContact O-N 3.07Å; E75-D79 VanDerWaalsContact O-N 3.17Å; E75-V80 WeakPolarHBondContact CB-O 3.45Å; E75-V80 WeakPolarHBondContact CG-O 3.45Å; E75-T81 WeakPolarHBondContact OE1-CA 3.5Å; E75-L82 HydrophobicContact CG-CB 4.29Å; E75-L82 HydrophobicContact CG-CD1 4.1Å; E75-L82 HydrophobicContact CG-CG 3.91Å; E75-L82 PolarHBondContact OE1-N 3.22Å; E75-R477 IonicContact OE1-CZ 3.64Å; E75-R477 IonicContact OE1-NH1 3.28Å; E75-R477 IonicContact OE1-NH2 2.93Å; E75-R477 PolarHBondContact OE1-NH2 3.2Å; E75-R477 IonicContact OE2-CZ 3.06Å; E75-R477 IonicContact OE2-NH1 3.71Å; E75-R477 PolarHBondContact OE2-NH1 3.15Å; E75-R477 IonicContact OE2-NH2 3.74Å; E75-R477 PolarHBondContact OE2-NH2 3.28Å; E75-R477 VanDerWaalsContact OE2-NH2 3.14Å; E75-R532 WeakPolarHBondContact O-CD 3.44Å; E75-R532 PolarHBondContact O-NE 3.27Å; E75-R532 IonicContact OE2-NH2 2.66Å
76R93.4Very high92.9Very high8 Ų826.1 Ų26.13%0.0313%0.127CC..Hα-helixtrans-70.4-43.5179.6-74.6175-170.2115.1-2.1113.5G72 N73 Y74 S316 E528 S531 P533G72-R76 VanDerWaalsContact C-NH1 3.33Å; G72-R76 WeakPolarHBondContact O-CB 3.34Å; G72-R76 VanDerWaalsContact O-CD 3.25Å; G72-R76 WeakPolarHBondContact O-CD 3.45Å; G72-R76 WeakPolarHBondContact O-CG 3.33Å; G72-R76 PolarHBondContact O-N 3.44Å; G72-R76 PolarHBondContact O-NH1 2.78Å; N73-R76 PolarHBondContact O-N 3.27Å; Y74-R76 VanDerWaalsContact C-N 3.27Å; Y74-R76 PolarHBondContact O-N 3.34Å; R76-S316 VanDerWaalsContact NH2-CA 3.3Å; R76-S316 PolarHBondContact NH2-OG 2.69Å; R76-E528 PolarHBondContact NH2-O 3.25Å; R76-S531 WeakPolarHBondContact CG-O 3.35Å; R76-P533 VanDerWaalsContact O-CD 3.25Å; R76-P533 WeakPolarHBondContact O-CD 3.3Å
77F91.1Very high93Very high11 Ų1125 Ų255%0.04812%0.122CC..Hα-helixtrans-80.7-41.3-175.6-86.2-89.9000112.8N73 Y74 I249 Y250 W285N73-F77 VanDerWaalsContact O-CD2 3.32Å; N73-F77 WeakPolarHBondContact O-CD2 3.43Å; N73-F77 PolarHBondContact O-N 2.75Å; Y74-F77 PolarHBondContact O-N 3.42Å; F77-I249 HydrophobicContact CE2-CD1 3.91Å; F77-I249 HydrophobicContact CZ-CB 4.1Å; F77-I249 HydrophobicContact CZ-CD1 3.7Å; F77-I249 HydrophobicContact CZ-CG1 3.83Å; F77-Y250 HydrophobicContact CE1-CD1 4.18Å; F77-Y250 HydrophobicContact CZ-CD1 4.28Å; F77-Y250 HydrophobicContact CZ-CE1 4.42Å; F77-W285 HydrophobicContact CB-CH2 4.45Å; F77-W285 AromaticContact CD1-CH2 3.5Å; F77-W285 HydrophobicContact CD1-CH2 3.5Å; F77-W285 VanDerWaalsContact CD1-CH2 3.5Å; F77-W285 HydrophobicContact CD1-CZ2 4.49Å; F77-W285 AromaticContact CD1-CZ3 3.73Å; F77-W285 HydrophobicContact CD1-CZ3 3.73Å; F77-W285 HydrophobicContact CE1-CH2 4.11Å; F77-W285 AromaticContact CE1-CZ3 3.85Å; F77-W285 HydrophobicContact CE1-CZ3 3.85Å; F77-W285 HydrophobicContact CG-CH2 4.25Å; F77-W285 WeakPolarHBondContact O-CZ2 3.46Å
78L90.9Very high93.1Very high6 Ų624.9 Ų24.93%0.03112%0.121CC..Hα-helixtrans-89.8-9.4-176.3-71.975.5000113V34 Y74 V80V34-L78 HydrophobicContact CB-CD2 4.06Å; V34-L78 HydrophobicContact CG1-CD2 3.66Å; Y74-L78 HydrophobicContact CD1-CD1 4.26Å; Y74-L78 WeakPolarHBondContact O-CB 3.46Å; Y74-L78 WeakPolarHBondContact O-CD1 3.44Å; Y74-L78 PolarHBondContact O-N 3.19Å; L78-V80 HydrophobicContact CB-CB 4.45Å; L78-V80 HydrophobicContact CB-CG1 3.85Å; L78-V80 HydrophobicContact CB-CG2 3.95Å; L78-V80 PolarHBondContact O-N 3.35Å
79D90.3Very high93.4Very high105 Ų10523.7 Ų23.756%0.56112%0.115SC*.  trans59.425-172.1-162.431.7000113.7E75 Q134 R532E75-D79 VanDerWaalsContact O-CA 3.31Å; E75-D79 WeakPolarHBondContact O-CA 3.41Å; E75-D79 PolarHBondContact O-N 3.07Å; E75-D79 VanDerWaalsContact O-N 3.17Å; D79-Q134 PolarHBondContact O-NE2 2.78Å; D79-R532 IonicContact OD1-NE 2.67Å
80V92.2Very high93.8Very high0 Ų023.3 Ų23.30%011%0.113CC..  trans-92.7163.3-179.4-60.80000112.1E75 L78 L82 V133 Q134E75-V80 WeakPolarHBondContact CB-O 3.45Å; E75-V80 WeakPolarHBondContact CG-O 3.45Å; L78-V80 HydrophobicContact CB-CB 4.45Å; L78-V80 HydrophobicContact CB-CG1 3.85Å; L78-V80 HydrophobicContact CB-CG2 3.95Å; L78-V80 PolarHBondContact O-N 3.35Å; V80-L82 HydrophobicContact CG2-CD2 4.02Å; V80-L82 HydrophobicContact CG2-CG 4.25Å; V80-V133 HydrophobicContact CB-CB 4.41Å; V80-V133 HydrophobicContact CB-CG2 4.12Å; V80-V133 HydrophobicContact CG1-CG2 3.95Å; V80-Q134 VanDerWaalsContact CA-NE2 3.31Å; V80-Q134 HydrophobicContact CB-CG 4.28Å; V80-Q134 HydrophobicContact CG1-CG 4.06Å; V80-Q134 VanDerWaalsContact CG1-NE2 3.29Å
81T92.6Very high94.2Very high40 Ų4021.6 Ų21.625%0.24511%0.106CC..  trans-108.4122.6166.7-62.40000108.7D62 E75 V133D62-T81 HydrophobicContact CB-CG2 3.82Å; D62-T81 WeakPolarHBondContact OD2-CG2 3.37Å; E75-T81 WeakPolarHBondContact OE1-CA 3.5Å; T81-V133 WeakPolarHBondContact O-CB 3.49Å
82L94.8Very high94.4Very high1 Ų123.2 Ų23.21%0.00511%0.113CC..  trans-96.8160.2176.1-59.9177000110.4L61 L71 E75 V80 N86 V133L61-L82 HydrophobicContact CD1-CB 4.3Å; L61-L82 HydrophobicContact CD2-CB 4.14Å; L71-L82 HydrophobicContact CB-CD1 4.28Å; L71-L82 HydrophobicContact CD2-CD1 4.19Å; L71-L82 HydrophobicContact CG-CD1 4.16Å; E75-L82 HydrophobicContact CG-CB 4.29Å; E75-L82 HydrophobicContact CG-CD1 4.1Å; E75-L82 HydrophobicContact CG-CG 3.91Å; E75-L82 PolarHBondContact OE1-N 3.22Å; V80-L82 HydrophobicContact CG2-CD2 4.02Å; V80-L82 HydrophobicContact CG2-CG 4.25Å; L82-N86 HydrophobicContact CB-CB 4.15Å; L82-N86 HydrophobicContact CD2-CB 4.22Å; L82-V133 HydrophobicContact CD2-CG1 4.17Å
83H93.9Very high94.7Very high67 Ų6723.3 Ų23.331%0.3111%0.113SC..  trans-121.9170.1177.8-60.5-69.3000110.9L61 D85 N86L61-H83 VanDerWaalsContact CD1-O 3.32Å; L61-H83 WeakPolarHBondContact CD1-O 3.4Å; H83-D85 PolarHBondContact O-N 3.23Å; H83-N86 PolarHBondContact N-OD1 2.94Å; H83-N86 WeakPolarHBondContact O-CB 3.46Å; H83-N86 PolarHBondContact O-N 3.35Å; H83-N86 PolarHBondContact O-OD1 3.3Å
84R95.2Very high95Very high130 Ų13027 Ų2749%0.49113%0.127SC..G310 helixtrans-49-33.1179.967.6-173.759.9-164-7.2114.1D63 A65 N86 N87 K92D63-R84 PolarHBondContact O-NH2 3.5Å; D63-R84 PolarHBondContact OD1-N 3.4Å; D63-R84 WeakPolarHBondContact OD2-CB 3.42Å; D63-R84 WeakPolarHBondContact OD2-CG 3.32Å; D63-R84 IonicContact OD2-CZ 3.08Å; D63-R84 PolarHBondContact OD2-N 3.4Å; D63-R84 IonicContact OD2-NE 3.99Å; D63-R84 PolarHBondContact OD2-NE 2.79Å; A65-R84 HydrophobicContact CB-CB 3.48Å; A65-R84 VanDerWaalsContact CB-CB 3.48Å; R84-N86 VanDerWaalsContact C-N 3.32Å; R84-N87 PolarHBondContact O-N 3.45Å; R84-N87 VanDerWaalsContact O-O 3.13Å; R84-K92 PolarHBondContact O-NZ 3.36Å
85D95.6Very high95.2Very high47 Ų4731.7 Ų31.725%0.25115%0.148SC..G310 helixtrans-78.7-16.8-175.2-79.8-2.5000113.6H83 N87 K92 W124 R127 V128H83-D85 PolarHBondContact O-N 3.23Å; D85-N87 PolarHBondContact O-N 3.47Å; D85-K92 IonicContact OD1-NZ 2.72Å; D85-K92 PolarHBondContact OD1-NZ 3.16Å; D85-W124 HydrophobicContact CB-CZ2 4.44Å; D85-W124 PolarHBondContact O-NE1 2.94Å; D85-W124 WeakPolarHBondContact OD1-CZ2 3.45Å; D85-R127 IonicContact OD2-CZ 2.77Å; D85-R127 IonicContact OD2-NH1 3.7Å; D85-R127 PolarHBondContact OD2-NH1 3.49Å; D85-R127 IonicContact OD2-NH2 2.81Å; D85-V128 HydrophobicContact CB-CG2 3.75Å
86N96.8Very high95.3Very high5 Ų534 Ų343%0.02716%0.16CC..G310 helixtrans-72-15.5170.7-62.590.8000112.4S36 I37 K38 L82 H83 R84S36-N86 WeakPolarHBondContact O-CB 3.42Å; S36-N86 PolarHBondContact O-ND2 3.41Å; I37-N86 CarbonylContact C-O 3.42Å; I37-N86 VanDerWaalsContact CA-O 3.31Å; I37-N86 WeakPolarHBondContact CA-O 3.29Å; K38-N86 PolarHBondContact N-O 3.02Å; L82-N86 HydrophobicContact CB-CB 4.15Å; L82-N86 HydrophobicContact CD2-CB 4.22Å; H83-N86 PolarHBondContact N-OD1 2.94Å; H83-N86 WeakPolarHBondContact O-CB 3.46Å; H83-N86 PolarHBondContact O-N 3.35Å; H83-N86 PolarHBondContact O-OD1 3.3Å; R84-N86 VanDerWaalsContact C-N 3.32Å
87N96.9Very high95.5Very high4 Ų433.9 Ų33.92%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-101.4124.1169.7-174.6-119.6000110.2D40 V67 L71 R84 D85 T89 K92D40-N87 PolarHBondContact OD2-ND2 3.18Å; V67-N87 HydrophobicContact CB-CB 4.32Å; V67-N87 HydrophobicContact CG1-CB 3.75Å; L71-N87 HydrophobicContact CD1-CB 4.44Å; L71-N87 HydrophobicContact CD2-CB 3.86Å; R84-N87 PolarHBondContact O-N 3.45Å; R84-N87 VanDerWaalsContact O-O 3.13Å; D85-N87 PolarHBondContact O-N 3.47Å; N87-T89 WeakPolarHBondContact OD1-CG2 3.45Å; N87-K92 PolarHBondContact O-NZ 2.98Å
88I97.4Very high95.8Very high0 Ų038.5 Ų38.50%018%0.184CC..EExtended strand (participates in β ladder)trans-117.2121.4175.7-57.6175.7000107I37 K38 I39 D40 I93 W124 V125 F158I37-I88 HydrophobicContact CG2-CD1 3.66Å; I37-I88 HydrophobicContact CG2-CG1 4.08Å; K38-I88 PolarHBondContact O-N 3.03Å; I39-I88 CarbonylContact C-O 3.58Å; I39-I88 VanDerWaalsContact CA-O 3.32Å; I39-I88 WeakPolarHBondContact CA-O 3.49Å; I39-I88 HydrophobicContact CG1-CB 4.12Å; I39-I88 HydrophobicContact CG1-CD1 4.24Å; D40-I88 PolarHBondContact N-O 3.09Å; I88-I93 HydrophobicContact CG2-CD1 3.82Å; I88-I93 HydrophobicContact CG2-CG1 3.69Å; I88-W124 HydrophobicContact CD1-CB 4.21Å; I88-W124 VanDerWaalsContact CD1-CD1 3.42Å; I88-W124 HydrophobicContact CD1-CG 3.85Å; I88-W124 HydrophobicContact CG1-CG 4.16Å; I88-V125 HydrophobicContact CD1-CG2 4.09Å; I88-F158 HydrophobicContact CG2-CE1 4.41Å
89T97.6Very high96.1Very high0 Ų043.1 Ų43.10%021%0.205CC..EExtended strand (participates in β ladder)trans-112.7158.9172.466.20000109.6D40 Y42 N44 I45 N87 G91 K92 I93D40-T89 HydrophobicContact CB-CG2 4.2Å; D40-T89 WeakPolarHBondContact O-CA 3.45Å; Y42-T89 HydrophobicContact CD2-CG2 4.44Å; Y42-T89 HydrophobicContact CE2-CG2 3.56Å; N44-T89 WeakPolarHBondContact O-CB 3.44Å; N44-T89 PolarHBondContact O-OG1 3.46Å; N44-T89 VanDerWaalsContact O-OG1 3.08Å; I45-T89 WeakPolarHBondContact O-CG2 3.34Å; I45-T89 PolarHBondContact O-OG1 3.4Å; N87-T89 WeakPolarHBondContact OD1-CG2 3.45Å; T89-G91 VanDerWaalsContact C-N 3.28Å; T89-G91 PolarHBondContact O-N 3.41Å; T89-K92 PolarHBondContact O-N 3.3Å; T89-K92 VanDerWaalsContact OG1-CB 3.24Å; T89-K92 WeakPolarHBondContact OG1-CB 3.15Å; T89-K92 PolarHBondContact OG1-N 2.91Å; T89-K92 VanDerWaalsContact OG1-N 3.1Å; T89-I93 PolarHBondContact O-N 3.49Å
90T97.4Very high96.5Very high9 Ų940.1 Ų40.16%0.05519%0.187CC..Hα-helixtrans-55.5-45.5173.4-59.30000111.2D40 P41 Y42 K92 I93 Y94 F158D40-T90 PolarHBondContact O-N 3.04Å; P41-T90 PolarHBondContact O-OG1 2.85Å; Y42-T90 WeakPolarHBondContact O-CB 3.48Å; Y42-T90 PolarHBondContact O-N 3.42Å; T90-K92 VanDerWaalsContact C-N 3.32Å; T90-K92 PolarHBondContact O-N 3.26Å; T90-I93 PolarHBondContact O-N 3.18Å; T90-Y94 HydrophobicContact CG2-CD2 3.8Å; T90-Y94 HydrophobicContact CG2-CE1 4.16Å; T90-Y94 HydrophobicContact CG2-CE2 3.29Å; T90-Y94 HydrophobicContact CG2-CG 4.42Å; T90-Y94 VanDerWaalsContact CG2-CZ 3.49Å; T90-Y94 PolarHBondContact O-N 3.31Å; T90-F158 WeakPolarHBondContact OG1-CE2 3.4Å; T90-F158 WeakPolarHBondContact OG1-CZ 3.33Å
91G97.4Very high96.7Very high8 Ų845 Ų458%0.08221%0.21CC..Hα-helixtrans-61.8-36.2178.700000113.9I43 T89 Y94 K95I43-G91 WeakPolarHBondContact O-CA 3.41Å; I43-G91 PolarHBondContact O-N 2.93Å; T89-G91 VanDerWaalsContact C-N 3.28Å; T89-G91 PolarHBondContact O-N 3.41Å; G91-Y94 PolarHBondContact O-N 3.2Å; G91-K95 VanDerWaalsContact O-CB 3.3Å; G91-K95 WeakPolarHBondContact O-CB 3.34Å; G91-K95 PolarHBondContact O-N 2.71Å
92K97.2Very high96.9Very high35 Ų3554.1 Ų54.115%0.15224%0.24CC..Hα-helixtrans-66.7-42.1178.9-168177.4-168.8-172.20112R84 D85 N87 T89 T90 L96 W124R84-K92 PolarHBondContact O-NZ 3.36Å; D85-K92 IonicContact OD1-NZ 2.72Å; D85-K92 PolarHBondContact OD1-NZ 3.16Å; N87-K92 PolarHBondContact O-NZ 2.98Å; T89-K92 PolarHBondContact O-N 3.3Å; T89-K92 VanDerWaalsContact OG1-CB 3.24Å; T89-K92 WeakPolarHBondContact OG1-CB 3.15Å; T89-K92 PolarHBondContact OG1-N 2.91Å; T89-K92 VanDerWaalsContact OG1-N 3.1Å; T90-K92 VanDerWaalsContact C-N 3.32Å; T90-K92 PolarHBondContact O-N 3.26Å; K92-L96 PolarHBondContact O-N 2.88Å; K92-W124 HydrophobicContact CD-CH2 3.89Å; K92-W124 HydrophobicContact CD-CZ2 3.93Å; K92-W124 VanDerWaalsContact CE-CH2 3.41Å; K92-W124 HydrophobicContact CG-CH2 3.93Å; K92-W124 HydrophobicContact CG-CZ2 4.47Å; K92-W124 HydrophobicContact CG-CZ3 4.4Å
93I98.2Very high97Very high1 Ų159.3 Ų59.31%0.00527%0.272CS..Hα-helixtrans-67.7-44.8176.1-62.4-61.3000110.8I88 T89 T90 K95 L96 V97 I117 A120 I121 W124I88-I93 HydrophobicContact CG2-CD1 3.82Å; I88-I93 HydrophobicContact CG2-CG1 3.69Å; T89-I93 PolarHBondContact O-N 3.49Å; T90-I93 PolarHBondContact O-N 3.18Å; I93-K95 PolarHBondContact O-N 3.28Å; I93-L96 PolarHBondContact O-N 3.09Å; I93-V97 HydrophobicContact CG2-CG2 4.34Å; I93-V97 VanDerWaalsContact O-CG2 3.3Å; I93-V97 WeakPolarHBondContact O-CG2 3.5Å; I93-V97 PolarHBondContact O-N 3.46Å; I93-I117 HydrophobicContact CG2-CG2 3.93Å; I93-A120 HydrophobicContact CG2-CB 4.23Å; I93-I121 HydrophobicContact CD1-CG1 4.24Å; I93-I121 HydrophobicContact CG1-CG1 4.08Å; I93-I121 HydrophobicContact CG2-CG1 4.17Å; I93-W124 HydrophobicContact CD1-CD2 4.2Å; I93-W124 HydrophobicContact CD1-CE3 3.65Å; I93-W124 HydrophobicContact CD1-CZ3 4.26Å
94Y98Very high97.1Very high88 Ų8858 Ų5835%0.34528%0.276SS..Hα-helixtrans-63.6-43.1179.4-68.9-7.9000112.2T90 G91 L96 V97 I98 I117T90-Y94 HydrophobicContact CG2-CD2 3.8Å; T90-Y94 HydrophobicContact CG2-CE1 4.16Å; T90-Y94 HydrophobicContact CG2-CE2 3.29Å; T90-Y94 HydrophobicContact CG2-CG 4.42Å; T90-Y94 VanDerWaalsContact CG2-CZ 3.49Å; T90-Y94 PolarHBondContact O-N 3.31Å; G91-Y94 PolarHBondContact O-N 3.2Å; Y94-L96 PolarHBondContact O-N 2.93Å; Y94-V97 PolarHBondContact O-N 3.11Å; Y94-I98 WeakPolarHBondContact O-CB 3.49Å; Y94-I98 WeakPolarHBondContact O-CD1 3.19Å; Y94-I98 WeakPolarHBondContact O-CG1 3.47Å; Y94-I98 PolarHBondContact O-N 3.46Å; Y94-I117 HydrophobicContact CD1-CD1 3.9Å; Y94-I117 HydrophobicContact CE1-CD1 4.06Å; Y94-I117 HydrophobicContact CE1-CG1 4.25Å; Y94-I117 HydrophobicContact CE1-CG2 4Å
95K97.6Very high97.2Very high101 Ų10157.1 Ų57.144%0.43928%0.278SS..Hα-helixtrans-56.5-49174.4-180175.7175.4-179.80111.7I45 G91 I93 V97 I98 E99I45-K95 HydrophobicContact CD1-CD 4.01Å; G91-K95 VanDerWaalsContact O-CB 3.3Å; G91-K95 WeakPolarHBondContact O-CB 3.34Å; G91-K95 PolarHBondContact O-N 2.71Å; I93-K95 PolarHBondContact O-N 3.28Å; K95-V97 PolarHBondContact O-N 3.43Å; K95-I98 PolarHBondContact O-N 2.76Å; K95-E99 WeakPolarHBondContact CE-OE1 3.35Å; K95-E99 WeakPolarHBondContact O-CB 3.43Å; K95-E99 WeakPolarHBondContact O-CG 3.39Å; K95-E99 PolarHBondContact O-N 2.91Å
96L96.6Very high97.3Very high48 Ų4857.1 Ų57.125%0.25128%0.275SS..Hα-helixtrans-57.4-47.8177.8174.165.9000111.7K92 I93 Y94 E99 K100 W124K92-L96 PolarHBondContact O-N 2.88Å; I93-L96 PolarHBondContact O-N 3.09Å; Y94-L96 PolarHBondContact O-N 2.93Å; L96-E99 PolarHBondContact O-N 3.31Å; L96-K100 HydrophobicContact CD1-CD 4.28Å; L96-K100 HydrophobicContact CD1-CG 4.25Å; L96-K100 HydrophobicContact CG-CD 4.32Å; L96-K100 WeakPolarHBondContact O-CB 3.39Å; L96-K100 WeakPolarHBondContact O-CG 3.34Å; L96-K100 PolarHBondContact O-N 3.38Å; L96-W124 HydrophobicContact CD2-CE3 4.01Å; L96-W124 HydrophobicContact CD2-CZ3 3.77Å
97V97.9Very high97.2Very high6 Ų664.1 Ų64.14%0.03631%0.311CS..Hα-helixtrans-67.3-41.3-176.2173.20000111.2I93 Y94 K95 K100 E101 Y106 I117 A120I93-V97 HydrophobicContact CG2-CG2 4.34Å; I93-V97 VanDerWaalsContact O-CG2 3.3Å; I93-V97 WeakPolarHBondContact O-CG2 3.5Å; I93-V97 PolarHBondContact O-N 3.46Å; Y94-V97 PolarHBondContact O-N 3.11Å; K95-V97 PolarHBondContact O-N 3.43Å; V97-K100 PolarHBondContact O-N 3.45Å; V97-E101 WeakPolarHBondContact O-CB 3.26Å; V97-E101 PolarHBondContact O-N 3.34Å; V97-Y106 HydrophobicContact CG1-CE2 4.38Å; V97-I117 HydrophobicContact CB-CD1 3.88Å; V97-I117 HydrophobicContact CG1-CD1 3.8Å; V97-I117 HydrophobicContact CG2-CD1 3.58Å; V97-A120 HydrophobicContact CG2-CB 3.92Å
98I97.9Very high97Very high108 Ų10867.5 Ų67.555%0.55435%0.347SS*.Hα-helixtrans-62.4-43.1176.3-68.1164.8000110.8Y94 K95 E101 R102Y94-I98 WeakPolarHBondContact O-CB 3.49Å; Y94-I98 WeakPolarHBondContact O-CD1 3.19Å; Y94-I98 WeakPolarHBondContact O-CG1 3.47Å; Y94-I98 PolarHBondContact O-N 3.46Å; K95-I98 PolarHBondContact O-N 2.76Å; I98-E101 PolarHBondContact O-N 3.25Å; I98-R102 PolarHBondContact O-N 3.31Å; I98-R102 VanDerWaalsContact O-N 3.1Å
99E97.5Very high96.9Very high103 Ų10374.5 Ų74.548%0.48138%0.377SS..Hα-helixtrans-64.3-43.6176.6-73.8174.1178.200111.9K95 L96 R102 T103K95-E99 WeakPolarHBondContact CE-OE1 3.35Å; K95-E99 WeakPolarHBondContact O-CB 3.43Å; K95-E99 WeakPolarHBondContact O-CG 3.39Å; K95-E99 PolarHBondContact O-N 2.91Å; L96-E99 PolarHBondContact O-N 3.31Å; E99-R102 PolarHBondContact O-N 3.2Å; E99-T103 PolarHBondContact O-N 2.93Å; E99-T103 PolarHBondContact O-OG1 3.16Å; E99-T103 VanDerWaalsContact O-OG1 3.06Å
100K97.6Very high96.8Very high41 Ų4180 Ų8018%0.17841%0.411CS..Hα-helixtrans-63.7-40.1176.1-76-173.5166-169.60113L96 V97 R102 T103 G104 E105 Y106 E123L96-K100 HydrophobicContact CD1-CD 4.28Å; L96-K100 HydrophobicContact CD1-CG 4.25Å; L96-K100 HydrophobicContact CG-CD 4.32Å; L96-K100 WeakPolarHBondContact O-CB 3.39Å; L96-K100 WeakPolarHBondContact O-CG 3.34Å; L96-K100 PolarHBondContact O-N 3.38Å; V97-K100 PolarHBondContact O-N 3.45Å; K100-R102 VanDerWaalsContact C-N 3.31Å; K100-R102 PolarHBondContact O-N 3.08Å; K100-T103 PolarHBondContact O-N 3.44Å; K100-G104 PolarHBondContact O-N 2.94Å; K100-G104 VanDerWaalsContact O-N 3.11Å; K100-E105 HydrophobicContact CB-CB 4.32Å; K100-E105 HydrophobicContact CB-CG 4.49Å; K100-E105 WeakPolarHBondContact CD-OE2 3.37Å; K100-E105 VanDerWaalsContact CE-OE2 3.27Å; K100-E105 WeakPolarHBondContact CE-OE2 3.47Å; K100-E105 WeakPolarHBondContact CG-OE2 3.46Å; K100-E105 IonicContact NZ-OE2 2.84Å; K100-E105 PolarHBondContact O-N 3.07Å; K100-E105 VanDerWaalsContact O-N 3.08Å; K100-Y106 HydrophobicContact CB-CE2 3.65Å; K100-E123 IonicContact NZ-OE2 3.06Å
101E97.5Very high96.8Very high104 Ų10481 Ų8149%0.48642%0.417SS..Hα-helixtrans-58.9-46.1174.2-175-165.9159.100110.5V97 I98 T103 G104 Y106 V111V97-E101 WeakPolarHBondContact O-CB 3.26Å; V97-E101 PolarHBondContact O-N 3.34Å; I98-E101 PolarHBondContact O-N 3.25Å; E101-T103 PolarHBondContact O-N 3.43Å; E101-G104 PolarHBondContact O-N 3.11Å; E101-G104 VanDerWaalsContact O-N 3.1Å; E101-Y106 HydrophobicContact CB-CD2 4.29Å; E101-Y106 HydrophobicContact CB-CE2 4.43Å; E101-V111 HydrophobicContact CG-CG1 4.47Å; E101-V111 HydrophobicContact CG-CG2 4.24Å; E101-V111 WeakPolarHBondContact OE2-CG2 3.48Å
102R96.4Very high96.8Very high230 Ų23086.7 Ų86.787%0.86844%0.442SS*.Hα-helixtrans-68.2-34.8-178.7-166.167.2-161.7164.62113.4I98 E99 K100 G104I98-R102 PolarHBondContact O-N 3.31Å; I98-R102 VanDerWaalsContact O-N 3.1Å; E99-R102 PolarHBondContact O-N 3.2Å; K100-R102 VanDerWaalsContact C-N 3.31Å; K100-R102 PolarHBondContact O-N 3.08Å; R102-G104 PolarHBondContact O-N 3.31Å
103T96.8Very high96.8Very high111 Ų11188.5 Ų88.568%0.68146%0.456SS*.Hα-helixtrans-69.5-21.6173.7-57.70000112.3E99 K100 E101 E105E99-T103 PolarHBondContact O-N 2.93Å; E99-T103 PolarHBondContact O-OG1 3.16Å; E99-T103 VanDerWaalsContact O-OG1 3.06Å; K100-T103 PolarHBondContact O-N 3.44Å; E101-T103 PolarHBondContact O-N 3.43Å; T103-E105 HydrophobicContact CG2-CG 4.38Å
104G95.9Very high96.8Very high38 Ų3891.7 Ų91.739%0.39248%0.475SS..THydrogen-bonded Turntrans92.120.2178.700000114.6K100 E101 R102 Y106 L107K100-G104 PolarHBondContact O-N 2.94Å; K100-G104 VanDerWaalsContact O-N 3.11Å; E101-G104 PolarHBondContact O-N 3.11Å; E101-G104 VanDerWaalsContact O-N 3.1Å; R102-G104 PolarHBondContact O-N 3.31Å; G104-Y106 PolarHBondContact O-N 3.33Å; G104-L107 PolarHBondContact O-N 3.3Å; G104-L107 VanDerWaalsContact O-N 3.15Å
105E97Very high96.7Very high112 Ų11290.1 Ų90.152%0.52348%0.475SS..THydrogen-bonded Turntrans-65.1-23.5-177.5-68.2-171.2-163.300113.4K100 T103 L107K100-E105 HydrophobicContact CB-CB 4.32Å; K100-E105 HydrophobicContact CB-CG 4.49Å; K100-E105 WeakPolarHBondContact CD-OE2 3.37Å; K100-E105 VanDerWaalsContact CE-OE2 3.27Å; K100-E105 WeakPolarHBondContact CE-OE2 3.47Å; K100-E105 WeakPolarHBondContact CG-OE2 3.46Å; K100-E105 IonicContact NZ-OE2 2.84Å; K100-E105 PolarHBondContact O-N 3.07Å; K100-E105 VanDerWaalsContact O-N 3.08Å; T103-E105 HydrophobicContact CG2-CG 4.38Å; E105-L107 VanDerWaalsContact C-N 3.27Å; E105-L107 PolarHBondContact O-N 2.86Å
106Y96.7Very high96.7Very high48 Ų4887.1 Ų87.119%0.18846%0.463CS..THydrogen-bonded Turntrans-89.218.8177.2-55.6-71.6000113.5V97 K100 E101 G104 G108 K109 V111 H116V97-Y106 HydrophobicContact CG1-CE2 4.38Å; K100-Y106 HydrophobicContact CB-CE2 3.65Å; E101-Y106 HydrophobicContact CB-CD2 4.29Å; E101-Y106 HydrophobicContact CB-CE2 4.43Å; G104-Y106 PolarHBondContact O-N 3.33Å; Y106-G108 PolarHBondContact O-N 3.23Å; Y106-G108 VanDerWaalsContact O-N 3.17Å; Y106-K109 WeakPolarHBondContact O-CB 3.5Å; Y106-K109 PolarHBondContact O-N 3.35Å; Y106-V111 HydrophobicContact CD1-CG1 4.27Å; Y106-V111 HydrophobicContact CD2-CG1 3.36Å; Y106-V111 HydrophobicContact CE2-CG1 3.77Å; Y106-V111 HydrophobicContact CG-CG1 3.64Å; Y106-H116 AromaticContact CD1-CD2 3.84Å
107L95.6Very high96.8Very high151 Ų15185.4 Ų85.479%0.79145%0.454SS*.THydrogen-bonded Turntrans55.631.8-179.6-54.8175.3000113.3G104 E105 K109G104-L107 PolarHBondContact O-N 3.3Å; G104-L107 VanDerWaalsContact O-N 3.15Å; E105-L107 VanDerWaalsContact C-N 3.27Å; E105-L107 PolarHBondContact O-N 2.86Å; L107-K109 PolarHBondContact O-N 3.46Å
108G93.3Very high96.8Very high75 Ų7585.1 Ų85.177%0.77345%0.452SS*.THydrogen-bonded Turntrans69.18.3-177.700000115.3Y106Y106-G108 PolarHBondContact O-N 3.23Å; Y106-G108 VanDerWaalsContact O-N 3.17Å
109K95.4Very high96.8Very high147 Ų14782.6 Ų82.664%0.63944%0.44SS*.PPolyproline II helixtrans-71.5151.4174.2-64.4-179-179.8177.60110.8Y106 L107 V111Y106-K109 WeakPolarHBondContact O-CB 3.5Å; Y106-K109 PolarHBondContact O-N 3.35Å; L107-K109 PolarHBondContact O-N 3.46Å; K109-V111 PolarHBondContact O-N 3Å
110T95.8Very high96.8Very high115 Ų11577.9 Ų77.971%0.70642%0.418SS*.PPolyproline II helixtrans-64122.1173.5-51.20000110.7
111V96.5Very high96.9Very high31 Ų3176 Ų7619%0.18841%0.41CS..PPolyproline II helixtrans-82.1149173-62.30000110.9E101 Y106 K109 H116E101-V111 HydrophobicContact CG-CG1 4.47Å; E101-V111 HydrophobicContact CG-CG2 4.24Å; E101-V111 WeakPolarHBondContact OE2-CG2 3.48Å; Y106-V111 HydrophobicContact CD1-CG1 4.27Å; Y106-V111 HydrophobicContact CD2-CG1 3.36Å; Y106-V111 HydrophobicContact CE2-CG1 3.77Å; Y106-V111 HydrophobicContact CG-CG1 3.64Å; K109-V111 PolarHBondContact O-N 3Å; V111-H116 HydrophobicContact CB-CB 4.37Å
112Q97.3Very high96.9Very high128 Ų12871.4 Ų71.460%0.59839%0.389SS*.  trans-144165-177.8-64.6-174.821.900109.8V114 H116Q112-V114 VanDerWaalsContact C-N 3.29Å; Q112-V114 WeakPolarHBondContact CB-O 3.34Å; Q112-V114 PolarHBondContact O-N 2.89Å; Q112-H116 PolarHBondContact N-ND1 3.47Å; Q112-H116 WeakPolarHBondContact O-CB 3.41Å; Q112-H116 PolarHBondContact O-N 2.84Å; Q112-H116 PolarHBondContact O-ND1 3.25Å
113V97.5Very high97Very high73 Ų7365 Ų6544%0.44237%0.369SS..Iπ-helixtrans-56.2-45.7176.1-179.50000111.2I117 T118 P157V113-I117 HydrophobicContact CG1-CB 4.44Å; V113-I117 VanDerWaalsContact O-CB 3.28Å; V113-I117 WeakPolarHBondContact O-CB 3.47Å; V113-I117 PolarHBondContact O-N 3.42Å; V113-I117 VanDerWaalsContact O-N 3.13Å; V113-T118 PolarHBondContact O-N 3.41Å; V113-P157 HydrophobicContact CG1-CB 4.32Å; V113-P157 HydrophobicContact CG1-CG 4.4Å
114V97.3Very high97Very high67 Ų6760.7 Ų60.741%0.40634%0.34SS..Iπ-helixtrans-112.4128.1172.9-176.90000108.8Q112 T118 E160Q112-V114 VanDerWaalsContact C-N 3.29Å; Q112-V114 WeakPolarHBondContact CB-O 3.34Å; Q112-V114 PolarHBondContact O-N 2.89Å; V114-T118 HydrophobicContact CG2-CG2 4.22Å; V114-E160 HydrophobicContact CG2-CG 4Å
115P96.7Very high97.1Very high56 Ų5658.9 Ų58.936%0.36432%0.321SS..Iπ-helixcis-92.8-7.5037.6-36.8000114.4I117 T118 D119P115-I117 PolarHBondContact O-N 3.45Å; P115-T118 WeakPolarHBondContact CA-OG1 3.48Å; P115-T118 PolarHBondContact O-N 2.84Å; P115-T118 VanDerWaalsContact O-N 3.16Å; P115-T118 PolarHBondContact O-OG1 2.96Å; P115-D119 VanDerWaalsContact O-CB 3.32Å; P115-D119 WeakPolarHBondContact O-CB 3.44Å; P115-D119 PolarHBondContact O-N 3.08Å
116H98Very high97.1Very high37 Ų3755.6 Ų55.617%0.17131%0.306CS..Iπ-helixtrans-64.5-40.1-163.6-48.480.8000114.4Y106 V111 Q112 A120Y106-H116 AromaticContact CD1-CD2 3.84Å; V111-H116 HydrophobicContact CB-CB 4.37Å; Q112-H116 PolarHBondContact N-ND1 3.47Å; Q112-H116 WeakPolarHBondContact O-CB 3.41Å; Q112-H116 PolarHBondContact O-N 2.84Å; Q112-H116 PolarHBondContact O-ND1 3.25Å; H116-A120 WeakPolarHBondContact O-CB 3.43Å; H116-A120 PolarHBondContact O-N 3.13Å
117I98.2Very high97Very high13 Ų1358.5 Ų58.57%0.06732%0.317CS..Iπ-helixtrans-72.9-42.1175.1-58.4-58.7000110.2I93 Y94 V97 V113 P115 D119 A120 I121 P157I93-I117 HydrophobicContact CG2-CG2 3.93Å; Y94-I117 HydrophobicContact CD1-CD1 3.9Å; Y94-I117 HydrophobicContact CE1-CD1 4.06Å; Y94-I117 HydrophobicContact CE1-CG1 4.25Å; Y94-I117 HydrophobicContact CE1-CG2 4Å; V97-I117 HydrophobicContact CB-CD1 3.88Å; V97-I117 HydrophobicContact CG1-CD1 3.8Å; V97-I117 HydrophobicContact CG2-CD1 3.58Å; V113-I117 HydrophobicContact CG1-CB 4.44Å; V113-I117 VanDerWaalsContact O-CB 3.28Å; V113-I117 WeakPolarHBondContact O-CB 3.47Å; V113-I117 PolarHBondContact O-N 3.42Å; V113-I117 VanDerWaalsContact O-N 3.13Å; P115-I117 PolarHBondContact O-N 3.45Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.42Å; I117-A120 PolarHBondContact O-N 3.43Å; I117-I121 HydrophobicContact CG2-CD1 3.98Å; I117-I121 WeakPolarHBondContact O-CG1 3.25Å; I117-I121 PolarHBondContact O-N 3.39Å; I117-P157 HydrophobicContact CG2-CB 4.41Å
118T98.2Very high97Very high0 Ų051.5 Ų51.50%028%0.28CS..Hα-helixtrans-64.9-35.8-179.852.90000112.4V113 V114 P115 Q122 E160 A161 Q164V113-T118 PolarHBondContact O-N 3.41Å; V114-T118 HydrophobicContact CG2-CG2 4.22Å; P115-T118 WeakPolarHBondContact CA-OG1 3.48Å; P115-T118 PolarHBondContact O-N 2.84Å; P115-T118 VanDerWaalsContact O-N 3.16Å; P115-T118 PolarHBondContact O-OG1 2.96Å; T118-Q122 VanDerWaalsContact O-CG 3.26Å; T118-Q122 WeakPolarHBondContact O-CG 3.45Å; T118-Q122 PolarHBondContact O-N 3.28Å; T118-Q122 VanDerWaalsContact O-N 3.15Å; T118-Q122 PolarHBondContact O-NE2 3.05Å; T118-Q122 VanDerWaalsContact O-NE2 3.15Å; T118-E160 HydrophobicContact CG2-CB 4.25Å; T118-E160 HydrophobicContact CG2-CG 3.96Å; T118-A161 HydrophobicContact CG2-CB 4.07Å; T118-Q164 PolarHBondContact OG1-OE1 3.29Å
119D98Very high97.2Very high54 Ų5448 Ų4829%0.28924%0.243SC..Hα-helixtrans-69-44.7175.2-70.1-15.8000110.7P115 I117 I121 Q122 E123P115-D119 VanDerWaalsContact O-CB 3.32Å; P115-D119 WeakPolarHBondContact O-CB 3.44Å; P115-D119 PolarHBondContact O-N 3.08Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.42Å; D119-I121 VanDerWaalsContact C-N 3.28Å; D119-I121 PolarHBondContact O-N 2.99Å; D119-Q122 PolarHBondContact O-N 2.91Å; D119-Q122 VanDerWaalsContact O-N 3.13Å; D119-E123 WeakPolarHBondContact O-CB 3.2Å; D119-E123 WeakPolarHBondContact O-CG 3.36Å; D119-E123 PolarHBondContact O-N 2.9Å
120A98.1Very high97.1Very high4 Ų445 Ų453%0.03323%0.232CC..Hα-helixtrans-59-38.9176.700000112.4I93 V97 H116 I117 W124I93-A120 HydrophobicContact CG2-CB 4.23Å; V97-A120 HydrophobicContact CG2-CB 3.92Å; H116-A120 WeakPolarHBondContact O-CB 3.43Å; H116-A120 PolarHBondContact O-N 3.13Å; I117-A120 PolarHBondContact O-N 3.43Å; A120-W124 WeakPolarHBondContact O-CB 3.37Å; A120-W124 PolarHBondContact O-N 2.66Å; A120-W124 VanDerWaalsContact O-N 3.09Å
121I98.4Very high97Very high2 Ų242.7 Ų42.71%0.0122%0.218CC..Hα-helixtrans-64.9-47.4174.6-66.6161.2000110.7I93 I117 D119 W124 V125 F158 A161I93-I121 HydrophobicContact CD1-CG1 4.24Å; I93-I121 HydrophobicContact CG1-CG1 4.08Å; I93-I121 HydrophobicContact CG2-CG1 4.17Å; I117-I121 HydrophobicContact CG2-CD1 3.98Å; I117-I121 WeakPolarHBondContact O-CG1 3.25Å; I117-I121 PolarHBondContact O-N 3.39Å; D119-I121 VanDerWaalsContact C-N 3.28Å; D119-I121 PolarHBondContact O-N 2.99Å; I121-W124 WeakPolarHBondContact O-CB 3.26Å; I121-W124 PolarHBondContact O-N 2.98Å; I121-V125 WeakPolarHBondContact O-CG2 3.31Å; I121-V125 PolarHBondContact O-N 3.48Å; I121-F158 HydrophobicContact CD1-CD1 3.61Å; I121-F158 HydrophobicContact CD1-CE1 3.83Å; I121-F158 HydrophobicContact CG1-CD1 4.24Å; I121-F158 HydrophobicContact CG1-CE1 4.21Å; I121-F158 HydrophobicContact CG2-CD1 4.35Å; I121-A161 HydrophobicContact CB-CB 3.94Å; I121-A161 HydrophobicContact CD1-CB 3.98Å; I121-A161 HydrophobicContact CG2-CB 3.84Å
122Q98Very high96.8Very high7 Ų743.4 Ų43.43%0.03322%0.223CC..Hα-helixtrans-62.2-46.2180-70.9173.163.100112T118 D119 W124 V125 E126 F165T118-Q122 VanDerWaalsContact O-CG 3.26Å; T118-Q122 WeakPolarHBondContact O-CG 3.45Å; T118-Q122 PolarHBondContact O-N 3.28Å; T118-Q122 VanDerWaalsContact O-N 3.15Å; T118-Q122 PolarHBondContact O-NE2 3.05Å; T118-Q122 VanDerWaalsContact O-NE2 3.15Å; D119-Q122 PolarHBondContact O-N 2.91Å; D119-Q122 VanDerWaalsContact O-N 3.13Å; Q122-W124 VanDerWaalsContact C-N 3.27Å; Q122-W124 PolarHBondContact O-N 2.92Å; Q122-V125 PolarHBondContact O-N 3.23Å; Q122-E126 PolarHBondContact O-N 2.77Å; Q122-F165 HydrophobicContact CB-CD2 4.07Å; Q122-F165 HydrophobicContact CG-CB 4.08Å; Q122-F165 HydrophobicContact CG-CD2 3.81Å; Q122-F165 HydrophobicContact CG-CG 4.36Å
123E97.3Very high96.4Very high96 Ų9638 Ų3845%0.44920%0.199SC..Hα-helixtrans-58.5-40.2175.6-73.1176.3-176.100111.7K100 D119 R127K100-E123 IonicContact NZ-OE2 3.06Å; D119-E123 WeakPolarHBondContact O-CB 3.2Å; D119-E123 WeakPolarHBondContact O-CG 3.36Å; D119-E123 PolarHBondContact O-N 2.9Å; E123-R127 VanDerWaalsContact O-CB 3.29Å; E123-R127 WeakPolarHBondContact O-CB 3.44Å; E123-R127 PolarHBondContact O-N 3.02Å
124W98Very high95.4Very high21 Ų2137.2 Ų37.28%0.0819%0.19CC..Hα-helixtrans-62.2-50.4176.4-158.7-63.4000111.6D85 I88 K92 I93 L96 A120 I121 Q122 E126 R127 V128D85-W124 HydrophobicContact CB-CZ2 4.44Å; D85-W124 PolarHBondContact O-NE1 2.94Å; D85-W124 WeakPolarHBondContact OD1-CZ2 3.45Å; I88-W124 HydrophobicContact CD1-CB 4.21Å; I88-W124 VanDerWaalsContact CD1-CD1 3.42Å; I88-W124 HydrophobicContact CD1-CG 3.85Å; I88-W124 HydrophobicContact CG1-CG 4.16Å; K92-W124 HydrophobicContact CD-CH2 3.89Å; K92-W124 HydrophobicContact CD-CZ2 3.93Å; K92-W124 VanDerWaalsContact CE-CH2 3.41Å; K92-W124 HydrophobicContact CG-CH2 3.93Å; K92-W124 HydrophobicContact CG-CZ2 4.47Å; K92-W124 HydrophobicContact CG-CZ3 4.4Å; I93-W124 HydrophobicContact CD1-CD2 4.2Å; I93-W124 HydrophobicContact CD1-CE3 3.65Å; I93-W124 HydrophobicContact CD1-CZ3 4.26Å; L96-W124 HydrophobicContact CD2-CE3 4.01Å; L96-W124 HydrophobicContact CD2-CZ3 3.77Å; A120-W124 WeakPolarHBondContact O-CB 3.37Å; A120-W124 PolarHBondContact O-N 2.66Å; A120-W124 VanDerWaalsContact O-N 3.09Å; I121-W124 WeakPolarHBondContact O-CB 3.26Å; I121-W124 PolarHBondContact O-N 2.98Å; Q122-W124 VanDerWaalsContact C-N 3.27Å; Q122-W124 PolarHBondContact O-N 2.92Å; W124-E126 PolarHBondContact O-N 3Å; W124-R127 VanDerWaalsContact CE2-NH2 3.26Å; W124-R127 PolarHBondContact O-N 2.91Å; W124-V128 WeakPolarHBondContact O-CB 3.39Å; W124-V128 WeakPolarHBondContact O-CG2 3.41Å; W124-V128 PolarHBondContact O-N 2.97Å
125V97.9Very high94.5Very high0 Ų037.9 Ų37.90%021%0.21CC..Hα-helixtrans-62-43.9-179.8171.70000111Y3 I37 I88 I121 Q122 R127 A129 V144 F162 F165Y3-V125 HydrophobicContact CD1-CG1 4.06Å; Y3-V125 HydrophobicContact CE1-CG1 3.74Å; I37-V125 HydrophobicContact CD1-CG1 4.28Å; I88-V125 HydrophobicContact CD1-CG2 4.09Å; I121-V125 WeakPolarHBondContact O-CG2 3.31Å; I121-V125 PolarHBondContact O-N 3.48Å; Q122-V125 PolarHBondContact O-N 3.23Å; V125-R127 PolarHBondContact O-N 3.24Å; V125-A129 WeakPolarHBondContact O-CB 3.4Å; V125-A129 PolarHBondContact O-N 2.83Å; V125-V144 HydrophobicContact CG1-CG2 4.42Å; V125-F162 HydrophobicContact CG2-CE1 4.32Å; V125-F162 HydrophobicContact CG2-CZ 4.15Å; V125-F165 HydrophobicContact CG1-CZ 4.31Å
126E95.9Very high93.5Very high43 Ų4340.8 Ų40.820%0.20123%0.232CC..Hα-helixtrans-62.9-41.7177-73.8-170.817400112.5Q122 W124 Q130 F165 R168Q122-E126 PolarHBondContact O-N 2.77Å; W124-E126 PolarHBondContact O-N 3Å; E126-Q130 WeakPolarHBondContact O-CG 3.35Å; E126-Q130 PolarHBondContact O-NE2 3.12Å; E126-F165 HydrophobicContact CG-CE2 3.7Å; E126-F165 HydrophobicContact CG-CZ 4.18Å; E126-R168 IonicContact OE1-CZ 2.73Å; E126-R168 IonicContact OE1-NE 2.85Å; E126-R168 PolarHBondContact OE1-NE 3.48Å; E126-R168 IonicContact OE1-NH2 3.96Å; E126-R168 PolarHBondContact OE1-NH2 3.3Å; E126-R168 IonicContact OE2-CZ 3.85Å; E126-R168 IonicContact OE2-NE 3.84Å; E126-R168 IonicContact OE2-NH2 3.32Å; E126-R168 PolarHBondContact OE2-NH2 3.49Å
127R96.4Very high93Very high109 Ų10941.5 Ų41.541%0.41124%0.241SC..Hα-helixtrans-66.4-52.9179.5178.7175.657.683.90.7111.3D85 E123 W124 V125 Q130 T131D85-R127 IonicContact OD2-CZ 2.77Å; D85-R127 IonicContact OD2-NH1 3.7Å; D85-R127 PolarHBondContact OD2-NH1 3.49Å; D85-R127 IonicContact OD2-NH2 2.81Å; E123-R127 VanDerWaalsContact O-CB 3.29Å; E123-R127 WeakPolarHBondContact O-CB 3.44Å; E123-R127 PolarHBondContact O-N 3.02Å; W124-R127 VanDerWaalsContact CE2-NH2 3.26Å; W124-R127 PolarHBondContact O-N 2.91Å; V125-R127 PolarHBondContact O-N 3.24Å; R127-Q130 PolarHBondContact O-N 2.93Å; R127-T131 PolarHBondContact O-OG1 3.06Å
128V95.9Very high92.7Very high4 Ų446.4 Ų46.42%0.02426%0.262CS..Hα-helixtrans-70-36.9-173.2176.40000112I37 D85 W124 Q130 T131I37-V128 HydrophobicContact CD1-CB 3.91Å; I37-V128 HydrophobicContact CD1-CG1 3.88Å; I37-V128 HydrophobicContact CG1-CG1 3.96Å; D85-V128 HydrophobicContact CB-CG2 3.75Å; W124-V128 WeakPolarHBondContact O-CB 3.39Å; W124-V128 WeakPolarHBondContact O-CG2 3.41Å; W124-V128 PolarHBondContact O-N 2.97Å; V128-Q130 PolarHBondContact O-N 3.36Å; V128-Q130 VanDerWaalsContact O-N 3.15Å; V128-T131 PolarHBondContact O-N 3.17Å; V128-T131 VanDerWaalsContact O-N 3.12Å
129A96.3Very high92.6Very high0 Ų046.7 Ų46.70%026%0.264CS..Hα-helixtrans-58.6-30.917700000112.1M1 Y3 V125 C142M1-A129 VanDerWaalsContact CE-C 3.41Å; M1-A129 HydrophobicContact CE-CB 4Å; M1-A129 WeakPolarHBondContact CE-O 3.45Å; M1-A129 HydrophobicContact CG-CB 4.13Å; M1-A129 HydrophobicContact SD-CB 4.19Å; Y3-A129 HydrophobicContact CE1-CB 3.64Å; V125-A129 WeakPolarHBondContact O-CB 3.4Å; V125-A129 PolarHBondContact O-N 2.83Å; A129-C142 HydrophobicContact CB-CB 3.83Å
130Q94Very high92.5Very high86 Ų8648.1 Ų48.140%0.40227%0.269SS..Hα-helixtrans-83.5-15.4-177.9-61.6-178.855.400113.8M1 E126 R127 V128 K138M1-Q130 HydrophobicContact CE-CG 4.27Å; E126-Q130 WeakPolarHBondContact O-CG 3.35Å; E126-Q130 PolarHBondContact O-NE2 3.12Å; R127-Q130 PolarHBondContact O-N 2.93Å; V128-Q130 PolarHBondContact O-N 3.36Å; V128-Q130 VanDerWaalsContact O-N 3.15Å; Q130-K138 VanDerWaalsContact CG-CE 3.47Å
131T93.9Very high92.4Very high66 Ų6648 Ų4841%0.40527%0.267SS..SBendtrans-77.8129.9178.9-55.20000110.1R127 V128 V133R127-T131 PolarHBondContact O-OG1 3.06Å; V128-T131 PolarHBondContact O-N 3.17Å; V128-T131 VanDerWaalsContact O-N 3.12Å; T131-V133 PolarHBondContact O-N 3.18Å
132P91.8Very high92.4Very high46 Ų4647.9 Ų47.930%0.29927%0.267SS..  trans-63.5134.6176.125.6-33.3000111.2S137P132-S137 WeakPolarHBondContact CB-O 3.34Å
133V88.3Confident92.4Very high14 Ų1447.5 Ų47.59%0.08527%0.265CS..SBendtrans-100.3-10.7172-68.30000112.8T35 V80 T81 L82 T131T35-V133 VanDerWaalsContact OG1-CG1 3.24Å; T35-V133 WeakPolarHBondContact OG1-CG1 3.43Å; V80-V133 HydrophobicContact CB-CB 4.41Å; V80-V133 HydrophobicContact CB-CG2 4.12Å; V80-V133 HydrophobicContact CG1-CG2 3.95Å; T81-V133 WeakPolarHBondContact O-CB 3.49Å; L82-V133 HydrophobicContact CD2-CG1 4.17Å; T131-V133 PolarHBondContact O-N 3.18Å
134Q76.4Confident92.4Very high57 Ų5743 Ų4327%0.26624%0.244SC..SBendtrans-146.7131.4175.6-74.1175.6-11.400108.2D79 V80D79-Q134 PolarHBondContact O-NE2 2.78Å; V80-Q134 VanDerWaalsContact CA-NE2 3.31Å; V80-Q134 HydrophobicContact CB-CG 4.28Å; V80-Q134 HydrophobicContact CG1-CG 4.06Å; V80-Q134 VanDerWaalsContact CG1-NE2 3.29Å
135G78.9Confident92.4Very high80 Ų8042 Ų4283%0.82524%0.241SC*.THydrogen-bonded Turntrans58.4-140179.400000112.5
136S76Confident92.4Very high117 Ų11742.3 Ų42.382%0.81824%0.242SC*.THydrogen-bonded Turntrans-118.50.3-17755.50000114
137S86.9Confident92.3Very high53 Ų5340.4 Ų40.437%0.37123%0.234SC..PPolyproline II helixtrans-82.2134.9-176.250.90000112.2D33 P132D33-S137 WeakPolarHBondContact OD2-CB 3.44Å; D33-S137 PolarHBondContact OD2-OG 3.17Å; P132-S137 WeakPolarHBondContact CB-O 3.34Å
138K93Very high92.1Very high115 Ų11536.2 Ų36.250%0.523%0.225SC..PPolyproline II helixtrans-64.8127.5173.1-177.5174-173.3163.10109.8M1 Q130M1-K138 HydrophobicContact CE-CG 4.43Å; Q130-K138 VanDerWaalsContact CG-CE 3.47Å
139P95.2Very high92Very high6 Ų637.3 Ų37.34%0.03923%0.231CC..PPolyproline II helixtrans-58.3148.7175.5-23.934000112.2M1 T35M1-P139 HydrophobicContact CE-CB 4.32Å; M1-P139 WeakPolarHBondContact CE-O 3.43Å; T35-P139 HydrophobicContact CG2-CB 3.84Å; T35-P139 HydrophobicContact CG2-CG 3.98Å
140Q95.3Very high91.9Very high85 Ų8538 Ų3840%0.39724%0.235SC..SBendtrans-95.6-34.1177.3-67.4166.9-78.500111.4M1 K2 D33M1-Q140 CarbonylContact C-O 3.52Å; M1-Q140 WeakPolarHBondContact CA-O 3.48Å; K2-Q140 PolarHBondContact N-O 3.49Å; D33-Q140 PolarHBondContact O-N 3.43Å
141V97Very high91.9Very high0 Ų035.8 Ų35.80%024%0.235CC..EExtended strand (participates in β ladder)trans-127134.2180-170.80000110.3K2 I4 L27 L32 D33 V34 T35 I143 L271K2-V141 HydrophobicContact CB-CG1 4.44Å; K2-V141 HydrophobicContact CB-CG2 4.26Å; K2-V141 CarbonylContact O-C 3.59Å; K2-V141 WeakPolarHBondContact O-CA 3.2Å; I4-V141 HydrophobicContact CD1-CG1 4.02Å; I4-V141 HydrophobicContact CG1-CG1 4.13Å; L27-V141 HydrophobicContact CD1-CB 4.25Å; L27-V141 HydrophobicContact CD1-CG1 3.82Å; L27-V141 HydrophobicContact CD1-CG2 4.23Å; L32-V141 HydrophobicContact CD1-CG2 4.25Å; D33-V141 PolarHBondContact O-N 3.24Å; V34-V141 WeakPolarHBondContact CA-O 3.49Å; T35-V141 PolarHBondContact N-O 2.9Å; V141-I143 HydrophobicContact CG1-CD1 4.15Å; V141-L271 HydrophobicContact CG2-CD2 3.97Å
142C97.8Very high91.9Very high0 Ų036.1 Ų36.10%023%0.234CC..EExtended strand (participates in β ladder)trans-111.6120.5172177.80000109.1M1 K2 Y3 I4 T35 A129M1-C142 HydrophobicContact SD-CB 4.2Å; K2-C142 PolarHBondContact O-N 2.66Å; Y3-C142 WeakPolarHBondContact CA-O 3.43Å; Y3-C142 HydrophobicContact CD1-CB 3.83Å; Y3-C142 HydrophobicContact CE1-CB 4.07Å; I4-C142 PolarHBondContact N-O 3.31Å; T35-C142 HydrophobicContact CG2-CB 3.71Å; T35-C142 WeakPolarHBondContact O-CA 3.48Å; A129-C142 HydrophobicContact CB-CB 3.83Å
