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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. Required for assembly of cytoophidium in female germline cells1,2. In nurse cells, CTPsyn filament assembly in the cytoophidium is regulated by Ack kinase which may thereby contribute to the control of CTP production at specific stages of oogenesis and development of the nurse cell membrane3.

AlphaFold DB , UniProt , Accession Q9VUL1, 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 401.1 ms (Link to these results)

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