A0A087XY26_POEFO Loading...

Eukaryotic translation elongation factor 1 gamma

Probably plays a role in anchoring the complex to other cellular components.

AlphaFold DB , UniProt , Accession A0A087XY26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1M74.1Confident92.1Very high145 Ų14545.3 Ų45.371%0.71424%0.241SC*.  0132.50-67.8-51.2-62.100108.4S25 A27M1-S25 WeakPolarHBondContact CE-O 3.32Å; M1-S25 WeakPolarHBondContact CE-OG 3.36Å; M1-A27 HydrophobicContact CE-CB 4.26Å
2A87.1Confident92.1Very high20 Ų2041.7 Ų41.717%0.16522%0.222CC..  trans-56.1143.2177.700000110.9A27 R28 Y78 L79A2-A27 HydrophobicContact CB-CB 4.36Å; A2-A27 CarbonylContact O-C 3.5Å; A2-A27 WeakPolarHBondContact O-CA 3.37Å; A2-A27 WeakPolarHBondContact O-CB 3.36Å; A2-R28 PolarHBondContact O-N 3.2Å; A2-Y78 HydrophobicContact CB-CD1 4.22Å; A2-Y78 HydrophobicContact CB-CE1 3.69Å; A2-L79 HydrophobicContact CB-CD2 3.62Å
3A95.8Very high92Very high16 Ų1639.9 Ų39.913%0.13221%0.21CC..EExtended strand (participates in β ladder)trans-139.7131.5178.200000109.1R28 Y61 G63 D64A3-R28 VanDerWaalsContact CA-O 3.27Å; A3-R28 WeakPolarHBondContact CA-O 3.31Å; A3-R28 HydrophobicContact CB-CB 4.02Å; A3-Y61 VanDerWaalsContact C-OH 3.28Å; A3-Y61 PolarHBondContact O-OH 2.97Å; A3-G63 WeakPolarHBondContact O-CA 3.5Å; A3-D64 WeakPolarHBondContact CB-OD2 3.11Å; A3-D64 PolarHBondContact O-N 3.1Å
4G97.4Very high92.1Very high1 Ų142.4 Ų42.41%0.0122%0.215CC..EExtended strand (participates in β ladder)trans171.6-167.6-178.300000114.3R28 K30 Q62G4-R28 PolarHBondContact N-O 2.86Å; G4-K30 PolarHBondContact O-N 3.09Å; G4-Q62 CarbonylContact C-O 3.56Å; G4-Q62 VanDerWaalsContact CA-O 3.24Å; G4-Q62 WeakPolarHBondContact CA-O 3.21Å
5T98.4Very high92.5Very high29 Ų2939.5 Ų39.518%0.17820%0.201CC..EExtended strand (participates in β ladder)trans-111.8132.8-177.3-55.60000111.1Y7 K30 A32 Y61 Q62T5-Y7 HydrophobicContact CG2-CD1 4.32Å; T5-Y7 HydrophobicContact CG2-CE1 3.88Å; T5-Y7 HydrophobicContact CG2-CE2 4.08Å; T5-K30 CarbonylContact C-O 3.51Å; T5-K30 WeakPolarHBondContact CA-O 3.49Å; T5-A32 HydrophobicContact CG2-CB 3.74Å; T5-Y61 WeakPolarHBondContact O-CA 3.39Å; T5-Y61 WeakPolarHBondContact O-CD2 3.49Å; T5-Q62 PolarHBondContact N-O 3.38Å; T5-Q62 PolarHBondContact O-N 3.22Å
6L98.4Very high92.8Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-104.8114.5171.3-171.571.5000109.5A15 A18 Q19 L29 K30 A32 P59 A60 I75L6-A15 HydrophobicContact CD2-CB 4.04Å; L6-A18 HydrophobicContact CD2-CB 4.23Å; L6-Q19 HydrophobicContact CD2-CG 3.98Å; L6-L29 HydrophobicContact CB-CD1 3.94Å; L6-L29 HydrophobicContact CB-CD2 4.28Å; L6-L29 HydrophobicContact CB-CG 4.14Å; L6-L29 HydrophobicContact CD2-CD2 4.11Å; L6-K30 PolarHBondContact N-O 3.15Å; L6-A32 PolarHBondContact O-N 3.38Å; L6-P59 HydrophobicContact CD1-CB 3.92Å; L6-P59 HydrophobicContact CG-CB 4.41Å; L6-A60 CarbonylContact C-O 3.57Å; L6-A60 WeakPolarHBondContact CA-O 3.35Å; L6-I75 HydrophobicContact CD1-CD1 4.3Å; L6-I75 HydrophobicContact CD1-CG2 3.87Å