143I98Very high92.2Very high0 Ų040.6 Ų40.60%025%0.254CS..EExtended strand (participates in β ladder)trans-86.7122.4169.8-49.9-56.1000107.3I4 V6 A20 F23 L27 V34 T35 S36 I37 V141I4-I143 HydrophobicContact CB-CD1 3.85Å; I4-I143 HydrophobicContact CD1-CD1 3.77Å; I4-I143 HydrophobicContact CG1-CD1 4.15Å; I4-I143 HydrophobicContact CG2-CD1 4.46Å; V6-I143 HydrophobicContact CG2-CG2 4.33Å; A20-I143 HydrophobicContact CB-CG2 3.87Å; F23-I143 HydrophobicContact CB-CD1 4.2Å; L27-I143 HydrophobicContact CD1-CD1 4.46Å; V34-I143 HydrophobicContact CG1-CD1 4.37Å; V34-I143 HydrophobicContact CG1-CG1 3.72Å; T35-I143 PolarHBondContact O-N 3.09Å; S36-I143 CarbonylContact C-O 3.51Å; S36-I143 VanDerWaalsContact CA-O 3.28Å; S36-I143 WeakPolarHBondContact CA-O 3.43Å; I37-I143 PolarHBondContact N-O 3.37Å; V141-I143 HydrophobicContact CG1-CD1 4.15Å
144V98.1Very high92.5Very high1 Ų144.8 Ų44.81%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-112.9117.7176.4-174.80000107.9I4 L5 V6 I37 I39 V125 F162I4-V144 PolarHBondContact O-N 3.32Å; L5-V144 CarbonylContact C-O 3.37Å; L5-V144 WeakPolarHBondContact CA-O 3.45Å; L5-V144 HydrophobicContact CD1-CB 4.03Å; L5-V144 HydrophobicContact CD1-CG1 3.84Å; V6-V144 PolarHBondContact N-O 3.24Å; I37-V144 HydrophobicContact CB-CG2 4.4Å; I37-V144 CarbonylContact O-C 3.53Å; I37-V144 VanDerWaalsContact O-CA 3.3Å; I37-V144 WeakPolarHBondContact O-CA 3.49Å; I39-V144 HydrophobicContact CD1-CG1 3.76Å; I39-V144 HydrophobicContact CG1-CG1 4.37Å; V125-V144 HydrophobicContact CG1-CG2 4.42Å; V144-F162 HydrophobicContact CG1-CE1 4.33Å; V144-F162 HydrophobicContact CG1-CE2 4.32Å; V144-F162 HydrophobicContact CG1-CZ 3.68Å
145E97.6Very high93.4Very high1 Ų142.4 Ų42.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-99.4122.3171.2-178.5-166173.600109.8K16 A20 I37 K38 I39 Y74K16-E145 HydrophobicContact CB-CG 4.27Å; K16-E145 WeakPolarHBondContact CB-OE1 3.48Å; K16-E145 VanDerWaalsContact CE-OE1 3.31Å; K16-E145 WeakPolarHBondContact CE-OE1 3.48Å; A20-E145 HydrophobicContact CB-CB 4.45Å; I37-E145 PolarHBondContact O-N 3.49Å; K38-E145 HydrophobicContact CD-CB 3.92Å; K38-E145 HydrophobicContact CD-CG 3.9Å; K38-E145 VanDerWaalsContact CD-OE2 3.3Å; K38-E145 WeakPolarHBondContact CD-OE2 3.43Å; K38-E145 WeakPolarHBondContact CE-OE1 3.41Å; K38-E145 WeakPolarHBondContact CE-OE2 3Å; I39-E145 PolarHBondContact N-O 3.46Å; Y74-E145 WeakPolarHBondContact CE2-OE2 3.3Å; Y74-E145 WeakPolarHBondContact OH-CB 3.35Å; Y74-E145 VanDerWaalsContact OH-CD 3.31Å; Y74-E145 PolarHBondContact OH-OE2 3.04Å
146L96.9Very high94.3Very high5 Ų543.9 Ų43.93%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-88.5109166.4-177.359.7000109.2L5 V6 T7 K16 I39 I150 F158 V159L5-L146 HydrophobicContact CD1-CB 4.27Å; V6-L146 PolarHBondContact O-N 3Å; T7-L146 HydrophobicContact CG2-CB 4.28Å; T7-L146 HydrophobicContact CG2-CD2 4.18Å; K16-L146 WeakPolarHBondContact CE-O 3.37Å; I39-L146 HydrophobicContact CB-CD1 4Å; I39-L146 HydrophobicContact CG2-CD1 3.59Å; L146-I150 HydrophobicContact CD2-CD1 4.2Å; L146-F158 HydrophobicContact CD1-CB 3.58Å; L146-F158 HydrophobicContact CD1-CD2 4.17Å; L146-F158 HydrophobicContact CD1-CG 3.94Å; L146-F158 HydrophobicContact CD2-CB 4.37Å; L146-V159 HydrophobicContact CD2-CG2 3.83Å
147G94Very high95.4Very high4 Ų439.1 Ų39.14%0.04122%0.217CC..  trans-61.9172.1172.800000112.9I39I39-G147 WeakPolarHBondContact O-CA 3.47Å; I39-G147 PolarHBondContact O-N 2.98Å
148G92Very high95.9Very high20 Ų2036.8 Ų36.821%0.20620%0.2CC..SBendtrans70.7-156.9-175.400000113.8K16K16-G148 PolarHBondContact NZ-O 3.35Å
149T94.4Very high96.1Very high27 Ų2731.6 Ų31.617%0.16618%0.178CC..  trans-118.4166.9173.9780000110.8D152T149-D152 PolarHBondContact N-OD2 3.31Å; T149-D152 VanDerWaalsContact OG1-CG 3.23Å; T149-D152 PolarHBondContact OG1-OD1 3.43Å; T149-D152 PolarHBondContact OG1-OD2 3.27Å
150I94.8Very high96.3Very high16 Ų1633.6 Ų33.68%0.08219%0.187CC..THydrogen-bonded Turntrans-88.1131.2174.3-70.2-72.4000109T7 G8 L146 V159 E202 L203T7-I150 HydrophobicContact CG2-CD1 4.34Å; G8-I150 WeakPolarHBondContact O-CB 3.22Å; G8-I150 WeakPolarHBondContact O-CG1 3.43Å; G8-I150 PolarHBondContact O-N 3.37Å; L146-I150 HydrophobicContact CD2-CD1 4.2Å; I150-V159 HydrophobicContact CD1-CG2 3.46Å; I150-V159 VanDerWaalsContact CD1-CG2 3.46Å; I150-E202 HydrophobicContact CG2-CB 4.13Å; I150-E202 HydrophobicContact CG2-CG 3.84Å; I150-L203 HydrophobicContact CD1-CD1 3.95Å; I150-L203 HydrophobicContact CG1-CD1 4.19Å; I150-L203 HydrophobicContact CG2-CB 4.26Å; I150-L203 HydrophobicContact CG2-CD1 4.47Å
151G93.3Very high96.4Very high39 Ų3929.5 Ų29.540%0.40217%0.168SC..THydrogen-bonded Turntrans110.4-11.6-177.300000113.7
152D94.9Very high96.5Very high73 Ų7329.7 Ų29.739%0.3917%0.169SC..  trans-75.6146.3175-60.5-33.6000111.4T149 E154 G155 M156T149-D152 PolarHBondContact N-OD2 3.31Å; T149-D152 VanDerWaalsContact OG1-CG 3.23Å; T149-D152 PolarHBondContact OG1-OD1 3.43Å; T149-D152 PolarHBondContact OG1-OD2 3.27Å; D152-E154 PolarHBondContact O-N 3.04Å; D152-G155 PolarHBondContact O-N 3.16Å; D152-M156 PolarHBondContact O-N 3.48Å
153I96.9Very high96.5Very high140 Ų14033 Ų3372%0.71818%0.181SC*.G310 helixtrans-57.5-40.7178.9-62.6173.2000110.8G155 M156I153-G155 PolarHBondContact O-N 3.09Å; I153-M156 HydrophobicContact CG1-CE 4.31Å; I153-M156 PolarHBondContact O-N 3.08Å
154E96.1Very high96.5Very high102 Ų10234.9 Ų34.948%0.47719%0.19SC..G310 helixtrans-63.9-28.3-180-55.2177.2174.600112.6P41 D152P41-E154 HydrophobicContact CB-CB 3.72Å; D152-E154 PolarHBondContact O-N 3.04Å
155G95.1Very high96.5Very high7 Ų734.9 Ų34.97%0.07219%0.19CC..G310 helixtrans-81.4-20.1179.700000114.2D152 I153 F158 V159D152-G155 PolarHBondContact O-N 3.16Å; I153-G155 PolarHBondContact O-N 3.09Å; G155-F158 PolarHBondContact O-N 3.07Å; G155-V159 WeakPolarHBondContact O-CG2 3.39Å; G155-V159 PolarHBondContact O-N 3.32Å
156M97.5Very high96.4Very high110 Ų11036.8 Ų36.854%0.54220%0.198SC..Hα-helixtrans-55.7-46.5-173-63.7-179.2177.600113.6D152 I153 F158 V159 E160D152-M156 PolarHBondContact O-N 3.48Å; I153-M156 HydrophobicContact CG1-CE 4.31Å; I153-M156 PolarHBondContact O-N 3.08Å; M156-F158 VanDerWaalsContact C-N 3.31Å; M156-F158 PolarHBondContact O-N 2.82Å; M156-V159 PolarHBondContact O-N 2.87Å; M156-E160 WeakPolarHBondContact O-CB 3.39Å; M156-E160 PolarHBondContact O-N 3.15Å; M156-E160 VanDerWaalsContact O-N 3.1Å
157P97.8Very high96.3Very high17 Ų1743.4 Ų43.411%0.1123%0.228CC..Hα-helixtrans-63.1-36.5-179.8-2234.8000113.1V113 I117 A161V113-P157 HydrophobicContact CG1-CB 4.32Å; V113-P157 HydrophobicContact CG1-CG 4.4Å; I117-P157 HydrophobicContact CG2-CB 4.41Å; P157-A161 WeakPolarHBondContact O-CB 3.48Å; P157-A161 PolarHBondContact O-N 3.45Å
158F98.2Very high96.4Very high4 Ų449.3 Ų49.32%0.01825%0.248CC..Hα-helixtrans-74-42.1-178.6-61.1-68.5000112.3I39 P41 I88 T90 I121 L146 G155 M156 E160 A161 F162I39-F158 HydrophobicContact CG2-CB 4.45Å; I39-F158 HydrophobicContact CG2-CD1 3.37Å; I39-F158 HydrophobicContact CG2-CD2 4Å; I39-F158 HydrophobicContact CG2-CE1 3.41Å; I39-F158 VanDerWaalsContact CG2-CE1 3.41Å; I39-F158 HydrophobicContact CG2-CE2 4.04Å; I39-F158 HydrophobicContact CG2-CG 3.67Å; I39-F158 HydrophobicContact CG2-CZ 3.74Å; P41-F158 HydrophobicContact CB-CE2 4.36Å; I88-F158 HydrophobicContact CG2-CE1 4.41Å; T90-F158 WeakPolarHBondContact OG1-CE2 3.4Å; T90-F158 WeakPolarHBondContact OG1-CZ 3.33Å; I121-F158 HydrophobicContact CD1-CD1 3.61Å; I121-F158 HydrophobicContact CD1-CE1 3.83Å; I121-F158 HydrophobicContact CG1-CD1 4.24Å; I121-F158 HydrophobicContact CG1-CE1 4.21Å; I121-F158 HydrophobicContact CG2-CD1 4.35Å; L146-F158 HydrophobicContact CD1-CB 3.58Å; L146-F158 HydrophobicContact CD1-CD2 4.17Å; L146-F158 HydrophobicContact CD1-CG 3.94Å; L146-F158 HydrophobicContact CD2-CB 4.37Å; G155-F158 PolarHBondContact O-N 3.07Å; M156-F158 VanDerWaalsContact C-N 3.31Å; M156-F158 PolarHBondContact O-N 2.82Å; F158-E160 VanDerWaalsContact C-N 3.33Å; F158-A161 WeakPolarHBondContact O-CB 3.46Å; F158-A161 PolarHBondContact O-N 3.43Å; F158-F162 WeakPolarHBondContact O-CD2 3.49Å; F158-F162 PolarHBondContact O-N 3.36Å
159V98Very high96.4Very high7 Ų749.3 Ų49.34%0.04224%0.244CC..Hα-helixtrans-63.5-42.9177.1179.90000110.3L146 I150 G155 M156 A161 F162 R163 C206 L208L146-V159 HydrophobicContact CD2-CG2 3.83Å; I150-V159 HydrophobicContact CD1-CG2 3.46Å; I150-V159 VanDerWaalsContact CD1-CG2 3.46Å; G155-V159 WeakPolarHBondContact O-CG2 3.39Å; G155-V159 PolarHBondContact O-N 3.32Å; M156-V159 PolarHBondContact O-N 2.87Å; V159-A161 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 3.07Å; V159-F162 PolarHBondContact O-N 2.99Å; V159-R163 WeakPolarHBondContact O-CB 3.37Å; V159-R163 PolarHBondContact O-N 3.2Å; V159-C206 HydrophobicContact CG1-CB 3.34Å; V159-L208 HydrophobicContact CG1-CD1 3.84Å; V159-L208 HydrophobicContact CG1-CG 4.34Å
160E98.3Very high96.4Very high47 Ų4754.6 Ų54.622%0.2227%0.265CS..Hα-helixtrans-64.1-38.7175.4-179.754.6-152.900112V114 T118 M156 F158 F162 R163 Q164V114-E160 HydrophobicContact CG2-CG 4Å; T118-E160 HydrophobicContact CG2-CB 4.25Å; T118-E160 HydrophobicContact CG2-CG 3.96Å; M156-E160 WeakPolarHBondContact O-CB 3.39Å; M156-E160 PolarHBondContact O-N 3.15Å; M156-E160 VanDerWaalsContact O-N 3.1Å; F158-E160 VanDerWaalsContact C-N 3.33Å; E160-F162 PolarHBondContact O-N 3.4Å; E160-R163 VanDerWaalsContact CD-NE 3.3Å; E160-R163 WeakPolarHBondContact O-CB 3.47Å; E160-R163 PolarHBondContact O-N 3.38Å; E160-R163 IonicContact OE1-CZ 3.14Å; E160-R163 IonicContact OE1-NE 3.65Å; E160-R163 PolarHBondContact OE1-NE 3.09Å; E160-R163 IonicContact OE1-NH2 2.7Å; E160-R163 PolarHBondContact OE1-NH2 3.35Å; E160-R163 WeakPolarHBondContact OE2-CD 3.32Å; E160-R163 IonicContact OE2-CZ 2.76Å; E160-R163 IonicContact OE2-NE 2.65Å; E160-R163 PolarHBondContact OE2-NE 3.12Å; E160-R163 IonicContact OE2-NH2 3.15Å; E160-Q164 PolarHBondContact O-N 3.06Å; E160-Q164 VanDerWaalsContact O-N 3.16Å; E160-Q164 PolarHBondContact OE1-NE2 2.57Å
161A98.3Very high96.4Very high0 Ų063 Ų630%030%0.296CS..Hα-helixtrans-59.8-45.4174.100000112T118 I121 P157 F158 V159 Q164 F165T118-A161 HydrophobicContact CG2-CB 4.07Å; I121-A161 HydrophobicContact CB-CB 3.94Å; I121-A161 HydrophobicContact CD1-CB 3.98Å; I121-A161 HydrophobicContact CG2-CB 3.84Å; P157-A161 WeakPolarHBondContact O-CB 3.48Å; P157-A161 PolarHBondContact O-N 3.45Å; F158-A161 WeakPolarHBondContact O-CB 3.46Å; F158-A161 PolarHBondContact O-N 3.43Å; V159-A161 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 3.07Å; A161-Q164 PolarHBondContact O-N 2.94Å; A161-F165 WeakPolarHBondContact O-CB 3.22Å; A161-F165 PolarHBondContact O-N 3.34Å
162F98.2Very high96.6Very high4 Ų463.4 Ų63.42%0.01829%0.287CS..Hα-helixtrans-73.4-28.7177.8-73.3-63.1000113.9L5 I39 V125 V144 F158 V159 E160 Q164 F165 Q166 F174 L208L5-F162 HydrophobicContact CD1-CD2 3.94Å; L5-F162 HydrophobicContact CD1-CE1 4.45Å; L5-F162 HydrophobicContact CD1-CE2 3.86Å; L5-F162 HydrophobicContact CD1-CG 4.3Å; L5-F162 HydrophobicContact CD1-CZ 4.15Å; L5-F162 HydrophobicContact CD2-CB 3.72Å; L5-F162 HydrophobicContact CD2-CD1 4.19Å; L5-F162 HydrophobicContact CD2-CD2 3.8Å; L5-F162 HydrophobicContact CD2-CG 3.62Å; I39-F162 HydrophobicContact CD1-CE2 3.35Å; I39-F162 HydrophobicContact CD1-CZ 3.43Å; I39-F162 VanDerWaalsContact CD1-CZ 3.43Å; V125-F162 HydrophobicContact CG2-CE1 4.32Å; V125-F162 HydrophobicContact CG2-CZ 4.15Å; V144-F162 HydrophobicContact CG1-CE1 4.33Å; V144-F162 HydrophobicContact CG1-CE2 4.32Å; V144-F162 HydrophobicContact CG1-CZ 3.68Å; F158-F162 WeakPolarHBondContact O-CD2 3.49Å; F158-F162 PolarHBondContact O-N 3.36Å; V159-F162 PolarHBondContact O-N 2.99Å; E160-F162 PolarHBondContact O-N 3.4Å; F162-Q164 VanDerWaalsContact C-N 3.27Å; F162-Q164 PolarHBondContact O-N 3.38Å; F162-F165 HydrophobicContact CD1-CB 4.21Å; F162-F165 HydrophobicContact CD1-CD1 4.15Å; F162-F165 HydrophobicContact CD1-CG 4.39Å; F162-F165 HydrophobicContact CE1-CD1 4.49Å; F162-F165 PolarHBondContact O-N 2.94Å; F162-Q166 PolarHBondContact O-N 2.92Å; F162-Q166 VanDerWaalsContact O-N 3.1Å; F162-F174 HydrophobicContact CB-CZ 4.43Å; F162-F174 HydrophobicContact CD1-CE2 4.12Å; F162-L208 HydrophobicContact CB-CD1 4.4Å
163R97.9Very high96.7Very high70 Ų7061.8 Ų61.826%0.26428%0.278SS..Hα-helixtrans-60.2-39.1171.6-170.8-156.166.573.6-0.2111.2V159 E160 Q166 F167 C206 L208V159-R163 WeakPolarHBondContact O-CB 3.37Å; V159-R163 PolarHBondContact O-N 3.2Å; E160-R163 VanDerWaalsContact CD-NE 3.3Å; E160-R163 WeakPolarHBondContact O-CB 3.47Å; E160-R163 PolarHBondContact O-N 3.38Å; E160-R163 IonicContact OE1-CZ 3.14Å; E160-R163 IonicContact OE1-NE 3.65Å; E160-R163 PolarHBondContact OE1-NE 3.09Å; E160-R163 IonicContact OE1-NH2 2.7Å; E160-R163 PolarHBondContact OE1-NH2 3.35Å; E160-R163 WeakPolarHBondContact OE2-CD 3.32Å; E160-R163 IonicContact OE2-CZ 2.76Å; E160-R163 IonicContact OE2-NE 2.65Å; E160-R163 PolarHBondContact OE2-NE 3.12Å; E160-R163 IonicContact OE2-NH2 3.15Å; R163-Q166 WeakPolarHBondContact O-CG 3.19Å; R163-Q166 PolarHBondContact O-NE2 3.32Å; R163-F167 WeakPolarHBondContact O-CD2 3.2Å; R163-F167 WeakPolarHBondContact O-CE2 3.1Å; R163-C206 WeakPolarHBondContact CD-O 3.5Å; R163-C206 WeakPolarHBondContact CG-O 3.4Å; R163-L208 HydrophobicContact CB-CD2 4.38Å
164Q97.7Very high96.8Very high39 Ų3955.4 Ų55.418%0.18225%0.246CC..Hα-helixtrans-75.8-41.7173.8-65.117414.900111.5T118 E160 A161 F162 Q166 F167 R168T118-Q164 PolarHBondContact OG1-OE1 3.29Å; E160-Q164 PolarHBondContact O-N 3.06Å; E160-Q164 VanDerWaalsContact O-N 3.16Å; E160-Q164 PolarHBondContact OE1-NE2 2.57Å; A161-Q164 PolarHBondContact O-N 2.94Å; F162-Q164 VanDerWaalsContact C-N 3.27Å; F162-Q164 PolarHBondContact O-N 3.38Å; Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 3.39Å; Q164-F167 PolarHBondContact O-N 3.02Å; Q164-R168 PolarHBondContact O-N 2.94Å
165F97.9Very high96.9Very high0 Ų050.5 Ų50.50%022%0.223CC..Hα-helixtrans-55.9-43-177.5-169.1-111000113.4Y3 Q122 V125 E126 A161 F162 F167 R168 V169 F174Y3-F165 HydrophobicContact CD1-CE1 4.06Å; Y3-F165 HydrophobicContact CD1-CZ 4.29Å; Y3-F165 AromaticContact CD2-CE1 3.71Å; Y3-F165 HydrophobicContact CD2-CE1 3.71Å; Y3-F165 AromaticContact CD2-CZ 3.99Å; Y3-F165 HydrophobicContact CD2-CZ 3.99Å; Y3-F165 HydrophobicContact CE1-CE1 4.26Å; Y3-F165 HydrophobicContact CE1-CZ 4.02Å; Y3-F165 AromaticContact CE2-CE1 3.94Å; Y3-F165 HydrophobicContact CE2-CE1 3.94Å; Y3-F165 AromaticContact CE2-CZ 3.71Å; Y3-F165 HydrophobicContact CE2-CZ 3.71Å; Y3-F165 AromaticContact CG-CE1 3.78Å; Y3-F165 HydrophobicContact CG-CE1 3.78Å; Y3-F165 HydrophobicContact CG-CZ 4.27Å; Y3-F165 AromaticContact CZ-CZ 3.71Å; Q122-F165 HydrophobicContact CB-CD2 4.07Å; Q122-F165 HydrophobicContact CG-CB 4.08Å; Q122-F165 HydrophobicContact CG-CD2 3.81Å; Q122-F165 HydrophobicContact CG-CG 4.36Å; V125-F165 HydrophobicContact CG1-CZ 4.31Å; E126-F165 HydrophobicContact CG-CE2 3.7Å; E126-F165 HydrophobicContact CG-CZ 4.18Å; A161-F165 WeakPolarHBondContact O-CB 3.22Å; A161-F165 PolarHBondContact O-N 3.34Å; F162-F165 HydrophobicContact CD1-CB 4.21Å; F162-F165 HydrophobicContact CD1-CD1 4.15Å; F162-F165 HydrophobicContact CD1-CG 4.39Å; F162-F165 HydrophobicContact CE1-CD1 4.49Å; F162-F165 PolarHBondContact O-N 2.94Å; F165-F167 PolarHBondContact O-N 2.86Å; F165-F167 VanDerWaalsContact O-N 3.1Å; F165-R168 PolarHBondContact O-N 2.95Å; F165-V169 HydrophobicContact CD1-CG2 4.5Å; F165-V169 HydrophobicContact CE1-CG1 4.03Å; F165-V169 HydrophobicContact CE1-CG2 4.39Å; F165-V169 HydrophobicContact CE2-CG1 4.09Å; F165-V169 HydrophobicContact CZ-CG1 3.76Å; F165-V169 WeakPolarHBondContact O-CG2 3.35Å; F165-V169 PolarHBondContact O-N 2.97Å; F165-F174 AromaticContact CD1-CD2 3.93Å; F165-F174 HydrophobicContact CD1-CD2 3.93Å; F165-F174 HydrophobicContact CD1-CE2 4.03Å; F165-F174 HydrophobicContact CE1-CD2 4.31Å
166Q95.7Very high97.1Very high41 Ų4150.2 Ų50.219%0.19222%0.219CC..Hα-helixtrans-60.4-19.3178.763.7172.5-16.300114.3F162 R163 Q164 V169 F174 G207F162-Q166 PolarHBondContact O-N 2.92Å; F162-Q166 VanDerWaalsContact O-N 3.1Å; R163-Q166 WeakPolarHBondContact O-CG 3.19Å; R163-Q166 PolarHBondContact O-NE2 3.32Å; Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 3.39Å; Q166-V169 CarbonylContact C-O 3.27Å; Q166-F174 HydrophobicContact CB-CB 4.47Å; Q166-F174 HydrophobicContact CB-CD1 3.8Å; Q166-F174 HydrophobicContact CB-CE1 4.11Å; Q166-F174 HydrophobicContact CB-CG 4.03Å; Q166-G207 PolarHBondContact NE2-O 2.93Å
167F96.1Very high97.1Very high145 Ų14545 Ų4564%0.63619%0.194SC*.Hα-helixtrans-94.6-27.7175.6-60-60.6000112.5R163 Q164 F165 V169R163-F167 WeakPolarHBondContact O-CD2 3.2Å; R163-F167 WeakPolarHBondContact O-CE2 3.1Å; Q164-F167 PolarHBondContact O-N 3.02Å; F165-F167 PolarHBondContact O-N 2.86Å; F165-F167 VanDerWaalsContact O-N 3.1Å; F167-V169 CarbonylContact C-O 3.53Å
168R94.4Very high97.1Very high127 Ų12744.1 Ų44.148%0.47919%0.188SC..Hα-helixtrans-69.6-38.5173.5179.7175.6167.3154.11.3111E126 Q164 F165E126-R168 IonicContact OE1-CZ 2.73Å; E126-R168 IonicContact OE1-NE 2.85Å; E126-R168 PolarHBondContact OE1-NE 3.48Å; E126-R168 IonicContact OE1-NH2 3.96Å; E126-R168 PolarHBondContact OE1-NH2 3.3Å; E126-R168 IonicContact OE2-CZ 3.85Å; E126-R168 IonicContact OE2-NE 3.84Å; E126-R168 IonicContact OE2-NH2 3.32Å; E126-R168 PolarHBondContact OE2-NH2 3.49Å; Q164-R168 PolarHBondContact O-N 2.94Å; F165-R168 PolarHBondContact O-N 2.95Å
169V93.5Very high97.1Very high20 Ų2044 Ų4412%0.12119%0.188CC..SBendtrans-90.9157.9167.8-53.70000110.2Y3 F165 Q166 F167 N173 F174Y3-V169 HydrophobicContact CE2-CG1 4.32Å; F165-V169 HydrophobicContact CD1-CG2 4.5Å; F165-V169 HydrophobicContact CE1-CG1 4.03Å; F165-V169 HydrophobicContact CE1-CG2 4.39Å; F165-V169 HydrophobicContact CE2-CG1 4.09Å; F165-V169 HydrophobicContact CZ-CG1 3.76Å; F165-V169 WeakPolarHBondContact O-CG2 3.35Å; F165-V169 PolarHBondContact O-N 2.97Å; Q166-V169 CarbonylContact C-O 3.27Å; F167-V169 CarbonylContact C-O 3.53Å; V169-N173 HydrophobicContact CB-CB 4.11Å; V169-N173 HydrophobicContact CG2-CB 4.2Å; V169-F174 HydrophobicContact CG2-CB 3.88Å
170K93.6Very high97Very high138 Ų13843.6 Ų43.660%0.619%0.185SC*.  trans-68.1155.8173.1-59.9-169.6177.2-177.10111.4E172 N173K170-E172 VanDerWaalsContact C-N 3.27Å; K170-E172 VanDerWaalsContact CB-CD 3.46Å; K170-E172 HydrophobicContact CB-CG 4.27Å; K170-E172 WeakPolarHBondContact CB-OE1 3.32Å; K170-E172 WeakPolarHBondContact CB-OE2 3.38Å; K170-E172 WeakPolarHBondContact CD-OE1 3.45Å; K170-E172 IonicContact NZ-OE1 3.93Å; K170-E172 PolarHBondContact O-N 3.3Å; K170-N173 WeakPolarHBondContact O-CA 3.46Å; K170-N173 WeakPolarHBondContact O-CB 3.25Å; K170-N173 PolarHBondContact O-N 3.28Å
171R95.4Very high96.9Very high192 Ų19243.3 Ų43.373%0.72519%0.185SC*.G310 helixtrans-52.5-44.1180-176.7178.1177.3163.7-0.3112.3N173 F174 R268R171-N173 PolarHBondContact O-N 3.24Å; R171-N173 VanDerWaalsContact O-N 3.15Å; R171-F174 PolarHBondContact O-N 3.49Å; R171-F174 VanDerWaalsContact O-O 3.1Å; R171-R268 PolarHBondContact O-NH1 3.42Å; R171-R268 PolarHBondContact O-NH2 3.05Å
172E97Very high96.9Very high48 Ų4843.4 Ų43.422%0.22419%0.186CC..G310 helixtrans-69.1-2.3177.766.1-92.5-15500114.5K2 K170 L269 Q270K2-E172 WeakPolarHBondContact CD-O 3.35Å; K2-E172 PolarHBondContact NZ-O 3.1Å; K170-E172 VanDerWaalsContact C-N 3.27Å; K170-E172 VanDerWaalsContact CB-CD 3.46Å; K170-E172 HydrophobicContact CB-CG 4.27Å; K170-E172 WeakPolarHBondContact CB-OE1 3.32Å; K170-E172 WeakPolarHBondContact CB-OE2 3.38Å; K170-E172 WeakPolarHBondContact CD-OE1 3.45Å; K170-E172 IonicContact NZ-OE1 3.93Å; K170-E172 PolarHBondContact O-N 3.3Å; E172-L269 CarbonylContact O-C 3.49Å; E172-L269 WeakPolarHBondContact O-CA 3.14Å; E172-Q270 HydrophobicContact CB-CG 4.38Å
173N97.7Very high96.7Very high39 Ų3945.1 Ų45.121%0.20920%0.197CC..G310 helixtrans-105.2-4.6177.9-64.6-27.6000113.3K2 Y3 V169 K170 R171K2-N173 CarbonylContact C-O 3.58Å; K2-N173 WeakPolarHBondContact CA-O 3.44Å; K2-N173 HydrophobicContact CD-CB 4.29Å; K2-N173 VanDerWaalsContact CD-OD1 3.32Å; K2-N173 WeakPolarHBondContact CD-OD1 3.21Å; K2-N173 WeakPolarHBondContact CE-OD1 3.38Å; K2-N173 PolarHBondContact NZ-OD1 3.41Å; Y3-N173 PolarHBondContact N-O 2.98Å; V169-N173 HydrophobicContact CB-CB 4.11Å; V169-N173 HydrophobicContact CG2-CB 4.2Å; K170-N173 WeakPolarHBondContact O-CA 3.46Å; K170-N173 WeakPolarHBondContact O-CB 3.25Å; K170-N173 PolarHBondContact O-N 3.28Å; R171-N173 PolarHBondContact O-N 3.24Å; R171-N173 VanDerWaalsContact O-N 3.15Å
174F98.3Very high96.6Very high6 Ų643.2 Ų43.23%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-131.2130.5-178.6-172.1-92.9000110.7Y3 L5 F162 F165 Q166 V169 R171 L176 R268Y3-F174 WeakPolarHBondContact O-CA 3.34Å; L5-F174 HydrophobicContact CB-CE2 4.05Å; L5-F174 HydrophobicContact CB-CZ 3.76Å; L5-F174 HydrophobicContact CD2-CE2 4.43Å; L5-F174 HydrophobicContact CD2-CZ 3.74Å; L5-F174 HydrophobicContact CG-CZ 4.4Å; F162-F174 HydrophobicContact CB-CZ 4.43Å; F162-F174 HydrophobicContact CD1-CE2 4.12Å; F165-F174 AromaticContact CD1-CD2 3.93Å; F165-F174 HydrophobicContact CD1-CD2 3.93Å; F165-F174 HydrophobicContact CD1-CE2 4.03Å; F165-F174 HydrophobicContact CE1-CD2 4.31Å; Q166-F174 HydrophobicContact CB-CB 4.47Å; Q166-F174 HydrophobicContact CB-CD1 3.8Å; Q166-F174 HydrophobicContact CB-CE1 4.11Å; Q166-F174 HydrophobicContact CB-CG 4.03Å; V169-F174 HydrophobicContact CG2-CB 3.88Å; R171-F174 PolarHBondContact O-N 3.49Å; R171-F174 VanDerWaalsContact O-O 3.1Å; F174-L176 HydrophobicContact CE1-CB 4.29Å; F174-R268 PolarHBondContact O-NH1 2.84Å; F174-R268 PolarHBondContact O-NH2 3.26Å
175C98.3Very high96.4Very high0 Ų043.8 Ų43.80%020%0.199CC..EExtended strand (participates in β ladder)trans-131.3139.3175.2179.80000109.8Y3 I4 L5 D211 L269Y3-C175 PolarHBondContact O-N 3.21Å; I4-C175 CarbonylContact C-O 3.42Å; I4-C175 WeakPolarHBondContact CA-O 3.46Å; I4-C175 HydrophobicContact CG1-CB 4.37Å; L5-C175 PolarHBondContact N-O 3.38Å; C175-D211 VanDerWaalsContact CA-OD2 3.24Å; C175-D211 WeakPolarHBondContact CA-OD2 3.38Å; C175-L269 HydrophobicContact CB-CD1 4.2Å; C175-L269 HydrophobicContact CB-CD2 3.77Å; C175-L269 HydrophobicContact CB-CG 4.14Å
176L98.4Very high96.2Very high0 Ų053 Ų530%024%0.239CC..EExtended strand (participates in β ladder)trans-116119.1179.2178.856.9000111.8L5 T7 F174 L203 L208 D211 L212L5-L176 HydrophobicContact CB-CD1 4Å; L5-L176 HydrophobicContact CD2-CD1 3.9Å; L5-L176 HydrophobicContact CG-CD1 3.86Å; L5-L176 CarbonylContact O-C 3.56Å; L5-L176 WeakPolarHBondContact O-CA 3.43Å; L5-L176 WeakPolarHBondContact O-CD1 3.43Å; T7-L176 HydrophobicContact CG2-CD1 3.77Å; F174-L176 HydrophobicContact CE1-CB 4.29Å; L176-L203 HydrophobicContact CD2-CD1 4.41Å; L176-L203 HydrophobicContact CD2-CD2 4Å; L176-L203 HydrophobicContact CD2-CG 4.41Å; L176-L208 HydrophobicContact CD2-CB 3.67Å; L176-L208 HydrophobicContact CD2-CD1 4.29Å; L176-L208 HydrophobicContact CD2-CG 4.43Å; L176-D211 PolarHBondContact N-OD2 3.29Å; L176-D211 WeakPolarHBondContact O-CA 3.42Å; L176-D211 WeakPolarHBondContact O-CB 3.18Å; L176-D211 PolarHBondContact O-N 3.22Å; L176-L212 PolarHBondContact O-N 3.4Å
177A98.1Very high96.2Very high0 Ų056 Ų560%027%0.271CS..EExtended strand (participates in β ladder)trans-105.8115.6170.500000110.2L5 V6 T7 F23 L212L5-A177 PolarHBondContact O-N 3.41Å; V6-A177 VanDerWaalsContact CA-O 3.31Å; V6-A177 WeakPolarHBondContact CA-O 3.49Å; V6-A177 HydrophobicContact CG2-CB 4.41Å; T7-A177 PolarHBondContact N-O 3.4Å; F23-A177 HydrophobicContact CE2-CB 3.77Å; F23-A177 HydrophobicContact CZ-CB 3.88Å; A177-L212 WeakPolarHBondContact CA-O 3.38Å; A177-L212 HydrophobicContact CB-CB 4.21Å
178H98.1Very high96Very high0 Ų052.8 Ų52.80%026%0.264CS..EExtended strand (participates in β ladder)trans-98.7119.6178-173.362.3000110.7T7 G8 G9 S199 L203 P210 L212 V214T7-H178 PolarHBondContact OG1-ND1 2.92Å; G8-H178 PolarHBondContact O-CE1 3.48Å; G8-H178 VanDerWaalsContact O-CE1 3.31Å; G9-H178 VanDerWaalsContact CA-CE1 3.43Å; G9-H178 WeakPolarHBondContact CA-CE1 3.34Å; H178-S199 PolarHBondContact NE2-OG 3.41Å; H178-L203 HydrophobicContact CB-CD2 3.94Å; H178-P210 HydrophobicContact CB-CB 3.94Å; H178-L212 PolarHBondContact N-O 3.34Å; H178-V214 PolarHBondContact O-N 3.07Å
179V97.7Very high95.8Very high0 Ų049.2 Ų49.20%027%0.266CS..EExtended strand (participates in β ladder)trans-96.7115.2-178.7-170.20000109.8V6 T7 G9 V14 I19 V214V6-V179 HydrophobicContact CG1-CG2 3.68Å; T7-V179 PolarHBondContact O-N 3.05Å; G9-V179 WeakPolarHBondContact CA-O 3.32Å; G9-V179 PolarHBondContact N-O 3.29Å; V14-V179 HydrophobicContact CG1-CB 4.34Å; V14-V179 HydrophobicContact CG1-CG1 3.76Å; V14-V179 HydrophobicContact CG2-CG1 4.27Å; I19-V179 HydrophobicContact CB-CG2 4.21Å; I19-V179 HydrophobicContact CG1-CG1 4.15Å; I19-V179 HydrophobicContact CG1-CG2 4.26Å; I19-V179 HydrophobicContact CG2-CG2 3.88Å; V179-V214 CarbonylContact C-O 3.54Å; V179-V214 WeakPolarHBondContact CA-O 3.48Å; V179-V214 HydrophobicContact CG1-CB 4.49Å; V179-V214 HydrophobicContact CG1-CG1 4.47Å; V179-V214 HydrophobicContact CG2-CB 4.27Å
180S97Very high95.7Very high0 Ų053.6 Ų53.60%029%0.285CS..EExtended strand (participates in β ladder)trans-124.3149.9-175.6-166.60000111.9T196 S199 V214 C215 R216S180-T196 VanDerWaalsContact OG-CA 3.26Å; S180-T196 WeakPolarHBondContact OG-CA 3.28Å; S180-T196 WeakPolarHBondContact OG-CB 3.33Å; S180-T196 WeakPolarHBondContact OG-CG2 3.5Å; S180-T196 PolarHBondContact OG-OG1 2.9Å; S180-S199 PolarHBondContact OG-OG 2.99Å; S180-V214 PolarHBondContact N-O 3.46Å; S180-C215 WeakPolarHBondContact O-CA 3.41Å; S180-R216 PolarHBondContact O-N 3.45Å
181L96.7Very high95.7Very high41 Ų4149.1 Ų49.122%0.21527%0.27CS..EExtended strand (participates in β ladder)trans-88.1129.6174.6-178.971.4000109.9V10 I11 V14 P183 T196V10-L181 HydrophobicContact CB-CB 4.2Å; V10-L181 HydrophobicContact CG2-CB 4.44Å; I11-L181 HydrophobicContact CD1-CD2 3.84Å; I11-L181 HydrophobicContact CG1-CB 4.43Å; I11-L181 HydrophobicContact CG1-CD2 4.13Å; I11-L181 HydrophobicContact CG2-CD2 4.37Å; V14-L181 HydrophobicContact CG2-CB 4.29Å; L181-P183 VanDerWaalsContact O-CD 3.29Å; L181-P183 WeakPolarHBondContact O-CD 3.3Å; L181-T196 PolarHBondContact O-OG1 3.31Å
182V96.4Very high95.7Very high1 Ų143.5 Ų43.51%0.00625%0.251CS..  trans-106.991.6167.4-178.10000107.8P191 C215 R216 I229V182-P191 HydrophobicContact CG1-CB 4.01Å; V182-C215 HydrophobicContact CG2-CB 3.72Å; V182-R216 PolarHBondContact N-O 3.07Å; V182-I229 HydrophobicContact CG2-CD1 4.26Å
183P95.2Very high95.6Very high40 Ų4041.3 Ų41.326%0.2624%0.241SC..  trans-68.6149.6-177.828-36000111.9L181 P185 K192 P195L181-P183 VanDerWaalsContact O-CD 3.29Å; L181-P183 WeakPolarHBondContact O-CD 3.3Å; P183-P185 WeakPolarHBondContact O-CD 3.44Å; P183-K192 WeakPolarHBondContact CD-O 3.44Å; P183-K192 HydrophobicContact CG-CB 4.48Å; P183-K192 PolarHBondContact O-N 3.13Å; P183-P195 HydrophobicContact CG-CG 4.07Å
184L94.7Very high95.6Very high30 Ų3045.2 Ų45.216%0.15726%0.256CS..  trans-119.685.5175.2-17275.4000109.4K186 G189 P191 K219L184-K186 PolarHBondContact O-N 3.11Å; L184-K186 VanDerWaalsContact O-N 3.12Å; L184-G189 WeakPolarHBondContact CD1-O 3.29Å; L184-P191 HydrophobicContact CD1-CB 4.1Å; L184-K219 HydrophobicContact CD2-CD 4.18Å
185P93.8Very high95.5Very high52 Ų5246.9 Ų46.934%0.33827%0.267SS..  trans-60.6120.2-179.3-21.232.6000111P183 A187 T188 G189 K192P183-P185 WeakPolarHBondContact O-CD 3.44Å; P185-A187 PolarHBondContact O-N 3.42Å; P185-T188 PolarHBondContact O-N 3.42Å; P185-T188 PolarHBondContact O-OG1 3.27Å; P185-G189 PolarHBondContact O-N 3.46Å; P185-K192 HydrophobicContact CG-CG 4.1Å
186K94.4Very high95.4Very high193 Ų19346.9 Ų46.984%0.83927%0.267SS*.THydrogen-bonded Turntrans-54.6-28.7-179.4-64.3-176.4-178.6179.20113.4L184 T188L184-K186 PolarHBondContact O-N 3.11Å; L184-K186 VanDerWaalsContact O-N 3.12Å; K186-T188 VanDerWaalsContact C-N 3.32Å; K186-T188 PolarHBondContact O-N 3.12Å
187A95.2Very high95.4Very high103 Ų10348.1 Ų48.185%0.85127%0.273SS*.THydrogen-bonded Turntrans-69-25.6177.800000114P185P185-A187 PolarHBondContact O-N 3.42Å
188T92.9Very high95.3Very high79 Ų7951 Ų5149%0.48529%0.293SS..THydrogen-bonded Turntrans-114.4-28.5-176.262.20000113.5P185 K186 E190P185-T188 PolarHBondContact O-N 3.42Å; P185-T188 PolarHBondContact O-OG1 3.27Å; K186-T188 VanDerWaalsContact C-N 3.32Å; K186-T188 PolarHBondContact O-N 3.12Å; T188-E190 PolarHBondContact O-N 2.96Å
189G89.9Confident95.2Very high52 Ų5251.5 Ų51.554%0.53630%0.297SS..  trans711.7-176.400000115.2L184 P185L184-G189 WeakPolarHBondContact CD1-O 3.29Å; P185-G189 PolarHBondContact O-N 3.46Å
190E90.7Very high95.2Very high112 Ų11251.5 Ų51.552%0.52330%0.297SS..SBendtrans-102.7131.3-178.7-69.8-176.517300112.2T188 K192T188-E190 PolarHBondContact O-N 2.96Å; E190-K192 PolarHBondContact O-N 2.73Å; E190-K192 IonicContact OE2-NZ 2.94Å; E190-K192 PolarHBondContact OE2-NZ 3.21Å
191P94.3Very high95.3Very high44 Ų4459.5 Ų59.529%0.28633%0.327SS..  trans-66.7121.817725.9-33000110.7V182 L184 V225V182-P191 HydrophobicContact CG1-CB 4.01Å; L184-P191 HydrophobicContact CD1-CB 4.1Å; P191-V225 HydrophobicContact CB-CG2 4.43Å; P191-V225 HydrophobicContact CG-CG2 3.58Å
192K94.9Very high95.3Very high74 Ų7461.5 Ų61.532%0.32234%0.335SS..  trans-99.7110.4-175.9-61.1-55.3-177.1-175.90111.1P183 P185 E190 K194P183-K192 WeakPolarHBondContact CD-O 3.44Å; P183-K192 HydrophobicContact CG-CB 4.48Å; P183-K192 PolarHBondContact O-N 3.13Å; P185-K192 HydrophobicContact CG-CG 4.1Å; E190-K192 PolarHBondContact O-N 2.73Å; E190-K192 IonicContact OE2-NZ 2.94Å; E190-K192 PolarHBondContact OE2-NZ 3.21Å; K192-K194 PolarHBondContact O-N 3Å
193T96Very high95.3Very high2 Ų261.4 Ų61.41%0.01234%0.335CS..  trans-84-4.6-179.3640000114.5T196 Q197 V225 K228 I229T193-T196 WeakPolarHBondContact O-CB 3.44Å; T193-T196 PolarHBondContact O-N 3.27Å; T193-Q197 WeakPolarHBondContact O-CG 3.49Å; T193-Q197 PolarHBondContact O-N 2.84Å; T193-Q197 VanDerWaalsContact O-N 3.15Å; T193-Q197 PolarHBondContact OG1-NE2 3.02Å; T193-Q197 VanDerWaalsContact OG1-NE2 3.14Å; T193-V225 HydrophobicContact CG2-CG1 3.42Å; T193-V225 VanDerWaalsContact CG2-CG1 3.42Å; T193-K228 HydrophobicContact CG2-CD 4.47Å; T193-K228 WeakPolarHBondContact OG1-CE 3.25Å; T193-I229 HydrophobicContact CG2-CD1 3.89Å; T193-I229 HydrophobicContact CG2-CG1 3.73Å
194K96.5Very high95.4Very high121 Ų12163.8 Ų63.853%0.52634%0.339SS..Hα-helixtrans-59.3-41.9-173.5-73.7-73.8169.4-164.20113.6K192 T196 Q197 S198K192-K194 PolarHBondContact O-N 3Å; K194-T196 VanDerWaalsContact C-N 3.33Å; K194-T196 PolarHBondContact O-N 3.01Å; K194-Q197 WeakPolarHBondContact O-CB 3.27Å; K194-Q197 PolarHBondContact O-N 3.24Å; K194-S198 PolarHBondContact O-N 3.26Å; K194-S198 VanDerWaalsContact O-N 3.15Å
195P96.3Very high95.5Very high40 Ų4065.6 Ų65.626%0.2637%0.365SS..Hα-helixtrans-58.7-41.9174.8-27.638.4000113.2V10 P183 Q197 S198 S199V10-P195 HydrophobicContact CB-CB 4.32Å; V10-P195 HydrophobicContact CG1-CB 3.8Å; V10-P195 HydrophobicContact CG2-CB 3.49Å; V10-P195 VanDerWaalsContact CG2-CB 3.49Å; P183-P195 HydrophobicContact CG-CG 4.07Å; P195-Q197 VanDerWaalsContact C-N 3.33Å; P195-Q197 PolarHBondContact O-N 2.94Å; P195-S198 PolarHBondContact O-N 3.05Å; P195-S199 PolarHBondContact O-N 3.48Å
196T97Very high95.6Very high0 Ų065.1 Ų65.10%036%0.362CS..Hα-helixtrans-61.7-38.4175.3-51.40000113S180 L181 T193 K194 S199 V200 I213S180-T196 VanDerWaalsContact OG-CA 3.26Å; S180-T196 WeakPolarHBondContact OG-CA 3.28Å; S180-T196 WeakPolarHBondContact OG-CB 3.33Å; S180-T196 WeakPolarHBondContact OG-CG2 3.5Å; S180-T196 PolarHBondContact OG-OG1 2.9Å; L181-T196 PolarHBondContact O-OG1 3.31Å; T193-T196 WeakPolarHBondContact O-CB 3.44Å; T193-T196 PolarHBondContact O-N 3.27Å; K194-T196 VanDerWaalsContact C-N 3.33Å; K194-T196 PolarHBondContact O-N 3.01Å; T196-S199 PolarHBondContact O-N 3.23Å; T196-S199 PolarHBondContact O-OG 3.35Å; T196-S199 VanDerWaalsContact O-OG 3.13Å; T196-V200 HydrophobicContact CG2-CG2 4.47Å; T196-V200 WeakPolarHBondContact O-CB 3.27Å; T196-V200 WeakPolarHBondContact O-CG2 3.33Å; T196-V200 PolarHBondContact O-N 3.39Å; T196-I213 HydrophobicContact CG2-CG2 4.18Å
197Q96.7Very high95.7Very high26 Ų2657.5 Ų57.512%0.12134%0.338CS..Hα-helixtrans-63.8-43.5177.1-64.2173.1700111.3T193 K194 P195 R201 F232T193-Q197 WeakPolarHBondContact O-CG 3.49Å; T193-Q197 PolarHBondContact O-N 2.84Å; T193-Q197 VanDerWaalsContact O-N 3.15Å; T193-Q197 PolarHBondContact OG1-NE2 3.02Å; T193-Q197 VanDerWaalsContact OG1-NE2 3.14Å; K194-Q197 WeakPolarHBondContact O-CB 3.27Å; K194-Q197 PolarHBondContact O-N 3.24Å; P195-Q197 VanDerWaalsContact C-N 3.33Å; P195-Q197 PolarHBondContact O-N 2.94Å; Q197-R201 WeakPolarHBondContact O-CB 3.07Å; Q197-R201 PolarHBondContact O-N 3.29Å; Q197-R201 VanDerWaalsContact O-N 3.08Å; Q197-F232 HydrophobicContact CG-CB 3.8Å; Q197-F232 HydrophobicContact CG-CG 4.27Å
198S96.9Very high95.8Very high61 Ų6152.6 Ų52.643%0.42730%0.298SS..Hα-helixtrans-66.4-43.7176.5-63.80000112.1K194 P195 V200 R201 E202K194-S198 PolarHBondContact O-N 3.26Å; K194-S198 VanDerWaalsContact O-N 3.15Å; P195-S198 PolarHBondContact O-N 3.05Å; S198-V200 PolarHBondContact O-N 3.46Å; S198-R201 WeakPolarHBondContact O-CB 3.19Å; S198-R201 PolarHBondContact O-N 3.09Å; S198-E202 PolarHBondContact O-N 3.04Å
199S96.9Very high96Very high11 Ų1152.5 Ų52.58%0.07730%0.301CS..Hα-helixtrans-64.3-41.1-179.375.70000112.1H178 S180 P195 T196 R201 E202 L203H178-S199 PolarHBondContact NE2-OG 3.41Å; S180-S199 PolarHBondContact OG-OG 2.99Å; P195-S199 PolarHBondContact O-N 3.48Å; T196-S199 PolarHBondContact O-N 3.23Å; T196-S199 PolarHBondContact O-OG 3.35Å; T196-S199 VanDerWaalsContact O-OG 3.13Å; S199-R201 VanDerWaalsContact C-N 3.35Å; S199-E202 PolarHBondContact O-N 2.96Å; S199-L203 PolarHBondContact O-N 3.35Å
200V97.6Very high96.4Very high0 Ų050.5 Ų50.50%028%0.278CS..Hα-helixtrans-69.5-32.2175.8172.30000112T196 S198 R204 P210 I213 C233T196-V200 HydrophobicContact CG2-CG2 4.47Å; T196-V200 WeakPolarHBondContact O-CB 3.27Å; T196-V200 WeakPolarHBondContact O-CG2 3.33Å; T196-V200 PolarHBondContact O-N 3.39Å; S198-V200 PolarHBondContact O-N 3.46Å; V200-R204 HydrophobicContact CG1-CG 4.43Å; V200-R204 WeakPolarHBondContact O-CB 3.49Å; V200-R204 WeakPolarHBondContact O-CG 3.42Å; V200-R204 PolarHBondContact O-N 2.97Å; V200-P210 HydrophobicContact CG1-CG 4.05Å; V200-I213 HydrophobicContact CG2-CD1 4.22Å; V200-C233 HydrophobicContact CB-CB 4.48Å; V200-C233 HydrophobicContact CG1-CB 3.97Å; V200-C233 HydrophobicContact CG2-CB 4.4Å
201R97.5Very high96.8Very high167 Ų16746.2 Ų46.263%0.6326%0.259SS*.Hα-helixtrans-64.3-43.1173.1-175.8-179.965.9-1720.3111.1Q197 S198 S199 R204 G205Q197-R201 WeakPolarHBondContact O-CB 3.07Å; Q197-R201 PolarHBondContact O-N 3.29Å; Q197-R201 VanDerWaalsContact O-N 3.08Å; S198-R201 WeakPolarHBondContact O-CB 3.19Å; S198-R201 PolarHBondContact O-N 3.09Å; S199-R201 VanDerWaalsContact C-N 3.35Å; R201-R204 PolarHBondContact O-N 3.5Å; R201-G205 PolarHBondContact O-N 2.82Å
202E97.1Very high97Very high83 Ų8344.3 Ų44.339%0.38825%0.246SC..Hα-helixtrans-62.1-50.4176.7-168.761.5-157.800111.2I150 S198 S199 R204 G205 C206I150-E202 HydrophobicContact CG2-CB 4.13Å; I150-E202 HydrophobicContact CG2-CG 3.84Å; S198-E202 PolarHBondContact O-N 3.04Å; S199-E202 PolarHBondContact O-N 2.96Å; E202-R204 VanDerWaalsContact C-N 3.3Å; E202-R204 PolarHBondContact O-N 2.84Å; E202-G205 WeakPolarHBondContact O-CA 3.33Å; E202-G205 PolarHBondContact O-N 2.94Å; E202-C206 PolarHBondContact O-N 3.2Å; E202-C206 VanDerWaalsContact O-N 3.11Å; E202-C206 PolarHBondContact O-SG 3.34Å
203L97.5Very high97.1Very high0 Ų040.8 Ų40.80%023%0.231CC..Hα-helixtrans-55.1-44.2177.4-176.667.3000112.6I150 L176 H178 S199 C206 L208 P210I150-L203 HydrophobicContact CD1-CD1 3.95Å; I150-L203 HydrophobicContact CG1-CD1 4.19Å; I150-L203 HydrophobicContact CG2-CB 4.26Å; I150-L203 HydrophobicContact CG2-CD1 4.47Å; L176-L203 HydrophobicContact CD2-CD1 4.41Å; L176-L203 HydrophobicContact CD2-CD2 4Å; L176-L203 HydrophobicContact CD2-CG 4.41Å; H178-L203 HydrophobicContact CB-CD2 3.94Å; S199-L203 PolarHBondContact O-N 3.35Å; L203-C206 PolarHBondContact O-N 3.43Å; L203-L208 CarbonylContact C-O 3.55Å; L203-L208 HydrophobicContact CD1-CB 3.89Å; L203-L208 HydrophobicContact CD1-CD1 4.09Å; L203-L208 HydrophobicContact CG-CB 4.07Å; L203-L208 PolarHBondContact O-N 2.89Å; L203-P210 HydrophobicContact CD2-CB 4.29Å; L203-P210 HydrophobicContact CD2-CG 4.41Å
204R97.5Very high97.2Very high90 Ų9040.7 Ų40.734%0.3423%0.23SC..Hα-helixtrans-69.7-33.2175.6-73.2-171.2-62.5148.6-4.7112.9V200 R201 E202 C206 G207 L208 H234V200-R204 HydrophobicContact CG1-CG 4.43Å; V200-R204 WeakPolarHBondContact O-CB 3.49Å; V200-R204 WeakPolarHBondContact O-CG 3.42Å; V200-R204 PolarHBondContact O-N 2.97Å; R201-R204 PolarHBondContact O-N 3.5Å; E202-R204 VanDerWaalsContact C-N 3.3Å; E202-R204 PolarHBondContact O-N 2.84Å; R204-C206 PolarHBondContact O-N 3.29Å; R204-G207 PolarHBondContact O-N 3.49Å; R204-L208 VanDerWaalsContact CA-O 3.25Å; R204-L208 WeakPolarHBondContact CA-O 3.47Å; R204-L208 WeakPolarHBondContact CG-O 3.4Å; R204-L208 PolarHBondContact N-O 3Å; R204-H234 PolarHBondContact NH1-ND1 2.91Å; R204-H234 PolarHBondContact NH2-ND1 3.41Å
205G97.1Very high97.2Very high68 Ų6834.9 Ų34.970%0.70121%0.205SC*.Hα-helixtrans-59-31.6172.500000112.5R201 E202 G207R201-G205 PolarHBondContact O-N 2.82Å; E202-G205 WeakPolarHBondContact O-CA 3.33Å; E202-G205 PolarHBondContact O-N 2.94Å; G205-G207 VanDerWaalsContact C-N 3.3Å
206C95.7Very high97.2Very high41 Ų4135.8 Ų35.828%0.27720%0.203SC..THydrogen-bonded Turntrans-85.15.3173-51.90000114.3V159 R163 E202 L203 R204V159-C206 HydrophobicContact CG1-CB 3.34Å; R163-C206 WeakPolarHBondContact CD-O 3.5Å; R163-C206 WeakPolarHBondContact CG-O 3.4Å; E202-C206 PolarHBondContact O-N 3.2Å; E202-C206 VanDerWaalsContact O-N 3.11Å; E202-C206 PolarHBondContact O-SG 3.34Å; L203-C206 PolarHBondContact O-N 3.43Å; R204-C206 PolarHBondContact O-N 3.29Å
207G96.4Very high97.1Very high33 Ų3336.1 Ų36.134%0.3421%0.205SC..THydrogen-bonded Turntrans84.114.8175.900000116Q166 R204 G205Q166-G207 PolarHBondContact NE2-O 2.93Å; R204-G207 PolarHBondContact O-N 3.49Å; G205-G207 VanDerWaalsContact C-N 3.3Å
208L97.4Very high97Very high0 Ų039.2 Ų39.20%022%0.22CC..  trans-107.2133.7173.2-70.3-175.6000111.1L5 V159 F162 R163 L176 L203 R204L5-L208 HydrophobicContact CD2-CD1 4.18Å; V159-L208 HydrophobicContact CG1-CD1 3.84Å; V159-L208 HydrophobicContact CG1-CG 4.34Å; F162-L208 HydrophobicContact CB-CD1 4.4Å; R163-L208 HydrophobicContact CB-CD2 4.38Å; L176-L208 HydrophobicContact CD2-CB 3.67Å; L176-L208 HydrophobicContact CD2-CD1 4.29Å; L176-L208 HydrophobicContact CD2-CG 4.43Å; L203-L208 CarbonylContact C-O 3.55Å; L203-L208 HydrophobicContact CD1-CB 3.89Å; L203-L208 HydrophobicContact CD1-CD1 4.09Å; L203-L208 HydrophobicContact CG-CB 4.07Å; L203-L208 PolarHBondContact O-N 2.89Å; R204-L208 VanDerWaalsContact CA-O 3.25Å; R204-L208 WeakPolarHBondContact CA-O 3.47Å; R204-L208 WeakPolarHBondContact CG-O 3.4Å; R204-L208 PolarHBondContact N-O 3Å
209S97Very high96.9Very high78 Ų7842.9 Ų42.955%0.54523%0.228SC..  trans-112.9123177.9-63.90000110.2D211S209-D211 PolarHBondContact O-N 2.89Å
210P97.9Very high96.8Very high10 Ų1046.8 Ų46.87%0.06525%0.253CS..  trans-68.6129.3-178.228-33.1000110.8H178 V200 L203 I213 V235H178-P210 HydrophobicContact CB-CB 3.94Å; V200-P210 HydrophobicContact CG1-CG 4.05Å; L203-P210 HydrophobicContact CD2-CB 4.29Å; L203-P210 HydrophobicContact CD2-CG 4.41Å; P210-I213 HydrophobicContact CB-CG1 4.17Å; P210-I213 HydrophobicContact CG-CD1 4.32Å; P210-I213 HydrophobicContact CG-CG1 4.24Å; P210-V235 HydrophobicContact CG-CG1 4.36Å; P210-V235 WeakPolarHBondContact O-CG1 3.27Å
211D98.2Very high96.6Very high22 Ų2247.6 Ų47.612%0.11826%0.258CS..SBendtrans-83.3-31.6170.7-65.8-70.8000111.1C175 L176 S209 Q239 Y264 R268C175-D211 VanDerWaalsContact CA-OD2 3.24Å; C175-D211 WeakPolarHBondContact CA-OD2 3.38Å; L176-D211 PolarHBondContact N-OD2 3.29Å; L176-D211 WeakPolarHBondContact O-CA 3.42Å; L176-D211 WeakPolarHBondContact O-CB 3.18Å; L176-D211 PolarHBondContact O-N 3.22Å; S209-D211 PolarHBondContact O-N 2.89Å; D211-Q239 WeakPolarHBondContact O-CG 3.33Å; D211-Y264 HydrophobicContact CB-CE1 4.32Å; D211-Y264 WeakPolarHBondContact CB-OH 3.28Å; D211-Y264 PolarHBondContact O-OH 2.91Å; D211-R268 IonicContact OD1-CZ 3.8Å; D211-R268 IonicContact OD1-NE 3.77Å; D211-R268 PolarHBondContact OD1-NE 3.25Å; D211-R268 IonicContact OD1-NH2 3.43Å; D211-R268 PolarHBondContact OD1-NH2 2.89Å; D211-R268 VanDerWaalsContact OD1-NH2 3.08Å; D211-R268 IonicContact OD2-CZ 3.26Å; D211-R268 IonicContact OD2-NE 2.75Å; D211-R268 IonicContact OD2-NH2 3.39Å; D211-R268 PolarHBondContact OD2-NH2 2.91Å
212L98.1Very high96.3Very high3 Ų341.1 Ų41.12%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-130.4139.2174.1-70176.5000110F23 L176 A177 H178 Q239 I241 Y264 L265F23-L212 HydrophobicContact CE1-CD1 3.82Å; F23-L212 HydrophobicContact CZ-CD1 3.89Å; L176-L212 PolarHBondContact O-N 3.4Å; A177-L212 WeakPolarHBondContact CA-O 3.38Å; A177-L212 HydrophobicContact CB-CB 4.21Å; H178-L212 PolarHBondContact N-O 3.34Å; L212-Q239 HydrophobicContact CD2-CB 4.16Å; L212-Q239 HydrophobicContact CD2-CG 4.43Å; L212-I241 HydrophobicContact CD1-CD1 4.13Å; L212-I241 HydrophobicContact CD2-CD1 3.97Å; L212-I241 HydrophobicContact CG-CD1 4.44Å; L212-Y264 HydrophobicContact CD1-CD1 3.94Å; L212-Y264 HydrophobicContact CD1-CE1 4.1Å; L212-Y264 HydrophobicContact CD2-CD1 3.49Å; L212-Y264 VanDerWaalsContact CD2-CD1 3.49Å; L212-Y264 HydrophobicContact CD2-CE1 3.45Å; L212-Y264 VanDerWaalsContact CD2-CE1 3.45Å; L212-Y264 HydrophobicContact CD2-CG 4.07Å; L212-Y264 HydrophobicContact CG-CD1 3.79Å; L212-Y264 HydrophobicContact CG-CE1 3.53Å; L212-L265 HydrophobicContact CD1-CD2 4.42Å
213I97.8Very high96.2Very high0 Ų043.9 Ų43.90%026%0.259CS..EExtended strand (participates in β ladder)trans-113.6110.9171.6-56-176000108.1T196 V200 P210 I229 C233 V235 Q239 I241T196-I213 HydrophobicContact CG2-CG2 4.18Å; V200-I213 HydrophobicContact CG2-CD1 4.22Å; P210-I213 HydrophobicContact CB-CG1 4.17Å; P210-I213 HydrophobicContact CG-CD1 4.32Å; P210-I213 HydrophobicContact CG-CG1 4.24Å; I213-I229 HydrophobicContact CD1-CG2 4.22Å; I213-I229 HydrophobicContact CG2-CG2 4.2Å; I213-C233 HydrophobicContact CD1-CB 3.26Å; I213-V235 HydrophobicContact CD1-CB 4.37Å; I213-V235 HydrophobicContact CD1-CG1 3.91Å; I213-V235 HydrophobicContact CD1-CG2 3.54Å; I213-V235 HydrophobicContact CG1-CG1 4.25Å; I213-V235 HydrophobicContact CG1-CG2 4.12Å; I213-Q239 PolarHBondContact N-O 3.5Å; I213-I241 PolarHBondContact O-N 3.13Å
214V97.6Very high96.1Very high0 Ų051.2 Ų51.20%029%0.294CS..EExtended strand (participates in β ladder)trans-97.4106.7178.8-176.20000108.5I19 F23 H178 V179 S180 I241 I243I19-V214 HydrophobicContact CD1-CG1 4.17Å; I19-V214 HydrophobicContact CG1-CG1 4.21Å; I19-V214 HydrophobicContact CG2-CG1 4.18Å; I19-V214 HydrophobicContact CG2-CG2 4.21Å; F23-V214 HydrophobicContact CZ-CG2 4.39Å; H178-V214 PolarHBondContact O-N 3.07Å; V179-V214 CarbonylContact C-O 3.54Å; V179-V214 WeakPolarHBondContact CA-O 3.48Å; V179-V214 HydrophobicContact CG1-CB 4.49Å; V179-V214 HydrophobicContact CG1-CG1 4.47Å; V179-V214 HydrophobicContact CG2-CB 4.27Å; S180-V214 PolarHBondContact N-O 3.46Å; V214-I241 HydrophobicContact CG2-CD1 4.31Å; V214-I243 HydrophobicContact CG1-CD1 3.48Å; V214-I243 VanDerWaalsContact CG1-CD1 3.48Å; V214-I243 HydrophobicContact CG1-CG1 4.11Å
215C97.2Very high96Very high0 Ų047.4 Ų47.40%028%0.28CS..EExtended strand (participates in β ladder)trans-92.6108.5-179-66.20000110.5S180 V182 I221 I229 I241 I243S180-C215 WeakPolarHBondContact O-CA 3.41Å; V182-C215 HydrophobicContact CG2-CB 3.72Å; C215-I221 HydrophobicContact CB-CD1 4.19Å; C215-I229 VanDerWaalsContact SG-CD1 3.57Å; C215-I241 PolarHBondContact N-O 3.35Å; C215-I243 PolarHBondContact O-N 2.85Å
216R96.6Very high96Very high58 Ų5846 Ų4622%0.21926%0.255CS..EExtended strand (participates in β ladder)trans-80.2131.2170.1-173.365-176.4-108.85.6110V14 S180 V182 I243 D245V14-R216 HydrophobicContact CG2-CB 3.62Å; V14-R216 HydrophobicContact CG2-CG 4.02Å; S180-R216 PolarHBondContact O-N 3.45Å; V182-R216 PolarHBondContact N-O 3.07Å; R216-I243 CarbonylContact C-O 3.53Å; R216-I243 VanDerWaalsContact CA-O 3.27Å; R216-I243 WeakPolarHBondContact CA-O 3.44Å; R216-I243 WeakPolarHBondContact CD-O 3.47Å; R216-D245 IonicContact CZ-OD1 2.93Å; R216-D245 IonicContact NE-OD1 2.56Å; R216-D245 PolarHBondContact NE-OD1 3.25Å; R216-D245 VanDerWaalsContact NE-OD1 3.15Å; R216-D245 IonicContact NH2-OD1 3.92Å; R216-D245 PolarHBondContact NH2-OD1 2.88Å
217S95.1Very high96.1Very high7 Ų748.5 Ų48.55%0.04926%0.262CS..  trans-146.9167.6-177.5530000111.2K219 C242 I243 H244 D245S217-K219 PolarHBondContact OG-O 3.29Å; S217-C242 PolarHBondContact OG-SG 3.01Å; S217-I243 PolarHBondContact N-O 2.88Å; S217-H244 CarbonylContact O-C 3.58Å; S217-H244 VanDerWaalsContact O-C 3.27Å; S217-H244 WeakPolarHBondContact O-CA 3.47Å; S217-D245 PolarHBondContact O-N 3.31Å
218E93.9Very high96.1Very high91 Ų9151.2 Ų51.243%0.42527%0.265SS..SBendtrans-77.6-33.4174.3-66.3174.3-145.100111.8
219K94Very high96.1Very high138 Ų13851.2 Ų51.260%0.627%0.265SS*.SBendtrans-133.4154.6-176.1-61.3-179.5-176.3178.90110.3L184 S217 I221 H244L184-K219 HydrophobicContact CD2-CD 4.18Å; S217-K219 PolarHBondContact OG-O 3.29Å; K219-I221 PolarHBondContact O-N 3.02Å; K219-H244 VanDerWaalsContact C-CB 3.49Å
220P94.9Very high96.1Very high93 Ų9347.9 Ų47.960%0.60424%0.242SC*.PPolyproline II helixtrans-50.4127.2172.2-2430.7000111.6
221I93.7Very high96Very high18 Ų1852.6 Ų52.69%0.09227%0.267CS..PPolyproline II helixtrans-82.1141.5177.571.6-169.1000110.5C215 K219 V225 K226 I229 C242C215-I221 HydrophobicContact CB-CD1 4.19Å; K219-I221 PolarHBondContact O-N 3.02Å; I221-V225 HydrophobicContact CB-CB 4.13Å; I221-V225 HydrophobicContact CB-CG1 4.13Å; I221-V225 HydrophobicContact CD1-CG1 4.19Å; I221-V225 HydrophobicContact CG1-CB 4.43Å; I221-V225 HydrophobicContact CG1-CG1 4.45Å; I221-K226 HydrophobicContact CD1-CG 4Å; I221-K226 HydrophobicContact CG1-CG 4.02Å; I221-I229 HydrophobicContact CD1-CD1 4.49Å; I221-C242 HydrophobicContact CD1-CB 3.83Å; I221-C242 HydrophobicContact CG1-CB 3.73Å; I221-C242 PolarHBondContact N-SG 3.21Å; I221-C242 VanDerWaalsContact N-SG 3.41Å
222G92.3Very high96Very high31 Ų3156.5 Ų56.532%0.3228%0.282SS..PPolyproline II helixtrans-66.9164.4176.700000113.4E224 V225 K226G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.25Å; G222-V225 WeakPolarHBondContact O-CB 3.33Å; G222-V225 PolarHBondContact O-N 3.02Å; G222-V225 VanDerWaalsContact O-N 3.15Å; G222-K226 PolarHBondContact O-N 3.36Å
223L94.8Very high95.9Very high140 Ų14056.4 Ų56.473%0.73328%0.282SS*.Hα-helixtrans-60.7-38.2178.5-67.3176.5000112.2V225 K226 E227L223-V225 PolarHBondContact O-N 3.21Å; L223-K226 WeakPolarHBondContact O-CB 3.14Å; L223-K226 PolarHBondContact O-N 2.79Å; L223-E227 WeakPolarHBondContact O-CG 3.25Å; L223-E227 PolarHBondContact O-N 3.42Å
224E95.1Very high95.9Very high155 Ų15562.9 Ų62.972%0.72431%0.312SS*.Hα-helixtrans-54.9-35.4174.865.7-140.2-18000113.7G222 K228G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.25Å; E224-K228 WeakPolarHBondContact O-CB 3.37Å; E224-K228 PolarHBondContact O-N 3.32Å; E224-K228 VanDerWaalsContact O-N 3.09Å
225V96Very high95.9Very high10 Ų1063.6 Ų63.66%0.06132%0.317CS..Hα-helixtrans-74.5-40.4178.5-176.10000109.8P191 T193 I221 G222 L223 K228 I229P191-V225 HydrophobicContact CB-CG2 4.43Å; P191-V225 HydrophobicContact CG-CG2 3.58Å; T193-V225 HydrophobicContact CG2-CG1 3.42Å; T193-V225 VanDerWaalsContact CG2-CG1 3.42Å; I221-V225 HydrophobicContact CB-CB 4.13Å; I221-V225 HydrophobicContact CB-CG1 4.13Å; I221-V225 HydrophobicContact CD1-CG1 4.19Å; I221-V225 HydrophobicContact CG1-CB 4.43Å; I221-V225 HydrophobicContact CG1-CG1 4.45Å; G222-V225 WeakPolarHBondContact O-CB 3.33Å; G222-V225 PolarHBondContact O-N 3.02Å; G222-V225 VanDerWaalsContact O-N 3.15Å; L223-V225 PolarHBondContact O-N 3.21Å; V225-K228 WeakPolarHBondContact O-CB 3.44Å; V225-K228 PolarHBondContact O-N 2.66Å; V225-I229 HydrophobicContact CG1-CD1 4.16Å; V225-I229 VanDerWaalsContact O-CG1 3.31Å; V225-I229 WeakPolarHBondContact O-CG1 3.45Å; V225-I229 PolarHBondContact O-N 3.16Å
226K96.3Very high95.8Very high38 Ų3864.7 Ų64.717%0.16533%0.327CS..Hα-helixtrans-63.5-46.9175.8-66.6-168.2176-164.10111.6I221 G222 L223 K228 I229 S230 V240I221-K226 HydrophobicContact CD1-CG 4Å; I221-K226 HydrophobicContact CG1-CG 4.02Å; G222-K226 PolarHBondContact O-N 3.36Å; L223-K226 WeakPolarHBondContact O-CB 3.14Å; L223-K226 PolarHBondContact O-N 2.79Å; K226-K228 VanDerWaalsContact C-N 3.28Å; K226-K228 PolarHBondContact O-N 3.27Å; K226-I229 PolarHBondContact O-N 3.34Å; K226-I229 VanDerWaalsContact O-N 3.12Å; K226-S230 WeakPolarHBondContact O-CB 3.32Å; K226-S230 PolarHBondContact O-N 2.9Å; K226-V240 HydrophobicContact CB-CB 4.44Å; K226-V240 HydrophobicContact CB-CG1 4.26Å; K226-V240 HydrophobicContact CG-CG1 4.11Å; K226-V240 PolarHBondContact NZ-O 3.11Å
227E96.8Very high95.7Very high93 Ų9365 Ų6544%0.43534%0.337SS..Hα-helixtrans-58-41.9175.2-72.3-60.4150.800111.7L223 S230 N231L223-E227 WeakPolarHBondContact O-CG 3.25Å; L223-E227 PolarHBondContact O-N 3.42Å; E227-S230 PolarHBondContact O-N 2.99Å; E227-N231 WeakPolarHBondContact O-CB 3.36Å; E227-N231 PolarHBondContact O-N 2.91Å; E227-N231 PolarHBondContact O-ND2 3.35Å; E227-N231 VanDerWaalsContact O-ND2 3.14Å
228K96.7Very high95.7Very high90 Ų9069.9 Ų69.939%0.39136%0.363SS..Hα-helixtrans-60.9-47.3174.6-173.9173.5-177.71740111.6T193 E224 V225 K226 F232T193-K228 HydrophobicContact CG2-CD 4.47Å; T193-K228 WeakPolarHBondContact OG1-CE 3.25Å; E224-K228 WeakPolarHBondContact O-CB 3.37Å; E224-K228 PolarHBondContact O-N 3.32Å; E224-K228 VanDerWaalsContact O-N 3.09Å; V225-K228 WeakPolarHBondContact O-CB 3.44Å; V225-K228 PolarHBondContact O-N 2.66Å; K226-K228 VanDerWaalsContact C-N 3.28Å; K226-K228 PolarHBondContact O-N 3.27Å; K228-F232 HydrophobicContact CD-CE2 4.36Å; K228-F232 HydrophobicContact CG-CD2 3.58Å; K228-F232 HydrophobicContact CG-CE2 3.61Å; K228-F232 WeakPolarHBondContact O-CB 3.24Å; K228-F232 WeakPolarHBondContact O-CD2 3.38Å; K228-F232 PolarHBondContact O-N 3.24Å
229I97.5Very high95.8Very high0 Ų067.4 Ų67.40%035%0.351CS..Hα-helixtrans-64.5-45.9178.9-67.9169.6000110.5V182 T193 I213 C215 I221 V225 K226 N231 F232 C233 V240V182-I229 HydrophobicContact CG2-CD1 4.26Å; T193-I229 HydrophobicContact CG2-CD1 3.89Å; T193-I229 HydrophobicContact CG2-CG1 3.73Å; I213-I229 HydrophobicContact CD1-CG2 4.22Å; I213-I229 HydrophobicContact CG2-CG2 4.2Å; C215-I229 VanDerWaalsContact SG-CD1 3.57Å; I221-I229 HydrophobicContact CD1-CD1 4.49Å; V225-I229 HydrophobicContact CG1-CD1 4.16Å; V225-I229 VanDerWaalsContact O-CG1 3.31Å; V225-I229 WeakPolarHBondContact O-CG1 3.45Å; V225-I229 PolarHBondContact O-N 3.16Å; K226-I229 PolarHBondContact O-N 3.34Å; K226-I229 VanDerWaalsContact O-N 3.12Å; I229-N231 PolarHBondContact O-N 3.1Å; I229-F232 PolarHBondContact O-N 3.26Å; I229-C233 HydrophobicContact CG2-CB 4.48Å; I229-C233 WeakPolarHBondContact O-CB 3.41Å; I229-C233 PolarHBondContact O-N 2.93Å; I229-C233 PolarHBondContact O-SG 2.76Å; I229-V240 HydrophobicContact CB-CG1 4.17Å; I229-V240 HydrophobicContact CB-CG2 4.34Å; I229-V240 HydrophobicContact CD1-CG1 4.3Å; I229-V240 HydrophobicContact CG2-CG1 3.95Å; I229-V240 HydrophobicContact CG2-CG2 3.9Å
230S97Very high96Very high9 Ų960.9 Ų60.96%0.06332%0.323CS..Hα-helixtrans-51.7-53.8175.7168.70000111.5K226 E227 H234 V235K226-S230 WeakPolarHBondContact O-CB 3.32Å; K226-S230 PolarHBondContact O-N 2.9Å; E227-S230 PolarHBondContact O-N 2.99Å; S230-H234 WeakPolarHBondContact O-CA 3.09Å; S230-H234 PolarHBondContact O-N 2.97Å; S230-V235 WeakPolarHBondContact CA-O 3.45Å; S230-V235 WeakPolarHBondContact CB-O 3.32Å; S230-V235 PolarHBondContact O-N 2.89Å; S230-V235 PolarHBondContact OG-O 3.3Å
231N97.1Very high96.1Very high109 Ų10956.6 Ų56.658%0.58330%0.295SS*.Hα-helixtrans-62.9-46.5179.9-74.4-37.5000113.2E227 I229E227-N231 WeakPolarHBondContact O-CB 3.36Å; E227-N231 PolarHBondContact O-N 2.91Å; E227-N231 PolarHBondContact O-ND2 3.35Å; E227-N231 VanDerWaalsContact O-ND2 3.14Å; I229-N231 PolarHBondContact O-N 3.1Å
232F97.1Very high96.2Very high103 Ų10356.2 Ų56.245%0.45229%0.294SS..Hα-helixtrans-77.5-27.3-175.9-76.6-64.6000113.9Q197 K228 I229Q197-F232 HydrophobicContact CG-CB 3.8Å; Q197-F232 HydrophobicContact CG-CG 4.27Å; K228-F232 HydrophobicContact CD-CE2 4.36Å; K228-F232 HydrophobicContact CG-CD2 3.58Å; K228-F232 HydrophobicContact CG-CE2 3.61Å; K228-F232 WeakPolarHBondContact O-CB 3.24Å; K228-F232 WeakPolarHBondContact O-CD2 3.38Å; K228-F232 PolarHBondContact O-N 3.24Å; I229-F232 PolarHBondContact O-N 3.26Å
233C97.3Very high96.4Very high2 Ų254.8 Ų54.81%0.01428%0.279CS..Hα-helixtrans-95.1-8.6-179.9-63.20000113.1V200 I213 I229 V235V200-C233 HydrophobicContact CB-CB 4.48Å; V200-C233 HydrophobicContact CG1-CB 3.97Å; V200-C233 HydrophobicContact CG2-CB 4.4Å; I213-C233 HydrophobicContact CD1-CB 3.26Å; I229-C233 HydrophobicContact CG2-CB 4.48Å; I229-C233 WeakPolarHBondContact O-CB 3.41Å; I229-C233 PolarHBondContact O-N 2.93Å; I229-C233 PolarHBondContact O-SG 2.76Å; C233-V235 HydrophobicContact CB-CG2 4.33Å
234H96.8Very high96.4Very high136 Ų13650.3 Ų50.363%0.6325%0.254SS*.THydrogen-bonded Turntrans61.348.8-179.8-48.897.5000113.2R204 S230R204-H234 PolarHBondContact NH1-ND1 2.91Å; R204-H234 PolarHBondContact NH2-ND1 3.41Å; S230-H234 WeakPolarHBondContact O-CA 3.09Å; S230-H234 PolarHBondContact O-N 2.97Å
235V97Very high96.4Very high15 Ų1546.9 Ų46.99%0.09124%0.24CC..  trans-127.4159.3176.7-63.70000109.8P210 I213 S230 C233 Q239 V240P210-V235 HydrophobicContact CG-CG1 4.36Å; P210-V235 WeakPolarHBondContact O-CG1 3.27Å; I213-V235 HydrophobicContact CD1-CB 4.37Å; I213-V235 HydrophobicContact CD1-CG1 3.91Å; I213-V235 HydrophobicContact CD1-CG2 3.54Å; I213-V235 HydrophobicContact CG1-CG1 4.25Å; I213-V235 HydrophobicContact CG1-CG2 4.12Å; S230-V235 WeakPolarHBondContact CA-O 3.45Å; S230-V235 WeakPolarHBondContact CB-O 3.32Å; S230-V235 PolarHBondContact O-N 2.89Å; S230-V235 PolarHBondContact OG-O 3.3Å; C233-V235 HydrophobicContact CB-CG2 4.33Å; V235-Q239 HydrophobicContact CB-CB 4.28Å; V235-Q239 VanDerWaalsContact CB-OE1 3.27Å; V235-V240 HydrophobicContact CG2-CG2 3.95Å
236G95.6Very high96.2Very high22 Ų2248.6 Ų48.623%0.22725%0.249CC..  trans-61.3149.5172.300000112D238 Q239G236-D238 WeakPolarHBondContact CA-OD1 3.41Å; G236-D238 PolarHBondContact O-N 3.17Å; G236-Q239 WeakPolarHBondContact O-CB 3.36Å; G236-Q239 PolarHBondContact O-N 3.01Å
237P94.9Very high95.7Very high64 Ų6453 Ų5342%0.41628%0.275SS..G310 helixtrans-64.1-28.9179.325.5-33.9000113Q239 V240P237-Q239 VanDerWaalsContact C-N 3.27Å; P237-Q239 PolarHBondContact O-N 2.92Å; P237-V240 PolarHBondContact O-N 3.01Å
238D94.5Very high95.3Very high111 Ų11149.4 Ų49.459%0.59426%0.259SS*.G310 helixtrans-69.1-20.717361.3-35000113.5G236 V240G236-D238 WeakPolarHBondContact CA-OD1 3.41Å; G236-D238 PolarHBondContact O-N 3.17Å; D238-V240 VanDerWaalsContact C-N 3.3Å
239Q97.3Very high95Very high38 Ų3847.8 Ų47.818%0.17826%0.255CS..G310 helixtrans-83.4-5.1176.8-60.9170.7-14.900113D211 L212 I213 V235 G236 P237 Y264D211-Q239 WeakPolarHBondContact O-CG 3.33Å; L212-Q239 HydrophobicContact CD2-CB 4.16Å; L212-Q239 HydrophobicContact CD2-CG 4.43Å; I213-Q239 PolarHBondContact N-O 3.5Å; V235-Q239 HydrophobicContact CB-CB 4.28Å; V235-Q239 VanDerWaalsContact CB-OE1 3.27Å; G236-Q239 WeakPolarHBondContact O-CB 3.36Å; G236-Q239 PolarHBondContact O-N 3.01Å; P237-Q239 VanDerWaalsContact C-N 3.27Å; P237-Q239 PolarHBondContact O-N 2.92Å; Q239-Y264 HydrophobicContact CG-CD2 4.36Å; Q239-Y264 HydrophobicContact CG-CE2 3.69Å; Q239-Y264 PolarHBondContact NE2-OH 3.22Å; Q239-Y264 VanDerWaalsContact NE2-OH 3.08Å
240V97.6Very high94.7Very high2 Ų248 Ų481%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-95.898.4178-173.80000110.5K226 I229 V235 P237 D238K226-V240 HydrophobicContact CB-CB 4.44Å; K226-V240 HydrophobicContact CB-CG1 4.26Å; K226-V240 HydrophobicContact CG-CG1 4.11Å; K226-V240 PolarHBondContact NZ-O 3.11Å; I229-V240 HydrophobicContact CB-CG1 4.17Å; I229-V240 HydrophobicContact CB-CG2 4.34Å; I229-V240 HydrophobicContact CD1-CG1 4.3Å; I229-V240 HydrophobicContact CG2-CG1 3.95Å; I229-V240 HydrophobicContact CG2-CG2 3.9Å; V235-V240 HydrophobicContact CG2-CG2 3.95Å; P237-V240 PolarHBondContact O-N 3.01Å; D238-V240 VanDerWaalsContact C-N 3.3Å
241I96.9Very high94.5Very high3 Ų349.2 Ų49.22%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-95.8125.3-177.2-55.8157.7000108.7L212 I213 V214 C215 I243 N259 V261L212-I241 HydrophobicContact CD1-CD1 4.13Å; L212-I241 HydrophobicContact CD2-CD1 3.97Å; L212-I241 HydrophobicContact CG-CD1 4.44Å; I213-I241 PolarHBondContact O-N 3.13Å; V214-I241 HydrophobicContact CG2-CD1 4.31Å; C215-I241 PolarHBondContact N-O 3.35Å; I241-I243 HydrophobicContact CG2-CD1 4.46Å; I241-I243 HydrophobicContact CG2-CG1 4.15Å; I241-N259 HydrophobicContact CG2-CB 4.1Å; I241-V261 HydrophobicContact CD1-CG2 3.47Å; I241-V261 VanDerWaalsContact CD1-CG2 3.47Å; I241-V261 HydrophobicContact CG1-CG2 4.18Å
242C96.4Very high94.4Very high10 Ų1044.2 Ų44.27%0.06823%0.234CC..EExtended strand (participates in β ladder)trans-96.1125.4174.2179.40000109.8S217 I221S217-C242 PolarHBondContact OG-SG 3.01Å; I221-C242 HydrophobicContact CD1-CB 3.83Å; I221-C242 HydrophobicContact CG1-CB 3.73Å; I221-C242 PolarHBondContact N-SG 3.21Å; I221-C242 VanDerWaalsContact N-SG 3.41Å
243I96.5Very high94.2Very high1 Ų139.3 Ų39.31%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-121.2111.9171-60.5178.3000106.1I19 V214 C215 R216 S217 I241 V252 L255 M256I19-I243 HydrophobicContact CD1-CD1 3.31Å; I19-I243 HydrophobicContact CD1-CG2 4.45Å; V214-I243 HydrophobicContact CG1-CD1 3.48Å; V214-I243 VanDerWaalsContact CG1-CD1 3.48Å; V214-I243 HydrophobicContact CG1-CG1 4.11Å; C215-I243 PolarHBondContact O-N 2.85Å; R216-I243 CarbonylContact C-O 3.53Å; R216-I243 VanDerWaalsContact CA-O 3.27Å; R216-I243 WeakPolarHBondContact CA-O 3.44Å; R216-I243 WeakPolarHBondContact CD-O 3.47Å; S217-I243 PolarHBondContact N-O 2.88Å; I241-I243 HydrophobicContact CG2-CD1 4.46Å; I241-I243 HydrophobicContact CG2-CG1 4.15Å; I243-V252 HydrophobicContact CD1-CG1 4.19Å; I243-L255 HydrophobicContact CB-CD2 4.46Å; I243-L255 HydrophobicContact CG1-CD2 4.32Å; I243-L255 HydrophobicContact CG2-CD2 4.38Å; I243-M256 HydrophobicContact CD1-CE 3.53Å; I243-M256 HydrophobicContact CD1-CG 4.17Å
244H95.1Very high94.1Very high45 Ų4540 Ų4021%0.20822%0.215CC..  trans-90.9177.6176.962.987.4000110.8S217 K219 L246S217-H244 CarbonylContact O-C 3.58Å; S217-H244 VanDerWaalsContact O-C 3.27Å; S217-H244 WeakPolarHBondContact O-CA 3.47Å; K219-H244 VanDerWaalsContact C-CB 3.49Å; H244-L246 WeakPolarHBondContact CE1-CD2 3.25Å; H244-L246 PolarHBondContact O-N 3.38Å
245D93.8Very high94Very high83 Ų8334.6 Ų34.644%0.44419%0.191SC..  trans-67121.5170.9-70.3-24.7000109.5R216 S217R216-D245 IonicContact CZ-OD1 2.93Å; R216-D245 IonicContact NE-OD1 2.56Å; R216-D245 PolarHBondContact NE-OD1 3.25Å; R216-D245 VanDerWaalsContact NE-OD1 3.15Å; R216-D245 IonicContact NH2-OD1 3.92Å; R216-D245 PolarHBondContact NH2-OD1 2.88Å; S217-D245 PolarHBondContact O-N 3.31Å
246L91.5Very high94Very high46 Ų4633.9 Ų33.924%0.24119%0.187CC..  trans-108.3153.7-177.3-66.8163.3000109.3H244 S248 H251 V252 L255H244-L246 WeakPolarHBondContact CE1-CD2 3.25Å; H244-L246 PolarHBondContact O-N 3.38Å; L246-S248 PolarHBondContact O-N 2.93Å; L246-H251 HydrophobicContact CB-CB 4.26Å; L246-H251 HydrophobicContact CD1-CB 3.82Å; L246-H251 HydrophobicContact CD2-CB 4.14Å; L246-H251 HydrophobicContact CG-CB 4.3Å; L246-V252 HydrophobicContact CD1-CB 4.49Å; L246-V252 HydrophobicContact CD1-CG2 3.71Å; L246-L255 HydrophobicContact CD1-CD2 4.14Å; L246-L255 HydrophobicContact CD2-CD2 4.47Å
247N85.9Confident93.8Very high132 Ų13233.8 Ų33.871%0.70618%0.18SC*.SBendtrans-60.4-28.3177.7-66.5-31000112.8E293N247-E293 HydrophobicContact CB-CG 4.4Å; N247-E293 PolarHBondContact ND2-OE1 3.32Å
248S87.9Confident93.7Very high16 Ų1637.9 Ų37.911%0.11219%0.194CC..  trans-149.8148.4177.2174.30000111.4L246 Y250 H251L246-S248 PolarHBondContact O-N 2.93Å; S248-Y250 PolarHBondContact O-N 2.8Å; S248-Y250 VanDerWaalsContact O-N 3.15Å; S248-Y250 WeakPolarHBondContact OG-CD2 3.44Å; S248-Y250 PolarHBondContact OG-N 3.38Å; S248-H251 PolarHBondContact O-N 2.85Å; S248-H251 VanDerWaalsContact O-N 3.15Å
249I90.4Very high93.7Very high57 Ų5735 Ų3529%0.29218%0.179SC..THydrogen-bonded Turntrans-59.4-21.8174.560.9178.8000112.7V18 F77 H251 V252V18-I249 HydrophobicContact CG1-CB 4.3Å; V18-I249 HydrophobicContact CG2-CG2 4.39Å; F77-I249 HydrophobicContact CE2-CD1 3.91Å; F77-I249 HydrophobicContact CZ-CB 4.1Å; F77-I249 HydrophobicContact CZ-CD1 3.7Å; F77-I249 HydrophobicContact CZ-CG1 3.83Å; I249-H251 PolarHBondContact O-N 3.01Å; I249-V252 WeakPolarHBondContact O-CB 3.18Å; I249-V252 WeakPolarHBondContact O-CG2 3.25Å; I249-V252 PolarHBondContact O-N 3.34Å
250Y91.9Very high93.5Very high5 Ų534.6 Ų34.62%0.0218%0.184CC..THydrogen-bonded Turntrans-72.2-14.1178.7-51.9-44.8000113.8F77 S248 V252 W285 L288 H323 L326 P533F77-Y250 HydrophobicContact CE1-CD1 4.18Å; F77-Y250 HydrophobicContact CZ-CD1 4.28Å; F77-Y250 HydrophobicContact CZ-CE1 4.42Å; S248-Y250 PolarHBondContact O-N 2.8Å; S248-Y250 VanDerWaalsContact O-N 3.15Å; S248-Y250 WeakPolarHBondContact OG-CD2 3.44Å; S248-Y250 PolarHBondContact OG-N 3.38Å; Y250-V252 VanDerWaalsContact C-N 3.35Å; Y250-W285 HydrophobicContact CD1-CE3 4.4Å; Y250-W285 AromaticContact CD1-CZ3 3.8Å; Y250-W285 HydrophobicContact CD1-CZ3 3.8Å; Y250-W285 HydrophobicContact CE1-CZ3 4.48Å; Y250-L288 HydrophobicContact CD1-CD2 3.93Å; Y250-L288 HydrophobicContact CD2-CD2 3.76Å; Y250-L288 HydrophobicContact CD2-CG 3.8Å; Y250-L288 HydrophobicContact CE1-CD2 4.12Å; Y250-L288 HydrophobicContact CE2-CD1 4.49Å; Y250-L288 HydrophobicContact CE2-CD2 3.98Å; Y250-L288 HydrophobicContact CE2-CG 4.16Å; Y250-L288 HydrophobicContact CG-CD2 3.75Å; Y250-L288 HydrophobicContact CG-CG 4.16Å; Y250-H323 PolarHBondContact OH-CD2 3.08Å; Y250-H323 PolarHBondContact OH-NE2 2.79Å; Y250-L326 HydrophobicContact CD2-CD1 4.47Å; Y250-L326 HydrophobicContact CE2-CD1 3.74Å; Y250-P533 HydrophobicContact CE1-CB 3.89Å; Y250-P533 HydrophobicContact CE1-CG 3.73Å
251H93.6Very high93.4Very high33 Ų3334.6 Ų34.615%0.15318%0.184CC..Hα-helixtrans-79.4-17.3172.1-71.1-96.3000112.8L246 S248 I249 L254 L255 E293L246-H251 HydrophobicContact CB-CB 4.26Å; L246-H251 HydrophobicContact CD1-CB 3.82Å; L246-H251 HydrophobicContact CD2-CB 4.14Å; L246-H251 HydrophobicContact CG-CB 4.3Å; S248-H251 PolarHBondContact O-N 2.85Å; S248-H251 VanDerWaalsContact O-N 3.15Å; I249-H251 PolarHBondContact O-N 3.01Å; H251-L254 PolarHBondContact O-N 3Å; H251-L255 PolarHBondContact O-N 3.45Å; H251-E293 IonicContact CE1-OE1 3.96Å; H251-E293 PolarHBondContact CE1-OE1 3.32Å; H251-E293 IonicContact CE1-OE2 3.68Å; H251-E293 IonicContact NE2-OE1 3.76Å; H251-E293 PolarHBondContact NE2-OE1 3.34Å
252V94.8Very high93.2Very high5 Ų534.5 Ų34.53%0.0318%0.184CC..Hα-helixtrans-62.4-47.7-175-178.90000112.4V18 I19 S22 I243 L246 I249 Y250 L254 L255 M256V18-V252 HydrophobicContact CG1-CB 4.06Å; V18-V252 HydrophobicContact CG1-CG1 4.18Å; V18-V252 HydrophobicContact CG1-CG2 3.8Å; I19-V252 HydrophobicContact CD1-CG1 3.95Å; S22-V252 VanDerWaalsContact OG-CG1 3.28Å; S22-V252 WeakPolarHBondContact OG-CG1 3.41Å; I243-V252 HydrophobicContact CD1-CG1 4.19Å; L246-V252 HydrophobicContact CD1-CB 4.49Å; L246-V252 HydrophobicContact CD1-CG2 3.71Å; I249-V252 WeakPolarHBondContact O-CB 3.18Å; I249-V252 WeakPolarHBondContact O-CG2 3.25Å; I249-V252 PolarHBondContact O-N 3.34Å; Y250-V252 VanDerWaalsContact C-N 3.35Å; V252-L254 VanDerWaalsContact C-N 3.27Å; V252-L254 PolarHBondContact O-N 3.11Å; V252-L255 PolarHBondContact O-N 3.49Å; V252-M256 HydrophobicContact CG1-CE 3.9Å; V252-M256 WeakPolarHBondContact O-CG 2.95Å; V252-M256 PolarHBondContact O-N 3.15Å
253P93.6Very high93Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-58.7-38.6174.8-2332.9000112.7T25 L26 M256 E257T25-P253 HydrophobicContact CG2-CB 4.38Å; T25-P253 HydrophobicContact CG2-CG 4.36Å; L26-P253 HydrophobicContact CD2-CB 4.48Å; L26-P253 WeakPolarHBondContact CD2-O 3.45Å; L26-P253 HydrophobicContact CG-CB 4.5Å; P253-M256 PolarHBondContact O-N 3.31Å; P253-E257 WeakPolarHBondContact O-CB 3.46Å; P253-E257 PolarHBondContact O-N 3.03Å
254L94.1Very high93Very high15 Ų1539.3 Ų39.38%0.07920%0.204CC..Hα-helixtrans-69.3-38.5-179.7-55.7176.2000112H251 V252 E257 Q258 W285 R286 A289H251-L254 PolarHBondContact O-N 3Å; V252-L254 VanDerWaalsContact C-N 3.27Å; V252-L254 PolarHBondContact O-N 3.11Å; L254-E257 WeakPolarHBondContact O-CB 3.3Å; L254-E257 PolarHBondContact O-N 2.9Å; L254-Q258 WeakPolarHBondContact O-CG 3.1Å; L254-Q258 PolarHBondContact O-N 3.47Å; L254-W285 HydrophobicContact CD2-CB 4.13Å; L254-R286 HydrophobicContact CD1-CB 4.44Å; L254-R286 HydrophobicContact CD1-CG 3.88Å; L254-R286 HydrophobicContact CD2-CG 3.56Å; L254-R286 HydrophobicContact CG-CG 4.37Å; L254-A289 HydrophobicContact CD1-CB 3.82Å
255L95.1Very high93Very high24 Ų2437.3 Ų37.313%0.12620%0.195CC..Hα-helixtrans-67.9-40.5175.9-175.262.9000111I243 L246 H251 V252 E257 Q258 N259I243-L255 HydrophobicContact CB-CD2 4.46Å; I243-L255 HydrophobicContact CG1-CD2 4.32Å; I243-L255 HydrophobicContact CG2-CD2 4.38Å; L246-L255 HydrophobicContact CD1-CD2 4.14Å; L246-L255 HydrophobicContact CD2-CD2 4.47Å; H251-L255 PolarHBondContact O-N 3.45Å; V252-L255 PolarHBondContact O-N 3.49Å; L255-E257 VanDerWaalsContact C-N 3.34Å; L255-Q258 PolarHBondContact O-N 3.16Å; L255-N259 PolarHBondContact O-N 2.89Å; L255-N259 VanDerWaalsContact O-N 3.13Å; L255-N259 PolarHBondContact O-ND2 2.95Å
256M95.7Very high93.1Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-63.1-40.6173.4-73.8-176.1179.200112.2I19 S22 L26 I243 V252 P253 Q258 N259 V261I19-M256 HydrophobicContact CB-CE 4.06Å; I19-M256 HydrophobicContact CD1-CE 3.67Å; I19-M256 HydrophobicContact CG1-CE 4.39Å; I19-M256 HydrophobicContact CG2-CE 3.59Å; S22-M256 WeakPolarHBondContact CB-SD 3.42Å; L26-M256 HydrophobicContact CD1-CB 3.63Å; L26-M256 HydrophobicContact CD1-SD 4.28Å; I243-M256 HydrophobicContact CD1-CE 3.53Å; I243-M256 HydrophobicContact CD1-CG 4.17Å; V252-M256 HydrophobicContact CG1-CE 3.9Å; V252-M256 WeakPolarHBondContact O-CG 2.95Å; V252-M256 PolarHBondContact O-N 3.15Å; P253-M256 PolarHBondContact O-N 3.31Å; M256-Q258 VanDerWaalsContact C-N 3.3Å; M256-Q258 PolarHBondContact O-N 2.97Å; M256-N259 PolarHBondContact O-N 2.88Å; M256-V261 HydrophobicContact CB-CB 4.4Å; M256-V261 HydrophobicContact CB-CG2 4.06Å; M256-V261 WeakPolarHBondContact O-CB 3.48Å; M256-V261 VanDerWaalsContact O-CG2 3.23Å; M256-V261 WeakPolarHBondContact O-CG2 3.4Å; M256-V261 PolarHBondContact O-N 3.37Å
257E93.3Very high93.2Very high20 Ų2041.6 Ų41.69%0.09321%0.213CC..Hα-helixtrans-55.2-46.8172.8-177.3-167.5-165.100111.2L26 P253 L254 L255 N259 G260 I262 R278 L282 R286L26-E257 HydrophobicContact CD2-CB 3.99Å; P253-E257 WeakPolarHBondContact O-CB 3.46Å; P253-E257 PolarHBondContact O-N 3.03Å; L254-E257 WeakPolarHBondContact O-CB 3.3Å; L254-E257 PolarHBondContact O-N 2.9Å; L255-E257 VanDerWaalsContact C-N 3.34Å; E257-N259 VanDerWaalsContact C-N 3.29Å; E257-N259 PolarHBondContact O-N 3.27Å; E257-G260 PolarHBondContact O-N 2.87Å; E257-I262 HydrophobicContact CG-CD1 4.45Å; E257-R278 IonicContact OE1-CZ 3.91Å; E257-R278 VanDerWaalsContact OE1-CZ 3.26Å; E257-R278 IonicContact OE1-NE 3.42Å; E257-R278 PolarHBondContact OE1-NE 2.8Å; E257-R278 IonicContact OE1-NH2 2.75Å; E257-R278 PolarHBondContact OE1-NH2 3.47Å; E257-L282 HydrophobicContact CB-CD1 4.48Å; E257-L282 HydrophobicContact CG-CD1 3.94Å; E257-L282 WeakPolarHBondContact OE1-CD1 3.49Å; E257-L282 WeakPolarHBondContact OE2-CD1 3.2Å; E257-R286 VanDerWaalsContact CD-NH2 3.29Å; E257-R286 IonicContact OE1-NH2 2.94Å; E257-R286 PolarHBondContact OE1-NH2 2.88Å; E257-R286 IonicContact OE2-CZ 2.9Å; E257-R286 IonicContact OE2-NE 2.66Å; E257-R286 IonicContact OE2-NH2 3.78Å; E257-R286 PolarHBondContact OE2-NH2 3.15Å
258Q92.8Very high93.8Very high150 Ų15037.3 Ų37.370%0.70119%0.187SC*.Hα-helixtrans-65.9-28.4179.8-71170.84.600113.5L254 L255 M256 G260L254-Q258 WeakPolarHBondContact O-CG 3.1Å; L254-Q258 PolarHBondContact O-N 3.47Å; L255-Q258 PolarHBondContact O-N 3.16Å; M256-Q258 VanDerWaalsContact C-N 3.3Å; M256-Q258 PolarHBondContact O-N 2.97Å; Q258-G260 VanDerWaalsContact C-N 3.26Å; Q258-G260 PolarHBondContact O-N 2.92Å
259N93.7Very high94.2Very high51 Ų5136.6 Ų36.627%0.27318%0.182SC..THydrogen-bonded Turntrans-84.28.7177.8-75.7-92.1000113.2I241 L255 M256 E257I241-N259 HydrophobicContact CG2-CB 4.1Å; L255-N259 PolarHBondContact O-N 2.89Å; L255-N259 VanDerWaalsContact O-N 3.13Å; L255-N259 PolarHBondContact O-ND2 2.95Å; M256-N259 PolarHBondContact O-N 2.88Å; E257-N259 VanDerWaalsContact C-N 3.29Å; E257-N259 PolarHBondContact O-N 3.27Å
260G92.9Very high94.5Very high28 Ų2839.7 Ų39.729%0.28920%0.195SC..THydrogen-bonded Turntrans7622.8173.900000114.9E257 Q258 I262 E263 Y264E257-G260 PolarHBondContact O-N 2.87Å; Q258-G260 VanDerWaalsContact C-N 3.26Å; Q258-G260 PolarHBondContact O-N 2.92Å; G260-I262 VanDerWaalsContact C-N 3.31Å; G260-I262 PolarHBondContact O-N 3.45Å; G260-E263 WeakPolarHBondContact CA-OE2 3.44Å; G260-E263 PolarHBondContact O-N 3.47Å; G260-Y264 PolarHBondContact O-N 3.36Å
261V95Very high94.6Very high2 Ų240.3 Ų40.31%0.01220%0.198CC..Hα-helixtrans-65.1-34.2-175.2172.70000112.6F23 I241 M256 L265F23-V261 HydrophobicContact CD1-CG1 3.82Å; F23-V261 HydrophobicContact CE1-CG1 3.46Å; F23-V261 VanDerWaalsContact CE1-CG1 3.46Å; I241-V261 HydrophobicContact CD1-CG2 3.47Å; I241-V261 VanDerWaalsContact CD1-CG2 3.47Å; I241-V261 HydrophobicContact CG1-CG2 4.18Å; M256-V261 HydrophobicContact CB-CB 4.4Å; M256-V261 HydrophobicContact CB-CG2 4.06Å; M256-V261 WeakPolarHBondContact O-CB 3.48Å; M256-V261 VanDerWaalsContact O-CG2 3.23Å; M256-V261 WeakPolarHBondContact O-CG2 3.4Å; M256-V261 PolarHBondContact O-N 3.37Å; V261-L265 HydrophobicContact CG1-CD1 4.02Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CG 3.4Å; V261-L265 PolarHBondContact O-N 3.08Å
262I92.8Very high94.4Very high2 Ų245.9 Ų45.91%0.0123%0.229CC..Hα-helixtrans-65.8-46.1-178.3-66173.3000109.8L26 E257 G260 L265 N266 I273 M275 R278L26-I262 HydrophobicContact CB-CD1 4.41Å; L26-I262 HydrophobicContact CB-CG1 4.21Å; L26-I262 HydrophobicContact CD1-CG1 4.48Å; L26-I262 HydrophobicContact CD2-CD1 3.97Å; L26-I262 HydrophobicContact CD2-CG1 4.36Å; E257-I262 HydrophobicContact CG-CD1 4.45Å; G260-I262 VanDerWaalsContact C-N 3.31Å; G260-I262 PolarHBondContact O-N 3.45Å; I262-L265 PolarHBondContact O-N 3.49Å; I262-N266 WeakPolarHBondContact O-CB 3.43Å; I262-N266 PolarHBondContact O-N 3.24Å; I262-I273 HydrophobicContact CG2-CD1 4.04Å; I262-M275 HydrophobicContact CG2-SD 4.21Å; I262-R278 HydrophobicContact CD1-CG 4.36Å
263E92.7Very high94Very high81 Ų8146.9 Ų46.938%0.37923%0.234SC..Hα-helixtrans-62.5-45.4-179.4-63.475.1-168.300110.3G260 L265 N266 E267 R278G260-E263 WeakPolarHBondContact CA-OE2 3.44Å; G260-E263 PolarHBondContact O-N 3.47Å; E263-L265 PolarHBondContact O-N 2.77Å; E263-N266 WeakPolarHBondContact O-CB 3.45Å; E263-N266 PolarHBondContact O-N 3.19Å; E263-E267 PolarHBondContact O-N 2.7Å; E263-E267 VanDerWaalsContact O-N 3.15Å; E263-R278 IonicContact OE1-CZ 2.79Å; E263-R278 IonicContact OE1-NH1 3.74Å; E263-R278 PolarHBondContact OE1-NH1 2.98Å
264Y96.1Very high93.5Very high31 Ų3150.1 Ų50.112%0.12225%0.251CS..Hα-helixtrans-58.5-49.5175.3-178.6-98.4000112.5D211 L212 Q239 G260 N266 E267 R268D211-Y264 HydrophobicContact CB-CE1 4.32Å; D211-Y264 WeakPolarHBondContact CB-OH 3.28Å; D211-Y264 PolarHBondContact O-OH 2.91Å; L212-Y264 HydrophobicContact CD1-CD1 3.94Å; L212-Y264 HydrophobicContact CD1-CE1 4.1Å; L212-Y264 HydrophobicContact CD2-CD1 3.49Å; L212-Y264 VanDerWaalsContact CD2-CD1 3.49Å; L212-Y264 HydrophobicContact CD2-CE1 3.45Å; L212-Y264 VanDerWaalsContact CD2-CE1 3.45Å; L212-Y264 HydrophobicContact CD2-CG 4.07Å; L212-Y264 HydrophobicContact CG-CD1 3.79Å; L212-Y264 HydrophobicContact CG-CE1 3.53Å; Q239-Y264 HydrophobicContact CG-CD2 4.36Å; Q239-Y264 HydrophobicContact CG-CE2 3.69Å; Q239-Y264 PolarHBondContact NE2-OH 3.22Å; Q239-Y264 VanDerWaalsContact NE2-OH 3.08Å; G260-Y264 PolarHBondContact O-N 3.36Å; Y264-N266 VanDerWaalsContact C-N 3.28Å; Y264-N266 PolarHBondContact O-N 3.2Å; Y264-E267 PolarHBondContact O-N 3.13Å; Y264-R268 HydrophobicContact CD1-CB 4.45Å; Y264-R268 HydrophobicContact CE1-CB 4.12Å; Y264-R268 HydrophobicContact CE1-CG 4.23Å; Y264-R268 VanDerWaalsContact O-CB 3.24Å; Y264-R268 WeakPolarHBondContact O-CB 3.29Å; Y264-R268 PolarHBondContact O-N 3.03Å
265L96.2Very high92.8Very high2 Ų253.5 Ų53.51%0.0127%0.268CS..Hα-helixtrans-64.8-35179.6-69.8177.6000111.9I4 F23 L27 L212 V261 I262 E263 L269I4-L265 HydrophobicContact CD1-CD1 4.02Å; I4-L265 HydrophobicContact CD1-CD2 4.05Å; F23-L265 HydrophobicContact CD1-CD1 3.87Å; F23-L265 HydrophobicContact CE1-CD1 4.28Å; L27-L265 HydrophobicContact CD1-CD1 4.42Å; L27-L265 HydrophobicContact CD2-CD1 4.25Å; L212-L265 HydrophobicContact CD1-CD2 4.42Å; V261-L265 HydrophobicContact CG1-CD1 4.02Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CG 3.4Å; V261-L265 PolarHBondContact O-N 3.08Å; I262-L265 PolarHBondContact O-N 3.49Å; E263-L265 PolarHBondContact O-N 2.77Å; L265-L269 HydrophobicContact CD2-CD1 4.27Å; L265-L269 VanDerWaalsContact O-CB 3.27Å; L265-L269 WeakPolarHBondContact O-CB 3.37Å; L265-L269 PolarHBondContact O-N 3.24Å
266N94.5Very high92.2Very high59 Ų5956.5 Ų56.532%0.31629%0.291SS..Hα-helixtrans-60.2-46.7176.8-165.549.9000111.7I262 E263 Y264 Q270 L271 I273I262-N266 WeakPolarHBondContact O-CB 3.43Å; I262-N266 PolarHBondContact O-N 3.24Å; E263-N266 WeakPolarHBondContact O-CB 3.45Å; E263-N266 PolarHBondContact O-N 3.19Å; Y264-N266 VanDerWaalsContact C-N 3.28Å; Y264-N266 PolarHBondContact O-N 3.2Å; N266-Q270 WeakPolarHBondContact O-CA 3.41Å; N266-Q270 PolarHBondContact O-N 2.96Å; N266-L271 PolarHBondContact O-N 3.02Å; N266-L271 VanDerWaalsContact O-N 3.15Å; N266-L271 PolarHBondContact OD1-O 3.21Å; N266-I273 HydrophobicContact CB-CD1 3.97Å
267E95.2Very high91.3Very high160 Ų16061.5 Ų61.575%0.74831%0.313SS*.Hα-helixtrans-69.5-51.1177.5-175.5178.8170.700111.5E263 Y264 L269 Q270E263-E267 PolarHBondContact O-N 2.7Å; E263-E267 VanDerWaalsContact O-N 3.15Å; Y264-E267 PolarHBondContact O-N 3.13Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.02Å; E267-Q270 PolarHBondContact O-N 2.88Å
268R97.2Very high90.7Very high43 Ų4362.4 Ų62.416%0.16232%0.315CS..Hα-helixtrans-64.3-35.7-173.9-178.959-174.476.110.1113.3R171 F174 D211 Y264R171-R268 PolarHBondContact O-NH1 3.42Å; R171-R268 PolarHBondContact O-NH2 3.05Å; F174-R268 PolarHBondContact O-NH1 2.84Å; F174-R268 PolarHBondContact O-NH2 3.26Å; D211-R268 IonicContact OD1-CZ 3.8Å; D211-R268 IonicContact OD1-NE 3.77Å; D211-R268 PolarHBondContact OD1-NE 3.25Å; D211-R268 IonicContact OD1-NH2 3.43Å; D211-R268 PolarHBondContact OD1-NH2 2.89Å; D211-R268 VanDerWaalsContact OD1-NH2 3.08Å; D211-R268 IonicContact OD2-CZ 3.26Å; D211-R268 IonicContact OD2-NE 2.75Å; D211-R268 IonicContact OD2-NH2 3.39Å; D211-R268 PolarHBondContact OD2-NH2 2.91Å; Y264-R268 HydrophobicContact CD1-CB 4.45Å; Y264-R268 HydrophobicContact CE1-CB 4.12Å; Y264-R268 HydrophobicContact CE1-CG 4.23Å; Y264-R268 VanDerWaalsContact O-CB 3.24Å; Y264-R268 WeakPolarHBondContact O-CB 3.29Å; Y264-R268 PolarHBondContact O-N 3.03Å
269L97.5Very high89.9Confident0 Ų059.5 Ų59.50%031%0.308CS..Hα-helixtrans-106-1.4-178.2-63.7174.3000113.4K2 I4 E172 C175 L265 E267 L271K2-L269 HydrophobicContact CB-CD1 4.26Å; K2-L269 HydrophobicContact CB-CD2 4.4Å; K2-L269 HydrophobicContact CD-CB 4.35Å; K2-L269 WeakPolarHBondContact CE-O 3.31Å; K2-L269 HydrophobicContact CG-CB 4.4Å; K2-L269 PolarHBondContact NZ-O 2.94Å; I4-L269 HydrophobicContact CD1-CD1 4.07Å; I4-L269 HydrophobicContact CG1-CD1 3.93Å; E172-L269 CarbonylContact O-C 3.49Å; E172-L269 WeakPolarHBondContact O-CA 3.14Å; C175-L269 HydrophobicContact CB-CD1 4.2Å; C175-L269 HydrophobicContact CB-CD2 3.77Å; C175-L269 HydrophobicContact CB-CG 4.14Å; L265-L269 HydrophobicContact CD2-CD1 4.27Å; L265-L269 VanDerWaalsContact O-CB 3.27Å; L265-L269 WeakPolarHBondContact O-CB 3.37Å; L265-L269 PolarHBondContact O-N 3.24Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.02Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L269-L271 HydrophobicContact CB-CD1 4.15Å; L269-L271 HydrophobicContact CB-CD2 4.42Å; L269-L271 HydrophobicContact CB-CG 3.86Å; L269-L271 HydrophobicContact CD1-CD1 4.29Å; L269-L271 PolarHBondContact O-N 3.31Å
270Q96Very high89Confident123 Ų12365.7 Ų65.758%0.57533%0.332SS*.THydrogen-bonded Turntrans50.852.9-178.5-60.9160.50.200111.4E172 N266 E267E172-Q270 HydrophobicContact CB-CG 4.38Å; N266-Q270 WeakPolarHBondContact O-CA 3.41Å; N266-Q270 PolarHBondContact O-N 2.96Å; E267-Q270 PolarHBondContact O-N 2.88Å
271L93.5Very high88.4Confident17 Ų1766.2 Ų66.29%0.08933%0.331CS..  trans-82156.2179.9-66.3169.5000110.6K2 L27 L32 V141 N266 L269 I273K2-L271 HydrophobicContact CB-CD2 4.48Å; K2-L271 HydrophobicContact CG-CD2 3.7Å; L27-L271 HydrophobicContact CD2-CD1 4.03Å; L32-L271 HydrophobicContact CD1-CD1 4.05Å; L32-L271 HydrophobicContact CD1-CD2 4.22Å; V141-L271 HydrophobicContact CG2-CD2 3.97Å; N266-L271 PolarHBondContact O-N 3.02Å; N266-L271 VanDerWaalsContact O-N 3.15Å; N266-L271 PolarHBondContact OD1-O 3.21Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L269-L271 HydrophobicContact CB-CD1 4.15Å; L269-L271 HydrophobicContact CB-CD2 4.42Å; L269-L271 HydrophobicContact CB-CG 3.86Å; L269-L271 HydrophobicContact CD1-CD1 4.29Å; L269-L271 PolarHBondContact O-N 3.31Å; L271-I273 HydrophobicContact CB-CD1 4.15Å; L271-I273 HydrophobicContact CB-CG1 3.93Å; L271-I273 HydrophobicContact CD1-CD1 4.23Å