7Y98.2Very high93.2Very high43 Ų4336.2 Ų36.217%0.16918%0.183CC..EExtended strand (participates in β ladder)trans-88.5127.8174.7-56.6-82.6000110.2T5 A32 F38 F49 F53 P59 A60 Q62T5-Y7 HydrophobicContact CG2-CD1 4.32Å; T5-Y7 HydrophobicContact CG2-CE1 3.88Å; T5-Y7 HydrophobicContact CG2-CE2 4.08Å; Y7-A32 WeakPolarHBondContact CA-O 3.35Å; Y7-A32 HydrophobicContact CD1-CB 3.67Å; Y7-A32 HydrophobicContact CE1-CB 3.97Å; Y7-F38 HydrophobicContact CD1-CD2 4.05Å; Y7-F38 HydrophobicContact CG-CD2 4.46Å; Y7-F49 HydrophobicContact CD1-CE2 4.28Å; Y7-F49 HydrophobicContact CD2-CE2 4.07Å; Y7-F49 AromaticContact CG-CE2 3.81Å; Y7-F49 HydrophobicContact CG-CE2 3.81Å; Y7-F49 HydrophobicContact CG-CZ 4.47Å; Y7-F53 HydrophobicContact CD2-CE2 4.19Å; Y7-F53 HydrophobicContact CD2-CZ 4.46Å; Y7-F53 HydrophobicContact CE2-CE2 4.35Å; Y7-P59 WeakPolarHBondContact O-CA 3.43Å; Y7-A60 PolarHBondContact N-O 3.03Å; Y7-A60 PolarHBondContact O-N 3.43Å; Y7-A60 VanDerWaalsContact O-N 3.09Å; Y7-Q62 HydrophobicContact CE2-CB 4.01Å
8T97.3Very high93.5Very high3 Ų334.2 Ų34.22%0.01817%0.173CC..  trans-162.3164.5179.3-175.80000111.5N12 A15 V31 A32 S33 F38T8-N12 WeakPolarHBondContact OG1-CB 3.4Å; T8-N12 PolarHBondContact OG1-ND2 3.26Å; T8-A15 HydrophobicContact CG2-CB 3.84Å; T8-V31 HydrophobicContact CG2-CG1 3.93Å; T8-A32 PolarHBondContact N-O 2.96Å; T8-A32 VanDerWaalsContact N-O 3.11Å; T8-S33 WeakPolarHBondContact O-CA 3.38Å; T8-S33 VanDerWaalsContact O-CB 3.26Å; T8-S33 WeakPolarHBondContact O-CB 3.17Å; T8-F38 WeakPolarHBondContact O-CD1 3.39Å; T8-F38 WeakPolarHBondContact O-CE1 2.85Å
9Y90.9Very high93.7Very high70 Ų7034.2 Ų34.228%0.27517%0.172SC..  trans-80.8160.116058.6-92.3000110.9N12 F40 V58Y9-N12 HydrophobicContact CD2-CB 3.93Å; Y9-N12 HydrophobicContact CE1-CB 4.24Å; Y9-N12 HydrophobicContact CE2-CB 3.55Å; Y9-N12 HydrophobicContact CG-CB 4.39Å; Y9-N12 VanDerWaalsContact CZ-CG 3.46Å; Y9-N12 WeakPolarHBondContact O-CB 3.46Å; Y9-N12 PolarHBondContact OH-OD1 3.15Å; Y9-F40 AromaticContact CD1-CD2 3.89Å; Y9-F40 HydrophobicContact CD1-CD2 3.89Å; Y9-F40 AromaticContact CD1-CE2 3.89Å; Y9-F40 HydrophobicContact CD1-CE2 3.89Å; Y9-F40 HydrophobicContact CD1-CG 4.23Å; Y9-F40 HydrophobicContact CD1-CZ 4.22Å; Y9-F40 HydrophobicContact CE1-CE2 4.37Å; Y9-F40 HydrophobicContact CE1-CZ 4.46Å; Y9-V58 HydrophobicContact CD1-CG2 3.62Å; Y9-V58 HydrophobicContact CE1-CG2 3.93Å
10P87.6Confident94Very high64 Ų6432.5 Ų32.542%0.41616%0.164SC..THydrogen-bonded Turntrans-58.7152.3177-23.835.1000112.9N12 S33P10-N12 PolarHBondContact O-N 2.95Å; P10-S33 WeakPolarHBondContact CD-O 3.4Å