272N89.1Confident87.9Confident150 Ų15066.1 Ų66.180%0.80233%0.331SS*.  trans-102.785.4171-69.5-24.1000108.3
273I87Confident87.7Confident26 Ų2669.8 Ų69.813%0.13335%0.348CS..  trans-94.6127.2-176.5-68.7176.9000110.9L27 C30 L32 I262 N266 L271 M275L27-I273 HydrophobicContact CD2-CD1 4.37Å; C30-I273 HydrophobicContact CB-CG1 4.36Å; C30-I273 HydrophobicContact CB-CG2 3.66Å; L32-I273 HydrophobicContact CD1-CG1 4.07Å; I262-I273 HydrophobicContact CG2-CD1 4.04Å; N266-I273 HydrophobicContact CB-CD1 3.97Å; L271-I273 HydrophobicContact CB-CD1 4.15Å; L271-I273 HydrophobicContact CB-CG1 3.93Å; L271-I273 HydrophobicContact CD1-CD1 4.23Å; I273-M275 HydrophobicContact CG2-CG 4.24Å; I273-M275 HydrophobicContact CG2-SD 3.68Å; I273-M275 PolarHBondContact O-N 3.18Å
274D82.7Confident87.4Confident68 Ų6870.9 Ų70.936%0.36435%0.353SS..  trans-88.596169.2-1790.1000110S276 K277D274-S276 VanDerWaalsContact CG-OG 3.26Å; D274-S276 PolarHBondContact O-N 3.36Å; D274-S276 VanDerWaalsContact O-N 3.12Å; D274-S276 VanDerWaalsContact OD1-CB 3.29Å; D274-S276 WeakPolarHBondContact OD1-CB 3.48Å; D274-S276 PolarHBondContact OD1-N 3.21Å; D274-S276 PolarHBondContact OD1-OG 3.39Å; D274-S276 PolarHBondContact OD2-OG 3.41Å; D274-K277 HydrophobicContact CB-CD 4.31Å; D274-K277 HydrophobicContact CB-CG 4.47Å; D274-K277 PolarHBondContact O-N 3.31Å; D274-K277 VanDerWaalsContact OD2-CE 3.28Å; D274-K277 WeakPolarHBondContact OD2-CE 3.31Å
275M80.6Confident87.1Confident87 Ų8770 Ų7043%0.42935%0.35SS..Hα-helixtrans-61.9-19.2-178.3-64.3-66.9-86.100113.1I262 I273 K277 R278I262-M275 HydrophobicContact CG2-SD 4.21Å; I273-M275 HydrophobicContact CG2-CG 4.24Å; I273-M275 HydrophobicContact CG2-SD 3.68Å; I273-M275 PolarHBondContact O-N 3.18Å; M275-K277 VanDerWaalsContact C-N 3.27Å; M275-K277 PolarHBondContact O-N 3.33Å; M275-R278 WeakPolarHBondContact O-CB 3.37Å; M275-R278 PolarHBondContact O-N 2.88Å
276S81.1Confident86.9Confident86 Ų8673.6 Ų73.660%0.60136%0.363SS*.Hα-helixtrans-67.2-28.3179.174.80000112.9D274D274-S276 VanDerWaalsContact CG-OG 3.26Å; D274-S276 PolarHBondContact O-N 3.36Å; D274-S276 VanDerWaalsContact O-N 3.12Å; D274-S276 VanDerWaalsContact OD1-CB 3.29Å; D274-S276 WeakPolarHBondContact OD1-CB 3.48Å; D274-S276 PolarHBondContact OD1-N 3.21Å; D274-S276 PolarHBondContact OD1-OG 3.39Å; D274-S276 PolarHBondContact OD2-OG 3.41Å
277K78.5Confident86.7Confident106 Ų10672.9 Ų72.946%0.46136%0.359SS..Hα-helixtrans-76.9-28.8-179-66.8-179.6-178.9173.60113.1S29 D274 M275 T279 K280 C281S29-K277 CarbonylContact O-C 3.55Å; D274-K277 HydrophobicContact CB-CD 4.31Å; D274-K277 HydrophobicContact CB-CG 4.47Å; D274-K277 PolarHBondContact O-N 3.31Å; D274-K277 VanDerWaalsContact OD2-CE 3.28Å; D274-K277 WeakPolarHBondContact OD2-CE 3.31Å; M275-K277 VanDerWaalsContact C-N 3.27Å; M275-K277 PolarHBondContact O-N 3.33Å; K277-T279 VanDerWaalsContact C-N 3.34Å; K277-T279 PolarHBondContact O-N 3.17Å; K277-K280 PolarHBondContact O-N 2.81Å; K277-C281 PolarHBondContact O-N 3Å
278R79.8Confident86.5Confident38 Ų3865.9 Ų65.914%0.14333%0.327CS..Hα-helixtrans-50.8-51-177.4177.6179.4164.4175.8-7.8111.9S29 E257 I262 E263 M275 K280 C281 L282S29-R278 PolarHBondContact O-N 3.41Å; E257-R278 IonicContact OE1-CZ 3.91Å; E257-R278 VanDerWaalsContact OE1-CZ 3.26Å; E257-R278 IonicContact OE1-NE 3.42Å; E257-R278 PolarHBondContact OE1-NE 2.8Å; E257-R278 IonicContact OE1-NH2 2.75Å; E257-R278 PolarHBondContact OE1-NH2 3.47Å; I262-R278 HydrophobicContact CD1-CG 4.36Å; E263-R278 IonicContact OE1-CZ 2.79Å; E263-R278 IonicContact OE1-NH1 3.74Å; E263-R278 PolarHBondContact OE1-NH1 2.98Å; M275-R278 WeakPolarHBondContact O-CB 3.37Å; M275-R278 PolarHBondContact O-N 2.88Å; R278-K280 PolarHBondContact O-N 3.4Å; R278-C281 PolarHBondContact O-N 3.28Å; R278-L282 HydrophobicContact CG-CD1 3.57Å; R278-L282 HydrophobicContact CG-CG 4.33Å; R278-L282 WeakPolarHBondContact O-CB 3.29Å; R278-L282 WeakPolarHBondContact O-CG 3.32Å; R278-L282 PolarHBondContact O-N 2.87Å
279T75.6Confident86.2Confident90 Ų9063.9 Ų63.955%0.55232%0.319SS*.Hα-helixtrans-60.3-47.2-172.1-52.80000112.4K277 Q283K277-T279 VanDerWaalsContact C-N 3.34Å; K277-T279 PolarHBondContact O-N 3.17Å; T279-Q283 PolarHBondContact O-N 2.94Å; T279-Q283 VanDerWaalsContact O-N 3.1Å
280K74.2Confident85.9Confident180 Ų18068.8 Ų68.878%0.78334%0.338SS*.Hα-helixtrans-69.1-41.8-176.4-173.6179.2178.9-178.90111.8K277 R278K277-K280 PolarHBondContact O-N 2.81Å; R278-K280 PolarHBondContact O-N 3.4Å
281C80.5Confident85.6Confident40 Ų4064.7 Ų64.727%0.2732%0.317SS..Hα-helixtrans-70.9-44.1-179-178.20000111.5S29 K277 R278 Q283 Q284S29-C281 VanDerWaalsContact CA-SG 3.58Å; S29-C281 WeakPolarHBondContact CB-SG 3.38Å; K277-C281 PolarHBondContact O-N 3Å; R278-C281 PolarHBondContact O-N 3.28Å; C281-Q283 PolarHBondContact O-N 2.95Å; C281-Q284 PolarHBondContact O-N 3.19Å
282L85.3Confident85.4Confident0 Ų066.1 Ų66.10%033%0.326CS..Hα-helixtrans-69.6-20.3178.2-65-178.4000113.2L26 E257 R278 Q284 W285 R286L26-L282 HydrophobicContact CD2-CD1 4.26Å; L26-L282 HydrophobicContact CD2-CD2 4.16Å; E257-L282 HydrophobicContact CB-CD1 4.48Å; E257-L282 HydrophobicContact CG-CD1 3.94Å; E257-L282 WeakPolarHBondContact OE1-CD1 3.49Å; E257-L282 WeakPolarHBondContact OE2-CD1 3.2Å; R278-L282 HydrophobicContact CG-CD1 3.57Å; R278-L282 HydrophobicContact CG-CG 4.33Å; R278-L282 WeakPolarHBondContact O-CB 3.29Å; R278-L282 WeakPolarHBondContact O-CG 3.32Å; R278-L282 PolarHBondContact O-N 2.87Å; L282-Q284 VanDerWaalsContact C-N 3.26Å; L282-Q284 PolarHBondContact O-N 2.96Å; L282-W285 PolarHBondContact O-N 2.77Å; L282-W285 VanDerWaalsContact O-N 3.17Å; L282-R286 WeakPolarHBondContact O-CG 3.41Å; L282-R286 PolarHBondContact O-N 3.01Å
283Q88.6Confident85.4Confident79 Ų7963.9 Ų63.937%0.36931%0.311SS..Hα-helixtrans-58.5-39172.4-169.457.741.800112.2T279 C281 W285 R286 D287T279-Q283 PolarHBondContact O-N 2.94Å; T279-Q283 VanDerWaalsContact O-N 3.1Å; C281-Q283 PolarHBondContact O-N 2.95Å; Q283-W285 VanDerWaalsContact C-N 3.31Å; Q283-W285 PolarHBondContact O-N 3.06Å; Q283-R286 PolarHBondContact O-N 2.68Å; Q283-D287 PolarHBondContact NE2-OD1 2.9Å; Q283-D287 PolarHBondContact O-N 3.26Å
284Q87.1Confident85.5Confident104 Ų10465.3 Ų65.349%0.48632%0.321SS..Hα-helixtrans-62.4-40177.1-65.7-178.5-26.400111.8C281 L282 D287 L288 L534C281-Q284 PolarHBondContact O-N 3.19Å; L282-Q284 VanDerWaalsContact C-N 3.26Å; L282-Q284 PolarHBondContact O-N 2.96Å; Q284-D287 PolarHBondContact O-N 2.94Å; Q284-L288 WeakPolarHBondContact O-CB 3.46Å; Q284-L288 PolarHBondContact O-N 3.46Å; Q284-L534 HydrophobicContact CB-CD1 4.28Å; Q284-L534 HydrophobicContact CB-CD2 4.24Å
285W90.1Very high85.9Confident13 Ų1363 Ų635%0.04931%0.309CS..Hα-helixtrans-68.7-39.9176.3-70.495.5000112.3T25 F77 Y250 L254 L282 Q283 L288 A289T25-W285 HydrophobicContact CG2-CD2 4.11Å; T25-W285 HydrophobicContact CG2-CH2 4.24Å; T25-W285 HydrophobicContact CG2-CZ2 3.46Å; T25-W285 VanDerWaalsContact CG2-CZ2 3.46Å; F77-W285 HydrophobicContact CB-CH2 4.45Å; F77-W285 AromaticContact CD1-CH2 3.5Å; F77-W285 HydrophobicContact CD1-CH2 3.5Å; F77-W285 VanDerWaalsContact CD1-CH2 3.5Å; F77-W285 HydrophobicContact CD1-CZ2 4.49Å; F77-W285 AromaticContact CD1-CZ3 3.73Å; F77-W285 HydrophobicContact CD1-CZ3 3.73Å; F77-W285 HydrophobicContact CE1-CH2 4.11Å; F77-W285 AromaticContact CE1-CZ3 3.85Å; F77-W285 HydrophobicContact CE1-CZ3 3.85Å; F77-W285 HydrophobicContact CG-CH2 4.25Å; F77-W285 WeakPolarHBondContact O-CZ2 3.46Å; Y250-W285 HydrophobicContact CD1-CE3 4.4Å; Y250-W285 AromaticContact CD1-CZ3 3.8Å; Y250-W285 HydrophobicContact CD1-CZ3 3.8Å; Y250-W285 HydrophobicContact CE1-CZ3 4.48Å; L254-W285 HydrophobicContact CD2-CB 4.13Å; L282-W285 PolarHBondContact O-N 2.77Å; L282-W285 VanDerWaalsContact O-N 3.17Å; Q283-W285 VanDerWaalsContact C-N 3.31Å; Q283-W285 PolarHBondContact O-N 3.06Å; W285-L288 HydrophobicContact CE3-CD2 4.47Å; W285-L288 PolarHBondContact O-N 3.33Å; W285-A289 WeakPolarHBondContact O-CB 3.36Å; W285-A289 PolarHBondContact O-N 2.84Å
286R91.3Very high86.3Confident76 Ų7668.8 Ų68.829%0.28733%0.327SS..Hα-helixtrans-61.8-44.2174-68.9-179.5-164.7118.25.2111.7L254 E257 L282 Q283 A289 R290L254-R286 HydrophobicContact CD1-CB 4.44Å; L254-R286 HydrophobicContact CD1-CG 3.88Å; L254-R286 HydrophobicContact CD2-CG 3.56Å; L254-R286 HydrophobicContact CG-CG 4.37Å; E257-R286 VanDerWaalsContact CD-NH2 3.29Å; E257-R286 IonicContact OE1-NH2 2.94Å; E257-R286 PolarHBondContact OE1-NH2 2.88Å; E257-R286 IonicContact OE2-CZ 2.9Å; E257-R286 IonicContact OE2-NE 2.66Å; E257-R286 IonicContact OE2-NH2 3.78Å; E257-R286 PolarHBondContact OE2-NH2 3.15Å; L282-R286 WeakPolarHBondContact O-CG 3.41Å; L282-R286 PolarHBondContact O-N 3.01Å; Q283-R286 PolarHBondContact O-N 2.68Å; R286-A289 PolarHBondContact O-N 3.37Å; R286-R290 WeakPolarHBondContact O-CB 3.37Å; R286-R290 PolarHBondContact O-N 3.1Å
287D89.8Confident86.9Confident45 Ų4568.3 Ų68.324%0.24131%0.312CS..Hα-helixtrans-65.2-42.1178.8-66.2-22.4000111.2Q283 Q284 R290 R291Q283-D287 PolarHBondContact NE2-OD1 2.9Å; Q283-D287 PolarHBondContact O-N 3.26Å; Q284-D287 PolarHBondContact O-N 2.94Å; D287-R290 IonicContact OD1-NH1 3.04Å; D287-R291 VanDerWaalsContact O-CG 3.31Å; D287-R291 WeakPolarHBondContact O-CG 3.01Å; D287-R291 PolarHBondContact O-N 3.25Å
288L90.9Very high87.7Confident12 Ų1268.2 Ų68.26%0.06331%0.313CS..Hα-helixtrans-64.7-45.8176.5-179.267.2000112.3Y250 Q284 W285 R291 T292 L326 P533Y250-L288 HydrophobicContact CD1-CD2 3.93Å; Y250-L288 HydrophobicContact CD2-CD2 3.76Å; Y250-L288 HydrophobicContact CD2-CG 3.8Å; Y250-L288 HydrophobicContact CE1-CD2 4.12Å; Y250-L288 HydrophobicContact CE2-CD1 4.49Å; Y250-L288 HydrophobicContact CE2-CD2 3.98Å; Y250-L288 HydrophobicContact CE2-CG 4.16Å; Y250-L288 HydrophobicContact CG-CD2 3.75Å; Y250-L288 HydrophobicContact CG-CG 4.16Å; Q284-L288 WeakPolarHBondContact O-CB 3.46Å; Q284-L288 PolarHBondContact O-N 3.46Å; W285-L288 HydrophobicContact CE3-CD2 4.47Å; W285-L288 PolarHBondContact O-N 3.33Å; L288-R291 PolarHBondContact O-N 2.88Å; L288-T292 PolarHBondContact O-N 3.42Å; L288-T292 PolarHBondContact O-OG1 2.88Å; L288-L326 HydrophobicContact CD1-CB 4.45Å; L288-L326 HydrophobicContact CD1-CD1 4Å; L288-P533 HydrophobicContact CD2-CB 3.51Å
289A91.7Very high88.6Confident1 Ų166.4 Ų66.41%0.00831%0.306CS..Hα-helixtrans-59.8-49.117700000110.6L254 W285 R286 R291 T292L254-A289 HydrophobicContact CD1-CB 3.82Å; W285-A289 WeakPolarHBondContact O-CB 3.36Å; W285-A289 PolarHBondContact O-N 2.84Å; R286-A289 PolarHBondContact O-N 3.37Å; A289-R291 PolarHBondContact O-N 2.93Å; A289-T292 WeakPolarHBondContact O-CB 3.4Å; A289-T292 PolarHBondContact O-N 3.27Å
290R90.7Very high89.6Confident104 Ų10462.7 Ų62.739%0.39228%0.284SS..Hα-helixtrans-57-45.4177.2-171.7176.781.4-140.61.3112.3R286 D287 T292 E293 T294 D568R286-R290 WeakPolarHBondContact O-CB 3.37Å; R286-R290 PolarHBondContact O-N 3.1Å; D287-R290 IonicContact OD1-NH1 3.04Å; R290-T292 PolarHBondContact O-N 3.28Å; R290-E293 PolarHBondContact O-N 3.39Å; R290-T294 HydrophobicContact CG-CG2 3.94Å; R290-T294 WeakPolarHBondContact O-CG2 3.47Å; R290-T294 PolarHBondContact O-N 3.19Å; R290-T294 PolarHBondContact O-OG1 3.01Å; R290-D568 IonicContact CZ-OD2 3.24Å; R290-D568 IonicContact NE-OD2 2.81Å; R290-D568 PolarHBondContact NE-OD2 3.35Å; R290-D568 IonicContact NH2-OD2 2.65Å; R290-D568 PolarHBondContact NH2-OD2 3.1Å
291R90.1Very high90.8Very high37 Ų3754.1 Ų54.114%0.1425%0.246CC..Hα-helixtrans-59.7-33.3178-75.8177.5-168.5-1797.3113D287 L288 A289 E293 T294 V295 L566D287-R291 VanDerWaalsContact O-CG 3.31Å; D287-R291 WeakPolarHBondContact O-CG 3.01Å; D287-R291 PolarHBondContact O-N 3.25Å; L288-R291 PolarHBondContact O-N 2.88Å; A289-R291 PolarHBondContact O-N 2.93Å; R291-E293 PolarHBondContact O-N 3.07Å; R291-T294 PolarHBondContact O-N 2.91Å; R291-V295 WeakPolarHBondContact O-CB 3.37Å; R291-V295 WeakPolarHBondContact O-CG2 3.25Å; R291-V295 PolarHBondContact O-N 3.2Å; R291-L566 VanDerWaalsContact NH2-CB 3.28Å; R291-L566 PolarHBondContact NH2-O 2.76Å
292T88.6Confident91.6Very high46 Ų4652.2 Ų52.228%0.28223%0.234SC..Hα-helixtrans-64.3-26.9178.9-49.20000111.5L288 A289 R290 L326L288-T292 PolarHBondContact O-N 3.42Å; L288-T292 PolarHBondContact O-OG1 2.88Å; A289-T292 WeakPolarHBondContact O-CB 3.4Å; A289-T292 PolarHBondContact O-N 3.27Å; R290-T292 PolarHBondContact O-N 3.28Å; T292-L326 HydrophobicContact CG2-CD2 4.29Å
293E88.8Confident92.2Very high103 Ų10352.2 Ų52.248%0.48123%0.234SC..Hα-helixtrans-95.5-28.9-179.6-57.2-176145.500113.4N247 H251 R290 R291N247-E293 HydrophobicContact CB-CG 4.4Å; N247-E293 PolarHBondContact ND2-OE1 3.32Å; H251-E293 IonicContact CE1-OE1 3.96Å; H251-E293 PolarHBondContact CE1-OE1 3.32Å; H251-E293 IonicContact CE1-OE2 3.68Å; H251-E293 IonicContact NE2-OE1 3.76Å; H251-E293 PolarHBondContact NE2-OE1 3.34Å; R290-E293 PolarHBondContact O-N 3.39Å; R291-E293 PolarHBondContact O-N 3.07Å
294T90.3Very high92.6Very high56 Ų5648.5 Ų48.534%0.34422%0.216SC..Hα-helixtrans-86.1-19.5-175.759.50000114.1R290 R291 R296 D568R290-T294 HydrophobicContact CG-CG2 3.94Å; R290-T294 WeakPolarHBondContact O-CG2 3.47Å; R290-T294 PolarHBondContact O-N 3.19Å; R290-T294 PolarHBondContact O-OG1 3.01Å; R291-T294 PolarHBondContact O-N 2.91Å; T294-R296 PolarHBondContact O-N 3.43Å; T294-D568 PolarHBondContact OG1-OD1 2.9Å
295V90.3Very high92.9Very high19 Ų1943.5 Ų43.512%0.11519%0.193CC..  trans-76.3121.1-173.1172.10000111.9R291 N329 K331R291-V295 WeakPolarHBondContact O-CB 3.37Å; R291-V295 WeakPolarHBondContact O-CG2 3.25Å; R291-V295 PolarHBondContact O-N 3.2Å; V295-N329 WeakPolarHBondContact CG1-O 3.37Å; V295-N329 HydrophobicContact CG2-CB 3.94Å; V295-K331 HydrophobicContact CG1-CB 4.1Å
296R89.1Confident92.7Very high209 Ų20944 Ų4479%0.78920%0.195SC*.  trans-109.2-32.7-174.8-63.9176.1-177.5164.8-0.5115.1T294 E298T294-R296 PolarHBondContact O-N 3.43Å; R296-E298 PolarHBondContact O-N 3.15Å
297R93.9Very high92.1Very high76 Ų7641.6 Ų41.629%0.28719%0.186SC..  trans-74121-175.6-72.5-179.2173.4-165.3-13.1109.9R330 K331 S571 D575R297-R330 CarbonylContact O-C 3.52Å; R297-R330 VanDerWaalsContact O-CA 3.3Å; R297-R330 WeakPolarHBondContact O-CA 3.23Å; R297-R330 VanDerWaalsContact O-CD 3.32Å; R297-R330 WeakPolarHBondContact O-CD 3.43Å; R297-K331 PolarHBondContact O-N 3.06Å; R297-S571 PolarHBondContact NE-O 3.27Å; R297-S571 PolarHBondContact NH1-O 2.9Å; R297-S571 PolarHBondContact NH2-O 2.73Å; R297-D575 IonicContact CZ-OD2 3.83Å; R297-D575 IonicContact NH1-OD2 3.71Å; R297-D575 PolarHBondContact NH1-OD2 3.36Å; R297-D575 IonicContact NH2-OD2 3.38Å
298E95.5Very high91.6Very high104 Ų10440.9 Ų40.949%0.48618%0.183SC..EExtended strand (participates in β ladder)trans-84.2145.3-175.2-67.4178160.300111.4R296 K331R296-E298 PolarHBondContact O-N 3.15Å; E298-K331 CarbonylContact C-O 3.6Å; E298-K331 VanDerWaalsContact CA-O 3.29Å; E298-K331 WeakPolarHBondContact CA-O 3.44Å; E298-K331 HydrophobicContact CG-CB 4.12Å; E298-K331 HydrophobicContact CG-CD 4.02Å; E298-K331 HydrophobicContact CG-CG 4.3Å; E298-K331 IonicContact OE1-NZ 2.74Å; E298-K331 PolarHBondContact OE1-NZ 2.89Å
299V97.4Very high90.9Very high1 Ų147.8 Ų47.81%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-127.8112.8167.762.40000107.6I301 R330 K331 L332 E333 H365 I544 V548V299-I301 HydrophobicContact CG2-CD1 4.09Å; V299-I301 HydrophobicContact CG2-CG1 4.38Å; V299-R330 HydrophobicContact CB-CB 4.12Å; V299-R330 HydrophobicContact CB-CG 4.46Å; V299-R330 HydrophobicContact CG1-CB 3.6Å; V299-R330 HydrophobicContact CG1-CG 4.38Å; V299-K331 PolarHBondContact N-O 3.28Å; V299-L332 HydrophobicContact CG1-CD1 4.26Å; V299-E333 PolarHBondContact O-N 3.24Å; V299-H365 HydrophobicContact CG2-CB 4.44Å; V299-I544 HydrophobicContact CG1-CD1 4.46Å; V299-I544 HydrophobicContact CG1-CG2 4.45Å; V299-V548 HydrophobicContact CB-CG1 4.24Å; V299-V548 HydrophobicContact CG2-CG1 3.9Å
300C98Very high90Very high12 Ų1253.2 Ų53.28%0.08124%0.237CC..EExtended strand (participates in β ladder)trans-86.7118.7178.5-178.70000110.6E333 H365C300-E333 WeakPolarHBondContact CA-O 3.47Å; C300-E333 HydrophobicContact CB-CB 4.35Å; C300-H365 PolarHBondContact N-ND1 2.93Å; C300-H365 PolarHBondContact O-N 2.69Å; C300-H365 PolarHBondContact O-ND1 2.97Å
301I98.3Very high89.1Confident0 Ų052.2 Ų52.20%024%0.242CC..EExtended strand (participates in β ladder)trans-117.4128.4176.6-58.6-62.2000109.1V299 L321 L332 E333 L334 V335 G366 L368 L543 I544 S547V299-I301 HydrophobicContact CG2-CD1 4.09Å; V299-I301 HydrophobicContact CG2-CG1 4.38Å; I301-L321 HydrophobicContact CG2-CD1 4.44Å; I301-L321 HydrophobicContact CG2-CD2 4.32Å; I301-L332 HydrophobicContact CB-CD1 4.16Å; I301-L332 HydrophobicContact CG1-CD1 3.78Å; I301-E333 PolarHBondContact N-O 2.91Å; I301-L334 HydrophobicContact CB-CD1 4.28Å; I301-L334 HydrophobicContact CG2-CD1 4.42Å; I301-V335 PolarHBondContact O-N 2.63Å; I301-G366 WeakPolarHBondContact CA-O 3.28Å; I301-L368 HydrophobicContact CG2-CB 4.49Å; I301-L543 HydrophobicContact CG2-CD2 4.41Å; I301-I544 HydrophobicContact CD1-CD1 3.96Å; I301-I544 HydrophobicContact CG1-CD1 3.73Å; I301-S547 WeakPolarHBondContact CD1-OG 3.31Å
302A97.8Very high88.8Confident0 Ų055 Ų550%026%0.26CS..EExtended strand (participates in β ladder)trans-91.7124.2175.500000111.3V335 I337 L361 S364 G366 I367 L368A302-V335 WeakPolarHBondContact CA-O 3.43Å; A302-V335 HydrophobicContact CB-CG2 3.78Å; A302-I337 HydrophobicContact CB-CD1 3.78Å; A302-L361 HydrophobicContact CB-CD1 3.84Å; A302-S364 WeakPolarHBondContact CB-OG 3.24Å; A302-G366 PolarHBondContact N-O 3.26Å; A302-I367 WeakPolarHBondContact O-CA 3.43Å; A302-L368 PolarHBondContact O-N 3.4Å
303V97.2Very high88.7Confident0 Ų053 Ų530%025%0.248CC..EExtended strand (participates in β ladder)trans-103.5110.9173.6-179.10000109G305 L321 L334 V335 F336 I337 L368 P370V303-G305 PolarHBondContact O-N 2.79Å; V303-L321 HydrophobicContact CG2-CD1 4.25Å; V303-L334 HydrophobicContact CG2-CD1 3.49Å; V303-L334 VanDerWaalsContact CG2-CD1 3.49Å; V303-L334 HydrophobicContact CG2-CD2 4.28Å; V303-L334 HydrophobicContact CG2-CG 4.02Å; V303-V335 PolarHBondContact N-O 3.42Å; V303-F336 HydrophobicContact CB-CD1 4.08Å; V303-F336 HydrophobicContact CB-CE1 4.3Å; V303-F336 HydrophobicContact CG1-CD1 4.23Å; V303-F336 HydrophobicContact CG1-CE1 4.27Å; V303-I337 PolarHBondContact O-N 3.45Å; V303-L368 WeakPolarHBondContact CA-O 3.43Å; V303-L368 HydrophobicContact CG1-CD2 4.11Å; V303-L368 HydrophobicContact CG2-CB 4.37Å; V303-L368 HydrophobicContact CG2-CD2 4.45Å; V303-P370 HydrophobicContact CG1-CG 4.01Å
304V97Very high88.8Confident0 Ų048.6 Ų48.60%023%0.227CC..EExtended strand (participates in β ladder)trans-91.588.8-178.2-174.90000109.5I337 L342 L361 I367 L368 V369 P370 K381 A384V304-I337 CarbonylContact C-O 3.53Å; V304-I337 WeakPolarHBondContact CA-O 3.4Å; V304-I337 HydrophobicContact CG2-CB 4.35Å; V304-L342 HydrophobicContact CG1-CD1 3.85Å; V304-L361 HydrophobicContact CG2-CD1 3.79Å; V304-I367 HydrophobicContact CG2-CG2 4.14Å; V304-L368 PolarHBondContact N-O 3.3Å; V304-V369 HydrophobicContact CB-CG2 4.47Å; V304-P370 VanDerWaalsContact O-CD 3.29Å; V304-P370 WeakPolarHBondContact O-CD 3.47Å; V304-K381 HydrophobicContact CG1-CG 4.21Å; V304-A384 HydrophobicContact CB-CB 4.49Å; V304-A384 HydrophobicContact CG1-CB 4.16Å; V304-A384 HydrophobicContact CG2-CB 4Å
305G93.3Very high88.9Confident0 Ų046.3 Ų46.30%021%0.214CC..EExtended strand (participates in β ladder)trans-111.9165.1-169.900000114.2V303 Y314 I337 S339V303-G305 PolarHBondContact O-N 2.79Å; G305-Y314 WeakPolarHBondContact CA-OH 3.32Å; G305-I337 PolarHBondContact N-O 3.17Å; G305-S339 PolarHBondContact O-N 2.9Å; G305-S339 PolarHBondContact O-OG 3.22Å
306K86.3Confident89.1Confident22 Ų2245.4 Ų45.410%0.09621%0.208CC..SBendtrans-92.2-23.5171.1173.6175.6174.6171.50112.3Y53 Y314 F373 R376Y53-K306 PolarHBondContact OH-O 3.41Å; K306-Y314 PolarHBondContact N-OH 2.89Å; K306-F373 PolarHBondContact NZ-O 3.07Å; K306-R376 HydrophobicContact CD-CB 4.47Å; K306-R376 VanDerWaalsContact CE-CZ 3.46Å; K306-R376 VanDerWaalsContact CG-NH2 3.3Å; K306-R376 PolarHBondContact O-NH2 3.11Å
307Y78.5Confident89.4Confident27 Ų2735.6 Ų35.611%0.10617%0.172CC..  trans-117.461.2-171.4-57.5-83.7000111.7P52 Y53 Y314P52-Y307 HydrophobicContact CB-CD1 4.17Å; P52-Y307 HydrophobicContact CB-CD2 4.21Å; P52-Y307 HydrophobicContact CB-CE1 4.31Å; P52-Y307 HydrophobicContact CB-CE2 4.36Å; P52-Y307 HydrophobicContact CB-CG 4.14Å; P52-Y307 HydrophobicContact CG-CD2 4.34Å; P52-Y307 HydrophobicContact CG-CE1 4.34Å; P52-Y307 HydrophobicContact CG-CE2 4.01Å; Y53-Y307 AromaticContact CD1-CD1 3.65Å; Y53-Y307 HydrophobicContact CD1-CD1 3.65Å; Y53-Y307 HydrophobicContact CD1-CG 4.35Å; Y53-Y307 AromaticContact CD2-CD1 3.51Å; Y53-Y307 HydrophobicContact CD2-CD1 3.51Å; Y53-Y307 AromaticContact CD2-CE1 3.8Å; Y53-Y307 HydrophobicContact CD2-CE1 3.8Å; Y53-Y307 VanDerWaalsContact CE1-CA 3.43Å; Y53-Y307 AromaticContact CE1-CD1 3.57Å; Y53-Y307 HydrophobicContact CE1-CD1 3.57Å; Y53-Y307 HydrophobicContact CE1-CG 4.06Å; Y53-Y307 AromaticContact CE2-CD1 3.41Å; Y53-Y307 HydrophobicContact CE2-CD1 3.41Å; Y53-Y307 VanDerWaalsContact CE2-CD1 3.41Å; Y53-Y307 AromaticContact CE2-CE1 3.87Å; Y53-Y307 HydrophobicContact CE2-CE1 3.87Å; Y53-Y307 HydrophobicContact CE2-CG 4.48Å; Y53-Y307 AromaticContact CG-CD1 3.63Å; Y53-Y307 HydrophobicContact CG-CD1 3.63Å; Y53-Y307 HydrophobicContact CG-CE1 4.22Å; Y53-Y307 AromaticContact CZ-CD1 3.45Å; Y53-Y307 VanDerWaalsContact CZ-CD1 3.45Å; Y53-Y307 WeakPolarHBondContact OH-CA 3.3Å; Y307-Y314 PolarHBondContact N-OH 3.48Å; Y307-Y314 VanDerWaalsContact O-CE2 3.28Å; Y307-Y314 WeakPolarHBondContact O-CE2 3.37Å
308T79.1Confident89.4Confident29 Ų2933.2 Ų33.218%0.17817%0.166CC..  trans-90.5-10-16953.30000114.9F336 I337 E338T308-F336 HydrophobicContact CG2-CB 4.07Å; T308-I337 WeakPolarHBondContact CG2-O 3.43Å; T308-E338 HydrophobicContact CG2-CB 4.28Å
309K77Confident89.3Confident157 Ų15729.9 Ų29.968%0.68315%0.149SC*.SBendtrans-68.3-38.8-179-66.9-174.2179.7-179.20113.1Y53Y53-K309 HydrophobicContact CE1-CB 4.26Å
310F73.8Confident89.3Confident116 Ų11629.9 Ų29.951%0.50915%0.149SC..  trans-117.9127.8-179.6-56.9-60.1000109Y53 D312 S313Y53-F310 AromaticContact CD1-CD2 3.88Å; Y53-F310 HydrophobicContact CD1-CD2 3.88Å; Y53-F310 HydrophobicContact CD1-CE2 4.45Å; F310-D312 PolarHBondContact O-N 3.32Å; F310-S313 PolarHBondContact O-N 3.2Å
311T71.7Confident89.3Confident82 Ų8229.3 Ų29.350%0.50315%0.145SC..G310 helixtrans-61.5-25.7177.547.80000112.5S313 Y314 A315 F336T311-S313 VanDerWaalsContact C-N 3.27Å; T311-S313 PolarHBondContact O-N 3.18Å; T311-Y314 CarbonylContact O-C 3.59Å; T311-Y314 PolarHBondContact O-N 3.09Å; T311-Y314 VanDerWaalsContact O-N 3.12Å; T311-A315 PolarHBondContact O-N 2.74Å; T311-F336 HydrophobicContact CG2-CE2 4.1Å
312D82.2Confident89.1Confident95 Ų9533.1 Ų33.151%0.50816%0.163SC..G310 helixtrans-70.6-22.5-173.5-64.7-5.9000113.1E57 F310 Y314 A315E57-D312 PolarHBondContact N-O 3.32Å; F310-D312 PolarHBondContact O-N 3.32Å; D312-Y314 PolarHBondContact O-N 3.28Å; D312-A315 PolarHBondContact O-N 3.15Å
313S87Confident89Confident4 Ų433.2 Ų33.23%0.02816%0.164CC..G310 helixtrans-65.2-15.4172.6-53.60000113.4P52 F310 T311P52-S313 PolarHBondContact O-OG 3.03Å; F310-S313 PolarHBondContact O-N 3.2Å; T311-S313 VanDerWaalsContact C-N 3.27Å; T311-S313 PolarHBondContact O-N 3.18Å
314Y91.5Very high88.9Confident11 Ų1133.2 Ų33.24%0.04316%0.164CC..G310 helixtrans-130.423.9177.8-65.2-63.1000112.1G305 K306 Y307 T311 D312 S316 V317 V318 F336 P370G305-Y314 WeakPolarHBondContact CA-OH 3.32Å; K306-Y314 PolarHBondContact N-OH 2.89Å; Y307-Y314 PolarHBondContact N-OH 3.48Å; Y307-Y314 VanDerWaalsContact O-CE2 3.28Å; Y307-Y314 WeakPolarHBondContact O-CE2 3.37Å; T311-Y314 CarbonylContact O-C 3.59Å; T311-Y314 PolarHBondContact O-N 3.09Å; T311-Y314 VanDerWaalsContact O-N 3.12Å; D312-Y314 PolarHBondContact O-N 3.28Å; Y314-S316 VanDerWaalsContact C-N 3.28Å; Y314-S316 PolarHBondContact O-N 3.18Å; Y314-V317 WeakPolarHBondContact O-CB 3.22Å; Y314-V317 PolarHBondContact O-N 3.33Å; Y314-V318 VanDerWaalsContact O-CG2 3.3Å; Y314-V318 WeakPolarHBondContact O-CG2 3.13Å; Y314-V318 PolarHBondContact O-N 3.24Å; Y314-F336 HydrophobicContact CD2-CD1 4.32Å; Y314-F336 AromaticContact CD2-CE1 3.91Å; Y314-F336 HydrophobicContact CD2-CE1 3.91Å; Y314-F336 HydrophobicContact CG-CE1 4.39Å; Y314-P370 HydrophobicContact CD1-CB 3.96Å; Y314-P370 HydrophobicContact CD1-CG 3.92Å; Y314-P370 HydrophobicContact CE1-CB 3.64Å; Y314-P370 HydrophobicContact CE1-CG 3.32Å
315A91.6Very high88.9Confident9 Ų933.3 Ų33.37%0.07417%0.165CC..Hα-helixtrans-57.8-36.8-172.900000113.5E57 L69 T311 D312 K319E57-A315 PolarHBondContact OE2-N 2.97Å; L69-A315 HydrophobicContact CD1-CB 4.07Å; L69-A315 HydrophobicContact CD2-CB 3.44Å; L69-A315 VanDerWaalsContact CD2-CB 3.44Å; L69-A315 HydrophobicContact CG-CB 4.32Å; T311-A315 PolarHBondContact O-N 2.74Å; D312-A315 PolarHBondContact O-N 3.15Å; A315-K319 WeakPolarHBondContact O-CB 3.32Å; A315-K319 VanDerWaalsContact O-CG 3.25Å; A315-K319 WeakPolarHBondContact O-CG 3.43Å; A315-K319 PolarHBondContact O-N 2.97Å
316S94.5Very high88.9Confident0 Ų034.2 Ų34.20%017%0.169CC..Hα-helixtrans-68-41.2176.8-62.90000111.8E57 R76 Y314 K319 A320E57-S316 VanDerWaalsContact CD-CB 3.47Å; E57-S316 VanDerWaalsContact CD-OG 3.26Å; E57-S316 WeakPolarHBondContact OE1-CB 3.12Å; E57-S316 PolarHBondContact OE1-OG 3.41Å; E57-S316 WeakPolarHBondContact OE2-CB 3.47Å; E57-S316 PolarHBondContact OE2-N 3.12Å; E57-S316 PolarHBondContact OE2-OG 3.2Å; R76-S316 VanDerWaalsContact NH2-CA 3.3Å; R76-S316 PolarHBondContact NH2-OG 2.69Å; Y314-S316 VanDerWaalsContact C-N 3.28Å; Y314-S316 PolarHBondContact O-N 3.18Å; S316-K319 PolarHBondContact O-N 3.33Å; S316-A320 VanDerWaalsContact O-CB 3.32Å; S316-A320 WeakPolarHBondContact O-CB 3.46Å; S316-A320 PolarHBondContact O-N 3.01Å
317V95.6Very high89.1Confident3 Ų333.7 Ų33.72%0.01817%0.169CC..Hα-helixtrans-62.7-46.8177.3177.40000110.3Y314 K319 A320 L321 L368 E528 F540Y314-V317 WeakPolarHBondContact O-CB 3.22Å; Y314-V317 PolarHBondContact O-N 3.33Å; V317-K319 PolarHBondContact O-N 2.98Å; V317-A320 PolarHBondContact O-N 3.12Å; V317-L321 HydrophobicContact CG1-CD1 4.15Å; V317-L321 WeakPolarHBondContact O-CG 3.27Å; V317-L321 PolarHBondContact O-N 2.95Å; V317-L368 HydrophobicContact CG1-CD1 3.91Å; V317-L368 HydrophobicContact CG1-CD2 3.65Å; V317-L368 HydrophobicContact CG1-CG 4.48Å; V317-E528 HydrophobicContact CG2-CB 4.36Å; V317-E528 HydrophobicContact CG2-CG 4.18Å; V317-F540 HydrophobicContact CG1-CE1 4.07Å; V317-F540 HydrophobicContact CG1-CZ 4.34Å
318V94.4Very high89.8Confident26 Ų2632.7 Ų32.716%0.15817%0.166CC..Hα-helixtrans-57.9-49.3176.9176.20000110.5Y314 A320 L321 Q322 L334 F336Y314-V318 VanDerWaalsContact O-CG2 3.3Å; Y314-V318 WeakPolarHBondContact O-CG2 3.13Å; Y314-V318 PolarHBondContact O-N 3.24Å; V318-A320 PolarHBondContact O-N 3.2Å; V318-L321 PolarHBondContact O-N 3.47Å; V318-Q322 VanDerWaalsContact O-CG 3.32Å; V318-Q322 WeakPolarHBondContact O-CG 3.33Å; V318-Q322 PolarHBondContact O-N 2.93Å; V318-L334 HydrophobicContact CB-CD2 4.45Å; V318-L334 HydrophobicContact CG1-CD2 4.39Å; V318-L334 HydrophobicContact CG2-CD2 3.65Å; V318-F336 HydrophobicContact CG2-CZ 3.79Å
319K93.9Very high90.5Very high34 Ų3432.7 Ų32.715%0.14817%0.165CC..Hα-helixtrans-62.3-42.6178.4-72.4169.2-172.8167.70111.7N73 A315 S316 V317 L321 Q322 H323N73-K319 PolarHBondContact OD1-NZ 2.83Å; A315-K319 WeakPolarHBondContact O-CB 3.32Å; A315-K319 VanDerWaalsContact O-CG 3.25Å; A315-K319 WeakPolarHBondContact O-CG 3.43Å; A315-K319 PolarHBondContact O-N 2.97Å; S316-K319 PolarHBondContact O-N 3.33Å; V317-K319 PolarHBondContact O-N 2.98Å; K319-L321 PolarHBondContact O-N 3.23Å; K319-Q322 PolarHBondContact O-N 3.06Å; K319-H323 PolarHBondContact O-CD2 3.05Å; K319-H323 PolarHBondContact O-N 3.31Å
320A96.8Very high91.3Very high0 Ų026.3 Ų26.30%014%0.136CC..Hα-helixtrans-64.1-40.6179.200000112.6S316 V317 V318 H323 A324 E528 F540S316-A320 VanDerWaalsContact O-CB 3.32Å; S316-A320 WeakPolarHBondContact O-CB 3.46Å; S316-A320 PolarHBondContact O-N 3.01Å; V317-A320 PolarHBondContact O-N 3.12Å; V318-A320 PolarHBondContact O-N 3.2Å; A320-H323 PolarHBondContact O-N 2.59Å; A320-A324 PolarHBondContact O-N 3.42Å; A320-A324 VanDerWaalsContact O-N 3.12Å; A320-E528 HydrophobicContact CB-CB 4Å; A320-F540 HydrophobicContact CB-CD1 4.01Å; A320-F540 HydrophobicContact CB-CD2 3.91Å; A320-F540 HydrophobicContact CB-CE1 3.93Å; A320-F540 HydrophobicContact CB-CE2 3.81Å; A320-F540 HydrophobicContact CB-CG 3.99Å; A320-F540 HydrophobicContact CB-CZ 3.83Å
321L97.3Very high92.3Very high0 Ų025.9 Ų25.90%013%0.134CC..Hα-helixtrans-63.9-42.9172.3-73.1166.3000111.7I301 V303 V317 V318 K319 H323 A324 A325 L332 L334 L368 F540 L543 I544I301-L321 HydrophobicContact CG2-CD1 4.44Å; I301-L321 HydrophobicContact CG2-CD2 4.32Å; V303-L321 HydrophobicContact CG2-CD1 4.25Å; V317-L321 HydrophobicContact CG1-CD1 4.15Å; V317-L321 WeakPolarHBondContact O-CG 3.27Å; V317-L321 PolarHBondContact O-N 2.95Å; V318-L321 PolarHBondContact O-N 3.47Å; K319-L321 PolarHBondContact O-N 3.23Å; L321-H323 PolarHBondContact O-N 3.3Å; L321-A324 PolarHBondContact O-N 3.47Å; L321-A325 VanDerWaalsContact O-CB 3.31Å; L321-A325 WeakPolarHBondContact O-CB 3.33Å; L321-A325 PolarHBondContact O-N 3.23Å; L321-L332 HydrophobicContact CB-CD1 4.33Å; L321-L332 HydrophobicContact CB-CD2 3.46Å; L321-L332 VanDerWaalsContact CB-CD2 3.46Å; L321-L334 HydrophobicContact CD1-CD1 3.54Å; L321-L368 HydrophobicContact CD1-CD1 4.28Å; L321-L368 HydrophobicContact CD2-CD1 4.17Å; L321-L368 HydrophobicContact CG-CD1 4.39Å; L321-F540 HydrophobicContact CD2-CD1 3.62Å; L321-F540 HydrophobicContact CD2-CE1 4.08Å; L321-F540 HydrophobicContact CG-CD1 3.71Å; L321-F540 HydrophobicContact CG-CE1 3.82Å; L321-L543 HydrophobicContact CD2-CD2 4.18Å; L321-I544 HydrophobicContact CD2-CD1 4.06Å
322Q94.7Very high93.5Very high80 Ų8023.6 Ų23.637%0.37412%0.119SC..Hα-helixtrans-60.9-44176.5-74.4174.2-15.500111.5V318 K319 A324 A325 L326 L332V318-Q322 VanDerWaalsContact O-CG 3.32Å; V318-Q322 WeakPolarHBondContact O-CG 3.33Å; V318-Q322 PolarHBondContact O-N 2.93Å; K319-Q322 PolarHBondContact O-N 3.06Å; Q322-A324 VanDerWaalsContact C-N 3.34Å; Q322-A324 PolarHBondContact O-N 3.37Å; Q322-A325 PolarHBondContact O-N 3.12Å; Q322-L326 WeakPolarHBondContact O-CB 3.46Å; Q322-L326 VanDerWaalsContact O-CG 3.26Å; Q322-L326 WeakPolarHBondContact O-CG 3.5Å; Q322-L326 PolarHBondContact O-N 3.4Å; Q322-L332 HydrophobicContact CG-CD2 3.85Å
323H94.9Very high94.2Very high3 Ų323.3 Ų23.31%0.01411%0.114CC..Hα-helixtrans-58.4-45.9175.6-58.8167000111.6Y250 K319 A320 L321 A327 S531 R532 P536Y250-H323 PolarHBondContact OH-CD2 3.08Å; Y250-H323 PolarHBondContact OH-NE2 2.79Å; K319-H323 PolarHBondContact O-CD2 3.05Å; K319-H323 PolarHBondContact O-N 3.31Å; A320-H323 PolarHBondContact O-N 2.59Å; L321-H323 PolarHBondContact O-N 3.3Å; H323-A327 WeakPolarHBondContact O-CB 3.46Å; H323-A327 PolarHBondContact O-N 3.26Å; H323-A327 VanDerWaalsContact O-N 3.11Å; H323-S531 PolarHBondContact ND1-OG 3.44Å; H323-R532 VanDerWaalsContact ND1-C 3.31Å; H323-R532 PolarHBondContact ND1-O 3.45Å; H323-P536 HydrophobicContact CB-CB 4.05Å
324A96.4Very high94.5Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-65-42.6178.200000112.3A320 L321 Q322 A327 V328 P536 F540 L541 I544A320-A324 PolarHBondContact O-N 3.42Å; A320-A324 VanDerWaalsContact O-N 3.12Å; L321-A324 PolarHBondContact O-N 3.47Å; Q322-A324 VanDerWaalsContact C-N 3.34Å; Q322-A324 PolarHBondContact O-N 3.37Å; A324-A327 WeakPolarHBondContact O-CB 3.26Å; A324-A327 PolarHBondContact O-N 2.66Å; A324-V328 PolarHBondContact O-N 3.23Å; A324-P536 HydrophobicContact CB-CB 4.34Å; A324-F540 HydrophobicContact CB-CB 4.06Å; A324-L541 HydrophobicContact CB-CB 4.48Å; A324-I544 HydrophobicContact CB-CB 4.46Å; A324-I544 HydrophobicContact CB-CG1 3.79Å
325A96.1Very high94.7Very high2 Ų225.7 Ų25.72%0.01713%0.128CC..Hα-helixtrans-65.2-42178.600000112.3L321 Q322 A327 V328 N329 R330 L332L321-A325 VanDerWaalsContact O-CB 3.31Å; L321-A325 WeakPolarHBondContact O-CB 3.33Å; L321-A325 PolarHBondContact O-N 3.23Å; Q322-A325 PolarHBondContact O-N 3.12Å; A325-A327 VanDerWaalsContact C-N 3.29Å; A325-A327 PolarHBondContact O-N 2.79Å; A325-V328 CarbonylContact O-C 3.57Å; A325-V328 VanDerWaalsContact O-CG2 3.26Å; A325-V328 WeakPolarHBondContact O-CG2 3.31Å; A325-V328 PolarHBondContact O-N 2.72Å; A325-N329 PolarHBondContact O-N 2.75Å; A325-N329 VanDerWaalsContact O-N 3.11Å; A325-R330 CarbonylContact C-O 3.54Å; A325-R330 WeakPolarHBondContact CB-O 3.4Å; A325-R330 PolarHBondContact O-N 3.14Å; A325-L332 HydrophobicContact CB-CB 3.87Å
326L92.7Very high94.9Very high18 Ų1827.5 Ų27.59%0.09413%0.134CC..Hα-helixtrans-64.6-33.6174.9-70.9173.4000112.3Y250 L288 T292 Q322 V328 N329Y250-L326 HydrophobicContact CD2-CD1 4.47Å; Y250-L326 HydrophobicContact CE2-CD1 3.74Å; L288-L326 HydrophobicContact CD1-CB 4.45Å; L288-L326 HydrophobicContact CD1-CD1 4Å; T292-L326 HydrophobicContact CG2-CD2 4.29Å; Q322-L326 WeakPolarHBondContact O-CB 3.46Å; Q322-L326 VanDerWaalsContact O-CG 3.26Å; Q322-L326 WeakPolarHBondContact O-CG 3.5Å; Q322-L326 PolarHBondContact O-N 3.4Å; L326-V328 VanDerWaalsContact C-N 3.28Å; L326-V328 PolarHBondContact O-N 2.95Å; L326-N329 PolarHBondContact O-N 3.25Å; L326-N329 PolarHBondContact O-OD1 3.17Å
327A92.3Very high94.9Very high12 Ų1227.5 Ų27.510%0.09913%0.134CC..Hα-helixtrans-66.9-29.7176.500000112.6H323 A324 A325 P536 L541 L561H323-A327 WeakPolarHBondContact O-CB 3.46Å; H323-A327 PolarHBondContact O-N 3.26Å; H323-A327 VanDerWaalsContact O-N 3.11Å; A324-A327 WeakPolarHBondContact O-CB 3.26Å; A324-A327 PolarHBondContact O-N 2.66Å; A325-A327 VanDerWaalsContact C-N 3.29Å; A325-A327 PolarHBondContact O-N 2.79Å; A327-P536 HydrophobicContact CB-CG 3.89Å; A327-L541 HydrophobicContact CB-CD1 4.19Å; A327-L561 HydrophobicContact CB-CD1 3.96Å; A327-L561 WeakPolarHBondContact O-CD1 3.48Å
328V92.7Very high94.9Very high5 Ų529.7 Ų29.73%0.0315%0.145CC..THydrogen-bonded Turntrans-100.47.8178.3-570000114A324 A325 L326 R330 L541 I544 L545A324-V328 PolarHBondContact O-N 3.23Å; A325-V328 CarbonylContact O-C 3.57Å; A325-V328 VanDerWaalsContact O-CG2 3.26Å; A325-V328 WeakPolarHBondContact O-CG2 3.31Å; A325-V328 PolarHBondContact O-N 2.72Å; L326-V328 VanDerWaalsContact C-N 3.28Å; L326-V328 PolarHBondContact O-N 2.95Å; V328-R330 HydrophobicContact CG2-CB 3.95Å; V328-R330 HydrophobicContact CG2-CG 3.72Å; V328-L541 HydrophobicContact CG1-CD1 3.72Å; V328-I544 HydrophobicContact CG2-CG2 3.4Å; V328-L545 HydrophobicContact CG1-CD2 3.56Å; V328-L545 HydrophobicContact CG1-CG 3.95Å
329N92.9Very high94.9Very high30 Ų3028.5 Ų28.516%0.1614%0.137CC..THydrogen-bonded Turntrans51.656.1-173.4-60.22.9000112.4V295 A325 L326 Q565V295-N329 WeakPolarHBondContact CG1-O 3.37Å; V295-N329 HydrophobicContact CG2-CB 3.94Å; A325-N329 PolarHBondContact O-N 2.75Å; A325-N329 VanDerWaalsContact O-N 3.11Å; L326-N329 PolarHBondContact O-N 3.25Å; L326-N329 PolarHBondContact O-OD1 3.17Å; N329-Q565 PolarHBondContact ND2-O 3.35Å
330R94.8Very high95Very high22 Ų2227.8 Ų27.88%0.08314%0.136CC..  trans-125.1140.7170.9-66.2-67.8-178.6-926.1111.4R297 V299 A325 V328 L332 V548R297-R330 CarbonylContact O-C 3.52Å; R297-R330 VanDerWaalsContact O-CA 3.3Å; R297-R330 WeakPolarHBondContact O-CA 3.23Å; R297-R330 VanDerWaalsContact O-CD 3.32Å; R297-R330 WeakPolarHBondContact O-CD 3.43Å; V299-R330 HydrophobicContact CB-CB 4.12Å; V299-R330 HydrophobicContact CB-CG 4.46Å; V299-R330 HydrophobicContact CG1-CB 3.6Å; V299-R330 HydrophobicContact CG1-CG 4.38Å; A325-R330 CarbonylContact C-O 3.54Å; A325-R330 WeakPolarHBondContact CB-O 3.4Å; A325-R330 PolarHBondContact O-N 3.14Å; V328-R330 HydrophobicContact CG2-CB 3.95Å; V328-R330 HydrophobicContact CG2-CG 3.72Å; R330-L332 PolarHBondContact O-N 2.62Å; R330-V548 HydrophobicContact CG-CG1 4.28Å
331K95.3Very high94.9Very high108 Ų10829 Ų2947%0.4714%0.143SC..EExtended strand (participates in β ladder)trans-83.2112.2174.8178.2179.9168.7-150.70105.9V295 R297 E298 V299 E333V295-K331 HydrophobicContact CG1-CB 4.1Å; R297-K331 PolarHBondContact O-N 3.06Å; E298-K331 CarbonylContact C-O 3.6Å; E298-K331 VanDerWaalsContact CA-O 3.29Å; E298-K331 WeakPolarHBondContact CA-O 3.44Å; E298-K331 HydrophobicContact CG-CB 4.12Å; E298-K331 HydrophobicContact CG-CD 4.02Å; E298-K331 HydrophobicContact CG-CG 4.3Å; E298-K331 IonicContact OE1-NZ 2.74Å; E298-K331 PolarHBondContact OE1-NZ 2.89Å; V299-K331 PolarHBondContact N-O 3.28Å; K331-E333 PolarHBondContact O-N 3.49Å
332L95.8Very high94.9Very high34 Ų3429 Ų2918%0.17814%0.143CC..EExtended strand (participates in β ladder)trans-71.2118.2-179.8-178.970.3000109.4V299 I301 L321 Q322 A325 R330 L334 I544V299-L332 HydrophobicContact CG1-CD1 4.26Å; I301-L332 HydrophobicContact CB-CD1 4.16Å; I301-L332 HydrophobicContact CG1-CD1 3.78Å; L321-L332 HydrophobicContact CB-CD1 4.33Å; L321-L332 HydrophobicContact CB-CD2 3.46Å; L321-L332 VanDerWaalsContact CB-CD2 3.46Å; Q322-L332 HydrophobicContact CG-CD2 3.85Å; A325-L332 HydrophobicContact CB-CB 3.87Å; R330-L332 PolarHBondContact O-N 2.62Å; L332-L334 HydrophobicContact CD2-CD1 4.45Å; L332-I544 HydrophobicContact CD1-CD1 4.22Å
333E96.2Very high95Very high89 Ų8927.1 Ų27.142%0.41613%0.134SC..EExtended strand (participates in β ladder)trans-99.6117.5163.7-176-175.9-170.800107.5V299 C300 I301 K331V299-E333 PolarHBondContact O-N 3.24Å; C300-E333 WeakPolarHBondContact CA-O 3.47Å; C300-E333 HydrophobicContact CB-CB 4.35Å; I301-E333 PolarHBondContact N-O 2.91Å; K331-E333 PolarHBondContact O-N 3.49Å
334L95Very high95Very high40 Ų4031.7 Ų31.721%0.20916%0.155CC..EExtended strand (participates in β ladder)trans-106.8121.5-177.5-160.771.7000109.8I301 V303 V318 L321 L332 F336I301-L334 HydrophobicContact CB-CD1 4.28Å; I301-L334 HydrophobicContact CG2-CD1 4.42Å; V303-L334 HydrophobicContact CG2-CD1 3.49Å; V303-L334 VanDerWaalsContact CG2-CD1 3.49Å; V303-L334 HydrophobicContact CG2-CD2 4.28Å; V303-L334 HydrophobicContact CG2-CG 4.02Å; V318-L334 HydrophobicContact CB-CD2 4.45Å; V318-L334 HydrophobicContact CG1-CD2 4.39Å; V318-L334 HydrophobicContact CG2-CD2 3.65Å; L321-L334 HydrophobicContact CD1-CD1 3.54Å; L332-L334 HydrophobicContact CD2-CD1 4.45Å; L334-F336 HydrophobicContact CD2-CD2 4.4Å; L334-F336 HydrophobicContact CD2-CE1 4.07Å; L334-F336 HydrophobicContact CD2-CE2 3.55Å; L334-F336 HydrophobicContact CD2-CZ 3.36Å; L334-F336 HydrophobicContact CG-CE2 4.2Å; L334-F336 HydrophobicContact CG-CZ 4.32Å
335V94.9Very high94.9Very high25 Ų2538.8 Ų38.815%0.15219%0.188CC..EExtended strand (participates in β ladder)trans-109.1116.6173.1-62.40000109.4I301 A302 V303 K360I301-V335 PolarHBondContact O-N 2.63Å; A302-V335 WeakPolarHBondContact CA-O 3.43Å; A302-V335 HydrophobicContact CB-CG2 3.78Å; V303-V335 PolarHBondContact N-O 3.42Å; V335-K360 HydrophobicContact CG2-CB 4.36Å
336F95.4Very high94.9Very high46 Ų4639.3 Ų39.320%0.20219%0.192CC..EExtended strand (participates in β ladder)trans-83.9129.5173.9-70.6-82.7000109.8V303 T308 T311 Y314 V318 L334V303-F336 HydrophobicContact CB-CD1 4.08Å; V303-F336 HydrophobicContact CB-CE1 4.3Å; V303-F336 HydrophobicContact CG1-CD1 4.23Å; V303-F336 HydrophobicContact CG1-CE1 4.27Å; T308-F336 HydrophobicContact CG2-CB 4.07Å; T311-F336 HydrophobicContact CG2-CE2 4.1Å; Y314-F336 HydrophobicContact CD2-CD1 4.32Å; Y314-F336 AromaticContact CD2-CE1 3.91Å; Y314-F336 HydrophobicContact CD2-CE1 3.91Å; Y314-F336 HydrophobicContact CG-CE1 4.39Å; V318-F336 HydrophobicContact CG2-CZ 3.79Å; L334-F336 HydrophobicContact CD2-CD2 4.4Å; L334-F336 HydrophobicContact CD2-CE1 4.07Å; L334-F336 HydrophobicContact CD2-CE2 3.55Å; L334-F336 HydrophobicContact CD2-CZ 3.36Å; L334-F336 HydrophobicContact CG-CE2 4.2Å; L334-F336 HydrophobicContact CG-CZ 4.32Å
337I95.6Very high95.1Very high0 Ų041.4 Ų41.40%020%0.203CC..EExtended strand (participates in β ladder)trans-119.9121.9179.8-62.2179.1000108.2A302 V303 V304 G305 T308 S339 L342 E357 K360 L361A302-I337 HydrophobicContact CB-CD1 3.78Å; V303-I337 PolarHBondContact O-N 3.45Å; V304-I337 CarbonylContact C-O 3.53Å; V304-I337 WeakPolarHBondContact CA-O 3.4Å; V304-I337 HydrophobicContact CG2-CB 4.35Å; G305-I337 PolarHBondContact N-O 3.17Å; T308-I337 WeakPolarHBondContact CG2-O 3.43Å; I337-S339 PolarHBondContact O-N 3.31Å; I337-L342 HydrophobicContact CG2-CD1 3.8Å; I337-L342 HydrophobicContact CG2-CD2 3.98Å; I337-L342 HydrophobicContact CG2-CG 3.97Å; I337-E357 WeakPolarHBondContact CA-OE2 3.12Å; I337-E357 HydrophobicContact CG2-CB 4Å; I337-E357 HydrophobicContact CG2-CG 4.42Å; I337-K360 HydrophobicContact CD1-CB 4.23Å; I337-L361 HydrophobicContact CD1-CB 3.68Å; I337-L361 HydrophobicContact CD1-CD1 3.73Å; I337-L361 HydrophobicContact CD1-CG 4.31Å
338E94.7Very high95.3Very high50 Ų5048.2 Ų48.223%0.23423%0.232CC..EExtended strand (participates in β ladder)trans-76.7117.9177.5-174.6170.4-177.500109.7T308 C340 L341T308-E338 HydrophobicContact CG2-CB 4.28Å; E338-C340 VanDerWaalsContact C-N 3.27Å; E338-C340 HydrophobicContact CG-CB 4.33Å; E338-C340 PolarHBondContact O-N 3.05Å; E338-L341 HydrophobicContact CB-CB 4.49Å; E338-L341 HydrophobicContact CB-CD1 3.95Å; E338-L341 HydrophobicContact CB-CG 4.05Å; E338-L341 HydrophobicContact CG-CG 4.27Å; E338-L341 WeakPolarHBondContact O-CB 3.43Å; E338-L341 PolarHBondContact O-N 2.85Å
339S95.4Very high95.5Very high0 Ų051.7 Ų51.70%026%0.257CS..G310 helixtrans-62.9-31.8-173.2600000113.4G305 I337 L341 L342 G377 G380G305-S339 PolarHBondContact O-N 2.9Å; G305-S339 PolarHBondContact O-OG 3.22Å; I337-S339 PolarHBondContact O-N 3.31Å; S339-L341 PolarHBondContact O-N 3.14Å; S339-L342 PolarHBondContact O-N 2.76Å; S339-L342 VanDerWaalsContact O-N 3.16Å; S339-G377 VanDerWaalsContact CB-O 3.27Å; S339-G377 WeakPolarHBondContact CB-O 3.32Å; S339-G377 VanDerWaalsContact OG-CA 3.27Å; S339-G377 WeakPolarHBondContact OG-CA 3.46Å; S339-G377 PolarHBondContact OG-O 3.28Å; S339-G380 WeakPolarHBondContact O-CA 3.31Å
340C94.6Very high95.6Very high20 Ų2054.2 Ų54.214%0.13527%0.267CS..G310 helixtrans-61.4-33.4175.1-48.60000112.1E338 L342 E343 T346 R376E338-C340 VanDerWaalsContact C-N 3.27Å; E338-C340 HydrophobicContact CG-CB 4.33Å; E338-C340 PolarHBondContact O-N 3.05Å; C340-L342 PolarHBondContact O-N 2.7Å; C340-E343 WeakPolarHBondContact O-CB 3.45Å; C340-E343 PolarHBondContact O-N 3.37Å; C340-T346 PolarHBondContact O-OG1 2.96Å; C340-R376 WeakPolarHBondContact SG-CG 3.3Å
341L95.8Very high95.7Very high26 Ų2656 Ų5614%0.13628%0.282CS..G310 helixtrans-75.2-7.1-179.3-61.9179.1000113E338 S339 T346 K353 Y354 E357E338-L341 HydrophobicContact CB-CB 4.49Å; E338-L341 HydrophobicContact CB-CD1 3.95Å; E338-L341 HydrophobicContact CB-CG 4.05Å; E338-L341 HydrophobicContact CG-CG 4.27Å; E338-L341 WeakPolarHBondContact O-CB 3.43Å; E338-L341 PolarHBondContact O-N 2.85Å; S339-L341 PolarHBondContact O-N 3.14Å; L341-T346 HydrophobicContact CB-CG2 4.24Å; L341-T346 HydrophobicContact CD2-CG2 3.63Å; L341-K353 HydrophobicContact CD1-CB 4.33Å; L341-K353 HydrophobicContact CD2-CB 4.26Å; L341-K353 HydrophobicContact CD2-CD 4.19Å; L341-Y354 WeakPolarHBondContact O-CA 3.18Å; L341-Y354 WeakPolarHBondContact O-CD2 3.39Å; L341-E357 HydrophobicContact CB-CG 4.02Å; L341-E357 HydrophobicContact CD1-CG 4.02Å
342L96.7Very high95.8Very high0 Ų055.2 Ų55.20%029%0.29CS..G310 helixtrans-94.5-0.8173.6-56.9-178.6000112.9V304 I337 S339 C340 Y354 E357 W358 A384V304-L342 HydrophobicContact CG1-CD1 3.85Å; I337-L342 HydrophobicContact CG2-CD1 3.8Å; I337-L342 HydrophobicContact CG2-CD2 3.98Å; I337-L342 HydrophobicContact CG2-CG 3.97Å; S339-L342 PolarHBondContact O-N 2.76Å; S339-L342 VanDerWaalsContact O-N 3.16Å; C340-L342 PolarHBondContact O-N 2.7Å; L342-Y354 WeakPolarHBondContact O-CE2 3.32Å; L342-E357 HydrophobicContact CD2-CB 3.78Å; L342-W358 HydrophobicContact CB-CZ2 4.49Å; L342-W358 HydrophobicContact CD2-CD2 4.2Å; L342-W358 HydrophobicContact CD2-CG 4.13Å; L342-A384 HydrophobicContact CD1-CB 4.31Å
343E96.2Very high95.7Very high39 Ų3957.7 Ų57.718%0.18230%0.299CS..SBendtrans-85.1156.3179.9-61.2-178.5176.100111.9C340 E345 T346 L347 Y354 G377 E379C340-E343 WeakPolarHBondContact O-CB 3.45Å; C340-E343 PolarHBondContact O-N 3.37Å; E343-E345 VanDerWaalsContact C-N 3.25Å; E343-E345 PolarHBondContact O-N 2.65Å; E343-T346 PolarHBondContact O-N 3.02Å; E343-T346 VanDerWaalsContact O-N 3.11Å; E343-L347 PolarHBondContact O-N 3.37Å; E343-Y354 WeakPolarHBondContact O-CE2 3.35Å; E343-G377 VanDerWaalsContact OE1-C 3.27Å; E343-G377 WeakPolarHBondContact OE1-CA 3.39Å; E343-G377 PolarHBondContact OE1-N 3.35Å; E343-E379 HydrophobicContact CG-CB 4.22Å
344E95Very high95.8Very high100 Ų10054.7 Ų54.747%0.46728%0.284SS..Hα-helixtrans-62.3-32.1-178.6-70.8179174.100112.8T346 L347 H348 R383E344-T346 PolarHBondContact O-N 2.93Å; E344-L347 WeakPolarHBondContact O-CB 3.35Å; E344-L347 PolarHBondContact O-N 3.46Å; E344-H348 PolarHBondContact O-CD2 2.92Å; E344-H348 PolarHBondContact O-N 3.44Å; E344-H348 VanDerWaalsContact O-N 3.16Å; E344-R383 IonicContact OE1-CZ 3.06Å; E344-R383 IonicContact OE1-NH1 2.78Å; E344-R383 PolarHBondContact OE1-NH1 3.15Å; E344-R383 IonicContact OE1-NH2 2.75Å; E344-R383 PolarHBondContact OE1-NH2 3.38Å; E344-R383 IonicContact OE2-NH2 2.93Å
345E95.2Very high95.9Very high148 Ų14858.1 Ų58.169%0.69230%0.299SS*.Hα-helixtrans-56.7-38.6174.8-172.6179.7175.700111.8E343 H348 S349E343-E345 VanDerWaalsContact C-N 3.25Å; E343-E345 PolarHBondContact O-N 2.65Å; E345-H348 PolarHBondContact O-N 3.29Å; E345-S349 WeakPolarHBondContact O-CB 3.08Å; E345-S349 PolarHBondContact O-N 2.78Å; E345-S349 PolarHBondContact O-OG 2.87Å
346T95.7Very high96Very high14 Ų1462.8 Ų62.89%0.08632%0.317CS..Hα-helixtrans-71.2-33.9177-56.40000111.7C340 L341 E343 E344 H348 S349 E350C340-T346 PolarHBondContact O-OG1 2.96Å; L341-T346 HydrophobicContact CB-CG2 4.24Å; L341-T346 HydrophobicContact CD2-CG2 3.63Å; E343-T346 PolarHBondContact O-N 3.02Å; E343-T346 VanDerWaalsContact O-N 3.11Å; E344-T346 PolarHBondContact O-N 2.93Å; T346-H348 PolarHBondContact O-N 3.27Å; T346-S349 WeakPolarHBondContact CA-OG 3.4Å; T346-S349 PolarHBondContact O-N 3.23Å; T346-E350 HydrophobicContact CG2-CB 4.38Å; T346-E350 CarbonylContact O-C 3.59Å; T346-E350 WeakPolarHBondContact O-CA 3.27Å; T346-E350 PolarHBondContact O-N 3.38Å
347L96.5Very high96.1Very high62 Ų6261.5 Ų61.533%0.32531%0.312SS..Hα-helixtrans-61-36.4174.1179.362.1000111.5E343 E344 P351 Y354E343-L347 PolarHBondContact O-N 3.37Å; E344-L347 WeakPolarHBondContact O-CB 3.35Å; E344-L347 PolarHBondContact O-N 3.46Å; L347-P351 HydrophobicContact CD1-CB 4.44Å; L347-Y354 HydrophobicContact CB-CD1 4.34Å; L347-Y354 HydrophobicContact CB-CD2 3.94Å; L347-Y354 HydrophobicContact CB-CE1 4.43Å; L347-Y354 HydrophobicContact CB-CE2 4.03Å; L347-Y354 HydrophobicContact CB-CG 4.11Å; L347-Y354 HydrophobicContact CD1-CD1 3.74Å; L347-Y354 HydrophobicContact CD1-CE1 3.96Å; L347-Y354 HydrophobicContact CD1-CG 4.21Å
348H96.4Very high96.2Very high155 Ų15563.3 Ų63.372%0.71832%0.318SS*.Hα-helixtrans-80.5-35178.8-63.6-53.9000113.8E344 E345 T346E344-H348 PolarHBondContact O-CD2 2.92Å; E344-H348 PolarHBondContact O-N 3.44Å; E344-H348 VanDerWaalsContact O-N 3.16Å; E345-H348 PolarHBondContact O-N 3.29Å; T346-H348 PolarHBondContact O-N 3.27Å
349S96.5Very high96.3Very high78 Ų7866.8 Ų66.855%0.54534%0.335SS..Hα-helixtrans-91-47.8-176.354.20000113.4E345 T346E345-S349 WeakPolarHBondContact O-CB 3.08Å; E345-S349 PolarHBondContact O-N 2.78Å; E345-S349 PolarHBondContact O-OG 2.87Å; T346-S349 WeakPolarHBondContact CA-OG 3.4Å; T346-S349 PolarHBondContact O-N 3.23Å
350E96.1Very high96.4Very high83 Ų8369.7 Ų69.739%0.38835%0.348SS..  trans-138.966.4-173.2-62.7-162.5-106.200112.3T346 S352 K353 Y354T346-E350 HydrophobicContact CG2-CB 4.38Å; T346-E350 CarbonylContact O-C 3.59Å; T346-E350 WeakPolarHBondContact O-CA 3.27Å; T346-E350 PolarHBondContact O-N 3.38Å; E350-S352 PolarHBondContact O-N 3.45Å; E350-K353 HydrophobicContact CB-CD 4.3Å; E350-K353 PolarHBondContact O-N 3.33Å; E350-K353 VanDerWaalsContact O-N 3.08Å; E350-K353 IonicContact OE1-NZ 3.21Å; E350-K353 PolarHBondContact OE1-NZ 3.42Å; E350-K353 WeakPolarHBondContact OE2-CD 3.1Å; E350-K353 WeakPolarHBondContact OE2-CE 3.48Å; E350-K353 IonicContact OE2-NZ 2.78Å; E350-K353 PolarHBondContact OE2-NZ 2.93Å; E350-Y354 PolarHBondContact O-N 3.34Å
351P96.3Very high96.5Very high60 Ų6068.8 Ų68.839%0.3934%0.341SS..Hα-helixtrans-59.1-27.7-172.821.2-33.6000114.1L347 K353 Y354 H355L347-P351 HydrophobicContact CD1-CB 4.44Å; P351-K353 PolarHBondContact O-N 2.93Å; P351-Y354 WeakPolarHBondContact O-CB 3.35Å; P351-Y354 PolarHBondContact O-N 2.84Å; P351-H355 PolarHBondContact O-CD2 3.15Å; P351-H355 PolarHBondContact O-N 3.37Å
352S96.8Very high96.6Very high90 Ų9069.7 Ų69.763%0.62935%0.349SS*.Hα-helixtrans-62.5-41.5177.659.60000112.5E350 K356E350-S352 PolarHBondContact O-N 3.45Å; S352-K356 WeakPolarHBondContact O-CB 3.12Å; S352-K356 PolarHBondContact O-N 3.46Å
353K95.5Very high96.6Very high87 Ų8774.7 Ų74.738%0.37838%0.376SS..Hα-helixtrans-70.1-43.5175.7-70.1-179.9-178.5163.50110.6L341 E350 P351 H355 K356 E357L341-K353 HydrophobicContact CD1-CB 4.33Å; L341-K353 HydrophobicContact CD2-CB 4.26Å; L341-K353 HydrophobicContact CD2-CD 4.19Å; E350-K353 HydrophobicContact CB-CD 4.3Å; E350-K353 PolarHBondContact O-N 3.33Å; E350-K353 VanDerWaalsContact O-N 3.08Å; E350-K353 IonicContact OE1-NZ 3.21Å; E350-K353 PolarHBondContact OE1-NZ 3.42Å; E350-K353 WeakPolarHBondContact OE2-CD 3.1Å; E350-K353 WeakPolarHBondContact OE2-CE 3.48Å; E350-K353 IonicContact OE2-NZ 2.78Å; E350-K353 PolarHBondContact OE2-NZ 2.93Å; P351-K353 PolarHBondContact O-N 2.93Å; K353-H355 PolarHBondContact O-N 3.17Å; K353-K356 PolarHBondContact O-N 3.02Å; K353-E357 WeakPolarHBondContact O-CG 3.3Å; K353-E357 PolarHBondContact O-N 3.46Å; K353-E357 VanDerWaalsContact O-N 3.09Å
354Y97.7Very high96.7Very high26 Ų2672.9 Ų72.910%0.10237%0.367CS..Hα-helixtrans-53.1-56.9176.9-177.5-88.9000111.7L341 L342 E343 L347 E350 P351 K356 E357 W358L341-Y354 WeakPolarHBondContact O-CA 3.18Å; L341-Y354 WeakPolarHBondContact O-CD2 3.39Å; L342-Y354 WeakPolarHBondContact O-CE2 3.32Å; E343-Y354 WeakPolarHBondContact O-CE2 3.35Å; L347-Y354 HydrophobicContact CB-CD1 4.34Å; L347-Y354 HydrophobicContact CB-CD2 3.94Å; L347-Y354 HydrophobicContact CB-CE1 4.43Å; L347-Y354 HydrophobicContact CB-CE2 4.03Å; L347-Y354 HydrophobicContact CB-CG 4.11Å; L347-Y354 HydrophobicContact CD1-CD1 3.74Å; L347-Y354 HydrophobicContact CD1-CE1 3.96Å; L347-Y354 HydrophobicContact CD1-CG 4.21Å; E350-Y354 PolarHBondContact O-N 3.34Å; P351-Y354 WeakPolarHBondContact O-CB 3.35Å; P351-Y354 PolarHBondContact O-N 2.84Å; Y354-K356 VanDerWaalsContact C-N 3.33Å; Y354-K356 PolarHBondContact O-N 2.74Å; Y354-E357 PolarHBondContact O-N 2.73Å; Y354-W358 AromaticContact CD1-CD1 3.68Å; Y354-W358 AromaticContact CE1-CD1 3.37Å; Y354-W358 HydrophobicContact CE1-CG 4.44Å; Y354-W358 AromaticContact CE1-NE1 3.45Å; Y354-W358 AromaticContact CE2-NE1 3.5Å; Y354-W358 AromaticContact CZ-CD1 3.57Å; Y354-W358 AromaticContact CZ-NE1 3.11Å; Y354-W358 VanDerWaalsContact O-CD1 3.27Å; Y354-W358 PolarHBondContact O-N 2.6Å; Y354-W358 PolarHBondContact OH-NE1 3.48Å
355H97.3Very high96.8Very high111 Ų11172.1 Ų72.151%0.51436%0.364SS..Hα-helixtrans-65.6-34.5-177.7-66.9-56.9000113.1P351 K353 W358 Q359P351-H355 PolarHBondContact O-CD2 3.15Å; P351-H355 PolarHBondContact O-N 3.37Å; K353-H355 PolarHBondContact O-N 3.17Å; H355-W358 PolarHBondContact O-N 3.46Å; H355-Q359 WeakPolarHBondContact O-CB 3.31Å; H355-Q359 PolarHBondContact O-N 3.23Å
356K96.9Very high97Very high123 Ų12365.1 Ų65.154%0.53533%0.331SS..Hα-helixtrans-63.5-41.9177-178.2178.8-179.5179.30112.3S352 K353 Y354 Q359 K360S352-K356 WeakPolarHBondContact O-CB 3.12Å; S352-K356 PolarHBondContact O-N 3.46Å; K353-K356 PolarHBondContact O-N 3.02Å; Y354-K356 VanDerWaalsContact C-N 3.33Å; Y354-K356 PolarHBondContact O-N 2.74Å; K356-Q359 PolarHBondContact O-N 2.89Å; K356-K360 WeakPolarHBondContact O-CG 3.36Å; K356-K360 PolarHBondContact O-N 3.46Å
357E96.7Very high97.1Very high19 Ų1964.5 Ų64.59%0.08933%0.327CS..Hα-helixtrans-68.9-40.6178-68.5-48.2135.900111.8I337 L341 L342 K353 Y354 Q359 K360 L361I337-E357 WeakPolarHBondContact CA-OE2 3.12Å; I337-E357 HydrophobicContact CG2-CB 4Å; I337-E357 HydrophobicContact CG2-CG 4.42Å; L341-E357 HydrophobicContact CB-CG 4.02Å; L341-E357 HydrophobicContact CD1-CG 4.02Å; L342-E357 HydrophobicContact CD2-CB 3.78Å; K353-E357 WeakPolarHBondContact O-CG 3.3Å; K353-E357 PolarHBondContact O-N 3.46Å; K353-E357 VanDerWaalsContact O-N 3.09Å; Y354-E357 PolarHBondContact O-N 2.73Å; E357-Q359 PolarHBondContact O-N 2.96Å; E357-K360 PolarHBondContact O-N 3.24Å; E357-K360 IonicContact OE1-NZ 3.09Å; E357-K360 PolarHBondContact OE1-NZ 3.19Å; E357-K360 IonicContact OE2-NZ 3.34Å; E357-K360 PolarHBondContact OE2-NZ 3.43Å; E357-L361 PolarHBondContact O-N 3.2Å; E357-L361 VanDerWaalsContact O-N 3.12Å
358W97.8Very high97.2Very high38 Ų3861.5 Ų61.514%0.14431%0.312CS..Hα-helixtrans-62.3-39.7173.2-82.6102.8000113.1L342 Y354 H355 K360 L361 C362 R383 W387L342-W358 HydrophobicContact CB-CZ2 4.49Å; L342-W358 HydrophobicContact CD2-CD2 4.2Å; L342-W358 HydrophobicContact CD2-CG 4.13Å; Y354-W358 AromaticContact CD1-CD1 3.68Å; Y354-W358 AromaticContact CE1-CD1 3.37Å; Y354-W358 HydrophobicContact CE1-CG 4.44Å; Y354-W358 AromaticContact CE1-NE1 3.45Å; Y354-W358 AromaticContact CE2-NE1 3.5Å; Y354-W358 AromaticContact CZ-CD1 3.57Å; Y354-W358 AromaticContact CZ-NE1 3.11Å; Y354-W358 VanDerWaalsContact O-CD1 3.27Å; Y354-W358 PolarHBondContact O-N 2.6Å; Y354-W358 PolarHBondContact OH-NE1 3.48Å; H355-W358 PolarHBondContact O-N 3.46Å; W358-K360 PolarHBondContact O-N 3.27Å; W358-L361 HydrophobicContact CE3-CD2 3.83Å; W358-L361 HydrophobicContact CH2-CD2 4.41Å; W358-L361 HydrophobicContact CZ3-CD2 3.67Å; W358-L361 WeakPolarHBondContact O-CB 3.24Å; W358-L361 PolarHBondContact O-N 3.13Å; W358-C362 PolarHBondContact O-N 2.78Å; W358-C362 PolarHBondContact O-SG 2.95Å; W358-R383 HydrophobicContact CH2-CB 4.08Å; W358-R383 HydrophobicContact CZ2-CB 4.07Å; W358-W387 HydrophobicContact CH2-CB 4.37Å; W358-W387 HydrophobicContact CZ3-CB 3.94Å; W358-W387 HydrophobicContact CZ3-CD2 4.05Å; W358-W387 HydrophobicContact CZ3-CE3 4.35Å; W358-W387 AromaticContact CZ3-CG 3.87Å; W358-W387 HydrophobicContact CZ3-CG 3.87Å
359Q97.7Very high97.3Very high123 Ų12354.1 Ų54.158%0.57528%0.278SS*.Hα-helixtrans-57.2-49.8176.9-175.1179.55.500111.3H355 K356 E357 L361 C362 D363H355-Q359 WeakPolarHBondContact O-CB 3.31Å; H355-Q359 PolarHBondContact O-N 3.23Å; K356-Q359 PolarHBondContact O-N 2.89Å; E357-Q359 PolarHBondContact O-N 2.96Å; Q359-L361 VanDerWaalsContact C-N 3.3Å; Q359-L361 PolarHBondContact O-N 3.4Å; Q359-C362 PolarHBondContact O-N 2.68Å; Q359-D363 VanDerWaalsContact O-CG 3.3Å; Q359-D363 PolarHBondContact O-N 3.37Å
360K96.9Very high97.2Very high62 Ų6250.5 Ų50.527%0.2725%0.252SS..Hα-helixtrans-59.4-40.5176.3-63170.4-173166.20112.3V335 I337 K356 E357 W358 S364V335-K360 HydrophobicContact CG2-CB 4.36Å; I337-K360 HydrophobicContact CD1-CB 4.23Å; K356-K360 WeakPolarHBondContact O-CG 3.36Å; K356-K360 PolarHBondContact O-N 3.46Å; E357-K360 PolarHBondContact O-N 3.24Å; E357-K360 IonicContact OE1-NZ 3.09Å; E357-K360 PolarHBondContact OE1-NZ 3.19Å; E357-K360 IonicContact OE2-NZ 3.34Å; E357-K360 PolarHBondContact OE2-NZ 3.43Å; W358-K360 PolarHBondContact O-N 3.27Å; K360-S364 PolarHBondContact O-N 3.12Å
361L97.8Very high96.8Very high1 Ų147.2 Ų47.21%0.00524%0.24CC..Hα-helixtrans-62.9-45178.5-169.271.8000111A302 V304 I337 E357 W358 Q359 S364 I367 A384A302-L361 HydrophobicContact CB-CD1 3.84Å; V304-L361 HydrophobicContact CG2-CD1 3.79Å; I337-L361 HydrophobicContact CD1-CB 3.68Å; I337-L361 HydrophobicContact CD1-CD1 3.73Å; I337-L361 HydrophobicContact CD1-CG 4.31Å; E357-L361 PolarHBondContact O-N 3.2Å; E357-L361 VanDerWaalsContact O-N 3.12Å; W358-L361 HydrophobicContact CE3-CD2 3.83Å; W358-L361 HydrophobicContact CH2-CD2 4.41Å; W358-L361 HydrophobicContact CZ3-CD2 3.67Å; W358-L361 WeakPolarHBondContact O-CB 3.24Å; W358-L361 PolarHBondContact O-N 3.13Å; Q359-L361 VanDerWaalsContact C-N 3.3Å; Q359-L361 PolarHBondContact O-N 3.4Å; L361-S364 PolarHBondContact O-N 2.72Å; L361-S364 PolarHBondContact O-OG 3.21Å; L361-I367 HydrophobicContact CD1-CD1 3.8Å; L361-I367 HydrophobicContact CD1-CG1 3.8Å; L361-I367 HydrophobicContact CD1-CG2 4.27Å; L361-I367 HydrophobicContact CG-CD1 4.12Å; L361-A384 HydrophobicContact CD2-CB 4.19Å
362C97.5Very high96.3Very high44 Ų4444.8 Ų44.830%0.29723%0.226SC..Hα-helixtrans-64.2-41.5-179.7-67.70000112.7W358 Q359 S364 W387 K393W358-C362 PolarHBondContact O-N 2.78Å; W358-C362 PolarHBondContact O-SG 2.95Å; Q359-C362 PolarHBondContact O-N 2.68Å; C362-S364 VanDerWaalsContact C-N 3.26Å; C362-S364 PolarHBondContact O-N 3.04Å; C362-W387 WeakPolarHBondContact SG-CZ2 3.4Å; C362-K393 PolarHBondContact O-NZ 3.45Å
363D96.8Very high95.7Very high105 Ų10544.1 Ų44.156%0.56121%0.212SC*.Hα-helixtrans-72.4-19.8-179.4-65.5-20.7000112.5Q359Q359-D363 VanDerWaalsContact O-CG 3.3Å; Q359-D363 PolarHBondContact O-N 3.37Å
364S97.7Very high95.3Very high1 Ų141.4 Ų41.41%0.00721%0.209CC..  trans-69.3150.2179.3750000113.2A302 K360 L361 C362 K393A302-S364 WeakPolarHBondContact CB-OG 3.24Å; K360-S364 PolarHBondContact O-N 3.12Å; L361-S364 PolarHBondContact O-N 2.72Å; L361-S364 PolarHBondContact O-OG 3.21Å; C362-S364 VanDerWaalsContact C-N 3.26Å; C362-S364 PolarHBondContact O-N 3.04Å; S364-K393 PolarHBondContact O-NZ 3.4Å
365H97.7Very high94.8Very high85 Ų8543.9 Ų43.939%0.39423%0.23SC..SBendtrans-89.9-12.9179.2-55.389.6000112.8V299 C300 P394 S547V299-H365 HydrophobicContact CG2-CB 4.44Å; C300-H365 PolarHBondContact N-ND1 2.93Å; C300-H365 PolarHBondContact O-N 2.69Å; C300-H365 PolarHBondContact O-ND1 2.97Å; H365-P394 WeakPolarHBondContact O-CD 3.37Å; H365-S547 VanDerWaalsContact C-OG 3.31Å; H365-S547 WeakPolarHBondContact CB-O 3.39Å; H365-S547 WeakPolarHBondContact O-CB 3.28Å; H365-S547 PolarHBondContact O-OG 3.32Å
366G98.1Very high94.5Very high0 Ų043.9 Ų43.90%023%0.226CC..EExtended strand (participates in β ladder)trans-163.8150.8-179.300000111I301 A302 P394 S547I301-G366 WeakPolarHBondContact CA-O 3.28Å; A302-G366 PolarHBondContact N-O 3.26Å; G366-P394 CarbonylContact C-O 3.59Å; G366-P394 WeakPolarHBondContact CA-O 3.49Å; G366-S547 WeakPolarHBondContact CA-OG 3.17Å
367I98.5Very high94.2Very high1 Ų138.1 Ų38.11%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-119131.4-174.9-62.3167.6000108.6A302 V304 L361 V369 A388 K393 P394 L395 L396A302-I367 WeakPolarHBondContact O-CA 3.43Å; V304-I367 HydrophobicContact CG2-CG2 4.14Å; L361-I367 HydrophobicContact CD1-CD1 3.8Å; L361-I367 HydrophobicContact CD1-CG1 3.8Å; L361-I367 HydrophobicContact CD1-CG2 4.27Å; L361-I367 HydrophobicContact CG-CD1 4.12Å; I367-V369 HydrophobicContact CG2-CG2 4.23Å; I367-A388 HydrophobicContact CD1-CB 3.73Å; I367-K393 HydrophobicContact CD1-CB 4.37Å; I367-P394 PolarHBondContact N-O 2.93Å; I367-L395 HydrophobicContact CG2-CD1 4.29Å; I367-L395 VanDerWaalsContact O-CA 3.3Å; I367-L395 WeakPolarHBondContact O-CA 3.28Å; I367-L396 PolarHBondContact O-N 2.98Å
368L98.4Very high94.1Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-119.4125.4172.6-173.4149.7000109.5I301 A302 V303 V304 V317 L321 P370 L396 I398 F540 L543I301-L368 HydrophobicContact CG2-CB 4.49Å; A302-L368 PolarHBondContact O-N 3.4Å; V303-L368 WeakPolarHBondContact CA-O 3.43Å; V303-L368 HydrophobicContact CG1-CD2 4.11Å; V303-L368 HydrophobicContact CG2-CB 4.37Å; V303-L368 HydrophobicContact CG2-CD2 4.45Å; V304-L368 PolarHBondContact N-O 3.3Å; V317-L368 HydrophobicContact CG1-CD1 3.91Å; V317-L368 HydrophobicContact CG1-CD2 3.65Å; V317-L368 HydrophobicContact CG1-CG 4.48Å; L321-L368 HydrophobicContact CD1-CD1 4.28Å; L321-L368 HydrophobicContact CD2-CD1 4.17Å; L321-L368 HydrophobicContact CG-CD1 4.39Å; L368-P370 HydrophobicContact CD2-CB 3.92Å; L368-P370 HydrophobicContact CD2-CG 4.29Å; L368-L396 WeakPolarHBondContact CA-O 3.31Å; L368-L396 HydrophobicContact CD1-CD2 4.15Å; L368-I398 HydrophobicContact CD1-CD1 4.27Å; L368-I398 HydrophobicContact CD2-CD1 4.34Å; L368-I398 HydrophobicContact CG-CD1 4.48Å; L368-F540 HydrophobicContact CD1-CD1 4.07Å; L368-F540 HydrophobicContact CD1-CE1 3.39Å; L368-F540 HydrophobicContact CD1-CZ 4.11Å; L368-L543 HydrophobicContact CB-CD2 4.3Å; L368-L543 HydrophobicContact CD1-CD2 4.25Å
369V97.8Very high94Very high0 Ų039 Ų390%021%0.207CC..EExtended strand (participates in β ladder)trans-110.4102174.8-174.30000108V304 I367 K381 L396 I398V304-V369 HydrophobicContact CB-CG2 4.47Å; I367-V369 HydrophobicContact CG2-CG2 4.23Å; V369-K381 HydrophobicContact CG1-CB 4.13Å; V369-K381 HydrophobicContact CG1-CD 3.76Å; V369-K381 HydrophobicContact CG1-CG 3.92Å; V369-L396 PolarHBondContact N-O 3.36Å; V369-I398 PolarHBondContact O-N 3.05Å
370P95Very high93.9Very high2 Ų233.1 Ų33.11%0.01318%0.179CC..  trans-78.6173.5-176.534.1-33.8000111.7V303 V304 Y314 L368 K381 I398V303-P370 HydrophobicContact CG1-CG 4.01Å; V304-P370 VanDerWaalsContact O-CD 3.29Å; V304-P370 WeakPolarHBondContact O-CD 3.47Å; Y314-P370 HydrophobicContact CD1-CB 3.96Å; Y314-P370 HydrophobicContact CD1-CG 3.92Å; Y314-P370 HydrophobicContact CE1-CB 3.64Å; Y314-P370 HydrophobicContact CE1-CG 3.32Å; L368-P370 HydrophobicContact CD2-CB 3.92Å; L368-P370 HydrophobicContact CD2-CG 4.29Å; P370-K381 PolarHBondContact O-NZ 3.4Å; P370-I398 CarbonylContact C-O 3.54Å
371G87.7Confident93.9Very high13 Ų1330.3 Ų30.313%0.13417%0.167CC..  trans-58168.2172.800000113.8I398G371-I398 WeakPolarHBondContact CA-O 3.24Å; G371-I398 PolarHBondContact N-O 3.18Å; G371-I398 VanDerWaalsContact N-O 3.16Å
372G86.7Confident93.9Very high10 Ų1030.5 Ų30.510%0.10317%0.168CC..  trans176.6175.217700000110.9
373F83.8Confident93.9Very high75 Ų7531 Ų3133%0.32916%0.164SC..  trans-136.6150.8178.3-65.1-86.5000110.3K306 R479K306-F373 PolarHBondContact NZ-O 3.07Å; F373-R479 VanDerWaalsContact CE2-NH1 3.32Å
374G86.3Confident93.9Very high30 Ų3026 Ų2631%0.30914%0.137SC..SBendtrans77.5174.6177.200000114.3E423G374-E423 PolarHBondContact N-OE1 2.85Å
375S88.6Confident93.9Very high79 Ų7926 Ų2655%0.55214%0.137SC*.SBendtrans-72.7-29.2-17154.40000115.6G377 M378S375-G377 PolarHBondContact O-N 3.05Å; S375-M378 WeakPolarHBondContact O-CB 3.45Å; S375-M378 PolarHBondContact O-N 3.29Å
376R89.4Confident93.9Very high111 Ų11124.6 Ų24.642%0.41913%0.13SC..THydrogen-bonded Turntrans-58120.3-173.7-175-179.588.2-1581.4111.9K306 C340K306-R376 HydrophobicContact CD-CB 4.47Å; K306-R376 VanDerWaalsContact CE-CZ 3.46Å; K306-R376 VanDerWaalsContact CG-NH2 3.3Å; K306-R376 PolarHBondContact O-NH2 3.11Å; C340-R376 WeakPolarHBondContact SG-CG 3.3Å
377G91.6Very high93.9Very high1 Ų128.7 Ų28.71%0.0115%0.146CC..THydrogen-bonded Turntrans85.75.4173.800000114.9S339 E343 S375 K381S339-G377 VanDerWaalsContact CB-O 3.27Å; S339-G377 WeakPolarHBondContact CB-O 3.32Å; S339-G377 VanDerWaalsContact OG-CA 3.27Å; S339-G377 WeakPolarHBondContact OG-CA 3.46Å; S339-G377 PolarHBondContact OG-O 3.28Å; E343-G377 VanDerWaalsContact OE1-C 3.27Å; E343-G377 WeakPolarHBondContact OE1-CA 3.39Å; E343-G377 PolarHBondContact OE1-N 3.35Å; S375-G377 PolarHBondContact O-N 3.05Å; G377-K381 WeakPolarHBondContact O-CG 3.46Å; G377-K381 PolarHBondContact O-N 3.45Å
378M94.1Very high93.9Very high8 Ų828.6 Ų28.64%0.03915%0.146CC..Hα-helixtrans-67.7-45-177.2-175.164.7175.800112.2S375 G380 K381 I382 L400 A404 I407 I424S375-M378 WeakPolarHBondContact O-CB 3.45Å; S375-M378 PolarHBondContact O-N 3.29Å; M378-G380 VanDerWaalsContact C-N 3.28Å; M378-G380 PolarHBondContact O-N 2.76Å; M378-K381 WeakPolarHBondContact O-CB 3.29Å; M378-K381 PolarHBondContact O-N 3.41Å; M378-K381 VanDerWaalsContact O-N 3.07Å; M378-I382 HydrophobicContact CE-CD1 4.22Å; M378-I382 HydrophobicContact CE-CG1 4.25Å; M378-I382 HydrophobicContact CG-CD1 4.06Å; M378-I382 HydrophobicContact CG-CG1 4.49Å; M378-I382 WeakPolarHBondContact O-CG1 3.41Å; M378-I382 PolarHBondContact O-N 3.21Å; M378-L400 HydrophobicContact CE-CD1 4.23Å; M378-L400 HydrophobicContact SD-CD1 3.89Å; M378-L400 HydrophobicContact SD-CG 4.27Å; M378-A404 HydrophobicContact CE-CB 3.73Å; M378-A404 HydrophobicContact SD-CB 4.27Å; M378-I407 HydrophobicContact CE-CD1 3.68Å; M378-I424 HydrophobicContact CB-CD1 3.45Å; M378-I424 VanDerWaalsContact CB-CD1 3.45Å; M378-I424 HydrophobicContact CG-CD1 3.37Å; M378-I424 HydrophobicContact SD-CD1 4.34Å
379E95.3Very high93.9Very high68 Ų6829.8 Ų29.832%0.31815%0.15SC..Hα-helixtrans-65.7-36-175.8-168.262.2-156.200111E343 K381 I382 R383 R411E343-E379 HydrophobicContact CG-CB 4.22Å; E379-K381 VanDerWaalsContact C-N 3.35Å; E379-K381 PolarHBondContact O-N 2.97Å; E379-I382 PolarHBondContact O-N 3.44Å; E379-R383 WeakPolarHBondContact O-CG 3.37Å; E379-R383 PolarHBondContact O-N 3.21Å; E379-R411 IonicContact OE1-NH1 3.18Å; E379-R411 PolarHBondContact OE1-NH1 2.82Å; E379-R411 IonicContact OE2-CZ 2.76Å; E379-R411 IonicContact OE2-NH1 2.91Å; E379-R411 PolarHBondContact OE2-NH1 3.12Å
380G96.3Very high93.9Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-62.9-37.4172.500000113.5S339 M378 R383 A384S339-G380 WeakPolarHBondContact O-CA 3.31Å; M378-G380 VanDerWaalsContact C-N 3.28Å; M378-G380 PolarHBondContact O-N 2.76Å; G380-R383 PolarHBondContact O-N 2.92Å; G380-A384 PolarHBondContact O-N 2.89Å
381K96.9Very high94Very high3 Ų337.9 Ų37.91%0.01319%0.19CC..Hα-helixtrans-67.2-40.1174.3-70.6177.6176.5-165.10112.2V304 V369 P370 G377 M378 E379 R383 A384 C385 L400 A404V304-K381 HydrophobicContact CG1-CG 4.21Å; V369-K381 HydrophobicContact CG1-CB 4.13Å; V369-K381 HydrophobicContact CG1-CD 3.76Å; V369-K381 HydrophobicContact CG1-CG 3.92Å; P370-K381 PolarHBondContact O-NZ 3.4Å; G377-K381 WeakPolarHBondContact O-CG 3.46Å; G377-K381 PolarHBondContact O-N 3.45Å; M378-K381 WeakPolarHBondContact O-CB 3.29Å; M378-K381 PolarHBondContact O-N 3.41Å; M378-K381 VanDerWaalsContact O-N 3.07Å; E379-K381 VanDerWaalsContact C-N 3.35Å; E379-K381 PolarHBondContact O-N 2.97Å; K381-R383 VanDerWaalsContact C-N 3.32Å; K381-R383 PolarHBondContact O-N 2.82Å; K381-A384 PolarHBondContact O-N 2.96Å; K381-C385 PolarHBondContact O-N 3.05Å; K381-C385 PolarHBondContact O-SG 3.48Å; K381-L400 HydrophobicContact CD-CD2 4.49Å; K381-A404 HydrophobicContact CB-CB 4.18Å
382I97Very high94.5Very high4 Ų443.4 Ų43.42%0.02121%0.212CC..Hα-helixtrans-59.5-45.4175.9-68169000109.8M378 E379 A384 C385 Q386 A404 I407 E408M378-I382 HydrophobicContact CE-CD1 4.22Å; M378-I382 HydrophobicContact CE-CG1 4.25Å; M378-I382 HydrophobicContact CG-CD1 4.06Å; M378-I382 HydrophobicContact CG-CG1 4.49Å; M378-I382 WeakPolarHBondContact O-CG1 3.41Å; M378-I382 PolarHBondContact O-N 3.21Å; E379-I382 PolarHBondContact O-N 3.44Å; I382-A384 PolarHBondContact O-N 2.7Å; I382-C385 WeakPolarHBondContact O-CB 3.36Å; I382-C385 PolarHBondContact O-N 3.32Å; I382-Q386 PolarHBondContact O-N 2.93Å; I382-A404 HydrophobicContact CG1-CB 4.28Å; I382-I407 HydrophobicContact CD1-CB 4.41Å; I382-I407 HydrophobicContact CD1-CG2 3.72Å; I382-I407 HydrophobicContact CG1-CG2 4.4Å; I382-E408 HydrophobicContact CG2-CB 3.92Å; I382-E408 HydrophobicContact CG2-CG 4.26Å
383R97.2Very high95Very high55 Ų5545.5 Ų45.521%0.20822%0.219CC..Hα-helixtrans-62.7-41.3176.2-69.1178.1-171.9-114.5-10.8113.1E344 W358 E379 G380 K381 C385 Q386 W387E344-R383 IonicContact OE1-CZ 3.06Å; E344-R383 IonicContact OE1-NH1 2.78Å; E344-R383 PolarHBondContact OE1-NH1 3.15Å; E344-R383 IonicContact OE1-NH2 2.75Å; E344-R383 PolarHBondContact OE1-NH2 3.38Å; E344-R383 IonicContact OE2-NH2 2.93Å; W358-R383 HydrophobicContact CH2-CB 4.08Å; W358-R383 HydrophobicContact CZ2-CB 4.07Å; E379-R383 WeakPolarHBondContact O-CG 3.37Å; E379-R383 PolarHBondContact O-N 3.21Å; G380-R383 PolarHBondContact O-N 2.92Å; K381-R383 VanDerWaalsContact C-N 3.32Å; K381-R383 PolarHBondContact O-N 2.82Å; R383-C385 VanDerWaalsContact C-N 3.33Å; R383-C385 PolarHBondContact O-N 2.83Å; R383-Q386 WeakPolarHBondContact O-CB 3.16Å; R383-Q386 PolarHBondContact O-N 3.28Å; R383-W387 PolarHBondContact O-N 2.65Å
384A98Very high95.7Very high0 Ų042.4 Ų42.40%021%0.206CC..Hα-helixtrans-63-39.2175.300000112.1V304 L342 L361 G380 K381 I382 W387 A388V304-A384 HydrophobicContact CB-CB 4.49Å; V304-A384 HydrophobicContact CG1-CB 4.16Å; V304-A384 HydrophobicContact CG2-CB 4Å; L342-A384 HydrophobicContact CD1-CB 4.31Å; L361-A384 HydrophobicContact CD2-CB 4.19Å; G380-A384 PolarHBondContact O-N 2.89Å; K381-A384 PolarHBondContact O-N 2.96Å; I382-A384 PolarHBondContact O-N 2.7Å; A384-W387 PolarHBondContact O-N 3.17Å; A384-A388 PolarHBondContact O-N 3.48Å
385C98Very high96.3Very high0 Ų041 Ų410%019%0.191CC..Hα-helixtrans-64.3-41.6175.1-650000111.9K381 I382 R383 A388 R389 L395 E408K381-C385 PolarHBondContact O-N 3.05Å; K381-C385 PolarHBondContact O-SG 3.48Å; I382-C385 WeakPolarHBondContact O-CB 3.36Å; I382-C385 PolarHBondContact O-N 3.32Å; R383-C385 VanDerWaalsContact C-N 3.33Å; R383-C385 PolarHBondContact O-N 2.83Å; C385-A388 PolarHBondContact O-N 2.81Å; C385-R389 PolarHBondContact O-N 3.43Å; C385-L395 HydrophobicContact CB-CD1 4.27Å; C385-E408 HydrophobicContact CB-CB 4.25Å; C385-E408 HydrophobicContact CB-CG 4.29Å
386Q97.9Very high96.8Very high57 Ų5737.2 Ų37.227%0.26617%0.165SC..Hα-helixtrans-60.3-49.8176.6178.4-179.7-13.600110.7I382 R383 A388 R389 E390 E408 N412I382-Q386 PolarHBondContact O-N 2.93Å; R383-Q386 WeakPolarHBondContact O-CB 3.16Å; R383-Q386 PolarHBondContact O-N 3.28Å; Q386-A388 VanDerWaalsContact C-N 3.27Å; Q386-A388 PolarHBondContact O-N 3.5Å; Q386-R389 PolarHBondContact O-N 2.88Å; Q386-E390 HydrophobicContact CG-CG 4.44Å; Q386-E390 WeakPolarHBondContact CG-OE1 3.36Å; Q386-E390 PolarHBondContact NE2-OE1 2.67Å; Q386-E390 PolarHBondContact NE2-OE2 3.35Å; Q386-E390 WeakPolarHBondContact O-CG 3.32Å; Q386-E390 PolarHBondContact O-N 2.91Å; Q386-E408 WeakPolarHBondContact CA-OE1 3.44Å; Q386-E408 HydrophobicContact CB-CG 3.59Å; Q386-E408 WeakPolarHBondContact CB-OE1 3.44Å; Q386-E408 HydrophobicContact CG-CG 4.48Å; Q386-E408 WeakPolarHBondContact CG-OE1 3.39Å; Q386-N412 PolarHBondContact OE1-ND2 2.8Å
387W98.2Very high97.2Very high85 Ų8531.9 Ų31.932%0.32215%0.145SC..Hα-helixtrans-58.4-41.4179.5-177.1-101.3000111.9W358 C362 R383 A384 N391W358-W387 HydrophobicContact CH2-CB 4.37Å; W358-W387 HydrophobicContact CZ3-CB 3.94Å; W358-W387 HydrophobicContact CZ3-CD2 4.05Å; W358-W387 HydrophobicContact CZ3-CE3 4.35Å; W358-W387 AromaticContact CZ3-CG 3.87Å; W358-W387 HydrophobicContact CZ3-CG 3.87Å; C362-W387 WeakPolarHBondContact SG-CZ2 3.4Å; R383-W387 PolarHBondContact O-N 2.65Å; A384-W387 PolarHBondContact O-N 3.17Å; W387-N391 WeakPolarHBondContact CH2-ND2 3.17Å; W387-N391 WeakPolarHBondContact CZ2-ND2 3.2Å; W387-N391 WeakPolarHBondContact CZ3-ND2 3.24Å; W387-N391 WeakPolarHBondContact O-CB 3.24Å; W387-N391 PolarHBondContact O-N 3.05Å; W387-N391 VanDerWaalsContact O-N 3.11Å; W387-N391 PolarHBondContact O-ND2 2.75Å; W387-N391 VanDerWaalsContact O-ND2 3.12Å
388A98.3Very high97.5Very high0 Ų031.9 Ų31.90%014%0.144CC..Hα-helixtrans-61.3-49177.100000111.7I367 A384 C385 Q386 E390 Q392 K393 L395 H517I367-A388 HydrophobicContact CD1-CB 3.73Å; A384-A388 PolarHBondContact O-N 3.48Å; C385-A388 PolarHBondContact O-N 2.81Å; Q386-A388 VanDerWaalsContact C-N 3.27Å; Q386-A388 PolarHBondContact O-N 3.5Å; A388-E390 PolarHBondContact O-N 3.08Å; A388-Q392 PolarHBondContact O-N 3.01Å; A388-K393 HydrophobicContact CB-CB 4.49Å; A388-K393 PolarHBondContact O-N 2.93Å; A388-L395 HydrophobicContact CB-CB 4.03Å; A388-L395 HydrophobicContact CB-CD1 3.48Å; A388-L395 VanDerWaalsContact CB-CD1 3.48Å; A388-L395 HydrophobicContact CB-CG 4.38Å; A388-H517 PolarHBondContact O-NE2 3.07Å
389R98Very high97.5Very high24 Ų2431.7 Ų31.79%0.09114%0.144CC..Hα-helixtrans-59.7-44.5179.6-177.8-178.259.860.91.5112.3C385 Q386 E408 L514 F520C385-R389 PolarHBondContact O-N 3.43Å; Q386-R389 PolarHBondContact O-N 2.88Å; R389-E408 IonicContact CZ-OE1 3.78Å; R389-E408 IonicContact NE-OE1 3.47Å; R389-E408 PolarHBondContact NE-OE1 2.92Å; R389-E408 IonicContact NE-OE2 2.64Å; R389-E408 PolarHBondContact NE-OE2 3.23Å; R389-E408 VanDerWaalsContact NE-OE2 3.09Å; R389-E408 IonicContact NH2-OE1 3.52Å; R389-E408 PolarHBondContact NH2-OE1 3.46Å; R389-L514 HydrophobicContact CG-CD2 3.61Å; R389-F520 HydrophobicContact CB-CE2 4.06Å
390E97.7Very high97.5Very high99 Ų9928.8 Ų28.846%0.46313%0.131SC..Hα-helixtrans-75.9-32.3-173.9-71.1176179.600112.8Q386 A388Q386-E390 HydrophobicContact CG-CG 4.44Å; Q386-E390 WeakPolarHBondContact CG-OE1 3.36Å; Q386-E390 PolarHBondContact NE2-OE1 2.67Å; Q386-E390 PolarHBondContact NE2-OE2 3.35Å; Q386-E390 WeakPolarHBondContact O-CG 3.32Å; Q386-E390 PolarHBondContact O-N 2.91Å; A388-E390 PolarHBondContact O-N 3.08Å
391N97.6Very high97.5Very high73 Ų7328.8 Ų28.839%0.3913%0.131SC..THydrogen-bonded Turntrans-100.615.9-179.1-63.6-58.8000114W387 K393W387-N391 WeakPolarHBondContact CH2-ND2 3.17Å; W387-N391 WeakPolarHBondContact CZ2-ND2 3.2Å; W387-N391 WeakPolarHBondContact CZ3-ND2 3.24Å; W387-N391 WeakPolarHBondContact O-CB 3.24Å; W387-N391 PolarHBondContact O-N 3.05Å; W387-N391 VanDerWaalsContact O-N 3.11Å; W387-N391 PolarHBondContact O-ND2 2.75Å; W387-N391 VanDerWaalsContact O-ND2 3.12Å; N391-K393 HydrophobicContact CB-CG 4.15Å; N391-K393 PolarHBondContact O-N 2.68Å; N391-K393 VanDerWaalsContact O-N 3.11Å
392Q97.2Very high97.5Very high130 Ų13028.7 Ų28.761%0.60713%0.13SC*.THydrogen-bonded Turntrans53.830.9179.6-59.4-175.8-21.500113.5A388 H517 P518A388-Q392 PolarHBondContact O-N 3.01Å; Q392-H517 VanDerWaalsContact CA-NE2 3.34Å; Q392-H517 WeakPolarHBondContact CA-NE2 3.27Å; Q392-P518 HydrophobicContact CB-CG 4.3Å; Q392-P518 WeakPolarHBondContact O-CG 3.07Å
393K98Very high97.4Very high54 Ų5428.7 Ų28.724%0.23513%0.13CC..  trans-86126.1-179.1-69.1-73.8-170.5155.60109.6C362 S364 I367 A388 N391 L395 H517C362-K393 PolarHBondContact O-NZ 3.45Å; S364-K393 PolarHBondContact O-NZ 3.4Å; I367-K393 HydrophobicContact CD1-CB 4.37Å; A388-K393 HydrophobicContact CB-CB 4.49Å; A388-K393 PolarHBondContact O-N 2.93Å; N391-K393 HydrophobicContact CB-CG 4.15Å; N391-K393 PolarHBondContact O-N 2.68Å; N391-K393 VanDerWaalsContact O-N 3.11Å; K393-L395 PolarHBondContact O-N 3.38Å; K393-H517 PolarHBondContact O-CE1 3.48Å; K393-H517 PolarHBondContact O-NE2 3.2Å
394P98.4Very high97.4Very high9 Ų926 Ų266%0.05812%0.12CC..  trans-48.9129.3177.4-31.336.8000113.2H365 G366 I367 Y519 L543 A546H365-P394 WeakPolarHBondContact O-CD 3.37Å; G366-P394 CarbonylContact C-O 3.59Å; G366-P394 WeakPolarHBondContact CA-O 3.49Å; I367-P394 PolarHBondContact N-O 2.93Å; P394-Y519 CarbonylContact C-O 3.55Å; P394-Y519 VanDerWaalsContact CA-O 3.26Å; P394-Y519 WeakPolarHBondContact CA-O 3.36Å; P394-L543 HydrophobicContact CB-CD1 3.87Å; P394-A546 HydrophobicContact CB-CB 3.83Å; P394-A546 HydrophobicContact CG-CB 3.7Å
395L98.6Very high97.4Very high0 Ų026 Ų260%012%0.12CC..EExtended strand (participates in β ladder)trans-128.1135.2-179.9-175.1144.9000111.8I367 C385 A388 K393 Y519 F520 V521I367-L395 HydrophobicContact CG2-CD1 4.29Å; I367-L395 VanDerWaalsContact O-CA 3.3Å; I367-L395 WeakPolarHBondContact O-CA 3.28Å; C385-L395 HydrophobicContact CB-CD1 4.27Å; A388-L395 HydrophobicContact CB-CB 4.03Å; A388-L395 HydrophobicContact CB-CD1 3.48Å; A388-L395 VanDerWaalsContact CB-CD1 3.48Å; A388-L395 HydrophobicContact CB-CG 4.38Å; K393-L395 PolarHBondContact O-N 3.38Å; L395-Y519 PolarHBondContact N-O 3.37Å; L395-F520 HydrophobicContact CB-CD2 3.96Å; L395-F520 HydrophobicContact CB-CE2 4.24Å; L395-F520 HydrophobicContact CD1-CE2 4.08Å; L395-F520 HydrophobicContact CD2-CD2 4.37Å; L395-F520 HydrophobicContact CD2-CE2 4.11Å; L395-F520 HydrophobicContact CD2-CZ 4.19Å; L395-F520 HydrophobicContact CG-CE2 4.37Å; L395-V521 PolarHBondContact O-N 3.26Å
396L98.7Very high97.4Very high0 Ų026 Ų260%012%0.12CC..EExtended strand (participates in β ladder)trans-119.5113.3165-177.561000110.4I367 L368 V369 I398 V521 P539 F540 L543I367-L396 PolarHBondContact O-N 2.98Å; L368-L396 WeakPolarHBondContact CA-O 3.31Å; L368-L396 HydrophobicContact CD1-CD2 4.15Å; V369-L396 PolarHBondContact N-O 3.36Å; L396-I398 HydrophobicContact CD2-CD1 4.47Å; L396-I398 HydrophobicContact CG-CG1 4.26Å; L396-V521 VanDerWaalsContact CA-O 3.25Å; L396-V521 WeakPolarHBondContact CA-O 3.41Å; L396-V521 HydrophobicContact CD1-CB 4.43Å; L396-V521 HydrophobicContact CD1-CG1 4.36Å; L396-P539 HydrophobicContact CD1-CB 3.84Å; L396-P539 HydrophobicContact CD2-CB 4.12Å; L396-F540 HydrophobicContact CD2-CD1 4.24Å; L396-F540 HydrophobicContact CD2-CD2 4.34Å; L396-F540 HydrophobicContact CD2-CE1 4.37Å; L396-F540 HydrophobicContact CD2-CE2 4.46Å; L396-F540 HydrophobicContact CD2-CG 4.24Å; L396-F540 HydrophobicContact CD2-CZ 4.47Å; L396-L543 HydrophobicContact CB-CB 4.4Å; L396-L543 HydrophobicContact CB-CD1 4.23Å; L396-L543 HydrophobicContact CB-CD2 3.92Å; L396-L543 HydrophobicContact CB-CG 4.41Å; L396-L543 HydrophobicContact CD2-CD2 4.48Å
397G98.1Very high97.4Very high0 Ų023.3 Ų23.30%011%0.107CC..EExtended strand (participates in β ladder)trans-95.8133.2170.400000111.4V521 A522 T523G397-V521 PolarHBondContact N-O 3.38Å; G397-A522 CarbonylContact O-C 3.51Å; G397-A522 WeakPolarHBondContact O-CA 3.25Å; G397-T523 PolarHBondContact O-N 3.02Å
398I97.7Very high97.4Very high0 Ų019.3 Ų19.30%09%0.092CC..EExtended strand (participates in β ladder)trans-120.2126.6178.2-57.2173.5000109L368 V369 P370 G371 L396 L400 G401 T523 P527 F540L368-I398 HydrophobicContact CD1-CD1 4.27Å; L368-I398 HydrophobicContact CD2-CD1 4.34Å; L368-I398 HydrophobicContact CG-CD1 4.48Å; V369-I398 PolarHBondContact O-N 3.05Å; P370-I398 CarbonylContact C-O 3.54Å; G371-I398 WeakPolarHBondContact CA-O 3.24Å; G371-I398 PolarHBondContact N-O 3.18Å; G371-I398 VanDerWaalsContact N-O 3.16Å; L396-I398 HydrophobicContact CD2-CD1 4.47Å; L396-I398 HydrophobicContact CG-CG1 4.26Å; I398-L400 PolarHBondContact O-N 3.08Å; I398-G401 PolarHBondContact O-N 2.98Å; I398-T523 CarbonylContact C-O 3.58Å; I398-P527 HydrophobicContact CD1-CG 4.34Å; I398-P527 HydrophobicContact CG1-CG 4.37Å; I398-F540 HydrophobicContact CD1-CE1 4.41Å; I398-F540 HydrophobicContact CD1-CE2 4.13Å; I398-F540 HydrophobicContact CD1-CZ 3.59Å
399C95.5Very high97.3Very high4 Ų419.4 Ų19.43%0.0279%0.093CC..THydrogen-bonded Turntrans52.6-105.4178.4177.90000110.7G401 L402 Q403 T523 H526C399-G401 PolarHBondContact O-N 2.96Å; C399-G401 VanDerWaalsContact O-N 3.08Å; C399-L402 WeakPolarHBondContact O-CB 3.08Å; C399-L402 PolarHBondContact O-N 2.97Å; C399-Q403 PolarHBondContact O-N 3.01Å; C399-T523 PolarHBondContact N-O 3.36Å; C399-H526 WeakPolarHBondContact CB-NE2 3.47Å
400L93.8Very high97.3Very high8 Ų818.3 Ų18.34%0.0429%0.088CC..Hα-helixtrans-54.2-28.4173.5-17561.6000113.5M378 K381 I398 L402 Q403 A404M378-L400 HydrophobicContact CE-CD1 4.23Å; M378-L400 HydrophobicContact SD-CD1 3.89Å; M378-L400 HydrophobicContact SD-CG 4.27Å; K381-L400 HydrophobicContact CD-CD2 4.49Å; I398-L400 PolarHBondContact O-N 3.08Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.34Å; L400-Q403 HydrophobicContact CD1-CB 4.32Å; L400-Q403 PolarHBondContact O-N 3.07Å; L400-A404 PolarHBondContact O-N 3.31Å
401G96.1Very high97.3Very high0 Ų015 Ų150%07%0.072CC..Hα-helixtrans-62.8-33.8173.600000113.7I398 C399 A405I398-G401 PolarHBondContact O-N 2.98Å; C399-G401 PolarHBondContact O-N 2.96Å; C399-G401 VanDerWaalsContact O-N 3.08Å; G401-A405 WeakPolarHBondContact O-CB 3.5Å; G401-A405 PolarHBondContact O-N 2.91Å; G401-A405 VanDerWaalsContact O-N 3.09Å
402L97.3Very high97.2Very high0 Ų014 Ų140%07%0.066CC..Hα-helixtrans-66.8-43.8172.4-179.4151.6000110.8C399 L400 A404 A405 V406 V484 I512 A522 Q524C399-L402 WeakPolarHBondContact O-CB 3.08Å; C399-L402 PolarHBondContact O-N 2.97Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.34Å; L402-A404 PolarHBondContact O-N 3.37Å; L402-A405 PolarHBondContact O-N 2.84Å; L402-V406 HydrophobicContact CD2-CG2 4.12Å; L402-V406 WeakPolarHBondContact O-CG2 3.38Å; L402-V406 PolarHBondContact O-N 3.27Å; L402-V484 HydrophobicContact CD2-CG2 3.8Å; L402-I512 HydrophobicContact CD1-CG1 4.46Å; L402-I512 HydrophobicContact CD1-CG2 4.34Å; L402-I512 HydrophobicContact CG-CD1 4.21Å; L402-I512 HydrophobicContact CG-CG1 4.44Å; L402-A522 HydrophobicContact CB-CB 3.76Å; L402-A522 HydrophobicContact CD1-CB 4.38Å; L402-A522 HydrophobicContact CG-CB 4.11Å; L402-Q524 HydrophobicContact CD1-CG 4Å; L402-Q524 HydrophobicContact CD2-CG 4.35Å
403Q96.1Very high97.1Very high4 Ų413.4 Ų13.42%0.0196%0.062CC..Hα-helixtrans-61.4-45.2178.2-56.9179.222.500111.3C399 L400 A405 V406 I407 V433C399-Q403 PolarHBondContact O-N 3.01Å; L400-Q403 HydrophobicContact CD1-CB 4.32Å; L400-Q403 PolarHBondContact O-N 3.07Å; Q403-A405 PolarHBondContact O-N 2.47Å; Q403-V406 PolarHBondContact O-N 3.08Å; Q403-I407 WeakPolarHBondContact O-CB 3.49Å; Q403-I407 WeakPolarHBondContact O-CD1 3.32Å; Q403-I407 VanDerWaalsContact O-CG1 3.25Å; Q403-I407 WeakPolarHBondContact O-CG1 3.33Å; Q403-I407 PolarHBondContact O-N 3.12Å; Q403-V433 HydrophobicContact CB-CG1 4.5Å; Q403-V433 HydrophobicContact CB-CG2 4.26Å; Q403-V433 HydrophobicContact CG-CG1 3.98Å; Q403-V433 HydrophobicContact CG-CG2 4.38Å
404A96.9Very high97Very high0 Ų012.6 Ų12.60%06%0.06CC..Hα-helixtrans-61.4-42177.100000112.3M378 K381 I382 L400 L402 I407 E408M378-A404 HydrophobicContact CE-CB 3.73Å; M378-A404 HydrophobicContact SD-CB 4.27Å; K381-A404 HydrophobicContact CB-CB 4.18Å; I382-A404 HydrophobicContact CG1-CB 4.28Å; L400-A404 PolarHBondContact O-N 3.31Å; L402-A404 PolarHBondContact O-N 3.37Å; A404-I407 PolarHBondContact O-N 2.83Å; A404-E408 WeakPolarHBondContact O-CB 3.46Å; A404-E408 PolarHBondContact O-N 3.47Å
405A97.7Very high96.8Very high0 Ų014.3 Ų14.30%08%0.079CC..Hα-helixtrans-64.8-41.4177.500000112.7G401 L402 Q403 F409 I512 F520G401-A405 WeakPolarHBondContact O-CB 3.5Å; G401-A405 PolarHBondContact O-N 2.91Å; G401-A405 VanDerWaalsContact O-N 3.09Å; L402-A405 PolarHBondContact O-N 2.84Å; Q403-A405 PolarHBondContact O-N 2.47Å; A405-F409 WeakPolarHBondContact O-CB 3.5Å; A405-F409 PolarHBondContact O-N 3.46Å; A405-F409 VanDerWaalsContact O-N 3.08Å; A405-I512 HydrophobicContact CB-CD1 4.04Å; A405-F520 HydrophobicContact CB-CE1 3.93Å; A405-F520 HydrophobicContact CB-CZ 3.88Å
406V97.8Very high96.7Very high0 Ų016.2 Ų16.20%09%0.089CC..Hα-helixtrans-68.3-41.7178.1171.80000111.3L402 Q403 F409 A410 L432 V484 L492 I512L402-V406 HydrophobicContact CD2-CG2 4.12Å; L402-V406 WeakPolarHBondContact O-CG2 3.38Å; L402-V406 PolarHBondContact O-N 3.27Å; Q403-V406 PolarHBondContact O-N 3.08Å; V406-F409 PolarHBondContact O-N 2.74Å; V406-A410 PolarHBondContact O-N 3.46Å; V406-L432 HydrophobicContact CG1-CD1 4.38Å; V406-L432 HydrophobicContact CG1-CD2 3.67Å; V406-L432 HydrophobicContact CG1-CG 3.92Å; V406-V484 HydrophobicContact CG1-CG1 4.39Å; V406-V484 HydrophobicContact CG1-CG2 4.4Å; V406-V484 HydrophobicContact CG2-CG2 4.25Å; V406-L492 HydrophobicContact CG1-CD1 3.72Å; V406-I512 HydrophobicContact CG2-CD1 3.88Å; V406-I512 HydrophobicContact CG2-CG2 4.43Å
407I97.5Very high96.5Very high0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-64.2-45.9176.2-67.9164.7000111.1M378 I382 Q403 A404 F409 A410 R411 A419 T421 L432 V433M378-I407 HydrophobicContact CE-CD1 3.68Å; I382-I407 HydrophobicContact CD1-CB 4.41Å; I382-I407 HydrophobicContact CD1-CG2 3.72Å; I382-I407 HydrophobicContact CG1-CG2 4.4Å; Q403-I407 WeakPolarHBondContact O-CB 3.49Å; Q403-I407 WeakPolarHBondContact O-CD1 3.32Å; Q403-I407 VanDerWaalsContact O-CG1 3.25Å; Q403-I407 WeakPolarHBondContact O-CG1 3.33Å; Q403-I407 PolarHBondContact O-N 3.12Å; A404-I407 PolarHBondContact O-N 2.83Å; I407-F409 VanDerWaalsContact C-N 3.32Å; I407-F409 PolarHBondContact O-N 2.75Å; I407-A410 PolarHBondContact O-N 2.93Å; I407-R411 HydrophobicContact CG2-CG 4.38Å; I407-R411 WeakPolarHBondContact O-CG 3.36Å; I407-R411 PolarHBondContact O-N 3.12Å; I407-A419 WeakPolarHBondContact CG2-O 3.3Å; I407-T421 HydrophobicContact CD1-CG2 4.2Å; I407-L432 HydrophobicContact CG1-CD2 4.16Å; I407-V433 HydrophobicContact CG1-CG2 4.47Å
408E97.3Very high96.4Very high0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans-54.7-50175.2-175.5-81.3144.900111.5I382 C385 Q386 R389 A404 A410 R411 N412I382-E408 HydrophobicContact CG2-CB 3.92Å; I382-E408 HydrophobicContact CG2-CG 4.26Å; C385-E408 HydrophobicContact CB-CB 4.25Å; C385-E408 HydrophobicContact CB-CG 4.29Å; Q386-E408 WeakPolarHBondContact CA-OE1 3.44Å; Q386-E408 HydrophobicContact CB-CG 3.59Å; Q386-E408 WeakPolarHBondContact CB-OE1 3.44Å; Q386-E408 HydrophobicContact CG-CG 4.48Å; Q386-E408 WeakPolarHBondContact CG-OE1 3.39Å; R389-E408 IonicContact CZ-OE1 3.78Å; R389-E408 IonicContact NE-OE1 3.47Å; R389-E408 PolarHBondContact NE-OE1 2.92Å; R389-E408 IonicContact NE-OE2 2.64Å; R389-E408 PolarHBondContact NE-OE2 3.23Å; R389-E408 VanDerWaalsContact NE-OE2 3.09Å; R389-E408 IonicContact NH2-OE1 3.52Å; R389-E408 PolarHBondContact NH2-OE1 3.46Å; A404-E408 WeakPolarHBondContact O-CB 3.46Å; A404-E408 PolarHBondContact O-N 3.47Å; E408-A410 VanDerWaalsContact C-N 3.35Å; E408-A410 PolarHBondContact O-N 3.26Å; E408-R411 PolarHBondContact O-N 3.05Å; E408-N412 WeakPolarHBondContact O-CB 3.31Å; E408-N412 PolarHBondContact O-N 3.37Å; E408-N412 WeakPolarHBondContact OE1-CB 3.48Å; E408-N412 PolarHBondContact OE1-ND2 2.96Å
409F97.9Very high96.3Very high3 Ų326.3 Ų26.31%0.01314%0.137CC..Hα-helixtrans-63.8-41.6-176.7-170.3-95.3000111.7A405 V406 I407 N412 K413 L414 L492 Q495 M497 L514A405-F409 WeakPolarHBondContact O-CB 3.5Å; A405-F409 PolarHBondContact O-N 3.46Å; A405-F409 VanDerWaalsContact O-N 3.08Å; V406-F409 PolarHBondContact O-N 2.74Å; I407-F409 VanDerWaalsContact C-N 3.32Å; I407-F409 PolarHBondContact O-N 2.75Å; F409-N412 PolarHBondContact O-N 3.33Å; F409-K413 HydrophobicContact CD1-CB 4.38Å; F409-K413 HydrophobicContact CD2-CB 4.19Å; F409-K413 HydrophobicContact CD2-CG 3.85Å; F409-K413 HydrophobicContact CE1-CB 4.19Å; F409-K413 HydrophobicContact CE2-CB 3.98Å; F409-K413 HydrophobicContact CE2-CG 3.63Å; F409-K413 HydrophobicContact CG-CB 4.39Å; F409-K413 HydrophobicContact CG-CG 4.5Å; F409-K413 HydrophobicContact CZ-CB 3.99Å; F409-K413 HydrophobicContact CZ-CG 4.11Å; F409-K413 WeakPolarHBondContact O-CA 3.43Å; F409-K413 WeakPolarHBondContact O-CB 3.38Å; F409-K413 PolarHBondContact O-N 2.88Å; F409-L414 PolarHBondContact O-N 3.35Å; F409-L492 HydrophobicContact CD1-CD2 3.69Å; F409-L492 HydrophobicContact CE1-CD2 4.3Å; F409-Q495 HydrophobicContact CE1-CB 3.76Å; F409-Q495 HydrophobicContact CZ-CB 3.74Å; F409-M497 HydrophobicContact CB-CE 3.64Å; F409-M497 HydrophobicContact CD1-CB 4Å; F409-M497 HydrophobicContact CD1-CE 4.2Å; F409-M497 HydrophobicContact CD2-CE 3.6Å; F409-M497 HydrophobicContact CE1-CB 3.72Å; F409-M497 HydrophobicContact CE2-CB 4.43Å; F409-M497 HydrophobicContact CE2-CE 4.27Å; F409-M497 HydrophobicContact CG-CB 4.45Å; F409-M497 HydrophobicContact CG-CE 3.55Å; F409-M497 HydrophobicContact CZ-CB 3.96Å; F409-L514 HydrophobicContact CD2-CD1 4.16Å; F409-L514 HydrophobicContact CE2-CD1 3.51Å; F409-L514 HydrophobicContact CZ-CD1 4.15Å
410A97.7Very high96.3Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-63.8-42.4175.200000112.7V406 I407 E408 L414 G415 L416 A419 L432 L492V406-A410 PolarHBondContact O-N 3.46Å; I407-A410 PolarHBondContact O-N 2.93Å; E408-A410 VanDerWaalsContact C-N 3.35Å; E408-A410 PolarHBondContact O-N 3.26Å; A410-L414 HydrophobicContact CB-CD1 4.38Å; A410-L414 CarbonylContact O-C 3.6Å; A410-L414 WeakPolarHBondContact O-CB 3.35Å; A410-L414 PolarHBondContact O-N 2.86Å; A410-G415 PolarHBondContact O-N 2.98Å; A410-G415 VanDerWaalsContact O-N 3.13Å; A410-L416 HydrophobicContact CB-CB 4.5Å; A410-L416 PolarHBondContact O-N 2.82Å; A410-A419 HydrophobicContact CB-CB 4.08Å; A410-L432 HydrophobicContact CB-CD2 3.45Å; A410-L432 VanDerWaalsContact CB-CD2 3.45Å; A410-L492 HydrophobicContact CB-CD2 4.49Å
411R97.3Very high96.4Very high30 Ų3026.8 Ų26.811%0.11314%0.139CC..Hα-helixtrans-67.2-38.5178.5-70.9179.6-178.4-176.24112.5E379 I407 E408 L416 K417 A419E379-R411 IonicContact OE1-NH1 3.18Å; E379-R411 PolarHBondContact OE1-NH1 2.82Å; E379-R411 IonicContact OE2-CZ 2.76Å; E379-R411 IonicContact OE2-NH1 2.91Å; E379-R411 PolarHBondContact OE2-NH1 3.12Å; I407-R411 HydrophobicContact CG2-CG 4.38Å; I407-R411 WeakPolarHBondContact O-CG 3.36Å; I407-R411 PolarHBondContact O-N 3.12Å; E408-R411 PolarHBondContact O-N 3.05Å; R411-L416 WeakPolarHBondContact CG-O 3.47Å; R411-K417 WeakPolarHBondContact O-CD 3.43Å; R411-K417 WeakPolarHBondContact O-CE 3.5Å; R411-K417 PolarHBondContact O-NZ 3.09Å; R411-A419 PolarHBondContact NE-O 2.83Å; R411-A419 PolarHBondContact NH2-O 2.93Å
412N96.1Very high96.4Very high52 Ų5228.3 Ų28.328%0.27815%0.149SC..Hα-helixtrans-99.9-37.7-168.8-70-29.7000114.3Q386 E408 F409Q386-N412 PolarHBondContact OE1-ND2 2.8Å; E408-N412 WeakPolarHBondContact O-CB 3.31Å; E408-N412 PolarHBondContact O-N 3.37Å; E408-N412 WeakPolarHBondContact OE1-CB 3.48Å; E408-N412 PolarHBondContact OE1-ND2 2.96Å; F409-N412 PolarHBondContact O-N 3.33Å
413K95.3Very high96.2Very high117 Ų11730.1 Ų30.151%0.50916%0.157SC..THydrogen-bonded Turntrans-93.5-39179-70.2-71.3178.5-177.50113.2F409F409-K413 HydrophobicContact CD1-CB 4.38Å; F409-K413 HydrophobicContact CD2-CB 4.19Å; F409-K413 HydrophobicContact CD2-CG 3.85Å; F409-K413 HydrophobicContact CE1-CB 4.19Å; F409-K413 HydrophobicContact CE2-CB 3.98Å; F409-K413 HydrophobicContact CE2-CG 3.63Å; F409-K413 HydrophobicContact CG-CB 4.39Å; F409-K413 HydrophobicContact CG-CG 4.5Å; F409-K413 HydrophobicContact CZ-CB 3.99Å; F409-K413 HydrophobicContact CZ-CG 4.11Å; F409-K413 WeakPolarHBondContact O-CA 3.43Å; F409-K413 WeakPolarHBondContact O-CB 3.38Å; F409-K413 PolarHBondContact O-N 2.88Å
414L94.9Very high96Very high37 Ų3732.5 Ų32.519%0.19417%0.169CC..SBendtrans-90.5-14.5179.1-65.9169.3000113.6F409 A410 L416 L491 L492 Q495F409-L414 PolarHBondContact O-N 3.35Å; A410-L414 HydrophobicContact CB-CD1 4.38Å; A410-L414 CarbonylContact O-C 3.6Å; A410-L414 WeakPolarHBondContact O-CB 3.35Å; A410-L414 PolarHBondContact O-N 2.86Å; L414-L416 VanDerWaalsContact C-N 3.27Å; L414-L416 HydrophobicContact CB-CD1 4.37Å; L414-L416 HydrophobicContact CB-CG 4.12Å; L414-L416 PolarHBondContact O-N 3.3Å; L414-L491 HydrophobicContact CD1-CD2 3.76Å; L414-L491 HydrophobicContact CD1-CG 3.65Å; L414-L491 HydrophobicContact CD2-CD1 3.79Å; L414-L491 HydrophobicContact CD2-CD2 4.17Å; L414-L491 HydrophobicContact CD2-CG 3.63Å; L414-L491 HydrophobicContact CG-CD2 4.46Å; L414-L491 HydrophobicContact CG-CG 4.26Å; L414-L492 HydrophobicContact CD1-CD2 3.74Å; L414-L492 HydrophobicContact CD1-CG 4.41Å; L414-Q495 HydrophobicContact CD2-CB 4.44Å; L414-Q495 HydrophobicContact CD2-CG 3.39Å; L414-Q495 HydrophobicContact CG-CG 4.29Å
415G95Very high95.9Very high46 Ų4634.9 Ų34.947%0.47418%0.182SC..  trans75.211.8-178.500000114.4A410 K417A410-G415 PolarHBondContact O-N 2.98Å; A410-G415 VanDerWaalsContact O-N 3.13Å; G415-K417 VanDerWaalsContact C-N 3.26Å; G415-K417 PolarHBondContact O-N 2.96Å
416L95.6Very high95.7Very high40 Ų4039 Ų3921%0.20921%0.208CC..  trans-78.972.9176.7-59.4178.8000110.1A410 R411 L414 D418 A419 L491A410-L416 HydrophobicContact CB-CB 4.5Å; A410-L416 PolarHBondContact O-N 2.82Å; R411-L416 WeakPolarHBondContact CG-O 3.47Å; L414-L416 VanDerWaalsContact C-N 3.27Å; L414-L416 HydrophobicContact CB-CD1 4.37Å; L414-L416 HydrophobicContact CB-CG 4.12Å; L414-L416 PolarHBondContact O-N 3.3Å; L416-D418 PolarHBondContact O-N 3.38Å; L416-A419 HydrophobicContact CB-CB 3.96Å; L416-A419 WeakPolarHBondContact O-CB 3.43Å; L416-A419 PolarHBondContact O-N 2.98Å; L416-L491 HydrophobicContact CD1-CD2 3.93Å
417K95.3Very high95.6Very high137 Ų13745.9 Ų45.960%0.59625%0.246SC*.THydrogen-bonded Turntrans-59.6-31.7-173.6-63.1-56.3-176.4-170.40114.1R411 G415 A419R411-K417 WeakPolarHBondContact O-CD 3.43Å; R411-K417 WeakPolarHBondContact O-CE 3.5Å; R411-K417 PolarHBondContact O-NZ 3.09Å; G415-K417 VanDerWaalsContact C-N 3.26Å; G415-K417 PolarHBondContact O-N 2.96Å; K417-A419 VanDerWaalsContact C-N 3.3Å
418D95.3Very high95.5Very high74 Ų7446.5 Ų46.540%0.39625%0.249SC..THydrogen-bonded Turntrans-79.7-8.8178.2-176.362.5000113.3L416 N420 T428 A429L416-D418 PolarHBondContact O-N 3.38Å; D418-N420 PolarHBondContact O-N 3.36Å; D418-T428 PolarHBondContact O-OG1 2.93Å; D418-T428 PolarHBondContact OD2-OG1 3.15Å; D418-A429 WeakPolarHBondContact OD2-CB 3.1Å; D418-A429 PolarHBondContact OD2-N 2.81Å
419A96.2Very high95.4Very high0 Ų050.3 Ų50.30%028%0.281CS..  trans-59.1127.4-177.500000111.8I407 A410 R411 L416 K417 N430 L432I407-A419 WeakPolarHBondContact CG2-O 3.3Å; A410-A419 HydrophobicContact CB-CB 4.08Å; R411-A419 PolarHBondContact NE-O 2.83Å; R411-A419 PolarHBondContact NH2-O 2.93Å; L416-A419 HydrophobicContact CB-CB 3.96Å; L416-A419 WeakPolarHBondContact O-CB 3.43Å; L416-A419 PolarHBondContact O-N 2.98Å; K417-A419 VanDerWaalsContact C-N 3.3Å; A419-N430 WeakPolarHBondContact CA-O 3.48Å; A419-N430 HydrophobicContact CB-CB 4.02Å; A419-L432 HydrophobicContact CB-CB 4.38Å; A419-L432 HydrophobicContact CB-CD2 4.2Å
420N95.7Very high95.3Very high22 Ų2251.9 Ų51.912%0.11829%0.289CS..EExtended strand (participates in β ladder)trans-150.5171.1-178.4-146-17000111.8D418 D425 T428 N430 L432D418-N420 PolarHBondContact O-N 3.36Å; N420-D425 HydrophobicContact CB-CB 4.41Å; N420-T428 HydrophobicContact CB-CG2 4.24Å; N420-N430 PolarHBondContact N-O 3.29Å; N420-L432 PolarHBondContact O-N 2.92Å
421T95.5Very high95.2Very high0 Ų053 Ų530%030%0.298CS..EExtended strand (participates in β ladder)trans-84.7140.5168.6176.80000110.5I407 E423 I424 D425 V433I407-T421 HydrophobicContact CD1-CG2 4.2Å; T421-E423 HydrophobicContact CG2-CB 4.03Å; T421-E423 PolarHBondContact O-N 3.14Å; T421-E423 WeakPolarHBondContact OG1-CB 3.45Å; T421-E423 PolarHBondContact OG1-N 2.8Å; T421-I424 HydrophobicContact CG2-CB 3.97Å; T421-I424 HydrophobicContact CG2-CD1 3.66Å; T421-I424 HydrophobicContact CG2-CG1 3.64Å; T421-I424 PolarHBondContact O-N 3.5Å; T421-I424 VanDerWaalsContact O-N 3.09Å; T421-D425 PolarHBondContact O-N 2.65Å; T421-V433 WeakPolarHBondContact CA-O 3.34Å
422T95.7Very high95.2Very high33 Ų3351.6 Ų51.620%0.20229%0.293CS..THydrogen-bonded Turntrans-67.8-9.9173.362.20000113I424 A431 V433 I434 D435T422-I424 VanDerWaalsContact C-N 3.26Å; T422-A431 HydrophobicContact CG2-CB 3.91Å; T422-V433 PolarHBondContact N-O 2.85Å; T422-V433 PolarHBondContact OG1-O 2.81Å; T422-I434 HydrophobicContact CG2-CG2 3.96Å; T422-I434 WeakPolarHBondContact OG1-CA 3.45Å; T422-D435 PolarHBondContact OG1-N 3.46Å
423E93.3Very high95.3Very high38 Ų3849.1 Ų49.118%0.17828%0.28CS..THydrogen-bonded Turntrans-63.8-33.2169.1-173.4173.5-179.200112.1G374 T421 Y482G374-E423 PolarHBondContact N-OE1 2.85Å; T421-E423 HydrophobicContact CG2-CB 4.03Å; T421-E423 PolarHBondContact O-N 3.14Å; T421-E423 WeakPolarHBondContact OG1-CB 3.45Å; T421-E423 PolarHBondContact OG1-N 2.8Å; E423-Y482 HydrophobicContact CB-CD1 4.12Å; E423-Y482 HydrophobicContact CB-CD2 4.16Å; E423-Y482 HydrophobicContact CB-CE1 3.65Å; E423-Y482 HydrophobicContact CB-CE2 3.69Å; E423-Y482 HydrophobicContact CB-CG 4.38Å; E423-Y482 VanDerWaalsContact CB-CZ 3.42Å; E423-Y482 HydrophobicContact CG-CD2 4.33Å; E423-Y482 HydrophobicContact CG-CE1 4.39Å; E423-Y482 HydrophobicContact CG-CE2 3.6Å
424I92.3Very high95.4Very high53 Ų5345.4 Ų45.427%0.27227%0.265SS..THydrogen-bonded Turntrans-107.6-50.8-171.9-62.5176.6000110.6M378 T421 T422M378-I424 HydrophobicContact CB-CD1 3.45Å; M378-I424 VanDerWaalsContact CB-CD1 3.45Å; M378-I424 HydrophobicContact CG-CD1 3.37Å; M378-I424 HydrophobicContact SD-CD1 4.34Å; T421-I424 HydrophobicContact CG2-CB 3.97Å; T421-I424 HydrophobicContact CG2-CD1 3.66Å; T421-I424 HydrophobicContact CG2-CG1 3.64Å; T421-I424 PolarHBondContact O-N 3.5Å; T421-I424 VanDerWaalsContact O-N 3.09Å; T422-I424 VanDerWaalsContact C-N 3.26Å
425D93.8Very high95.4Very high50 Ų5046.8 Ų46.827%0.26727%0.273SS..  trans-127.194.2177.2-177.26.8000109.3N420 T421 N427 T428N420-D425 HydrophobicContact CB-CB 4.41Å; T421-D425 PolarHBondContact O-N 2.65Å; D425-N427 PolarHBondContact O-N 3.49Å; D425-N427 PolarHBondContact OD1-N 3.33Å; D425-T428 VanDerWaalsContact O-CG2 3.3Å; D425-T428 WeakPolarHBondContact O-CG2 3.43Å; D425-T428 PolarHBondContact OD1-N 3.15Å
426P94Very high95.4Very high86 Ų8646.6 Ų46.656%0.55826%0.26SS*.THydrogen-bonded Turntrans-69.2-12.8177.628.4-34.6000113.4
427N95.2Very high95.4Very high146 Ų14645.8 Ų45.878%0.78126%0.257SS*.THydrogen-bonded Turntrans-99.92.8-175.1-60.6-46.8000113.5D425D425-N427 PolarHBondContact O-N 3.49Å; D425-N427 PolarHBondContact OD1-N 3.33Å
428T95.4Very high95.2Very high12 Ų1239.6 Ų39.67%0.07423%0.23CC..  trans-55.7138.7175.31750000111.6D418 N420 D425 N430 A431D418-T428 PolarHBondContact O-OG1 2.93Å; D418-T428 PolarHBondContact OD2-OG1 3.15Å; N420-T428 HydrophobicContact CB-CG2 4.24Å; D425-T428 VanDerWaalsContact O-CG2 3.3Å; D425-T428 WeakPolarHBondContact O-CG2 3.43Å; D425-T428 PolarHBondContact OD1-N 3.15Å; T428-N430 PolarHBondContact O-N 3.03Å; T428-N430 PolarHBondContact OG1-N 3.39Å; T428-N430 VanDerWaalsContact OG1-N 3.13Å; T428-A431 HydrophobicContact CG2-CB 4.06Å
429A95.5Very high95.1Very high80 Ų8042.9 Ų42.966%0.66124%0.243SC*.SBendtrans-69.2-27.1173.900000111.4D418D418-A429 WeakPolarHBondContact OD2-CB 3.1Å; D418-A429 PolarHBondContact OD2-N 2.81Å
430N95.8Very high94.6Very high37 Ų3746.2 Ų46.220%0.19826%0.258CS..SBendtrans-110.966.7-178.7-63.6-80.6000110.8A419 N420 T428 L432 Y488A419-N430 WeakPolarHBondContact CA-O 3.48Å; A419-N430 HydrophobicContact CB-CB 4.02Å; N420-N430 PolarHBondContact N-O 3.29Å; T428-N430 PolarHBondContact O-N 3.03Å; T428-N430 PolarHBondContact OG1-N 3.39Å; T428-N430 VanDerWaalsContact OG1-N 3.13Å; N430-L432 PolarHBondContact O-N 2.93Å; N430-Y488 WeakPolarHBondContact CA-OH 3.43Å
431A96.4Very high94.2Very high22 Ų2252.7 Ų52.718%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-6680.3176.900000111.7T422 T428 I434 N485 Y488T422-A431 HydrophobicContact CG2-CB 3.91Å; T428-A431 HydrophobicContact CG2-CB 4.06Å; A431-I434 HydrophobicContact CB-CG2 3.97Å; A431-N485 WeakPolarHBondContact O-CB 3.5Å; A431-N485 PolarHBondContact O-ND2 3.34Å; A431-Y488 WeakPolarHBondContact O-CE2 3.32Å
432L96.7Very high93.8Very high2 Ų256.6 Ų56.61%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-77.8-34.3-171.5-174.464.1000112V406 I407 A410 A419 N420 N430 N485 Y488 L492V406-L432 HydrophobicContact CG1-CD1 4.38Å; V406-L432 HydrophobicContact CG1-CD2 3.67Å; V406-L432 HydrophobicContact CG1-CG 3.92Å; I407-L432 HydrophobicContact CG1-CD2 4.16Å; A410-L432 HydrophobicContact CB-CD2 3.45Å; A410-L432 VanDerWaalsContact CB-CD2 3.45Å; A419-L432 HydrophobicContact CB-CB 4.38Å; A419-L432 HydrophobicContact CB-CD2 4.2Å; N420-L432 PolarHBondContact O-N 2.92Å; N430-L432 PolarHBondContact O-N 2.93Å; L432-N485 WeakPolarHBondContact O-CB 3.46Å; L432-N485 PolarHBondContact O-N 3.05Å; L432-Y488 VanDerWaalsContact CD1-CB 3.43Å; L432-Y488 HydrophobicContact CD1-CD1 4.2Å; L432-Y488 HydrophobicContact CD1-CD2 4.07Å; L432-Y488 HydrophobicContact CD1-CG 3.65Å; L432-L492 HydrophobicContact CD1-CD1 4.35Å
433V97.5Very high93.3Very high0 Ų060.3 Ų60.30%035%0.354CS..EExtended strand (participates in β ladder)trans-122.4124.1174.5174.90000107.3Q403 I407 T421 T422 E483Q403-V433 HydrophobicContact CB-CG1 4.5Å; Q403-V433 HydrophobicContact CB-CG2 4.26Å; Q403-V433 HydrophobicContact CG-CG1 3.98Å; Q403-V433 HydrophobicContact CG-CG2 4.38Å; I407-V433 HydrophobicContact CG1-CG2 4.47Å; T421-V433 WeakPolarHBondContact CA-O 3.34Å; T422-V433 PolarHBondContact N-O 2.85Å; T422-V433 PolarHBondContact OG1-O 2.81Å; V433-E483 CarbonylContact C-O 3.59Å; V433-E483 WeakPolarHBondContact CA-O 3.38Å
434I97.4Very high92.8Very high39 Ų3966.8 Ų66.820%0.239%0.389CS..EExtended strand (participates in β ladder)trans-123.5154.3-171.458.8172.8000111.4T422 A431 M436 Y482 E483 N485T422-I434 HydrophobicContact CG2-CG2 3.96Å; T422-I434 WeakPolarHBondContact OG1-CA 3.45Å; A431-I434 HydrophobicContact CB-CG2 3.97Å; I434-M436 HydrophobicContact CD1-CE 4.02Å; I434-M436 HydrophobicContact CG1-CE 4.42Å; I434-M436 PolarHBondContact O-N 2.88Å; I434-Y482 WeakPolarHBondContact O-CA 3.35Å; I434-E483 PolarHBondContact N-O 2.77Å; I434-E483 PolarHBondContact O-N 3.4Å; I434-N485 HydrophobicContact CD1-CB 3.99Å; I434-N485 HydrophobicContact CG1-CB 4Å; I434-N485 HydrophobicContact CG2-CB 4.07Å
435D96.1Very high92.7Very high66 Ų6666.7 Ų66.735%0.35340%0.401SS..EExtended strand (participates in β ladder)trans-69.2114.9169.3-169.623.4000108.9T422 R481 Y482T422-D435 PolarHBondContact OG1-N 3.46Å; D435-R481 IonicContact OD1-NE 2.79Å; D435-R481 IonicContact OD2-NH2 3.15Å; D435-Y482 HydrophobicContact CB-CD1 4.01Å; D435-Y482 HydrophobicContact CB-CE1 3.76Å
436M95.4Very high92.5Very high42 Ų4265.8 Ų65.821%0.20740%0.403CS..  trans-129.469.3-180-169.6-172.9-64.400109.3I434 R481 E483 P486 R508I434-M436 HydrophobicContact CD1-CE 4.02Å; I434-M436 HydrophobicContact CG1-CE 4.42Å; I434-M436 PolarHBondContact O-N 2.88Å; M436-R481 PolarHBondContact N-O 3.4Å; M436-E483 HydrophobicContact CB-CB 3.97Å; M436-E483 HydrophobicContact CB-CG 3.82Å; M436-E483 HydrophobicContact CE-CB 4.39Å; M436-E483 HydrophobicContact SD-CB 4.35Å; M436-E483 HydrophobicContact SD-CG 4.33Å; M436-P486 HydrophobicContact CE-CG 4.1Å; M436-R508 HydrophobicContact SD-CG 4.07Å
437P94.2Very high92.3Very high22 Ų2262.8 Ų62.814%0.14338%0.383CS..  trans-67162.4-175.530.1-36.1000111.6H439 G446 T447P437-H439 PolarHBondContact O-ND1 3.26Å; P437-G446 VanDerWaalsContact CB-CA 3.47Å; P437-T447 WeakPolarHBondContact CB-O 3.49Å
438E92.4Very high92.2Very high7 Ų757.9 Ų57.93%0.03336%0.357CS..BIsolated β-bridgetrans-90.6141.3178.6-62.7-174.2145.700111.4H440 T447 R449 R453E438-H440 IonicContact OE2-CE1 3.94Å; E438-H440 PolarHBondContact OE2-CE1 3.5Å; E438-H440 IonicContact OE2-NE2 3.41Å; E438-H440 PolarHBondContact OE2-NE2 2.96Å; E438-T447 PolarHBondContact N-O 3.33Å; E438-T447 PolarHBondContact O-N 2.86Å; E438-T447 PolarHBondContact O-OG1 2.95Å; E438-R449 HydrophobicContact CG-CB 4.18Å; E438-R449 WeakPolarHBondContact OE1-CD 3.11Å; E438-R449 VanDerWaalsContact OE1-CG 3.3Å; E438-R449 WeakPolarHBondContact OE1-CG 3.5Å; E438-R449 IonicContact OE1-CZ 3.32Å; E438-R449 IonicContact OE1-NE 2.77Å; E438-R449 IonicContact OE1-NH1 3.34Å; E438-R449 PolarHBondContact OE1-NH1 2.68Å; E438-R449 WeakPolarHBondContact OE2-CA 3.47Å; E438-R453 IonicContact OE1-CZ 3.91Å; E438-R453 IonicContact OE1-NH1 2.74Å; E438-R453 PolarHBondContact OE1-NH1 2.69Å; E438-R453 IonicContact OE2-CZ 3.79Å; E438-R453 IonicContact OE2-NH1 3.53Å; E438-R453 PolarHBondContact OE2-NH1 3.09Å; E438-R453 IonicContact OE2-NH2 2.79Å; E438-R453 PolarHBondContact OE2-NH2 3.06Å
439H92.1Very high92.2Very high144 Ų14458 Ų5867%0.66736%0.355SS*.  trans-117.492.1179.2-63.186000107.8P437P437-H439 PolarHBondContact O-ND1 3.26Å
440H86.8Confident92.1Very high70 Ų7055.8 Ų55.832%0.32433%0.333SS..  trans-92.1141-179.9-61.5-58.2000111E438 G442 Q443 T447 R453E438-H440 IonicContact OE2-CE1 3.94Å; E438-H440 PolarHBondContact OE2-CE1 3.5Å; E438-H440 IonicContact OE2-NE2 3.41Å; E438-H440 PolarHBondContact OE2-NE2 2.96Å; H440-G442 PolarHBondContact O-N 2.84Å; H440-G442 VanDerWaalsContact O-N 3.16Å; H440-Q443 PolarHBondContact O-N 3.24Å; H440-T447 PolarHBondContact CD2-OG1 2.89Å; H440-R453 PolarHBondContact NE2-NH2 2.95Å
441T86.1Confident92.1Very high158 Ų15854.1 Ų54.197%0.96932%0.324SS*.THydrogen-bonded Turntrans-56.3122.1171.3-49.30000109.9
442G87.3Confident92Very high81 Ų8156.4 Ų56.484%0.83533%0.33SS*.THydrogen-bonded Turntrans96.3-10.2-17900000115.5H440H440-G442 PolarHBondContact O-N 2.84Å; H440-G442 VanDerWaalsContact O-N 3.16Å
443Q85.2Confident92Very high112 Ų11258.8 Ų58.852%0.52334%0.338SS..  trans-109.2135.2170.5-64.3-171-16.100109.9H440 T447H440-Q443 PolarHBondContact O-N 3.24Å; Q443-T447 HydrophobicContact CB-CG2 3.78Å
444L83.1Confident92Very high173 Ų17362.2 Ų62.291%0.90636%0.356SS*.  trans-95.7143.5179-63.3176.6000110.3
445G91Very high92Very high51 Ų5160.3 Ų60.353%0.52635%0.346SS..SBendtrans80.9-171.7-179.900000113.9
446G88.3Confident92.1Very high31 Ų3159.4 Ų59.432%0.3234%0.343SS..  trans-86.7107.5178.200000111.6P437P437-G446 VanDerWaalsContact CB-CA 3.47Å
447T90.2Very high92.2Very high23 Ų2358 Ų5814%0.14134%0.336CS..BIsolated β-bridgetrans-88.5153.9-177.666.20000111.1P437 E438 H440 Q443P437-T447 WeakPolarHBondContact CB-O 3.49Å; E438-T447 PolarHBondContact N-O 3.33Å; E438-T447 PolarHBondContact O-N 2.86Å; E438-T447 PolarHBondContact O-OG1 2.95Å; H440-T447 PolarHBondContact CD2-OG1 2.89Å; Q443-T447 HydrophobicContact CB-CG2 3.78Å
448M93Very high92.1Very high44 Ų4459.3 Ų59.322%0.21735%0.346CS..  trans-73141.6174.7-173.1-177.7-56.500110L450 R479 H480 R481M448-L450 HydrophobicContact CB-CD1 3.98Å; M448-L450 HydrophobicContact CB-CG 3.99Å; M448-L450 HydrophobicContact CG-CD1 4.31Å; M448-L450 HydrophobicContact CG-CD2 4.34Å; M448-L450 HydrophobicContact CG-CG 3.88Å; M448-L450 PolarHBondContact O-N 2.97Å; M448-L450 HydrophobicContact SD-CD1 4.21Å; M448-L450 HydrophobicContact SD-CD2 3.77Å; M448-L450 HydrophobicContact SD-CG 3.91Å; M448-R479 HydrophobicContact SD-CG 3.93Å; M448-H480 WeakPolarHBondContact CG-O 3.43Å; M448-R481 HydrophobicContact CB-CG 4.05Å; M448-R481 HydrophobicContact CE-CG 4.23Å; M448-R481 HydrophobicContact CG-CG 3.74Å
449R95.3Very high91.7Very high13 Ų1366.1 Ų66.15%0.04938%0.382CS..EExtended strand (participates in β ladder)trans-70.7100.8169.6-177168.9177.792.5-12.9109E438 R453 H478 R479 H480 E510E438-R449 HydrophobicContact CG-CB 4.18Å; E438-R449 WeakPolarHBondContact OE1-CD 3.11Å; E438-R449 VanDerWaalsContact OE1-CG 3.3Å; E438-R449 WeakPolarHBondContact OE1-CG 3.5Å; E438-R449 IonicContact OE1-CZ 3.32Å; E438-R449 IonicContact OE1-NE 2.77Å; E438-R449 IonicContact OE1-NH1 3.34Å; E438-R449 PolarHBondContact OE1-NH1 2.68Å; E438-R449 WeakPolarHBondContact OE2-CA 3.47Å; R449-R453 HydrophobicContact CG-CG 4.39Å; R449-H478 HydrophobicContact CG-CB 3.93Å; R449-H478 CarbonylContact O-C 3.58Å; R449-R479 PolarHBondContact O-N 2.74Å; R449-H480 WeakPolarHBondContact CB-O 3.45Å; R449-H480 PolarHBondContact N-O 2.97Å; R449-H480 PolarHBondContact O-N 3.41Å; R449-E510 IonicContact CZ-OE1 3.38Å; R449-E510 VanDerWaalsContact CZ-OE1 3.28Å; R449-E510 IonicContact NE-OE1 3.19Å; R449-E510 PolarHBondContact NE-OE1 3.15Å; R449-E510 IonicContact NH2-OE1 2.74Å; R449-E510 PolarHBondContact NH2-OE1 2.86Å
450L94.3Very high91.4Very high35 Ų3561.2 Ų61.218%0.18337%0.37CS..EExtended strand (participates in β ladder)trans-123.6149.8-174.1-78168.4000112.4E66 M448 R453 H478 R479E66-L450 HydrophobicContact CG-CD2 4.12Å; M448-L450 HydrophobicContact CB-CD1 3.98Å; M448-L450 HydrophobicContact CB-CG 3.99Å; M448-L450 HydrophobicContact CG-CD1 4.31Å; M448-L450 HydrophobicContact CG-CD2 4.34Å; M448-L450 HydrophobicContact CG-CG 3.88Å; M448-L450 PolarHBondContact O-N 2.97Å; M448-L450 HydrophobicContact SD-CD1 4.21Å; M448-L450 HydrophobicContact SD-CD2 3.77Å; M448-L450 HydrophobicContact SD-CG 3.91Å; L450-R453 PolarHBondContact O-NE 2.92Å; L450-R453 PolarHBondContact O-NH2 2.88Å; L450-H478 WeakPolarHBondContact CA-O 3.49Å; L450-R479 HydrophobicContact CD2-CB 4.2Å; L450-R479 HydrophobicContact CD2-CG 3.79Å
451G95Very high91.6Very high1 Ų162.6 Ų62.61%0.0139%0.386CS..EExtended strand (participates in β ladder)trans80.9-164.1172.700000113.7R453 R477 H478G451-R453 PolarHBondContact O-N 2.81Å; G451-R477 WeakPolarHBondContact O-CA 3.35Å; G451-H478 PolarHBondContact N-O 3.12Å; G451-H478 PolarHBondContact O-N 3.08Å
452K95Very high92Very high71 Ų7155.2 Ų55.231%0.30934%0.341SS..EExtended strand (participates in β ladder)trans-78.7118.1-174.3-166.8-176.8-146.5162.50111.3D62 Q475 E476D62-K452 HydrophobicContact CB-CB 4.24Å; D62-K452 HydrophobicContact CB-CD 4.41Å; D62-K452 VanDerWaalsContact O-CB 3.29Å; D62-K452 WeakPolarHBondContact O-CB 3.26Å; D62-K452 PolarHBondContact O-N 3.39Å; D62-K452 WeakPolarHBondContact OD2-CD 3.44Å; D62-K452 IonicContact OD2-NZ 3.78Å; D62-K452 PolarHBondContact OD2-NZ 2.76Å; K452-Q475 HydrophobicContact CD-CB 3.9Å; K452-Q475 VanDerWaalsContact CE-CB 3.41Å; K452-Q475 HydrophobicContact CG-CB 3.8Å; K452-E476 CarbonylContact C-O 3.08Å; K452-E476 WeakPolarHBondContact CA-O 3.48Å
453R96.1Very high92.4Very high51 Ų5152.8 Ų52.819%0.19231%0.309CS..EExtended strand (participates in β ladder)trans-119.9155177.3-52.9-56.8179.399.8-0.2110.8E438 H440 R449 L450 G451 Q475 E476E438-R453 IonicContact OE1-CZ 3.91Å; E438-R453 IonicContact OE1-NH1 2.74Å; E438-R453 PolarHBondContact OE1-NH1 2.69Å; E438-R453 IonicContact OE2-CZ 3.79Å; E438-R453 IonicContact OE2-NH1 3.53Å; E438-R453 PolarHBondContact OE2-NH1 3.09Å; E438-R453 IonicContact OE2-NH2 2.79Å; E438-R453 PolarHBondContact OE2-NH2 3.06Å; H440-R453 PolarHBondContact NE2-NH2 2.95Å; R449-R453 HydrophobicContact CG-CG 4.39Å; L450-R453 PolarHBondContact O-NE 2.92Å; L450-R453 PolarHBondContact O-NH2 2.88Å; G451-R453 PolarHBondContact O-N 2.81Å; R453-Q475 WeakPolarHBondContact O-CA 3.44Å; R453-E476 PolarHBondContact N-O 3.44Å; R453-E476 PolarHBondContact O-N 2.89Å
454I97.5Very high93Very high72 Ų7247.4 Ų47.437%0.36928%0.284SS..EExtended strand (participates in β ladder)trans-85.9123.1176.8-61.2171.4000108.1V456 V474 Q475 V504I454-V456 HydrophobicContact CG2-CG2 4.16Å; I454-V474 WeakPolarHBondContact CA-O 3.49Å; I454-Q475 HydrophobicContact CG1-CG 3.95Å; I454-V504 HydrophobicContact CB-CG2 3.97Å; I454-V504 HydrophobicContact CG2-CG2 4.14Å
455T97.8Very high93.6Very high0 Ų041.1 Ų41.10%025%0.248CC..EExtended strand (participates in β ladder)trans-104.1125.6166.6-56.10000108.4S473 V474 T502 E510 I511T455-S473 CarbonylContact O-C 3.51Å; T455-S473 WeakPolarHBondContact O-CA 3.4Å; T455-S473 WeakPolarHBondContact O-CB 3.33Å; T455-V474 PolarHBondContact N-O 3.03Å; T455-V474 PolarHBondContact O-N 3.42Å; T455-T502 CarbonylContact C-O 3.11Å; T455-T502 WeakPolarHBondContact CA-O 3.48Å; T455-E510 HydrophobicContact CG2-CB 3.65Å; T455-E510 HydrophobicContact CG2-CG 4.04Å; T455-I511 HydrophobicContact CG2-CD1 3.99Å; T455-I511 HydrophobicContact CG2-CG1 4.22Å
456V98.1Very high93.8Very high47 Ų4741.2 Ų41.229%0.28524%0.235SC..EExtended strand (participates in β ladder)trans-98.3128.2178.8-175.70000108.5I454 G501 T502I454-V456 HydrophobicContact CG2-CG2 4.16Å; V456-G501 WeakPolarHBondContact O-CA 3.5Å; V456-T502 PolarHBondContact N-O 3.21Å; V456-T502 PolarHBondContact O-N 3.08Å
457F97.7Very high94.1Very high11 Ų1140.4 Ų40.45%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-79.4145.2176.1-72.2-74.3000111I464 R465 Y468 P471 K472 V474 V500 I511F457-I464 HydrophobicContact CE1-CG2 3.74Å; F457-R465 HydrophobicContact CB-CG 4.34Å; F457-R465 HydrophobicContact CD1-CB 3.97Å; F457-R465 HydrophobicContact CD1-CG 4.3Å; F457-R465 HydrophobicContact CD2-CG 4.21Å; F457-R465 HydrophobicContact CE1-CB 4.17Å; F457-R465 HydrophobicContact CG-CB 4.22Å; F457-R465 HydrophobicContact CG-CG 4.03Å; F457-Y468 HydrophobicContact CE2-CD2 4.35Å; F457-Y468 AromaticContact CZ-CD2 3.72Å; F457-Y468 HydrophobicContact CZ-CD2 3.72Å; F457-Y468 HydrophobicContact CZ-CE2 4.16Å; F457-P471 HydrophobicContact CD2-CG 4.37Å; F457-P471 HydrophobicContact CE2-CG 4.06Å; F457-K472 PolarHBondContact N-O 3.15Å; F457-V474 HydrophobicContact CE2-CB 3.98Å; F457-V474 HydrophobicContact CE2-CG1 3.82Å; F457-V474 HydrophobicContact CZ-CB 4.48Å; F457-V474 HydrophobicContact CZ-CG1 3.96Å; F457-V500 WeakPolarHBondContact CA-O 2.98Å; F457-I511 HydrophobicContact CD1-CD1 4.28Å; F457-I511 HydrophobicContact CE1-CD1 3.47Å; F457-I511 VanDerWaalsContact CE1-CD1 3.47Å; F457-I511 HydrophobicContact CZ-CD1 4.01Å
458S91.8Very high94.3Very high51 Ų5141.3 Ų41.336%0.35723%0.225SC..PPolyproline II helixtrans-67152.5165.4-59.70000110.6G460 R465 F499 V500S458-G460 PolarHBondContact O-N 3.03Å; S458-G460 VanDerWaalsContact O-N 3.15Å; S458-R465 PolarHBondContact O-NH1 2.91Å; S458-F499 PolarHBondContact OG-O 3.08Å; S458-V500 PolarHBondContact N-O 3.04Å
459D84.5Confident94.4Very high150 Ų15041.9 Ų41.980%0.80224%0.242SC*.SBendtrans-67.3-17.2-174.5-74.9-42.8000114.2R465D459-R465 VanDerWaalsContact C-NH1 3.33Å; D459-R465 PolarHBondContact O-NH1 3.31Å
460G86Confident94.3Very high40 Ų4046 Ų4641%0.41227%0.265SS..SBendtrans-70.7172.6-17600000116S458 S462S458-G460 PolarHBondContact O-N 3.03Å; S458-G460 VanDerWaalsContact O-N 3.15Å; G460-S462 PolarHBondContact O-N 2.9Å
461P90.8Very high94.3Very high100 Ų10046.2 Ų46.265%0.64927%0.268SS*.  trans-70.3117.9176.429.2-33.5000110.6R498P461-R498 PolarHBondContact O-NH1 3.31Å; P461-R498 PolarHBondContact O-NH2 3.1Å
462S95Very high94.4Very high3 Ų354.2 Ų54.22%0.02130%0.303CS..  trans-129.2134.9177.6154.30000109.7G460 I464 R465 Q466 E513G460-S462 PolarHBondContact O-N 2.9Å; S462-I464 VanDerWaalsContact C-N 3.34Å; S462-I464 WeakPolarHBondContact OG-CG2 3.36Å; S462-I464 PolarHBondContact OG-N 2.56Å; S462-R465 PolarHBondContact OG-N 2.77Å; S462-Q466 WeakPolarHBondContact O-CG 3.46Å; S462-Q466 PolarHBondContact O-N 2.78Å; S462-Q466 PolarHBondContact O-NE2 3.33Å; S462-E513 WeakPolarHBondContact CA-OE1 3.47Å; S462-E513 WeakPolarHBondContact CA-OE2 3.03Å; S462-E513 WeakPolarHBondContact CB-OE1 2.93Å; S462-E513 PolarHBondContact OG-OE1 3.39Å
463V95.4Very high94.5Very high29 Ų2953.7 Ų53.718%0.17631%0.308CS..Hα-helixtrans-66.1-41.4175.963.40000110.2R465 Q466 L467 E513 Y519 V521 L551 I555V463-R465 PolarHBondContact O-N 3.2Å; V463-Q466 PolarHBondContact O-N 2.93Å; V463-L467 HydrophobicContact CG2-CD1 4.42Å; V463-L467 WeakPolarHBondContact O-CG 3.4Å; V463-L467 PolarHBondContact O-N 3.45Å; V463-L467 VanDerWaalsContact O-N 3.09Å; V463-E513 HydrophobicContact CG1-CG 4.36Å; V463-E513 WeakPolarHBondContact CG1-OE1 3.32Å; V463-E513 PolarHBondContact N-OE1 3.07Å; V463-E513 PolarHBondContact N-OE2 2.62Å; V463-Y519 HydrophobicContact CG1-CD2 4.44Å; V463-Y519 HydrophobicContact CG1-CE2 4.4Å; V463-V521 HydrophobicContact CG1-CG2 3.99Å; V463-L551 HydrophobicContact CG2-CD1 4.48Å; V463-L551 HydrophobicContact CG2-CD2 4.05Å; V463-I555 HydrophobicContact CG2-CD1 3.87Å
464I96.2Very high94.5Very high0 Ų052.1 Ų52.10%030%0.304CS..Hα-helixtrans-67.5-38.8-179.3-163.372.1000111.6F457 S462 Q466 L467 Y468 V500 I511 E513 V521 P539F457-I464 HydrophobicContact CE1-CG2 3.74Å; S462-I464 VanDerWaalsContact C-N 3.34Å; S462-I464 WeakPolarHBondContact OG-CG2 3.36Å; S462-I464 PolarHBondContact OG-N 2.56Å; I464-Q466 VanDerWaalsContact C-N 3.28Å; I464-Q466 PolarHBondContact O-N 2.92Å; I464-L467 HydrophobicContact CD1-CD1 4.23Å; I464-L467 WeakPolarHBondContact O-CB 3.32Å; I464-L467 PolarHBondContact O-N 2.86Å; I464-L467 VanDerWaalsContact O-N 3.12Å; I464-Y468 HydrophobicContact CD1-CE2 4.13Å; I464-Y468 HydrophobicContact CG1-CD2 3.97Å; I464-Y468 HydrophobicContact CG1-CE2 3.65Å; I464-Y468 VanDerWaalsContact O-CD2 3.26Å; I464-Y468 WeakPolarHBondContact O-CD2 3.48Å; I464-Y468 PolarHBondContact O-N 3.14Å; I464-Y468 VanDerWaalsContact O-N 3.09Å; I464-V500 HydrophobicContact CG2-CG2 4.02Å; I464-I511 HydrophobicContact CG2-CD1 4.3Å; I464-I511 HydrophobicContact CG2-CG2 3.81Å; I464-E513 WeakPolarHBondContact CG2-OE1 3.44Å; I464-E513 PolarHBondContact N-OE1 3.02Å; I464-V521 HydrophobicContact CD1-CG1 4.37Å; I464-P539 HydrophobicContact CD1-CB 3.83Å; I464-P539 HydrophobicContact CD1-CG 3.58Å; I464-P539 HydrophobicContact CG1-CG 4.47Å
465R96.5Very high94.5Very high40 Ų4053.2 Ų53.215%0.15131%0.308CS..Hα-helixtrans-61-39.6177.5-176.3178.2179.7-161.7-4.3111.2F457 S458 D459 S462 V463 Y468 G469 N470 P471F457-R465 HydrophobicContact CB-CG 4.34Å; F457-R465 HydrophobicContact CD1-CB 3.97Å; F457-R465 HydrophobicContact CD1-CG 4.3Å; F457-R465 HydrophobicContact CD2-CG 4.21Å; F457-R465 HydrophobicContact CE1-CB 4.17Å; F457-R465 HydrophobicContact CG-CB 4.22Å; F457-R465 HydrophobicContact CG-CG 4.03Å; S458-R465 PolarHBondContact O-NH1 2.91Å; D459-R465 VanDerWaalsContact C-NH1 3.33Å; D459-R465 PolarHBondContact O-NH1 3.31Å; S462-R465 PolarHBondContact OG-N 2.77Å; V463-R465 PolarHBondContact O-N 3.2Å; R465-Y468 PolarHBondContact O-N 2.99Å; R465-G469 PolarHBondContact O-N 2.83Å; R465-N470 WeakPolarHBondContact O-CA 2.88Å; R465-N470 PolarHBondContact O-N 3.18Å; R465-P471 PolarHBondContact NE-O 2.9Å; R465-P471 VanDerWaalsContact NE-O 3.07Å
466Q95.1Very high94.5Very high53 Ų5353.6 Ų53.625%0.24831%0.31CS..Hα-helixtrans-66.1-40.2175.6-69170.939.300111.9S462 V463 I464 Y468 G469 N470 C559S462-Q466 WeakPolarHBondContact O-CG 3.46Å; S462-Q466 PolarHBondContact O-N 2.78Å; S462-Q466 PolarHBondContact O-NE2 3.33Å; V463-Q466 PolarHBondContact O-N 2.93Å; I464-Q466 VanDerWaalsContact C-N 3.28Å; I464-Q466 PolarHBondContact O-N 2.92Å; Q466-Y468 VanDerWaalsContact C-N 3.28Å; Q466-Y468 PolarHBondContact O-N 3.41Å; Q466-G469 PolarHBondContact O-N 3.47Å; Q466-N470 WeakPolarHBondContact CA-OD1 3.44Å; Q466-N470 WeakPolarHBondContact CG-OD1 3.13Å; Q466-C559 PolarHBondContact O-SG 3.1Å
467L95.5Very high94.5Very high15 Ų1551.4 Ų51.48%0.07930%0.296CS..Hα-helixtrans-63.8-31.7176.9-67.4172.8000112.8V463 I464 G469 Y519 P538 L551 Y554V463-L467 HydrophobicContact CG2-CD1 4.42Å; V463-L467 WeakPolarHBondContact O-CG 3.4Å; V463-L467 PolarHBondContact O-N 3.45Å; V463-L467 VanDerWaalsContact O-N 3.09Å; I464-L467 HydrophobicContact CD1-CD1 4.23Å; I464-L467 WeakPolarHBondContact O-CB 3.32Å; I464-L467 PolarHBondContact O-N 2.86Å; I464-L467 VanDerWaalsContact O-N 3.12Å; L467-G469 VanDerWaalsContact C-N 3.26Å; L467-G469 PolarHBondContact O-N 3.23Å; L467-Y519 HydrophobicContact CD1-CE2 4.2Å; L467-P538 HydrophobicContact CB-CB 3.96Å; L467-L551 HydrophobicContact CD2-CD1 4.08Å; L467-Y554 HydrophobicContact CD2-CD1 3.91Å; L467-Y554 HydrophobicContact CD2-CE1 3.76Å
468Y94.8Very high94.5Very high42 Ų4250.9 Ų50.917%0.16529%0.294CS..THydrogen-bonded Turntrans-77.5-3.6170.8-76.9-73.9000114.3F457 I464 R465 Q466 V474 E476 Y525 P538 P539F457-Y468 HydrophobicContact CE2-CD2 4.35Å; F457-Y468 AromaticContact CZ-CD2 3.72Å; F457-Y468 HydrophobicContact CZ-CD2 3.72Å; F457-Y468 HydrophobicContact CZ-CE2 4.16Å; I464-Y468 HydrophobicContact CD1-CE2 4.13Å; I464-Y468 HydrophobicContact CG1-CD2 3.97Å; I464-Y468 HydrophobicContact CG1-CE2 3.65Å; I464-Y468 VanDerWaalsContact O-CD2 3.26Å; I464-Y468 WeakPolarHBondContact O-CD2 3.48Å; I464-Y468 PolarHBondContact O-N 3.14Å; I464-Y468 VanDerWaalsContact O-N 3.09Å; R465-Y468 PolarHBondContact O-N 2.99Å; Q466-Y468 VanDerWaalsContact C-N 3.28Å; Q466-Y468 PolarHBondContact O-N 3.41Å; Y468-V474 HydrophobicContact CD1-CG2 3.81Å; Y468-V474 HydrophobicContact CE1-CG2 3.67Å; Y468-V474 HydrophobicContact CG-CG2 4.41Å; Y468-E476 PolarHBondContact OH-OE1 3.33Å; Y468-Y525 PolarHBondContact OH-OH 3.04Å; Y468-P538 HydrophobicContact CD1-CB 4.07Å; Y468-P538 HydrophobicContact CD1-CG 3.6Å; Y468-P538 HydrophobicContact CD2-CB 4.39Å; Y468-P538 HydrophobicContact CE1-CB 3.98Å; Y468-P538 HydrophobicContact CE1-CG 3.53Å; Y468-P538 HydrophobicContact CE2-CB 4.33Å; Y468-P538 HydrophobicContact CG-CB 4.25Å; Y468-P538 HydrophobicContact CG-CG 4.24Å; Y468-P539 HydrophobicContact CE2-CG 4.48Å; Y468-P539 WeakPolarHBondContact OH-CD 3.16Å
469G93.5Very high94.6Very high56 Ų5649.8 Ų49.858%0.57728%0.282SS*.THydrogen-bonded Turntrans87.928.9-178.500000114.7R465 Q466 L467 P471R465-G469 PolarHBondContact O-N 2.83Å; Q466-G469 PolarHBondContact O-N 3.47Å; L467-G469 VanDerWaalsContact C-N 3.26Å; L467-G469 PolarHBondContact O-N 3.23Å; G469-P471 VanDerWaalsContact C-CD 3.46Å
470N93.4Very high95.1Very high100 Ų10042.8 Ų42.854%0.53524%0.244SC..SBendtrans59.740.8179.5-60.4-48.9000116.8R465 Q466R465-N470 WeakPolarHBondContact O-CA 2.88Å; R465-N470 PolarHBondContact O-N 3.18Å; Q466-N470 WeakPolarHBondContact CA-OD1 3.44Å; Q466-N470 WeakPolarHBondContact CG-OD1 3.13Å
471P95.5Very high95.5Very high39 Ų3945 Ų4525%0.25324%0.24SC..  trans-70.4167.4172.635-37.3000111.4F457 R465 G469 S473F457-P471 HydrophobicContact CD2-CG 4.37Å; F457-P471 HydrophobicContact CE2-CG 4.06Å; R465-P471 PolarHBondContact NE-O 2.9Å; R465-P471 VanDerWaalsContact NE-O 3.07Å; G469-P471 VanDerWaalsContact C-CD 3.46Å; P471-S473 WeakPolarHBondContact CB-O 3.49Å
472K96.3Very high95.8Very high169 Ų16942.3 Ų42.374%0.73522%0.217SC*.SBendtrans-81.7-29.2168.9-66-172.1177.6-174.20112.2F457F457-K472 PolarHBondContact N-O 3.15Å
473S96.9Very high95.9Very high59 Ų5942.2 Ų42.241%0.41322%0.217SC..EExtended strand (participates in β ladder)trans-148.1157178.9570000110.7T455 P471T455-S473 CarbonylContact O-C 3.51Å; T455-S473 WeakPolarHBondContact O-CA 3.4Å; T455-S473 WeakPolarHBondContact O-CB 3.33Å; P471-S473 WeakPolarHBondContact CB-O 3.49Å
474V97.4Very high96Very high19 Ų1940.9 Ų40.912%0.11521%0.208CC..EExtended strand (participates in β ladder)trans-128.4159.7173.568.10000109.2I454 T455 F457 Y468 E476I454-V474 WeakPolarHBondContact CA-O 3.49Å; T455-V474 PolarHBondContact N-O 3.03Å; T455-V474 PolarHBondContact O-N 3.42Å; F457-V474 HydrophobicContact CE2-CB 3.98Å; F457-V474 HydrophobicContact CE2-CG1 3.82Å; F457-V474 HydrophobicContact CZ-CB 4.48Å; F457-V474 HydrophobicContact CZ-CG1 3.96Å; Y468-V474 HydrophobicContact CD1-CG2 3.81Å; Y468-V474 HydrophobicContact CE1-CG2 3.67Å; Y468-V474 HydrophobicContact CG-CG2 4.41Å; V474-E476 HydrophobicContact CG2-CG 4.23Å
475Q97.1Very high96Very high95 Ų9542.1 Ų42.144%0.44422%0.215SC..EExtended strand (participates in β ladder)trans-120.4118.3174.4-70.4-178.4000109.4K452 R453 I454K452-Q475 HydrophobicContact CD-CB 3.9Å; K452-Q475 VanDerWaalsContact CE-CB 3.41Å; K452-Q475 HydrophobicContact CG-CB 3.8Å; R453-Q475 WeakPolarHBondContact O-CA 3.44Å; I454-Q475 HydrophobicContact CG1-CG 3.95Å
476E97.7Very high96Very high8 Ų843 Ų434%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-133.8164-177.8-75.4-68.7164.200110.3K452 R453 Y468 V474 H478 Y525 L530K452-E476 CarbonylContact C-O 3.08Å; K452-E476 WeakPolarHBondContact CA-O 3.48Å; R453-E476 PolarHBondContact N-O 3.44Å; R453-E476 PolarHBondContact O-N 2.89Å; Y468-E476 PolarHBondContact OH-OE1 3.33Å; V474-E476 HydrophobicContact CG2-CG 4.23Å; E476-H478 PolarHBondContact O-CD2 3.39Å; E476-Y525 HydrophobicContact CB-CD1 3.95Å; E476-Y525 HydrophobicContact CB-CD2 3.55Å; E476-Y525 HydrophobicContact CB-CE2 4.18Å; E476-Y525 HydrophobicContact CB-CG 3.43Å; E476-Y525 VanDerWaalsContact CB-CG 3.43Å; E476-Y525 HydrophobicContact CG-CD1 4.28Å; E476-Y525 HydrophobicContact CG-CD2 3.6Å; E476-Y525 HydrophobicContact CG-CE1 4.35Å; E476-Y525 HydrophobicContact CG-CE2 3.71Å; E476-Y525 HydrophobicContact CG-CG 3.91Å; E476-L530 WeakPolarHBondContact OE2-CD1 3.26Å
477R97.5Very high96Very high0 Ų048.4 Ų48.40%025%0.249CC..EExtended strand (participates in β ladder)trans-93.7134.8-175.8-63.7-174.6-175.7163.10.1111.5Y59 V60 D62 E75 G451 Y525 H526 Y529 L530Y59-R477 PolarHBondContact OH-NH1 3.4Å; V60-R477 HydrophobicContact CG1-CB 4.49Å; V60-R477 WeakPolarHBondContact O-CD 3.24Å; V60-R477 PolarHBondContact O-NE 3.13Å; V60-R477 PolarHBondContact O-NH1 3.44Å; D62-R477 IonicContact OD1-CZ 2.77Å; D62-R477 IonicContact OD1-NE 3.71Å; D62-R477 PolarHBondContact OD1-NE 3.44Å; D62-R477 IonicContact OD1-NH2 3.93Å; D62-R477 PolarHBondContact OD1-NH2 3.41Å; E75-R477 IonicContact OE1-CZ 3.64Å; E75-R477 IonicContact OE1-NH1 3.28Å; E75-R477 IonicContact OE1-NH2 2.93Å; E75-R477 PolarHBondContact OE1-NH2 3.2Å; E75-R477 IonicContact OE2-CZ 3.06Å; E75-R477 IonicContact OE2-NH1 3.71Å; E75-R477 PolarHBondContact OE2-NH1 3.15Å; E75-R477 IonicContact OE2-NH2 3.74Å; E75-R477 PolarHBondContact OE2-NH2 3.28Å; E75-R477 VanDerWaalsContact OE2-NH2 3.14Å; G451-R477 WeakPolarHBondContact O-CA 3.35Å; R477-Y525 WeakPolarHBondContact O-CA 3.43Å; R477-Y525 WeakPolarHBondContact O-CB 3.47Å; R477-H526 PolarHBondContact O-N 3.49Å; R477-Y529 HydrophobicContact CB-CD2 3.96Å; R477-L530 HydrophobicContact CG-CD2 4.45Å
478H97.2Very high96Very high0 Ų049 Ų490%025%0.25CS..EExtended strand (participates in β ladder)trans-112.7150.7-179.3-65.8-101.5000111.9R449 L450 G451 E476 H480 E510R449-H478 HydrophobicContact CG-CB 3.93Å; R449-H478 CarbonylContact O-C 3.58Å; L450-H478 WeakPolarHBondContact CA-O 3.49Å; G451-H478 PolarHBondContact N-O 3.12Å; G451-H478 PolarHBondContact O-N 3.08Å; E476-H478 PolarHBondContact O-CD2 3.39Å; H478-H480 AromaticContact CE1-NE2 3.98Å; H478-H480 AromaticContact CG-NE2 3.65Å; H478-H480 AromaticContact ND1-CD2 3.79Å; H478-H480 AromaticContact ND1-CE1 3.92Å; H478-H480 AromaticContact ND1-NE2 2.89Å; H478-H480 PolarHBondContact ND1-NE2 3.02Å; H478-E510 IonicContact CE1-OE1 2.93Å; H478-E510 IonicContact CE1-OE2 2.68Å; H478-E510 PolarHBondContact CE1-OE2 3.22Å; H478-E510 IonicContact ND1-OE2 2.75Å
479R95.2Very high96.1Very high29 Ų2947.7 Ų47.711%0.10925%0.246CC..EExtended strand (participates in β ladder)trans-152.972.3170.9-167.5-179.9-175.3-108.5-8110.9G48 V60 E66 F373 M448 R449 L450G48-R479 PolarHBondContact O-NH2 2.74Å; V60-R479 HydrophobicContact CG2-CB 4.01Å; V60-R479 HydrophobicContact CG2-CG 4.12Å; E66-R479 IonicContact OE1-CZ 3.36Å; E66-R479 IonicContact OE1-NE 3.38Å; E66-R479 PolarHBondContact OE1-NE 2.85Å; E66-R479 IonicContact OE1-NH2 3.85Å; E66-R479 PolarHBondContact OE1-NH2 3.42Å; F373-R479 VanDerWaalsContact CE2-NH1 3.32Å; M448-R479 HydrophobicContact SD-CG 3.93Å; R449-R479 PolarHBondContact O-N 2.74Å; L450-R479 HydrophobicContact CD2-CB 4.2Å; L450-R479 HydrophobicContact CD2-CG 3.79Å
480H94.7Very high96.1Very high2 Ų250.9 Ų50.91%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-153.8168.3179.557.6101.7000112.3M448 R449 H478 Y482 E483M448-H480 WeakPolarHBondContact CG-O 3.43Å; R449-H480 WeakPolarHBondContact CB-O 3.45Å; R449-H480 PolarHBondContact N-O 2.97Å; R449-H480 PolarHBondContact O-N 3.41Å; H478-H480 AromaticContact CE1-NE2 3.98Å; H478-H480 AromaticContact CG-NE2 3.65Å; H478-H480 AromaticContact ND1-CD2 3.79Å; H478-H480 AromaticContact ND1-CE1 3.92Å; H478-H480 AromaticContact ND1-NE2 2.89Å; H478-H480 PolarHBondContact ND1-NE2 3.02Å; H480-Y482 PolarHBondContact ND1-O 2.86Å; H480-E483 IonicContact CE1-OE1 2.68Å; H480-E483 PolarHBondContact CE1-OE1 3.15Å; H480-E483 IonicContact CE1-OE2 3.64Å; H480-E483 IonicContact ND1-OE1 3.26Å; H480-E483 PolarHBondContact ND1-OE1 3.25Å
481R93.9Very high96.2Very high88 Ų8849 Ų4933%0.33224%0.236SC..SBendtrans-121.5-30.3177.1-63.3-17760.4134.41.8113.3D435 M436 M448D435-R481 IonicContact OD1-NE 2.79Å; D435-R481 IonicContact OD2-NH2 3.15Å; M436-R481 PolarHBondContact N-O 3.4Å; M448-R481 HydrophobicContact CB-CG 4.05Å; M448-R481 HydrophobicContact CE-CG 4.23Å; M448-R481 HydrophobicContact CG-CG 3.74Å
482Y96.2Very high96.3Very high43 Ų4347.2 Ų47.217%0.16922%0.224CC..EExtended strand (participates in β ladder)trans-92.4141.9-174-61.7-86.5000111.5E423 I434 D435 H480 Q524E423-Y482 HydrophobicContact CB-CD1 4.12Å; E423-Y482 HydrophobicContact CB-CD2 4.16Å; E423-Y482 HydrophobicContact CB-CE1 3.65Å; E423-Y482 HydrophobicContact CB-CE2 3.69Å; E423-Y482 HydrophobicContact CB-CG 4.38Å; E423-Y482 VanDerWaalsContact CB-CZ 3.42Å; E423-Y482 HydrophobicContact CG-CD2 4.33Å; E423-Y482 HydrophobicContact CG-CE1 4.39Å; E423-Y482 HydrophobicContact CG-CE2 3.6Å; I434-Y482 WeakPolarHBondContact O-CA 3.35Å; D435-Y482 HydrophobicContact CB-CD1 4.01Å; D435-Y482 HydrophobicContact CB-CE1 3.76Å; H480-Y482 PolarHBondContact ND1-O 2.86Å; Y482-Q524 PolarHBondContact O-NE2 3.21Å
483E97.3Very high96.2Very high1 Ų143.4 Ų43.41%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-130.8154.5-178.3-60.5-63.3175.500111.1V433 I434 M436 H480 N485 R508 Q524V433-E483 CarbonylContact C-O 3.59Å; V433-E483 WeakPolarHBondContact CA-O 3.38Å; I434-E483 PolarHBondContact N-O 2.77Å; I434-E483 PolarHBondContact O-N 3.4Å; M436-E483 HydrophobicContact CB-CB 3.97Å; M436-E483 HydrophobicContact CB-CG 3.82Å; M436-E483 HydrophobicContact CE-CB 4.39Å; M436-E483 HydrophobicContact SD-CB 4.35Å; M436-E483 HydrophobicContact SD-CG 4.33Å; H480-E483 IonicContact CE1-OE1 2.68Å; H480-E483 PolarHBondContact CE1-OE1 3.15Å; H480-E483 IonicContact CE1-OE2 3.64Å; H480-E483 IonicContact ND1-OE1 3.26Å; H480-E483 PolarHBondContact ND1-OE1 3.25Å; E483-N485 PolarHBondContact O-N 3.16Å; E483-R508 HydrophobicContact CG-CG 4Å; E483-R508 WeakPolarHBondContact OE1-CD 3.41Å; E483-R508 IonicContact OE1-NE 3.68Å; E483-Q524 PolarHBondContact OE2-NE2 2.91Å; E483-Q524 VanDerWaalsContact OE2-NE2 3.15Å
484V97.4Very high96.1Very high0 Ų046.2 Ų46.20%022%0.215CC..EExtended strand (participates in β ladder)trans-63.9127.4170.1-179.70000108.5L402 V406 P486 V489 L492 F499 M509L402-V484 HydrophobicContact CD2-CG2 3.8Å; V406-V484 HydrophobicContact CG1-CG1 4.39Å; V406-V484 HydrophobicContact CG1-CG2 4.4Å; V406-V484 HydrophobicContact CG2-CG2 4.25Å; V484-P486 VanDerWaalsContact O-CD 3.25Å; V484-P486 WeakPolarHBondContact O-CD 3.32Å; V484-V489 HydrophobicContact CG1-CG2 4.22Å; V484-L492 HydrophobicContact CG1-CD1 4.45Å; V484-F499 HydrophobicContact CG1-CE1 4.47Å; V484-F499 HydrophobicContact CG1-CZ 4.24Å; V484-M509 HydrophobicContact CB-CB 4.44Å
485N97.2Very high95.9Very high27 Ų2750.5 Ų50.514%0.14423%0.234CC..  trans-66117.2-179.7-177.6-13.9000109.9A431 L432 I434 E483 K487 Y488A431-N485 WeakPolarHBondContact O-CB 3.5Å; A431-N485 PolarHBondContact O-ND2 3.34Å; L432-N485 WeakPolarHBondContact O-CB 3.46Å; L432-N485 PolarHBondContact O-N 3.05Å; I434-N485 HydrophobicContact CD1-CB 3.99Å; I434-N485 HydrophobicContact CG1-CB 4Å; I434-N485 HydrophobicContact CG2-CB 4.07Å; E483-N485 PolarHBondContact O-N 3.16Å; N485-K487 PolarHBondContact O-N 3.34Å; N485-K487 WeakPolarHBondContact OD1-CB 3.4Å; N485-K487 PolarHBondContact OD1-N 2.86Å; N485-Y488 HydrophobicContact CB-CD2 3.95Å; N485-Y488 HydrophobicContact CB-CE2 4.44Å; N485-Y488 PolarHBondContact O-N 2.82Å
486P96.2Very high95.8Very high58 Ų5846.8 Ų46.838%0.37722%0.221SC..G310 helixtrans-55.4-25-175.6-29.338.1000114.1M436 V484 Y488 V489 T507M436-P486 HydrophobicContact CE-CG 4.1Å; V484-P486 VanDerWaalsContact O-CD 3.25Å; V484-P486 WeakPolarHBondContact O-CD 3.32Å; P486-Y488 PolarHBondContact O-N 2.75Å; P486-V489 WeakPolarHBondContact O-CB 3.22Å; P486-V489 PolarHBondContact O-N 2.91Å; P486-T507 VanDerWaalsContact CG-O 3.32Å; P486-T507 WeakPolarHBondContact CG-O 3.39Å
487K95.9Very high95.7Very high166 Ų16646.4 Ų46.472%0.72222%0.219SC*.G310 helixtrans-58-31.6177-174.8-178.8175-172.80113.4N485N485-K487 PolarHBondContact O-N 3.34Å; N485-K487 WeakPolarHBondContact OD1-CB 3.4Å; N485-K487 PolarHBondContact OD1-N 2.86Å
488Y95.8Very high95.6Very high29 Ų2950.4 Ų50.411%0.11423%0.234CC..G310 helixtrans-98.9-6.3-175.6-65.2-85.4000113.7N430 A431 L432 N485 P486 H490 L491 L492N430-Y488 WeakPolarHBondContact CA-OH 3.43Å; A431-Y488 WeakPolarHBondContact O-CE2 3.32Å; L432-Y488 VanDerWaalsContact CD1-CB 3.43Å; L432-Y488 HydrophobicContact CD1-CD1 4.2Å; L432-Y488 HydrophobicContact CD1-CD2 4.07Å; L432-Y488 HydrophobicContact CD1-CG 3.65Å; N485-Y488 HydrophobicContact CB-CD2 3.95Å; N485-Y488 HydrophobicContact CB-CE2 4.44Å; N485-Y488 PolarHBondContact O-N 2.82Å; P486-Y488 PolarHBondContact O-N 2.75Å; Y488-H490 PolarHBondContact O-N 3.41Å; Y488-L491 PolarHBondContact O-N 3.33Å; Y488-L492 PolarHBondContact O-N 2.74Å
489V95.5Very high95.6Very high14 Ų1450.7 Ų50.79%0.08524%0.236CC..Hα-helixtrans-57.9-48.3-174.7166.10000111.7V484 P486 L491 L492 E493 F499 M509V484-V489 HydrophobicContact CG1-CG2 4.22Å; P486-V489 WeakPolarHBondContact O-CB 3.22Å; P486-V489 PolarHBondContact O-N 2.91Å; V489-L491 VanDerWaalsContact C-N 3.29Å; V489-L491 PolarHBondContact O-N 2.93Å; V489-L492 WeakPolarHBondContact O-CB 3.14Å; V489-L492 PolarHBondContact O-N 3.43Å; V489-L492 VanDerWaalsContact O-N 3.1Å; V489-E493 HydrophobicContact CG1-CG 4.43Å; V489-E493 WeakPolarHBondContact O-CG 3.36Å; V489-E493 PolarHBondContact O-N 2.76Å; V489-F499 HydrophobicContact CB-CE2 4.12Å; V489-F499 HydrophobicContact CG1-CD2 3.61Å; V489-F499 HydrophobicContact CG1-CE2 3.69Å; V489-F499 HydrophobicContact CG1-CG 4.44Å; V489-F499 HydrophobicContact CG2-CE2 4.14Å; V489-F499 HydrophobicContact CG2-CZ 4.25Å; V489-M509 HydrophobicContact CG1-CE 4.09Å; V489-M509 HydrophobicContact CG1-SD 4.36Å; V489-M509 HydrophobicContact CG2-CE 4.18Å; V489-M509 HydrophobicContact CG2-CG 3.78Å
490H94.6Very high95.7Very high122 Ų12249.9 Ų49.957%0.56523%0.234SC*.Hα-helixtrans-55.4-44.3179.6-175.5-86.1000112.5Y488 L492 E493 E494Y488-H490 PolarHBondContact O-N 3.41Å; H490-L492 VanDerWaalsContact C-N 3.3Å; H490-L492 PolarHBondContact O-N 2.72Å; H490-E493 PolarHBondContact O-N 3.3Å; H490-E494 IonicContact CE1-OE1 3.19Å; H490-E494 PolarHBondContact CE1-OE1 3.04Å; H490-E494 IonicContact CE1-OE2 3.46Å; H490-E494 IonicContact ND1-OE1 2.96Å; H490-E494 PolarHBondContact ND1-OE1 3.08Å; H490-E494 IonicContact ND1-OE2 3.66Å; H490-E494 PolarHBondContact ND1-OE2 2.84Å; H490-E494 IonicContact NE2-OE1 3.46Å; H490-E494 WeakPolarHBondContact O-CG 3.46Å; H490-E494 PolarHBondContact O-N 2.81Å; H490-E494 VanDerWaalsContact O-N 3.09Å
491L95.5Very high95.8Very high62 Ų6249.8 Ų49.833%0.32523%0.233SC..Hα-helixtrans-64.6-34.7-179.1-175.866.1000112.3L414 L416 Y488 V489L414-L491 HydrophobicContact CD1-CD2 3.76Å; L414-L491 HydrophobicContact CD1-CG 3.65Å; L414-L491 HydrophobicContact CD2-CD1 3.79Å; L414-L491 HydrophobicContact CD2-CD2 4.17Å; L414-L491 HydrophobicContact CD2-CG 3.63Å; L414-L491 HydrophobicContact CG-CD2 4.46Å; L414-L491 HydrophobicContact CG-CG 4.26Å; L416-L491 HydrophobicContact CD1-CD2 3.93Å; Y488-L491 PolarHBondContact O-N 3.33Å; V489-L491 VanDerWaalsContact C-N 3.29Å; V489-L491 PolarHBondContact O-N 2.93Å
492L96.1Very high96Very high1 Ų146.3 Ų46.31%0.00522%0.222CC..Hα-helixtrans-72-42.4176.9-67168000111.5V406 F409 A410 L414 L432 V484 Y488 V489 H490 Q495 G496 M497 F499V406-L492 HydrophobicContact CG1-CD1 3.72Å; F409-L492 HydrophobicContact CD1-CD2 3.69Å; F409-L492 HydrophobicContact CE1-CD2 4.3Å; A410-L492 HydrophobicContact CB-CD2 4.49Å; L414-L492 HydrophobicContact CD1-CD2 3.74Å; L414-L492 HydrophobicContact CD1-CG 4.41Å; L432-L492 HydrophobicContact CD1-CD1 4.35Å; V484-L492 HydrophobicContact CG1-CD1 4.45Å; Y488-L492 PolarHBondContact O-N 2.74Å; V489-L492 WeakPolarHBondContact O-CB 3.14Å; V489-L492 PolarHBondContact O-N 3.43Å; V489-L492 VanDerWaalsContact O-N 3.1Å; H490-L492 VanDerWaalsContact C-N 3.3Å; H490-L492 PolarHBondContact O-N 2.72Å; L492-Q495 PolarHBondContact O-N 2.83Å; L492-G496 PolarHBondContact O-N 2.83Å; L492-M497 CarbonylContact C-O 3.41Å; L492-M497 HydrophobicContact CB-CB 4.34Å; L492-M497 PolarHBondContact O-N 2.83Å; L492-M497 VanDerWaalsContact O-N 3.16Å; L492-F499 HydrophobicContact CB-CE2 3.95Å; L492-F499 HydrophobicContact CB-CZ 4.33Å; L492-F499 HydrophobicContact CD1-CE2 4.08Å; L492-F499 HydrophobicContact CD1-CZ 3.67Å
493E94.9Very high96Very high88 Ų8844.5 Ų44.541%0.41122%0.215SC..Hα-helixtrans-64.3-40.5179.8-69.1-170.9140.100112.4V489 H490 Q495 G496 M497 F499V489-E493 HydrophobicContact CG1-CG 4.43Å; V489-E493 WeakPolarHBondContact O-CG 3.36Å; V489-E493 PolarHBondContact O-N 2.76Å; H490-E493 PolarHBondContact O-N 3.3Å; E493-Q495 PolarHBondContact O-N 2.94Å; E493-G496 PolarHBondContact O-N 3.43Å; E493-M497 WeakPolarHBondContact CA-O 3.35Å; E493-M497 PolarHBondContact N-O 2.79Å; E493-F499 HydrophobicContact CG-CD2 3.57Å; E493-F499 HydrophobicContact CG-CE2 4.05Å
494E94.5Very high95.9Very high119 Ų11948.8 Ų48.856%0.55624%0.241SC*.Hα-helixtrans-58.2-29177.3-76178.8141.200113.3H490H490-E494 IonicContact CE1-OE1 3.19Å; H490-E494 PolarHBondContact CE1-OE1 3.04Å; H490-E494 IonicContact CE1-OE2 3.46Å; H490-E494 IonicContact ND1-OE1 2.96Å; H490-E494 PolarHBondContact ND1-OE1 3.08Å; H490-E494 IonicContact ND1-OE2 3.66Å; H490-E494 PolarHBondContact ND1-OE2 2.84Å; H490-E494 IonicContact NE2-OE1 3.46Å; H490-E494 WeakPolarHBondContact O-CG 3.46Å; H490-E494 PolarHBondContact O-N 2.81Å; H490-E494 VanDerWaalsContact O-N 3.09Å
495Q94Very high95.8Very high109 Ų10954.5 Ų54.551%0.50927%0.272SS..THydrogen-bonded Turntrans-94.85.3178.3-62.6-57.2-4500113.7F409 L414 L492 E493F409-Q495 HydrophobicContact CE1-CB 3.76Å; F409-Q495 HydrophobicContact CZ-CB 3.74Å; L414-Q495 HydrophobicContact CD2-CB 4.44Å; L414-Q495 HydrophobicContact CD2-CG 3.39Å; L414-Q495 HydrophobicContact CG-CG 4.29Å; L492-Q495 PolarHBondContact O-N 2.83Å; E493-Q495 PolarHBondContact O-N 2.94Å
496G94Very high95.6Very high16 Ų1660.5 Ų60.517%0.16530%0.297CS..THydrogen-bonded Turntrans99.12.4172.700000115.9L492 E493 R498 S515L492-G496 PolarHBondContact O-N 2.83Å; E493-G496 PolarHBondContact O-N 3.43Å; G496-R498 PolarHBondContact O-N 3.27Å; G496-S515 WeakPolarHBondContact O-CB 3.35Å; G496-S515 PolarHBondContact O-N 3.26Å; G496-S515 PolarHBondContact O-OG 2.82Å
497M96.4Very high95.5Very high0 Ų060.5 Ų60.50%030%0.296CS..EExtended strand (participates in β ladder)trans-84.396.8169.2-175.271.87900109.1F409 L492 E493 I512 L514 F520F409-M497 HydrophobicContact CB-CE 3.64Å; F409-M497 HydrophobicContact CD1-CB 4Å; F409-M497 HydrophobicContact CD1-CE 4.2Å; F409-M497 HydrophobicContact CD2-CE 3.6Å; F409-M497 HydrophobicContact CE1-CB 3.72Å; F409-M497 HydrophobicContact CE2-CB 4.43Å; F409-M497 HydrophobicContact CE2-CE 4.27Å; F409-M497 HydrophobicContact CG-CB 4.45Å; F409-M497 HydrophobicContact CG-CE 3.55Å; F409-M497 HydrophobicContact CZ-CB 3.96Å; L492-M497 CarbonylContact C-O 3.41Å; L492-M497 HydrophobicContact CB-CB 4.34Å; L492-M497 PolarHBondContact O-N 2.83Å; L492-M497 VanDerWaalsContact O-N 3.16Å; E493-M497 WeakPolarHBondContact CA-O 3.35Å; E493-M497 PolarHBondContact N-O 2.79Å; M497-I512 HydrophobicContact CE-CD1 4.37Å; M497-I512 HydrophobicContact CG-CB 4.49Å; M497-I512 HydrophobicContact SD-CB 4.03Å; M497-I512 HydrophobicContact SD-CD1 3.83Å; M497-I512 HydrophobicContact SD-CG1 4.23Å; M497-L514 HydrophobicContact CB-CD1 4.45Å; M497-L514 HydrophobicContact CE-CD1 4.24Å; M497-L514 HydrophobicContact SD-CB 4.36Å; M497-L514 HydrophobicContact SD-CD1 4.32Å; M497-F520 HydrophobicContact CE-CE1 3.98Å; M497-F520 HydrophobicContact SD-CE1 4.46Å
498R95.9Very high95.6Very high84 Ų8453.9 Ų53.932%0.31727%0.266SS..EExtended strand (participates in β ladder)trans-90.8136-170.7-55.5179.9-59164.810.1110.8P461 G496 V500 I512 E513 S515P461-R498 PolarHBondContact O-NH1 3.31Å; P461-R498 PolarHBondContact O-NH2 3.1Å; G496-R498 PolarHBondContact O-N 3.27Å; R498-V500 HydrophobicContact CB-CG1 4.2Å; R498-V500 PolarHBondContact O-N 3.49Å; R498-I512 WeakPolarHBondContact O-CA 3.17Å; R498-E513 PolarHBondContact N-O 3.49Å; R498-E513 IonicContact NH2-OE2 2.69Å; R498-E513 PolarHBondContact NH2-OE2 2.87Å; R498-E513 PolarHBondContact O-N 2.92Å; R498-S515 WeakPolarHBondContact CD-OG 3.17Å; R498-S515 PolarHBondContact NE-OG 3.19Å
499F96.7Very high95.7Very high7 Ų753.4 Ų53.43%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-91.3101.7170.4-62.9-81.7000110S458 V484 V489 L492 E493 M509 I511 I512S458-F499 PolarHBondContact OG-O 3.08Å; V484-F499 HydrophobicContact CG1-CE1 4.47Å; V484-F499 HydrophobicContact CG1-CZ 4.24Å; V489-F499 HydrophobicContact CB-CE2 4.12Å; V489-F499 HydrophobicContact CG1-CD2 3.61Å; V489-F499 HydrophobicContact CG1-CE2 3.69Å; V489-F499 HydrophobicContact CG1-CG 4.44Å; V489-F499 HydrophobicContact CG2-CE2 4.14Å; V489-F499 HydrophobicContact CG2-CZ 4.25Å; L492-F499 HydrophobicContact CB-CE2 3.95Å; L492-F499 HydrophobicContact CB-CZ 4.33Å; L492-F499 HydrophobicContact CD1-CE2 4.08Å; L492-F499 HydrophobicContact CD1-CZ 3.67Å; E493-F499 HydrophobicContact CG-CD2 3.57Å; E493-F499 HydrophobicContact CG-CE2 4.05Å; F499-M509 HydrophobicContact CB-CG 4.43Å; F499-M509 HydrophobicContact CB-SD 3.71Å; F499-M509 HydrophobicContact CD1-CB 3.37Å; F499-M509 HydrophobicContact CD1-CG 3.62Å; F499-M509 HydrophobicContact CD1-SD 4.05Å; F499-M509 HydrophobicContact CD2-SD 4.49Å; F499-M509 HydrophobicContact CE1-CB 3.61Å; F499-M509 HydrophobicContact CE1-CG 3.86Å; F499-M509 HydrophobicContact CG-CB 4.15Å; F499-M509 HydrophobicContact CG-CG 3.94Å; F499-M509 HydrophobicContact CG-SD 3.83Å; F499-M509 HydrophobicContact CZ-CG 4.43Å; F499-I511 WeakPolarHBondContact CA-O 3.33Å; F499-I512 HydrophobicContact CD1-CG2 3.42Å; F499-I512 VanDerWaalsContact CD1-CG2 3.42Å; F499-I512 HydrophobicContact CE1-CG2 3.37Å; F499-I512 HydrophobicContact CG-CG2 4.44Å; F499-I512 HydrophobicContact CZ-CG2 4.33Å
500V97.2Very high95.8Very high11 Ų1152.7 Ų52.77%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-94.4-11.5-172.6-59.40000113.3F457 S458 I464 R498 I511 E513F457-V500 WeakPolarHBondContact CA-O 2.98Å; S458-V500 PolarHBondContact N-O 3.04Å; I464-V500 HydrophobicContact CG2-CG2 4.02Å; R498-V500 HydrophobicContact CB-CG1 4.2Å; R498-V500 PolarHBondContact O-N 3.49Å; V500-I511 HydrophobicContact CG2-CB 3.9Å; V500-I511 HydrophobicContact CG2-CG2 3.52Å; V500-I511 PolarHBondContact N-O 3.48Å; V500-E513 HydrophobicContact CG1-CB 4.11Å; V500-E513 HydrophobicContact CG1-CG 4.08Å; V500-E513 HydrophobicContact CG2-CG 3.82Å
501G97Very high95.9Very high0 Ų046.9 Ų46.90%023%0.234CC..EExtended strand (participates in β ladder)trans-139.8134.5175.200000111.4V456 E510 I511V456-G501 WeakPolarHBondContact O-CA 3.5Å; G501-E510 PolarHBondContact O-N 2.75Å; G501-I511 PolarHBondContact O-N 3.48Å
502T97.4Very high96Very high16 Ų1644 Ų4410%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-126.6167.7178.468.30000111.1T455 V456 R508 M509T455-T502 CarbonylContact C-O 3.11Å; T455-T502 WeakPolarHBondContact CA-O 3.48Å; V456-T502 PolarHBondContact N-O 3.21Å; V456-T502 PolarHBondContact O-N 3.08Å; T502-R508 CarbonylContact C-O 3.58Å; T502-R508 VanDerWaalsContact CA-O 3.27Å; T502-R508 WeakPolarHBondContact CA-O 3.35Å; T502-R508 WeakPolarHBondContact CB-O 3.29Å; T502-M509 HydrophobicContact CG2-CE 4.3Å; T502-M509 HydrophobicContact CG2-SD 3.71Å
503D96.2Very high96.1Very high4 Ų444.3 Ų44.32%0.02122%0.22CC..  trans-69.3175.9164.572.9-16.6000111.8D505 K506 T507 R508D503-D505 VanDerWaalsContact C-N 3.27Å; D503-D505 PolarHBondContact O-N 3Å; D503-K506 PolarHBondContact O-N 2.97Å; D503-K506 WeakPolarHBondContact OD1-CA 3.47Å; D503-K506 PolarHBondContact OD1-N 2.95Å; D503-T507 PolarHBondContact OD1-N 3.33Å; D503-T507 PolarHBondContact OD2-OG1 2.58Å; D503-R508 HydrophobicContact CB-CB 4.09Å; D503-R508 PolarHBondContact N-O 3.47Å; D503-R508 PolarHBondContact OD1-N 2.93Å; D503-R508 WeakPolarHBondContact OD2-CG 3.4Å; D503-R508 IonicContact OD2-NH1 3.01Å; D503-R508 PolarHBondContact OD2-NH1 3.31Å
504V95.6Very high96.2Very high92 Ų9241.1 Ų41.156%0.55821%0.206SC*.THydrogen-bonded Turntrans-60.6-38.8-178.4177.30000111.7I454 K506I454-V504 HydrophobicContact CB-CG2 3.97Å; I454-V504 HydrophobicContact CG2-CG2 4.14Å; V504-K506 VanDerWaalsContact C-N 3.26Å; V504-K506 PolarHBondContact O-N 3.45Å
505D94.5Very high96.3Very high119 Ų11938.1 Ų38.164%0.63620%0.198SC*.THydrogen-bonded Turntrans-82.8-4.2-178.2-58.2-36.5000112.8D503 T507D503-D505 VanDerWaalsContact C-N 3.27Å; D503-D505 PolarHBondContact O-N 3Å; D505-T507 HydrophobicContact CB-CG2 4.14Å; D505-T507 PolarHBondContact O-N 3.01Å
506K94.1Very high96.3Very high154 Ų15436.8 Ų36.867%0.6721%0.214SC*.SBendtrans56.830.3-176.5-53.7-176.4178.6-1770113.6D503 V504D503-K506 PolarHBondContact O-N 2.97Å; D503-K506 WeakPolarHBondContact OD1-CA 3.47Å; D503-K506 PolarHBondContact OD1-N 2.95Å; V504-K506 VanDerWaalsContact C-N 3.26Å; V504-K506 PolarHBondContact O-N 3.45Å
507T94.9Very high96.4Very high58 Ų5837.2 Ų37.236%0.35621%0.211SC..  trans-100.9-29.5178.161.40000111.7P486 D503 D505P486-T507 VanDerWaalsContact CG-O 3.32Å; P486-T507 WeakPolarHBondContact CG-O 3.39Å; D503-T507 PolarHBondContact OD1-N 3.33Å; D503-T507 PolarHBondContact OD2-OG1 2.58Å; D505-T507 HydrophobicContact CB-CG2 4.14Å; D505-T507 PolarHBondContact O-N 3.01Å
508R96.9Very high96.3Very high27 Ų2740.5 Ų40.510%0.10223%0.233CC..SBendtrans-108.8136.3-179.9-59.5176.8178.785.91110.3M436 E483 T502 D503M436-R508 HydrophobicContact SD-CG 4.07Å; E483-R508 HydrophobicContact CG-CG 4Å; E483-R508 WeakPolarHBondContact OE1-CD 3.41Å; E483-R508 IonicContact OE1-NE 3.68Å; T502-R508 CarbonylContact C-O 3.58Å; T502-R508 VanDerWaalsContact CA-O 3.27Å; T502-R508 WeakPolarHBondContact CA-O 3.35Å; T502-R508 WeakPolarHBondContact CB-O 3.29Å; D503-R508 HydrophobicContact CB-CB 4.09Å; D503-R508 PolarHBondContact N-O 3.47Å; D503-R508 PolarHBondContact OD1-N 2.93Å; D503-R508 WeakPolarHBondContact OD2-CG 3.4Å; D503-R508 IonicContact OD2-NH1 3.01Å; D503-R508 PolarHBondContact OD2-NH1 3.31Å
509M97.3Very high96.4Very high18 Ų1836.6 Ų36.69%0.08922%0.218CC..EExtended strand (participates in β ladder)trans-98.3114-179.9-62.5-55.2148.400109.5V484 V489 F499 T502V484-M509 HydrophobicContact CB-CB 4.44Å; V489-M509 HydrophobicContact CG1-CE 4.09Å; V489-M509 HydrophobicContact CG1-SD 4.36Å; V489-M509 HydrophobicContact CG2-CE 4.18Å; V489-M509 HydrophobicContact CG2-CG 3.78Å; F499-M509 HydrophobicContact CB-CG 4.43Å; F499-M509 HydrophobicContact CB-SD 3.71Å; F499-M509 HydrophobicContact CD1-CB 3.37Å; F499-M509 HydrophobicContact CD1-CG 3.62Å; F499-M509 HydrophobicContact CD1-SD 4.05Å; F499-M509 HydrophobicContact CD2-SD 4.49Å; F499-M509 HydrophobicContact CE1-CB 3.61Å; F499-M509 HydrophobicContact CE1-CG 3.86Å; F499-M509 HydrophobicContact CG-CB 4.15Å; F499-M509 HydrophobicContact CG-CG 3.94Å; F499-M509 HydrophobicContact CG-SD 3.83Å; F499-M509 HydrophobicContact CZ-CG 4.43Å; T502-M509 HydrophobicContact CG2-CE 4.3Å; T502-M509 HydrophobicContact CG2-SD 3.71Å
510E97.2Very high96.5Very high0 Ų036.5 Ų36.50%022%0.218CC..EExtended strand (participates in β ladder)trans-102.6-29-166.2-61.8-72.7-168.800112.7R449 T455 H478 G501 T523 Q524R449-E510 IonicContact CZ-OE1 3.38Å; R449-E510 VanDerWaalsContact CZ-OE1 3.28Å; R449-E510 IonicContact NE-OE1 3.19Å; R449-E510 PolarHBondContact NE-OE1 3.15Å; R449-E510 IonicContact NH2-OE1 2.74Å; R449-E510 PolarHBondContact NH2-OE1 2.86Å; T455-E510 HydrophobicContact CG2-CB 3.65Å; T455-E510 HydrophobicContact CG2-CG 4.04Å; H478-E510 IonicContact CE1-OE1 2.93Å; H478-E510 IonicContact CE1-OE2 2.68Å; H478-E510 PolarHBondContact CE1-OE2 3.22Å; H478-E510 IonicContact ND1-OE2 2.75Å; G501-E510 PolarHBondContact O-N 2.75Å; E510-T523 CarbonylContact O-C 3.48Å; E510-T523 WeakPolarHBondContact O-CA 3.24Å; E510-Q524 PolarHBondContact O-N 3.49Å; E510-Q524 WeakPolarHBondContact OE2-CB 2.92Å
511I98.2Very high96.6Very high0 Ų036 Ų360%022%0.215CC..EExtended strand (participates in β ladder)trans-139.7127.2-175.7-48.6175.9000110.1T455 F457 I464 F499 V500 G501 V521 A522 T523 Y525T455-I511 HydrophobicContact CG2-CD1 3.99Å; T455-I511 HydrophobicContact CG2-CG1 4.22Å; F457-I511 HydrophobicContact CD1-CD1 4.28Å; F457-I511 HydrophobicContact CE1-CD1 3.47Å; F457-I511 VanDerWaalsContact CE1-CD1 3.47Å; F457-I511 HydrophobicContact CZ-CD1 4.01Å; I464-I511 HydrophobicContact CG2-CD1 4.3Å; I464-I511 HydrophobicContact CG2-CG2 3.81Å; F499-I511 WeakPolarHBondContact CA-O 3.33Å; V500-I511 HydrophobicContact CG2-CB 3.9Å; V500-I511 HydrophobicContact CG2-CG2 3.52Å; V500-I511 PolarHBondContact N-O 3.48Å; G501-I511 PolarHBondContact O-N 3.48Å; I511-V521 HydrophobicContact CG2-CG1 4.41Å; I511-A522 WeakPolarHBondContact CA-O 3.43Å; I511-T523 HydrophobicContact CG1-CG2 4.46Å; I511-T523 HydrophobicContact CG2-CG2 4.31Å; I511-Y525 HydrophobicContact CD1-CE1 3.8Å; I511-Y525 HydrophobicContact CG1-CE1 3.74Å
512I97.9Very high96.6Very high0 Ų036 Ų360%022%0.215CC..EExtended strand (participates in β ladder)trans-109.7145.5171.766.4179.1000111.8L402 A405 V406 M497 R498 F499 V521 A522L402-I512 HydrophobicContact CD1-CG1 4.46Å; L402-I512 HydrophobicContact CD1-CG2 4.34Å; L402-I512 HydrophobicContact CG-CD1 4.21Å; L402-I512 HydrophobicContact CG-CG1 4.44Å; A405-I512 HydrophobicContact CB-CD1 4.04Å; V406-I512 HydrophobicContact CG2-CD1 3.88Å; V406-I512 HydrophobicContact CG2-CG2 4.43Å; M497-I512 HydrophobicContact CE-CD1 4.37Å; M497-I512 HydrophobicContact CG-CB 4.49Å; M497-I512 HydrophobicContact SD-CB 4.03Å; M497-I512 HydrophobicContact SD-CD1 3.83Å; M497-I512 HydrophobicContact SD-CG1 4.23Å; R498-I512 WeakPolarHBondContact O-CA 3.17Å; F499-I512 HydrophobicContact CD1-CG2 3.42Å; F499-I512 VanDerWaalsContact CD1-CG2 3.42Å; F499-I512 HydrophobicContact CE1-CG2 3.37Å; F499-I512 HydrophobicContact CG-CG2 4.44Å; F499-I512 HydrophobicContact CZ-CG2 4.33Å; I512-V521 WeakPolarHBondContact O-CA 3.46Å; I512-A522 HydrophobicContact CD1-CB 3.76Å; I512-A522 HydrophobicContact CG1-CB 3.64Å; I512-A522 PolarHBondContact N-O 3.32Å; I512-A522 PolarHBondContact O-N 3.22Å
513E98Very high96.7Very high8 Ų835.2 Ų35.24%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-131.3134.7166.9-71.6-177.6-176.700110.1S462 V463 I464 R498 V500 F520 V521S462-E513 WeakPolarHBondContact CA-OE1 3.47Å; S462-E513 WeakPolarHBondContact CA-OE2 3.03Å; S462-E513 WeakPolarHBondContact CB-OE1 2.93Å; S462-E513 PolarHBondContact OG-OE1 3.39Å; V463-E513 HydrophobicContact CG1-CG 4.36Å; V463-E513 WeakPolarHBondContact CG1-OE1 3.32Å; V463-E513 PolarHBondContact N-OE1 3.07Å; V463-E513 PolarHBondContact N-OE2 2.62Å; I464-E513 WeakPolarHBondContact CG2-OE1 3.44Å; I464-E513 PolarHBondContact N-OE1 3.02Å; R498-E513 PolarHBondContact N-O 3.49Å; R498-E513 IonicContact NH2-OE2 2.69Å; R498-E513 PolarHBondContact NH2-OE2 2.87Å; R498-E513 PolarHBondContact O-N 2.92Å; V500-E513 HydrophobicContact CG1-CB 4.11Å; V500-E513 HydrophobicContact CG1-CG 4.08Å; V500-E513 HydrophobicContact CG2-CG 3.82Å; E513-F520 WeakPolarHBondContact CA-O 3.47Å; E513-V521 HydrophobicContact CG-CG2 4.35Å
514L97.2Very high96.7Very high21 Ų2135 Ų3511%0.1121%0.209CC..EExtended strand (participates in β ladder)trans-91.1124.9174.2-173.662.8000111.7R389 F409 M497 H517 F520R389-L514 HydrophobicContact CG-CD2 3.61Å; F409-L514 HydrophobicContact CD2-CD1 4.16Å; F409-L514 HydrophobicContact CE2-CD1 3.51Å; F409-L514 HydrophobicContact CZ-CD1 4.15Å; M497-L514 HydrophobicContact CB-CD1 4.45Å; M497-L514 HydrophobicContact CE-CD1 4.24Å; M497-L514 HydrophobicContact SD-CB 4.36Å; M497-L514 HydrophobicContact SD-CD1 4.32Å; L514-H517 HydrophobicContact CB-CB 4.35Å; L514-H517 HydrophobicContact CD2-CB 4.23Å; L514-H517 HydrophobicContact CG-CB 4.4Å; L514-F520 HydrophobicContact CB-CB 3.8Å; L514-F520 HydrophobicContact CB-CD1 3.75Å; L514-F520 HydrophobicContact CB-CG 3.92Å; L514-F520 HydrophobicContact CD2-CD1 4.5Å; L514-F520 HydrophobicContact CD2-CG 4.31Å; L514-F520 PolarHBondContact N-O 3.33Å
515S94.9Very high96.9Very high56 Ų5630.7 Ų30.739%0.39218%0.183SC..THydrogen-bonded Turntrans-65.8136175.5-550000111.3G496 R498 H517G496-S515 WeakPolarHBondContact O-CB 3.35Å; G496-S515 PolarHBondContact O-N 3.26Å; G496-S515 PolarHBondContact O-OG 2.82Å; R498-S515 WeakPolarHBondContact CD-OG 3.17Å; R498-S515 PolarHBondContact NE-OG 3.19Å; S515-H517 VanDerWaalsContact C-N 3.34Å; S515-H517 PolarHBondContact O-N 2.87Å
516G93.7Very high97Very high82 Ų8225.6 Ų25.685%0.84516%0.155SC*.THydrogen-bonded Turntrans83.4-0.1177.300000115.7
517H96.8Very high97.2Very high24 Ų2418.3 Ų18.311%0.11112%0.123CC..SBendtrans-104.5141.5176.1-167.8-80.8000111.1A388 Q392 K393 L514 S515 Y519 F520A388-H517 PolarHBondContact O-NE2 3.07Å; Q392-H517 VanDerWaalsContact CA-NE2 3.34Å; Q392-H517 WeakPolarHBondContact CA-NE2 3.27Å; K393-H517 PolarHBondContact O-CE1 3.48Å; K393-H517 PolarHBondContact O-NE2 3.2Å; L514-H517 HydrophobicContact CB-CB 4.35Å; L514-H517 HydrophobicContact CD2-CB 4.23Å; L514-H517 HydrophobicContact CG-CB 4.4Å; S515-H517 VanDerWaalsContact C-N 3.34Å; S515-H517 PolarHBondContact O-N 2.87Å; H517-Y519 PolarHBondContact CE1-O 3.17Å; H517-Y519 VanDerWaalsContact ND1-C 3.27Å; H517-Y519 PolarHBondContact ND1-N 3.01Å; H517-Y519 PolarHBondContact ND1-O 3.3Å; H517-Y519 PolarHBondContact O-N 3.26Å; H517-F520 HydrophobicContact CB-CB 4.01Å; H517-F520 WeakPolarHBondContact ND1-CB 3.3Å; H517-F520 PolarHBondContact ND1-N 3.48Å
518P95.1Very high97.3Very high70 Ų7015.8 Ų15.846%0.45511%0.108SC..SBendtrans-60-42.7-175.821-33.9000113.7Q392Q392-P518 HydrophobicContact CB-CG 4.3Å; Q392-P518 WeakPolarHBondContact O-CG 3.07Å
519Y98.1Very high97.2Very high2 Ų214.8 Ų14.81%0.00810%0.104CC..SBendtrans-15698.8171.7-169-96.7000110P394 L395 V463 L467 H517 V521 P539 L543 A546 L551P394-Y519 CarbonylContact C-O 3.55Å; P394-Y519 VanDerWaalsContact CA-O 3.26Å; P394-Y519 WeakPolarHBondContact CA-O 3.36Å; L395-Y519 PolarHBondContact N-O 3.37Å; V463-Y519 HydrophobicContact CG1-CD2 4.44Å; V463-Y519 HydrophobicContact CG1-CE2 4.4Å; L467-Y519 HydrophobicContact CD1-CE2 4.2Å; H517-Y519 PolarHBondContact CE1-O 3.17Å; H517-Y519 VanDerWaalsContact ND1-C 3.27Å; H517-Y519 PolarHBondContact ND1-N 3.01Å; H517-Y519 PolarHBondContact ND1-O 3.3Å; H517-Y519 PolarHBondContact O-N 3.26Å; Y519-V521 HydrophobicContact CD1-CG2 4.34Å; Y519-V521 HydrophobicContact CD2-CG2 4Å; Y519-V521 HydrophobicContact CE1-CB 4.04Å; Y519-V521 HydrophobicContact CE1-CG2 3.97Å; Y519-V521 HydrophobicContact CE2-CB 4.45Å; Y519-V521 HydrophobicContact CE2-CG2 3.59Å; Y519-V521 HydrophobicContact CG-CG2 4.36Å; Y519-P539 WeakPolarHBondContact OH-CA 3.48Å; Y519-P539 PolarHBondContact OH-O 2.99Å; Y519-L543 HydrophobicContact CD1-CB 4.42Å; Y519-L543 HydrophobicContact CD1-CD1 4.15Å; Y519-L543 HydrophobicContact CE1-CB 3.9Å; Y519-L543 HydrophobicContact CE1-CD1 4.28Å; Y519-A546 VanDerWaalsContact CB-CB 3.42Å; Y519-A546 HydrophobicContact CD1-CB 4.48Å; Y519-A546 HydrophobicContact CD2-CB 4.42Å; Y519-A546 HydrophobicContact CG-CB 3.89Å; Y519-L551 HydrophobicContact CD2-CD2 3.62Å; Y519-L551 HydrophobicContact CE2-CD2 4.37Å; Y519-L551 HydrophobicContact CG-CD2 4.39Å
520F98.4Very high97.1Very high4 Ų415.8 Ų15.82%0.01811%0.109CC..EExtended strand (participates in β ladder)trans-127.893.3171.3-168.9-79.5000106.5R389 L395 A405 M497 E513 L514 H517R389-F520 HydrophobicContact CB-CE2 4.06Å; L395-F520 HydrophobicContact CB-CD2 3.96Å; L395-F520 HydrophobicContact CB-CE2 4.24Å; L395-F520 HydrophobicContact CD1-CE2 4.08Å; L395-F520 HydrophobicContact CD2-CD2 4.37Å; L395-F520 HydrophobicContact CD2-CE2 4.11Å; L395-F520 HydrophobicContact CD2-CZ 4.19Å; L395-F520 HydrophobicContact CG-CE2 4.37Å; A405-F520 HydrophobicContact CB-CE1 3.93Å; A405-F520 HydrophobicContact CB-CZ 3.88Å; M497-F520 HydrophobicContact CE-CE1 3.98Å; M497-F520 HydrophobicContact SD-CE1 4.46Å; E513-F520 WeakPolarHBondContact CA-O 3.47Å; L514-F520 HydrophobicContact CB-CB 3.8Å; L514-F520 HydrophobicContact CB-CD1 3.75Å; L514-F520 HydrophobicContact CB-CG 3.92Å; L514-F520 HydrophobicContact CD2-CD1 4.5Å; L514-F520 HydrophobicContact CD2-CG 4.31Å; L514-F520 PolarHBondContact N-O 3.33Å; H517-F520 HydrophobicContact CB-CB 4.01Å; H517-F520 WeakPolarHBondContact ND1-CB 3.3Å; H517-F520 PolarHBondContact ND1-N 3.48Å
521V98.4Very high97Very high1 Ų115.8 Ų15.81%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-119.7134.2-177.41800000107.5L395 L396 G397 V463 I464 I511 I512 E513 Y519 T523L395-V521 PolarHBondContact O-N 3.26Å; L396-V521 VanDerWaalsContact CA-O 3.25Å; L396-V521 WeakPolarHBondContact CA-O 3.41Å; L396-V521 HydrophobicContact CD1-CB 4.43Å; L396-V521 HydrophobicContact CD1-CG1 4.36Å; G397-V521 PolarHBondContact N-O 3.38Å; V463-V521 HydrophobicContact CG1-CG2 3.99Å; I464-V521 HydrophobicContact CD1-CG1 4.37Å; I511-V521 HydrophobicContact CG2-CG1 4.41Å; I512-V521 WeakPolarHBondContact O-CA 3.46Å; E513-V521 HydrophobicContact CG-CG2 4.35Å; Y519-V521 HydrophobicContact CD1-CG2 4.34Å; Y519-V521 HydrophobicContact CD2-CG2 4Å; Y519-V521 HydrophobicContact CE1-CB 4.04Å; Y519-V521 HydrophobicContact CE1-CG2 3.97Å; Y519-V521 HydrophobicContact CE2-CB 4.45Å; Y519-V521 HydrophobicContact CE2-CG2 3.59Å; Y519-V521 HydrophobicContact CG-CG2 4.36Å; V521-T523 HydrophobicContact CG1-CG2 4.25Å
522A98.4Very high96.8Very high0 Ų016.6 Ų16.60%011%0.112CC..EExtended strand (participates in β ladder)trans-133.1145.9163.900000110.5G397 L402 I511 I512G397-A522 CarbonylContact O-C 3.51Å; G397-A522 WeakPolarHBondContact O-CA 3.25Å; L402-A522 HydrophobicContact CB-CB 3.76Å; L402-A522 HydrophobicContact CD1-CB 4.38Å; L402-A522 HydrophobicContact CG-CB 4.11Å; I511-A522 WeakPolarHBondContact CA-O 3.43Å; I512-A522 HydrophobicContact CD1-CB 3.76Å; I512-A522 HydrophobicContact CG1-CB 3.64Å; I512-A522 PolarHBondContact N-O 3.32Å; I512-A522 PolarHBondContact O-N 3.22Å
523T98.2Very high96.5Very high0 Ų017.1 Ų17.10%012%0.116CC..EExtended strand (participates in β ladder)trans-128.5143.3-175.865.70000110.1G397 I398 C399 E510 I511 V521 Y525G397-T523 PolarHBondContact O-N 3.02Å; I398-T523 CarbonylContact C-O 3.58Å; C399-T523 PolarHBondContact N-O 3.36Å; E510-T523 CarbonylContact O-C 3.48Å; E510-T523 WeakPolarHBondContact O-CA 3.24Å; I511-T523 HydrophobicContact CG1-CG2 4.46Å; I511-T523 HydrophobicContact CG2-CG2 4.31Å; V521-T523 HydrophobicContact CG1-CG2 4.25Å; T523-Y525 HydrophobicContact CG2-CE1 3.93Å; T523-Y525 HydrophobicContact CG2-CE2 3.91Å; T523-Y525 WeakPolarHBondContact CG2-OH 3.39Å; T523-Y525 PolarHBondContact OG1-O 3.37Å; T523-Y525 VanDerWaalsContact OG1-O 3.08Å
524Q97.5Very high96Very high0 Ų021.2 Ų21.20%014%0.137CC..SBendtrans-75.6-40.4171.4-84.5-66.52200111.9L402 Y482 E483 E510L402-Q524 HydrophobicContact CD1-CG 4Å; L402-Q524 HydrophobicContact CD2-CG 4.35Å; Y482-Q524 PolarHBondContact O-NE2 3.21Å; E483-Q524 PolarHBondContact OE2-NE2 2.91Å; E483-Q524 VanDerWaalsContact OE2-NE2 3.15Å; E510-Q524 PolarHBondContact O-N 3.49Å; E510-Q524 WeakPolarHBondContact OE2-CB 2.92Å
525Y97.9Very high95.7Very high0 Ų027.7 Ų27.70%017%0.165CC..SBendtrans-65.6167173.860.4-100.8000112Y468 E476 R477 I511 T523 P527 P539Y468-Y525 PolarHBondContact OH-OH 3.04Å; E476-Y525 HydrophobicContact CB-CD1 3.95Å; E476-Y525 HydrophobicContact CB-CD2 3.55Å; E476-Y525 HydrophobicContact CB-CE2 4.18Å; E476-Y525 HydrophobicContact CB-CG 3.43Å; E476-Y525 VanDerWaalsContact CB-CG 3.43Å; E476-Y525 HydrophobicContact CG-CD1 4.28Å; E476-Y525 HydrophobicContact CG-CD2 3.6Å; E476-Y525 HydrophobicContact CG-CE1 4.35Å; E476-Y525 HydrophobicContact CG-CE2 3.71Å; E476-Y525 HydrophobicContact CG-CG 3.91Å; R477-Y525 WeakPolarHBondContact O-CA 3.43Å; R477-Y525 WeakPolarHBondContact O-CB 3.47Å; I511-Y525 HydrophobicContact CD1-CE1 3.8Å; I511-Y525 HydrophobicContact CG1-CE1 3.74Å; T523-Y525 HydrophobicContact CG2-CE1 3.93Å; T523-Y525 HydrophobicContact CG2-CE2 3.91Å; T523-Y525 WeakPolarHBondContact CG2-OH 3.39Å; T523-Y525 PolarHBondContact OG1-O 3.37Å; T523-Y525 VanDerWaalsContact OG1-O 3.08Å; Y525-P527 HydrophobicContact CD2-CB 4.25Å; Y525-P527 HydrophobicContact CD2-CG 4.27Å; Y525-P527 HydrophobicContact CE2-CB 3.95Å; Y525-P527 HydrophobicContact CE2-CG 4.09Å; Y525-P527 WeakPolarHBondContact O-CD 3.15Å; Y525-P539 HydrophobicContact CE2-CG 4.28Å
526H97.9Very high95.7Very high13 Ų1326.1 Ų26.16%0.0615%0.153CC..  trans-104.689.4-179.5-73.5-101.4000111.1C399 R477 E528 Y529C399-H526 WeakPolarHBondContact CB-NE2 3.47Å; R477-H526 PolarHBondContact O-N 3.49Å; H526-E528 VanDerWaalsContact CA-OE2 3.24Å; H526-E528 WeakPolarHBondContact CA-OE2 3.34Å; H526-E528 IonicContact CE1-OE1 3.78Å; H526-E528 IonicContact CG-OE1 2.82Å; H526-E528 IonicContact ND1-OE1 3.26Å; H526-E528 PolarHBondContact ND1-OE1 3.28Å; H526-E528 PolarHBondContact O-N 3.42Å; H526-E528 VanDerWaalsContact O-N 3.1Å; H526-Y529 HydrophobicContact CB-CD2 3.35Å; H526-Y529 HydrophobicContact CB-CE2 3.19Å; H526-Y529 HydrophobicContact CB-CG 4.38Å; H526-Y529 AromaticContact CG-CE2 3.56Å; H526-Y529 AromaticContact ND1-CE2 3.96Å; H526-Y529 PolarHBondContact O-N 3.45Å
527P97.3Very high95.9Very high0 Ų022.3 Ų22.30%011%0.114CC..THydrogen-bonded Turntrans-64.1-13.9-177.416.4-22.7000114.6I398 Y525 S537 P539 F540I398-P527 HydrophobicContact CD1-CG 4.34Å; I398-P527 HydrophobicContact CG1-CG 4.37Å; Y525-P527 HydrophobicContact CD2-CB 4.25Å; Y525-P527 HydrophobicContact CD2-CG 4.27Å; Y525-P527 HydrophobicContact CE2-CB 3.95Å; Y525-P527 HydrophobicContact CE2-CG 4.09Å; Y525-P527 WeakPolarHBondContact O-CD 3.15Å; P527-S537 WeakPolarHBondContact CB-OG 3.35Å; P527-S537 WeakPolarHBondContact O-CB 3.49Å; P527-S537 PolarHBondContact O-OG 3.42Å; P527-P539 HydrophobicContact CB-CB 4.27Å; P527-P539 HydrophobicContact CB-CG 3.8Å; P527-P539 HydrophobicContact CG-CB 4.19Å; P527-P539 HydrophobicContact CG-CG 4.1Å; P527-F540 HydrophobicContact CB-CD2 4.01Å; P527-F540 HydrophobicContact CB-CE2 3.83Å; P527-F540 HydrophobicContact CG-CD2 4.18Å; P527-F540 HydrophobicContact CG-CE2 3.7Å
528E96.8Very high95.9Very high6 Ų622.4 Ų22.43%0.02812%0.116CC..THydrogen-bonded Turntrans-71.4-27-176.863.1-87.6-153.500113.6R76 V317 A320 H526 F540R76-E528 PolarHBondContact NH2-O 3.25Å; V317-E528 HydrophobicContact CG2-CB 4.36Å; V317-E528 HydrophobicContact CG2-CG 4.18Å; A320-E528 HydrophobicContact CB-CB 4Å; H526-E528 VanDerWaalsContact CA-OE2 3.24Å; H526-E528 WeakPolarHBondContact CA-OE2 3.34Å; H526-E528 IonicContact CE1-OE1 3.78Å; H526-E528 IonicContact CG-OE1 2.82Å; H526-E528 IonicContact ND1-OE1 3.26Å; H526-E528 PolarHBondContact ND1-OE1 3.28Å; H526-E528 PolarHBondContact O-N 3.42Å; H526-E528 VanDerWaalsContact O-N 3.1Å; E528-F540 HydrophobicContact CB-CE2 3.92Å; E528-F540 HydrophobicContact CB-CZ 3.9Å
529Y96Very high96Very high5 Ų519 Ų192%0.029%0.094CC..THydrogen-bonded Turntrans-73.1-38.7-179-59.7-46.7000112E57 V58 Y59 V60 R477 H526 S531 R532E57-Y529 WeakPolarHBondContact OE1-CE1 3.36Å; V58-Y529 PolarHBondContact O-OH 3.3Å; Y59-Y529 AromaticContact CD2-CD1 3.38Å; Y59-Y529 HydrophobicContact CD2-CD1 3.38Å; Y59-Y529 AromaticContact CD2-CE1 3.71Å; Y59-Y529 HydrophobicContact CD2-CE1 3.71Å; Y59-Y529 HydrophobicContact CD2-CG 4.46Å; Y59-Y529 AromaticContact CE2-CD1 3.38Å; Y59-Y529 HydrophobicContact CE2-CD1 3.38Å; Y59-Y529 HydrophobicContact CE2-CE1 4.2Å; Y59-Y529 HydrophobicContact CE2-CG 4.18Å; Y59-Y529 HydrophobicContact CG-CD1 4.13Å; Y59-Y529 HydrophobicContact CG-CE1 4.26Å; Y59-Y529 PolarHBondContact OH-O 3.02Å; V60-Y529 HydrophobicContact CB-CD2 4.26Å; V60-Y529 HydrophobicContact CB-CE2 3.85Å; V60-Y529 HydrophobicContact CG2-CE2 4.03Å; R477-Y529 HydrophobicContact CB-CD2 3.96Å; H526-Y529 HydrophobicContact CB-CD2 3.35Å; H526-Y529 HydrophobicContact CB-CE2 3.19Å; H526-Y529 HydrophobicContact CB-CG 4.38Å; H526-Y529 AromaticContact CG-CE2 3.56Å; H526-Y529 AromaticContact ND1-CE2 3.96Å; H526-Y529 PolarHBondContact O-N 3.45Å; Y529-S531 VanDerWaalsContact C-N 3.32Å; Y529-R532 PolarHBondContact O-NH1 3.05Å
530L94.9Very high96Very high39 Ų3919 Ų1920%0.2049%0.094CC..SBendtrans-87.70.7179.9-61-166.4000113.7E476 R477E476-L530 WeakPolarHBondContact OE2-CD1 3.26Å; R477-L530 HydrophobicContact CG-CD2 4.45Å
531S96.2Very high96Very high0 Ų019.3 Ų19.30%010%0.096CC..  trans-65.7133.9172.8-1660000111R76 H323 Y529 S537R76-S531 WeakPolarHBondContact CG-O 3.35Å; H323-S531 PolarHBondContact ND1-OG 3.44Å; Y529-S531 VanDerWaalsContact C-N 3.32Å; S531-S537 PolarHBondContact OG-N 2.98Å
532R93.8Very high96Very high18 Ų1819.2 Ų19.27%0.06810%0.096CC..BIsolated β-bridgetrans-124.1152.4172.9-56.7-65.3-179.7-1047109.8E75 D79 H323 Y529 L534 K535E75-R532 WeakPolarHBondContact O-CD 3.44Å; E75-R532 PolarHBondContact O-NE 3.27Å; E75-R532 IonicContact OE2-NH2 2.66Å; D79-R532 IonicContact OD1-NE 2.67Å; H323-R532 VanDerWaalsContact ND1-C 3.31Å; H323-R532 PolarHBondContact ND1-O 3.45Å; Y529-R532 PolarHBondContact O-NH1 3.05Å; R532-L534 PolarHBondContact O-N 3.3Å; R532-K535 HydrophobicContact CB-CB 4.27Å; R532-K535 PolarHBondContact N-O 3.5Å; R532-K535 CarbonylContact O-C 3.55Å; R532-K535 PolarHBondContact O-N 3.07Å; R532-K535 VanDerWaalsContact O-N 3.13Å; R532-K535 VanDerWaalsContact O-O 3.05Å
533P91.2Very high96Very high11 Ų1119.2 Ų19.27%0.07110%0.096CC..THydrogen-bonded Turntrans-59-34.1179.8-21.630.8000113.7R76 Y250 L288R76-P533 VanDerWaalsContact O-CD 3.25Å; R76-P533 WeakPolarHBondContact O-CD 3.3Å; Y250-P533 HydrophobicContact CE1-CB 3.89Å; Y250-P533 HydrophobicContact CE1-CG 3.73Å; L288-P533 HydrophobicContact CD2-CB 3.51Å
534L87.1Confident96Very high93 Ų9319.2 Ų19.249%0.48710%0.096SC..THydrogen-bonded Turntrans-92-14.4178.9-60.3177.1000113.7Q284 R532Q284-L534 HydrophobicContact CB-CD1 4.28Å; Q284-L534 HydrophobicContact CB-CD2 4.24Å; R532-L534 PolarHBondContact O-N 3.3Å
535K91Very high96Very high158 Ų15819.4 Ų19.469%0.68710%0.097SC*.BIsolated β-bridgetrans-137.982.1179.9-172.7-176.8177.6-1740108R532R532-K535 HydrophobicContact CB-CB 4.27Å; R532-K535 PolarHBondContact N-O 3.5Å; R532-K535 CarbonylContact O-C 3.55Å; R532-K535 PolarHBondContact O-N 3.07Å; R532-K535 VanDerWaalsContact O-N 3.13Å; R532-K535 VanDerWaalsContact O-O 3.05Å
536P95.3Very high96Very high23 Ų2319.8 Ų19.815%0.14910%0.1CC..  trans-62.6150.1-178.728.2-36.4000110.4H323 A324 A327 L541H323-P536 HydrophobicContact CB-CB 4.05Å; A324-P536 HydrophobicContact CB-CB 4.34Å; A327-P536 HydrophobicContact CB-CG 3.89Å; P536-L541 HydrophobicContact CG-CD1 4.47Å; P536-L541 HydrophobicContact CG-CD2 4.33Å
537S96.8Very high96Very high2 Ų219.7 Ų19.71%0.01410%0.1CC..  trans-62.7129.4178.2-178.50000111.5P527 S531 P539 F540 L541P527-S537 WeakPolarHBondContact CB-OG 3.35Å; P527-S537 WeakPolarHBondContact O-CB 3.49Å; P527-S537 PolarHBondContact O-OG 3.42Å; S531-S537 PolarHBondContact OG-N 2.98Å; S537-P539 WeakPolarHBondContact OG-CD 3.18Å; S537-F540 PolarHBondContact O-N 2.87Å; S537-F540 VanDerWaalsContact O-N 3.13Å; S537-L541 PolarHBondContact O-N 3.06Å
538P97.1Very high95.9Very high25 Ų2521.1 Ų21.116%0.16211%0.109CC..Hα-helixtrans-57.9-42.9-173.5-28.338.3000115.4L467 Y468 F540 L541 G542L467-P538 HydrophobicContact CB-CB 3.96Å; Y468-P538 HydrophobicContact CD1-CB 4.07Å; Y468-P538 HydrophobicContact CD1-CG 3.6Å; Y468-P538 HydrophobicContact CD2-CB 4.39Å; Y468-P538 HydrophobicContact CE1-CB 3.98Å; Y468-P538 HydrophobicContact CE1-CG 3.53Å; Y468-P538 HydrophobicContact CE2-CB 4.33Å; Y468-P538 HydrophobicContact CG-CB 4.25Å; Y468-P538 HydrophobicContact CG-CG 4.24Å; P538-F540 VanDerWaalsContact C-N 3.32Å; P538-F540 PolarHBondContact O-N 3.02Å; P538-L541 PolarHBondContact O-N 3.3Å; P538-G542 PolarHBondContact O-N 2.77Å
539P98.1Very high95.9Very high0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-61.5-36.1175-22.632.5000113.8L396 I464 Y468 Y519 Y525 P527 S537 L543L396-P539 HydrophobicContact CD1-CB 3.84Å; L396-P539 HydrophobicContact CD2-CB 4.12Å; I464-P539 HydrophobicContact CD1-CB 3.83Å; I464-P539 HydrophobicContact CD1-CG 3.58Å; I464-P539 HydrophobicContact CG1-CG 4.47Å; Y468-P539 HydrophobicContact CE2-CG 4.48Å; Y468-P539 WeakPolarHBondContact OH-CD 3.16Å; Y519-P539 WeakPolarHBondContact OH-CA 3.48Å; Y519-P539 PolarHBondContact OH-O 2.99Å; Y525-P539 HydrophobicContact CE2-CG 4.28Å; P527-P539 HydrophobicContact CB-CB 4.27Å; P527-P539 HydrophobicContact CB-CG 3.8Å; P527-P539 HydrophobicContact CG-CB 4.19Å; P527-P539 HydrophobicContact CG-CG 4.1Å; S537-P539 WeakPolarHBondContact OG-CD 3.18Å; P539-L543 PolarHBondContact O-N 2.81Å; P539-L543 VanDerWaalsContact O-N 3.11Å
540F98.4Very high95.8Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-71.6-41.7176.8-76.5-90000111.7V317 A320 L321 A324 L368 L396 I398 P527 E528 S537 P538 G542 L543 I544V317-F540 HydrophobicContact CG1-CE1 4.07Å; V317-F540 HydrophobicContact CG1-CZ 4.34Å; A320-F540 HydrophobicContact CB-CD1 4.01Å; A320-F540 HydrophobicContact CB-CD2 3.91Å; A320-F540 HydrophobicContact CB-CE1 3.93Å; A320-F540 HydrophobicContact CB-CE2 3.81Å; A320-F540 HydrophobicContact CB-CG 3.99Å; A320-F540 HydrophobicContact CB-CZ 3.83Å; L321-F540 HydrophobicContact CD2-CD1 3.62Å; L321-F540 HydrophobicContact CD2-CE1 4.08Å; L321-F540 HydrophobicContact CG-CD1 3.71Å; L321-F540 HydrophobicContact CG-CE1 3.82Å; A324-F540 HydrophobicContact CB-CB 4.06Å; L368-F540 HydrophobicContact CD1-CD1 4.07Å; L368-F540 HydrophobicContact CD1-CE1 3.39Å; L368-F540 HydrophobicContact CD1-CZ 4.11Å; L396-F540 HydrophobicContact CD2-CD1 4.24Å; L396-F540 HydrophobicContact CD2-CD2 4.34Å; L396-F540 HydrophobicContact CD2-CE1 4.37Å; L396-F540 HydrophobicContact CD2-CE2 4.46Å; L396-F540 HydrophobicContact CD2-CG 4.24Å; L396-F540 HydrophobicContact CD2-CZ 4.47Å; I398-F540 HydrophobicContact CD1-CE1 4.41Å; I398-F540 HydrophobicContact CD1-CE2 4.13Å; I398-F540 HydrophobicContact CD1-CZ 3.59Å; P527-F540 HydrophobicContact CB-CD2 4.01Å; P527-F540 HydrophobicContact CB-CE2 3.83Å; P527-F540 HydrophobicContact CG-CD2 4.18Å; P527-F540 HydrophobicContact CG-CE2 3.7Å; E528-F540 HydrophobicContact CB-CE2 3.92Å; E528-F540 HydrophobicContact CB-CZ 3.9Å; S537-F540 PolarHBondContact O-N 2.87Å; S537-F540 VanDerWaalsContact O-N 3.13Å; P538-F540 VanDerWaalsContact C-N 3.32Å; P538-F540 PolarHBondContact O-N 3.02Å; F540-G542 VanDerWaalsContact C-N 3.31Å; F540-G542 PolarHBondContact O-N 3.26Å; F540-L543 PolarHBondContact O-N 3.1Å; F540-I544 WeakPolarHBondContact O-CG1 3.39Å; F540-I544 PolarHBondContact O-N 3.38Å; F540-I544 VanDerWaalsContact O-N 3.08Å
541L97.6Very high95.8Very high11 Ų1127.1 Ų27.16%0.05814%0.14CC..Hα-helixtrans-61.4-41.8174.7-176.163.6000111.3A324 A327 V328 P536 S537 P538 I544 L545 Y554A324-L541 HydrophobicContact CB-CB 4.48Å; A327-L541 HydrophobicContact CB-CD1 4.19Å; V328-L541 HydrophobicContact CG1-CD1 3.72Å; P536-L541 HydrophobicContact CG-CD1 4.47Å; P536-L541 HydrophobicContact CG-CD2 4.33Å; S537-L541 PolarHBondContact O-N 3.06Å; P538-L541 PolarHBondContact O-N 3.3Å; L541-I544 PolarHBondContact O-N 3.09Å; L541-L545 HydrophobicContact CD1-CD1 4.25Å; L541-L545 HydrophobicContact CD1-CG 4.3Å; L541-L545 HydrophobicContact CD2-CD1 4.49Å; L541-L545 HydrophobicContact CG-CD1 3.87Å; L541-L545 HydrophobicContact CG-CG 4.37Å; L541-L545 VanDerWaalsContact O-CB 3.32Å; L541-L545 WeakPolarHBondContact O-CB 3.39Å; L541-L545 VanDerWaalsContact O-CG 3.26Å; L541-L545 WeakPolarHBondContact O-CG 3.45Å; L541-L545 PolarHBondContact O-N 3.3Å; L541-Y554 HydrophobicContact CD2-CE1 4.28Å
542G97.7Very high95.6Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-58.2-46.5174.600000112.9P538 F540 L545 A546P538-G542 PolarHBondContact O-N 2.77Å; F540-G542 VanDerWaalsContact C-N 3.31Å; F540-G542 PolarHBondContact O-N 3.26Å; G542-L545 PolarHBondContact O-N 3.1Å; G542-A546 WeakPolarHBondContact O-CB 3.38Å; G542-A546 PolarHBondContact O-N 2.92Å
543L98.5Very high95.6Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-58.6-52.5177179.567.4000111.3I301 L321 L368 P394 L396 Y519 P539 F540 L545 A546 S547I301-L543 HydrophobicContact CG2-CD2 4.41Å; L321-L543 HydrophobicContact CD2-CD2 4.18Å; L368-L543 HydrophobicContact CB-CD2 4.3Å; L368-L543 HydrophobicContact CD1-CD2 4.25Å; P394-L543 HydrophobicContact CB-CD1 3.87Å; L396-L543 HydrophobicContact CB-CB 4.4Å; L396-L543 HydrophobicContact CB-CD1 4.23Å; L396-L543 HydrophobicContact CB-CD2 3.92Å; L396-L543 HydrophobicContact CB-CG 4.41Å; L396-L543 HydrophobicContact CD2-CD2 4.48Å; Y519-L543 HydrophobicContact CD1-CB 4.42Å; Y519-L543 HydrophobicContact CD1-CD1 4.15Å; Y519-L543 HydrophobicContact CE1-CB 3.9Å; Y519-L543 HydrophobicContact CE1-CD1 4.28Å; P539-L543 PolarHBondContact O-N 2.81Å; P539-L543 VanDerWaalsContact O-N 3.11Å; F540-L543 PolarHBondContact O-N 3.1Å; L543-L545 PolarHBondContact O-N 3.28Å; L543-A546 PolarHBondContact O-N 3.44Å; L543-S547 PolarHBondContact O-N 3.43Å; L543-S547 PolarHBondContact O-OG 2.86Å
544I98.1Very high95.7Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-63-43.9-178.3-61.6-60000111V299 I301 L321 A324 V328 L332 F540 L541 A546 S547 V548V299-I544 HydrophobicContact CG1-CD1 4.46Å; V299-I544 HydrophobicContact CG1-CG2 4.45Å; I301-I544 HydrophobicContact CD1-CD1 3.96Å; I301-I544 HydrophobicContact CG1-CD1 3.73Å; L321-I544 HydrophobicContact CD2-CD1 4.06Å; A324-I544 HydrophobicContact CB-CB 4.46Å; A324-I544 HydrophobicContact CB-CG1 3.79Å; V328-I544 HydrophobicContact CG2-CG2 3.4Å; L332-I544 HydrophobicContact CD1-CD1 4.22Å; F540-I544 WeakPolarHBondContact O-CG1 3.39Å; F540-I544 PolarHBondContact O-N 3.38Å; F540-I544 VanDerWaalsContact O-N 3.08Å; L541-I544 PolarHBondContact O-N 3.09Å; I544-A546 VanDerWaalsContact C-N 3.29Å; I544-A546 PolarHBondContact O-N 3.37Å; I544-S547 PolarHBondContact O-N 3.26Å; I544-V548 WeakPolarHBondContact O-CG2 3.48Å; I544-V548 PolarHBondContact O-N 3.03Å
545L97.6Very high95.9Very high4 Ų432.5 Ų32.52%0.02117%0.166CC..Hα-helixtrans-61.6-36.9177.4-77170.7000112.5V328 L541 G542 L543 D549 R550 L551 Y554V328-L545 HydrophobicContact CG1-CD2 3.56Å; V328-L545 HydrophobicContact CG1-CG 3.95Å; L541-L545 HydrophobicContact CD1-CD1 4.25Å; L541-L545 HydrophobicContact CD1-CG 4.3Å; L541-L545 HydrophobicContact CD2-CD1 4.49Å; L541-L545 HydrophobicContact CG-CD1 3.87Å; L541-L545 HydrophobicContact CG-CG 4.37Å; L541-L545 VanDerWaalsContact O-CB 3.32Å; L541-L545 WeakPolarHBondContact O-CB 3.39Å; L541-L545 VanDerWaalsContact O-CG 3.26Å; L541-L545 WeakPolarHBondContact O-CG 3.45Å; L541-L545 PolarHBondContact O-N 3.3Å; G542-L545 PolarHBondContact O-N 3.1Å; L543-L545 PolarHBondContact O-N 3.28Å; L545-D549 PolarHBondContact O-N 3.13Å; L545-R550 HydrophobicContact CD2-CB 3.92Å; L545-R550 PolarHBondContact O-N 3.05Å; L545-L551 HydrophobicContact CB-CB 4.01Å; L545-L551 HydrophobicContact CB-CD1 4.13Å; L545-L551 HydrophobicContact CD1-CD1 4.24Å; L545-L551 PolarHBondContact O-N 3.2Å; L545-Y554 HydrophobicContact CD1-CD1 3.55Å; L545-Y554 HydrophobicContact CD1-CD2 4.06Å; L545-Y554 HydrophobicContact CD1-CE1 4.09Å; L545-Y554 HydrophobicContact CD1-CG 3.52Å
546A97.9Very high95.8Very high8 Ų832.7 Ų32.77%0.06617%0.169CC..Hα-helixtrans-69.5-40.417600000111.7P394 Y519 G542 L543 I544 V548 D549 L551P394-A546 HydrophobicContact CB-CB 3.83Å; P394-A546 HydrophobicContact CG-CB 3.7Å; Y519-A546 VanDerWaalsContact CB-CB 3.42Å; Y519-A546 HydrophobicContact CD1-CB 4.48Å; Y519-A546 HydrophobicContact CD2-CB 4.42Å; Y519-A546 HydrophobicContact CG-CB 3.89Å; G542-A546 WeakPolarHBondContact O-CB 3.38Å; G542-A546 PolarHBondContact O-N 2.92Å; L543-A546 PolarHBondContact O-N 3.44Å; I544-A546 VanDerWaalsContact C-N 3.29Å; I544-A546 PolarHBondContact O-N 3.37Å; A546-V548 PolarHBondContact O-N 3.15Å; A546-V548 VanDerWaalsContact O-N 3.14Å; A546-D549 PolarHBondContact O-N 3.32Å; A546-D549 VanDerWaalsContact O-N 3.16Å; A546-L551 HydrophobicContact CB-CB 4.45Å; A546-L551 HydrophobicContact CB-CD2 4.05Å
547S97.8Very high95.5Very high10 Ų1036.6 Ų36.67%0.0718%0.181CC..Hα-helixtrans-63.6-15.3177.4-690000114.5I301 H365 G366 L543 I544I301-S547 WeakPolarHBondContact CD1-OG 3.31Å; H365-S547 VanDerWaalsContact C-OG 3.31Å; H365-S547 WeakPolarHBondContact CB-O 3.39Å; H365-S547 WeakPolarHBondContact O-CB 3.28Å; H365-S547 PolarHBondContact O-OG 3.32Å; G366-S547 WeakPolarHBondContact CA-OG 3.17Å; L543-S547 PolarHBondContact O-N 3.43Å; L543-S547 PolarHBondContact O-OG 2.86Å; I544-S547 PolarHBondContact O-N 3.26Å
548V96.6Very high94.9Very high30 Ų3039 Ų3918%0.18221%0.206CC..THydrogen-bonded Turntrans-120.117.2176.2-58.10000113.1V299 R330 I544 A546 R550V299-V548 HydrophobicContact CB-CG1 4.24Å; V299-V548 HydrophobicContact CG2-CG1 3.9Å; R330-V548 HydrophobicContact CG-CG1 4.28Å; I544-V548 WeakPolarHBondContact O-CG2 3.48Å; I544-V548 PolarHBondContact O-N 3.03Å; A546-V548 PolarHBondContact O-N 3.15Å; A546-V548 VanDerWaalsContact O-N 3.14Å; V548-R550 VanDerWaalsContact C-N 3.26Å; V548-R550 HydrophobicContact CG2-CB 4.11Å; V548-R550 HydrophobicContact CG2-CG 3.85Å; V548-R550 WeakPolarHBondContact O-CG 3.4Å; V548-R550 PolarHBondContact O-N 3.15Å
549D95.7Very high94.3Very high143 Ų14339.2 Ų39.277%0.76521%0.208SC*.THydrogen-bonded Turntrans58.528178.2-60.3-49.9000115.6L545 A546L545-D549 PolarHBondContact O-N 3.13Å; A546-D549 PolarHBondContact O-N 3.32Å; A546-D549 VanDerWaalsContact O-N 3.16Å
550R95.4Very high93.2Very high25 Ų2548.3 Ų48.39%0.09424%0.243CC..  trans-107.6-3.7-178.9-62-171.179.116421.6114.7L545 V548 N552 Q553 Y554 E574L545-R550 HydrophobicContact CD2-CB 3.92Å; L545-R550 PolarHBondContact O-N 3.05Å; V548-R550 VanDerWaalsContact C-N 3.26Å; V548-R550 HydrophobicContact CG2-CB 4.11Å; V548-R550 HydrophobicContact CG2-CG 3.85Å; V548-R550 WeakPolarHBondContact O-CG 3.4Å; V548-R550 PolarHBondContact O-N 3.15Å; R550-N552 PolarHBondContact O-N 3.3Å; R550-Q553 PolarHBondContact O-N 3.43Å; R550-Y554 PolarHBondContact O-N 3Å; R550-E574 IonicContact CZ-OE2 3.92Å; R550-E574 IonicContact NH2-OE2 3.02Å; R550-E574 PolarHBondContact NH2-OE2 3.41Å
551L94.8Very high91.7Very high8 Ų850.3 Ų50.34%0.04225%0.253CS..Hα-helixtrans-59.3-46.8-177.2-178.459.2000112.7V463 L467 Y519 L545 A546 Q553 Y554 I555V463-L551 HydrophobicContact CG2-CD1 4.48Å; V463-L551 HydrophobicContact CG2-CD2 4.05Å; L467-L551 HydrophobicContact CD2-CD1 4.08Å; Y519-L551 HydrophobicContact CD2-CD2 3.62Å; Y519-L551 HydrophobicContact CE2-CD2 4.37Å; Y519-L551 HydrophobicContact CG-CD2 4.39Å; L545-L551 HydrophobicContact CB-CB 4.01Å; L545-L551 HydrophobicContact CB-CD1 4.13Å; L545-L551 HydrophobicContact CD1-CD1 4.24Å; L545-L551 PolarHBondContact O-N 3.2Å; A546-L551 HydrophobicContact CB-CB 4.45Å; A546-L551 HydrophobicContact CB-CD2 4.05Å; L551-Q553 VanDerWaalsContact C-N 3.34Å; L551-Q553 PolarHBondContact O-N 3.49Å; L551-Y554 WeakPolarHBondContact O-CB 3.27Å; L551-Y554 PolarHBondContact O-N 3.3Å; L551-I555 HydrophobicContact CD1-CD1 3.99Å; L551-I555 HydrophobicContact CD1-CG1 4.34Å; L551-I555 HydrophobicContact CG-CD1 3.97Å; L551-I555 WeakPolarHBondContact O-CG1 3.39Å; L551-I555 PolarHBondContact O-N 3.27Å
552N92.2Very high89.3Confident118 Ų11850.9 Ų50.963%0.63126%0.258SS*.Hα-helixtrans-61.5-41.5179.9-68.8-30.3000112.2R550 Y554 I555 Q556R550-N552 PolarHBondContact O-N 3.3Å; N552-Y554 VanDerWaalsContact C-N 3.35Å; N552-I555 PolarHBondContact O-N 2.97Å; N552-Q556 WeakPolarHBondContact O-CB 3.36Å; N552-Q556 WeakPolarHBondContact O-CG 3.1Å; N552-Q556 PolarHBondContact O-N 3.39Å
553Q92.2Very high86.9Confident53 Ų5356 Ų5625%0.24829%0.291CS..Hα-helixtrans-65.9-38.5177.4-62.3177.16.900111.7R550 L551 Q556 R557R550-Q553 PolarHBondContact O-N 3.43Å; L551-Q553 VanDerWaalsContact C-N 3.34Å; L551-Q553 PolarHBondContact O-N 3.49Å; Q553-Q556 PolarHBondContact O-N 3.43Å; Q553-R557 VanDerWaalsContact O-CG 3.3Å; Q553-R557 WeakPolarHBondContact O-CG 3.32Å; Q553-R557 PolarHBondContact O-N 2.99Å; Q553-R557 VanDerWaalsContact O-N 3.15Å
554Y93.3Very high84.2Confident25 Ų2564.6 Ų64.610%0.09832%0.323CS..Hα-helixtrans-63.7-44.9177.7-178-104.2000111.9L467 L541 L545 R550 L551 N552 R557 C559 L561L467-Y554 HydrophobicContact CD2-CD1 3.91Å; L467-Y554 HydrophobicContact CD2-CE1 3.76Å; L541-Y554 HydrophobicContact CD2-CE1 4.28Å; L545-Y554 HydrophobicContact CD1-CD1 3.55Å; L545-Y554 HydrophobicContact CD1-CD2 4.06Å; L545-Y554 HydrophobicContact CD1-CE1 4.09Å; L545-Y554 HydrophobicContact CD1-CG 3.52Å; R550-Y554 PolarHBondContact O-N 3Å; L551-Y554 WeakPolarHBondContact O-CB 3.27Å; L551-Y554 PolarHBondContact O-N 3.3Å; N552-Y554 VanDerWaalsContact C-N 3.35Å; Y554-R557 PolarHBondContact O-N 3.42Å; Y554-C559 HydrophobicContact CD1-CB 4.32Å; Y554-C559 VanDerWaalsContact CE1-CA 3.5Å; Y554-C559 HydrophobicContact CE1-CB 3.64Å; Y554-C559 VanDerWaalsContact CZ-C 3.41Å; Y554-C559 WeakPolarHBondContact O-CA 3.32Å; Y554-C559 PolarHBondContact O-N 3.44Å; Y554-C559 PolarHBondContact OH-O 3.47Å; Y554-L561 HydrophobicContact CD2-CD2 4.03Å; Y554-L561 HydrophobicContact CE2-CD2 3.82Å; Y554-L561 HydrophobicContact CE2-CG 3.9Å
555I91Very high81.9Confident39 Ų3965.2 Ų65.220%0.233%0.326CS..Hα-helixtrans-63.7-46.2176.8-69.4169.3000110.9V463 L551 N552 R557 G558V463-I555 HydrophobicContact CG2-CD1 3.87Å; L551-I555 HydrophobicContact CD1-CD1 3.99Å; L551-I555 HydrophobicContact CD1-CG1 4.34Å; L551-I555 HydrophobicContact CG-CD1 3.97Å; L551-I555 WeakPolarHBondContact O-CG1 3.39Å; L551-I555 PolarHBondContact O-N 3.27Å; N552-I555 PolarHBondContact O-N 2.97Å; I555-R557 PolarHBondContact O-N 3.04Å; I555-G558 PolarHBondContact O-N 3.19Å
556Q89.3Confident79.6Confident162 Ų16268.2 Ų68.276%0.75734%0.342SS*.Hα-helixtrans-60-29.3178.1-74.6171.56.200113.2N552 Q553 G558N552-Q556 WeakPolarHBondContact O-CB 3.36Å; N552-Q556 WeakPolarHBondContact O-CG 3.1Å; N552-Q556 PolarHBondContact O-N 3.39Å; Q553-Q556 PolarHBondContact O-N 3.43Å; Q556-G558 PolarHBondContact O-N 3.16Å
557R89.1Confident76.7Confident105 Ų10570.2 Ų70.240%0.39636%0.356SS..THydrogen-bonded Turntrans-82.56.4175.7-69.7173.5178.9178.8-0.9113.6Q553 Y554 I555 Q565 E574Q553-R557 VanDerWaalsContact O-CG 3.3Å; Q553-R557 WeakPolarHBondContact O-CG 3.32Å; Q553-R557 PolarHBondContact O-N 2.99Å; Q553-R557 VanDerWaalsContact O-N 3.15Å; Y554-R557 PolarHBondContact O-N 3.42Å; I555-R557 PolarHBondContact O-N 3.04Å; R557-Q565 VanDerWaalsContact NH1-NE2 3.18Å; R557-E574 IonicContact NH2-OE1 3.81Å
558G85.4Confident74.2Confident53 Ų5373 Ų7355%0.54637%0.37SS..THydrogen-bonded Turntrans74.435.9-178.300000113.3I555 Q556 R560I555-G558 PolarHBondContact O-N 3.19Å; Q556-G558 PolarHBondContact O-N 3.16Å; G558-R560 VanDerWaalsContact C-N 3.35Å; G558-R560 PolarHBondContact O-N 3.31Å
559C84.5Confident71.3Confident29 Ų2975.8 Ų75.820%0.19640%0.396CS..SBendtrans58.343.1178.3-58.90000113.3Q466 Y554Q466-C559 PolarHBondContact O-SG 3.1Å; Y554-C559 HydrophobicContact CD1-CB 4.32Å; Y554-C559 VanDerWaalsContact CE1-CA 3.5Å; Y554-C559 HydrophobicContact CE1-CB 3.64Å; Y554-C559 VanDerWaalsContact CZ-C 3.41Å; Y554-C559 WeakPolarHBondContact O-CA 3.32Å; Y554-C559 PolarHBondContact O-N 3.44Å; Y554-C559 PolarHBondContact OH-O 3.47Å
560R75.3Confident68.8Low192 Ų19269.9 Ų69.973%0.72537%0.365SS*.  trans-121131.9173.9-64.1-179.6-176.9-178.50.8109.6G558G558-R560 VanDerWaalsContact C-N 3.35Å; G558-R560 PolarHBondContact O-N 3.31Å
561L64.9Low66.3Low42 Ų4271.1 Ų71.122%0.2238%0.378CS..  trans-68.9132.3167-66.1167.8000108.3A327 Y554A327-L561 HydrophobicContact CB-CD1 3.96Å; A327-L561 WeakPolarHBondContact O-CD1 3.48Å; Y554-L561 HydrophobicContact CD2-CD2 4.03Å; Y554-L561 HydrophobicContact CE2-CD2 3.82Å; Y554-L561 HydrophobicContact CE2-CG 3.9Å
562S48.3Very low63.9Low23 Ų2376.2 Ų76.216%0.16141%0.405CS..  trans-61.9139.4178.3166.40000109.7R564 Q565 L566S562-R564 PolarHBondContact O-N 3.33Å; S562-R564 VanDerWaalsContact O-N 3.09Å; S562-R564 PolarHBondContact OG-N 3.11Å; S562-R564 VanDerWaalsContact OG-N 3.13Å; S562-Q565 WeakPolarHBondContact O-CA 3.43Å; S562-Q565 VanDerWaalsContact O-CB 3.29Å; S562-Q565 WeakPolarHBondContact O-CB 3.33Å; S562-Q565 PolarHBondContact O-N 3Å; S562-L566 PolarHBondContact O-N 3.42Å
563P48.3Very low61.4Low106 Ų10677.8 Ų77.869%0.68841%0.409SS*.THydrogen-bonded Turntrans-53.9-28.6170.5-25.333.9000113.2L566 S567P563-L566 WeakPolarHBondContact O-CB 3.33Å; P563-L566 PolarHBondContact O-N 2.94Å; P563-L566 VanDerWaalsContact O-N 3.15Å; P563-S567 PolarHBondContact O-N 2.93Å
564R40.3Very low59.2Low181 Ų18177.8 Ų77.868%0.68341%0.409SS*.THydrogen-bonded Turntrans-70.9-34173.3-71.1-174.4177.5-178.6-2.1112.9S562 L566 S567 S570S562-R564 PolarHBondContact O-N 3.33Å; S562-R564 VanDerWaalsContact O-N 3.09Å; S562-R564 PolarHBondContact OG-N 3.11Å; S562-R564 VanDerWaalsContact OG-N 3.13Å; R564-L566 PolarHBondContact O-N 3.06Å; R564-S567 WeakPolarHBondContact CA-OG 3.49Å; R564-S567 PolarHBondContact O-N 3.33Å; R564-S567 VanDerWaalsContact O-N 3.1Å; R564-S567 PolarHBondContact O-OG 3.46Å; R564-S570 PolarHBondContact O-OG 3.03Å
565Q50.1Low57Low14 Ų1480.2 Ų80.27%0.06542%0.424CS..THydrogen-bonded Turntrans-66.6-20.7170.3-67.2166.5-21.500111.4N329 R557 S562N329-Q565 PolarHBondContact ND2-O 3.35Å; R557-Q565 VanDerWaalsContact NH1-NE2 3.18Å; S562-Q565 WeakPolarHBondContact O-CA 3.43Å; S562-Q565 VanDerWaalsContact O-CB 3.29Å; S562-Q565 WeakPolarHBondContact O-CB 3.33Å; S562-Q565 PolarHBondContact O-N 3Å
566L48.8Very low54.3Low67 Ų6782 Ų8235%0.35144%0.44SS..THydrogen-bonded Turntrans-84.9-14.3174-61.7172.8000113R291 S562 P563 R564R291-L566 VanDerWaalsContact NH2-CB 3.28Å; R291-L566 PolarHBondContact NH2-O 2.76Å; S562-L566 PolarHBondContact O-N 3.42Å; P563-L566 WeakPolarHBondContact O-CB 3.33Å; P563-L566 PolarHBondContact O-N 2.94Å; P563-L566 VanDerWaalsContact O-N 3.15Å; R564-L566 PolarHBondContact O-N 3.06Å
567S37.4Very low52Low50 Ų5079.4 Ų79.435%0.3543%0.434SS..SBendtrans-99.5133.6179.767.70000111.6P563 R564 A569 S570P563-S567 PolarHBondContact O-N 2.93Å; R564-S567 WeakPolarHBondContact CA-OG 3.49Å; R564-S567 PolarHBondContact O-N 3.33Å; R564-S567 VanDerWaalsContact O-N 3.1Å; R564-S567 PolarHBondContact O-OG 3.46Å; S567-A569 PolarHBondContact O-N 3.16Å; S567-S570 PolarHBondContact O-N 2.79Å
568D44.5Very low49.7Very low68 Ų6877.7 Ų77.736%0.36444%0.435SS..G310 helixtrans-58.1-11.9-175.2-65.4-64.4000114.8R290 T294R290-D568 IonicContact CZ-OD2 3.24Å; R290-D568 IonicContact NE-OD2 2.81Å; R290-D568 PolarHBondContact NE-OD2 3.35Å; R290-D568 IonicContact NH2-OD2 2.65Å; R290-D568 PolarHBondContact NH2-OD2 3.1Å; T294-D568 PolarHBondContact OG1-OD1 2.9Å
569A36Very low47.4Very low88 Ų8877.5 Ų77.573%0.72743%0.433SS*.G310 helixtrans-85.3-6.9-172.900000115.4S567S567-A569 PolarHBondContact O-N 3.16Å
570S43.4Very low45Very low19 Ų1982.4 Ų82.413%0.13346%0.457CS..G310 helixtrans-106.13-168.5111.50000115.8R564 S567 D572R564-S570 PolarHBondContact O-OG 3.03Å; S567-S570 PolarHBondContact O-N 2.79Å; S570-D572 PolarHBondContact O-N 3.06Å; S570-D572 VanDerWaalsContact O-N 3.15Å
571S43.1Very low43.1Very low51 Ų5176 Ų7636%0.35745%0.445SS..THydrogen-bonded Turntrans-57-34.6-179.661.70000111R297R297-S571 PolarHBondContact NE-O 3.27Å; R297-S571 PolarHBondContact NH1-O 2.9Å; R297-S571 PolarHBondContact NH2-O 2.73Å
572D44.2Very low41.6Very low115 Ų11576 Ų7662%0.61546%0.455SS*.THydrogen-bonded Turntrans-97.2-22.8-165.7-60.9-11.5000114.7S570S570-D572 PolarHBondContact O-N 3.06Å; S570-D572 VanDerWaalsContact O-N 3.15Å
573E40.9Very low41.1Very low152 Ų15277.5 Ų77.571%0.7147%0.469SS*.THydrogen-bonded Turntrans-92.5-29.4-169.9-65.8-155.4160.300116.2D575 S576E573-D575 PolarHBondContact O-N 2.84Å; E573-S576 PolarHBondContact O-OG 3.13Å
574E45.6Very low40.5Very low52 Ų5277.2 Ų77.224%0.24347%0.465CS..THydrogen-bonded Turntrans-72.5-23.7-168.9-77.8-168.4147.500115.1R550 R557R550-E574 IonicContact CZ-OE2 3.92Å; R550-E574 IonicContact NH2-OE2 3.02Å; R550-E574 PolarHBondContact NH2-OE2 3.41Å; R557-E574 IonicContact NH2-OE1 3.81Å
575D46.7Very low40.4Very low77 Ų7776.5 Ų76.541%0.41247%0.467SS..Hα-helixtrans-82.9-18.1-177.7-70.1-33.4000113.8R297 E573 V577 V578 G579R297-D575 IonicContact CZ-OD2 3.83Å; R297-D575 IonicContact NH1-OD2 3.71Å; R297-D575 PolarHBondContact NH1-OD2 3.36Å; R297-D575 IonicContact NH2-OD2 3.38Å; E573-D575 PolarHBondContact O-N 2.84Å; D575-V577 PolarHBondContact O-N 3.31Å; D575-V578 PolarHBondContact O-N 3.24Å; D575-G579 PolarHBondContact O-N 3.39Å
576S34.8Very low39.9Very low76 Ų7679.6 Ų79.653%0.53149%0.491SS..Hα-helixtrans-59.5-31.9175.465.30000111.9E573 L580E573-S576 PolarHBondContact O-OG 3.13Å; S576-L580 WeakPolarHBondContact O-CD1 3.4Å
577V39.8Very low39.3Very low107 Ų10783.1 Ų83.165%0.64851%0.509SS*.Hα-helixtrans-84-31.1-178-169.80000111.9D575D575-V577 PolarHBondContact O-N 3.31Å
578V42.6Very low39.4Very low69 Ų6985.3 Ų85.342%0.41852%0.524SS..Hα-helixtrans-81.5-35.8-178.7-174.40000111.6D575 L580 A581 G582D575-V578 PolarHBondContact O-N 3.24Å; V578-L580 VanDerWaalsContact C-N 3.33Å; V578-L580 PolarHBondContact O-N 3.08Å; V578-A581 PolarHBondContact O-N 3.1Å; V578-G582 PolarHBondContact O-N 3.11Å
579G35.7Very low39.2Very low49 Ų4986.6 Ų86.651%0.50554%0.539SS..Hα-helixtrans-61.5-37.3176.400000113.6D575 A583D575-G579 PolarHBondContact O-N 3.39Å; G579-A583 WeakPolarHBondContact O-CB 3.4Å; G579-A583 PolarHBondContact O-N 3.45Å
580L33.7Very low39Very low133 Ų13388.8 Ų88.870%0.69654%0.538SS*.Hα-helixtrans-68.5-36.5175.7-88.4153000112.6S576 V578S576-L580 WeakPolarHBondContact O-CD1 3.4Å; V578-L580 VanDerWaalsContact C-N 3.33Å; V578-L580 PolarHBondContact O-N 3.08Å
581A35.2Very low38.4Very low56 Ų5697.4 Ų97.446%0.46357%0.573SS.*Hα-helixtrans-75.6-34178.100000113V578 T584V578-A581 PolarHBondContact O-N 3.1Å; A581-T584 PolarHBondContact O-OG1 3.47Å
582G35.2Very low38.1Very low43 Ų43101.5 Ų101.544%0.44359%0.589SS.*Hα-helixtrans-70.3-41.1176.400000113.6V578 T584 K585 S586V578-G582 PolarHBondContact O-N 3.11Å; G582-T584 VanDerWaalsContact C-N 3.31Å; G582-T584 PolarHBondContact O-N 3.49Å; G582-K585 PolarHBondContact O-N 3.41Å; G582-S586 PolarHBondContact O-N 3.31Å
583A36.3Very low37.9Very low54 Ų54101.6 Ų101.645%0.44660%0.596SS.*Hα-helixtrans-62.5-36.6179.400000112.7G579 K585G579-A583 WeakPolarHBondContact O-CB 3.4Å; G579-A583 PolarHBondContact O-N 3.45Å; A583-K585 VanDerWaalsContact C-N 3.33Å; A583-K585 PolarHBondContact O-N 3.04Å
584T36.5Very low37.6Very low100 Ų100102 Ų10261%0.61360%0.601SS**Hα-helixtrans-70.3-23.5178.256.70000114.3A581 G582A581-T584 PolarHBondContact O-OG1 3.47Å; G582-T584 VanDerWaalsContact C-N 3.31Å; G582-T584 PolarHBondContact O-N 3.49Å
585K38Very low37.2Very low166 Ų166106 Ų10672%0.72263%0.629SS**Hα-helixtrans-85-31.7176.6-76.8-176.2176.1179.50113.2G582 A583 S588G582-K585 PolarHBondContact O-N 3.41Å; A583-K585 VanDerWaalsContact C-N 3.33Å; A583-K585 PolarHBondContact O-N 3.04Å; K585-S588 PolarHBondContact O-OG 3.23Å
586S38.7Very low36.7Very low80 Ų80107.7 Ų107.756%0.55965%0.645SS**Hα-helixtrans-69.3-30.8178.6168.80000113.5G582 S588 S589G582-S586 PolarHBondContact O-N 3.31Å; S586-S588 PolarHBondContact O-N 3.15Å; S586-S589 PolarHBondContact O-OG 3.04Å
587L37.6Very low36.9Very low140 Ų140110.3 Ų110.373%0.73366%0.658SS**G310 helixtrans-77-17.7-179.7-80.7155000114.1
588S39.5Very low36.9Very low96 Ų96113.2 Ų113.267%0.67167%0.67SS**G310 helixtrans-86.2-6.5-177.663.10000115.6K585 S586K585-S588 PolarHBondContact O-OG 3.23Å; S586-S588 PolarHBondContact O-N 3.15Å
589S38.9Very low36.5Very low96 Ų96113.1 Ų113.167%0.67168%0.683SS**G310 helixtrans-106.55.1-173.948.70000115.5S586 K591S586-S589 PolarHBondContact O-OG 3.04Å; S589-K591 PolarHBondContact O-N 3.17Å
590L32.6Very low36.7Very low134 Ų134118.7 Ų118.770%0.70270%0.699SS**  trans-94.583173.5-82.9150.7000110.6
591K31.7Very low36.8Very low200 Ų200116.7 Ų116.787%0.8770%0.697SS**  trans-91.299.4162.1-78.8-174.6178.1179.40108.8S589S589-K591 PolarHBondContact O-N 3.17Å
592I36.3Very low36.9Very low137 Ų137123.5 Ų123.570%0.70372%0.716SS**  trans-83126.2167.2-59.8172.9000107.6
593P39.1Very low36.9Very low116 Ų116125.9 Ų125.975%0.75373%0.726SS**  trans-80.6124.9174.629.6-26.8000110.2
594I36.2Very low36.9Very low160 Ų160128.8 Ų128.882%0.82174%0.742SS**  trans-102.9115.9169.5-59.5173.5000107.6
595T36.4Very low36.9Very low136 Ų136131.6 Ų131.683%0.83475%0.753SS**  trans-99.9134.7169.714.50000110.2
596P36.8Very low36.8Very low114 Ų114127.3 Ų127.374%0.7476%0.755SS**  trans-106.6140.4-179.536.6-27.7000112.8
597T38.4Very low36.7Very low130 Ų130129.4 Ų129.480%0.79877%0.77SS**  trans-151.5121.4159.2460000112.4
598N39Very low36.7Very low168 Ų168130.5 Ų130.590%0.89878%0.775SS**  trans30.5136137.4-53.7-20.7000118.5
599G35.6Very low36.4Very low68 Ų68130.7 Ų130.770%0.70178%0.776SS**  cis140.8155.220.600000108.6
600I38.1Very low36.2Very low165 Ų165132 Ų13285%0.84678%0.78SS**  trans94.3102.5155.1-52.9170.1000119.3
601S36.6Very low36.2Very low92 Ų92129.9 Ų129.964%0.64378%0.777SS**  129131.4112.661.70000120.5
602K37.5Very low36.4Very low198 Ų198127.3 Ų127.386%0.86177%0.773SS**  trans71.6141.9147.4-71.5168.3-179.7-176.80118.3
603S34.9Very low36.3Very low94 Ų94125.4 Ų125.466%0.65777%0.771SS**  cis174.2140.2-15.1500000106.4
604C36Very low36.1Very low115 Ų115128.9 Ų128.978%0.77778%0.778SS**  trans52.6140.3144.4-57.80000119.1
605N37.1Very low36.1Very low159 Ų159125 Ų12585%0.8578%0.778SS**  cis-162.2165.312-83.6-28.4000103.5
606G36Very low36.1Very low75 Ų75122.7 Ų122.777%0.77377%0.772SS**  cis153.1149.521.300000105.7
607S37.2Very low36.1Very low125 Ų125123.8 Ų123.887%0.87478%0.781SS**  trans-145.6108167.849.80000110.9
608I36.7Very low36Very low162 Ų162121.4 Ų121.483%0.83178%0.783SS**  trans-124.7135.9142.1-81.4176.4000105.6
609S34.2Very low36Very low100 Ų100116.7 Ų116.770%0.69977%0.774SS**  trans90.4134.8158.674.10000120.5
610T34.7Very low36.3Very low123 Ų123119.9 Ų119.976%0.75578%0.779SS**  trans79.191158.757.30000119.6
611S32.4Very low36.4Very low91 Ų91118.8 Ų118.864%0.63678%0.775SS**  19.7148.1119.860.10000121.4
612D34.8Very low36.8Very low146 Ų146119.3 Ų119.378%0.78178%0.776SS**  trans78134.6161.3-47.8-35.9000113.7
613S34.4Very low37Very low96 Ų96115.8 Ų115.867%0.67177%0.771SS**  cis-176153.415.130.20000106.8
614E35.4Very low37.4Very low189 Ų189119 Ų11988%0.88378%0.781SS**  trans57.4111.8142.7-62.7176170.300119.5
615G35.3Very low37.7Very low80 Ų80116.8 Ų116.883%0.82578%0.778SS**  105154.893.200000109.7
616A37.2Very low38Very low87 Ų87118.3 Ų118.372%0.71978%0.78SS**  cis-172.1158.7-6.900000106.5
617C37.1Very low38.5Very low136 Ų136128 Ų12892%0.91980%0.801SS**  trans70.2140.4153.8-560000118.7
618G36.3Very low38.5Very low81 Ų81128.2 Ų128.284%0.83580%0.797SS**  cis158159.58.500000109.7
619G38.4Very low38.6Very low69 Ų69126.4 Ų126.471%0.71180%0.795SS**  trans118.495.2169.100000114.1
620V42Very low38.9Very low134 Ų134127.9 Ų127.981%0.81280%0.801SS**  66.1123.572.2-173.10000110
621D41.2Very low39.1Very low142 Ų142128.2 Ų128.276%0.75980%0.803SS**  cis-166.6158.825.9-127.5-21.7000109.4
622P44.1Very low39.5Very low103 Ų103130.5 Ų130.567%0.66981%0.814SS**  trans-107.1146.7156.935.3-24.1000111.6
623T42.7Very low39.9Very low124 Ų124129.5 Ų129.576%0.76182%0.816SS**  trans165153.9145.636.20000114.3
624N42.7Very low40.2Very low161 Ų161131.9 Ų131.986%0.86183%0.826SS**  trans79.8136164-57.4-24.3000116.6
625G41.9Very low40.6Very low69 Ų69127.5 Ų127.571%0.71182%0.822SS**  cis158.6137.18.500000108.1
626H43.2Very low41.1Very low191 Ų191131.4 Ų131.488%0.88482%0.822SS**  trans17.6125.7162.6-69.2-71.1000122
627K45.9Very low41.4Very low280 Ų280135.5 Ų135.5100%1.21783%0.831SS**  -134.10117.8-100-173.5-179.6178.70109.8

Retrieved 627 of 627 residues in 125.2 ms (Link to these results)

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