11D87.9Confident94.2Very high107 Ų10731 Ų3157%0.57216%0.156SC*.THydrogen-bonded Turntrans56.222.9177.5-60.3-44.2000116.4W13 F16 W170D11-W13 PolarHBondContact O-N 3.04Å; D11-F16 HydrophobicContact CB-CZ 4.46Å; D11-W170 HydrophobicContact CB-CZ2 4.49Å
12N91.6Very high95.4Very high2 Ų224.3 Ų24.31%0.01112%0.124CC..  trans-76.2105.2175.6-173.5-0.2000111.3T8 Y9 P10 R14 A15 F16T8-N12 WeakPolarHBondContact OG1-CB 3.4Å; T8-N12 PolarHBondContact OG1-ND2 3.26Å; Y9-N12 HydrophobicContact CD2-CB 3.93Å; Y9-N12 HydrophobicContact CE1-CB 4.24Å; Y9-N12 HydrophobicContact CE2-CB 3.55Å; Y9-N12 HydrophobicContact CG-CB 4.39Å; Y9-N12 VanDerWaalsContact CZ-CG 3.46Å; Y9-N12 WeakPolarHBondContact O-CB 3.46Å; Y9-N12 PolarHBondContact OH-OD1 3.15Å; P10-N12 PolarHBondContact O-N 2.95Å; N12-R14 PolarHBondContact O-N 2.96Å; N12-R14 VanDerWaalsContact O-N 3.07Å; N12-R14 VanDerWaalsContact OD1-CB 3.32Å; N12-R14 WeakPolarHBondContact OD1-CB 3.31Å; N12-R14 PolarHBondContact OD1-N 2.9Å; N12-A15 HydrophobicContact CB-CB 4.02Å; N12-A15 WeakPolarHBondContact O-CA 3.38Å; N12-A15 WeakPolarHBondContact O-CB 3.35Å; N12-A15 PolarHBondContact O-N 2.89Å; N12-F16 PolarHBondContact O-N 2.95Å; N12-F16 VanDerWaalsContact O-N 3.1Å
13W91.3Very high95.9Very high19 Ų1928.3 Ų28.37%0.07214%0.139CC..Hα-helixtrans-57.3-25.6177.466.9-97.1000113.8D11 F16 I107 V169 W170D11-W13 PolarHBondContact O-N 3.04Å; W13-F16 HydrophobicContact CB-CD2 4.27Å; W13-I107 HydrophobicContact CH2-CB 4.37Å; W13-I107 HydrophobicContact CH2-CD1 3.24Å; W13-I107 HydrophobicContact CH2-CG1 3.45Å; W13-I107 VanDerWaalsContact CH2-CG1 3.45Å; W13-I107 HydrophobicContact CH2-CG2 3.97Å; W13-I107 HydrophobicContact CZ2-CD1 4.3Å; W13-I107 HydrophobicContact CZ2-CG1 4.09Å; W13-I107 HydrophobicContact CZ2-CG2 4.01Å; W13-I107 HydrophobicContact CZ3-CD1 3.62Å; W13-I107 HydrophobicContact CZ3-CG1 3.99Å; W13-V169 HydrophobicContact CB-CG1 4.12Å; W13-W170 AromaticContact CD1-CD1 3.85Å
14R93.5Very high96Very high74 Ų7430 Ų3028%0.27914%0.143SC..Hα-helixtrans-69.3-36.7174.1-63.3-178.8178.285.8-2.1111.8N12 K17 P59N12-R14 PolarHBondContact O-N 2.96Å; N12-R14 VanDerWaalsContact O-N 3.07Å; N12-R14 VanDerWaalsContact OD1-CB 3.32Å; N12-R14 WeakPolarHBondContact OD1-CB 3.31Å; N12-R14 PolarHBondContact OD1-N 2.9Å; R14-K17 WeakPolarHBondContact O-CE 3.49Å; R14-P59 HydrophobicContact CB-CG 4.13Å
15A97.4Very high96Very high0 Ų030.8 Ų30.80%015%0.148CC..Hα-helixtrans-75.2-31.9177.700000112L6 T8 N12 K17 A18 Q19 P59L6-A15 HydrophobicContact CD2-CB 4.04Å; T8-A15 HydrophobicContact CG2-CB 3.84Å; N12-A15 HydrophobicContact CB-CB 4.02Å; N12-A15 WeakPolarHBondContact O-CA 3.38Å; N12-A15 WeakPolarHBondContact O-CB 3.35Å; N12-A15 PolarHBondContact O-N 2.89Å; A15-K17 PolarHBondContact O-N 2.85Å; A15-A18 PolarHBondContact O-N 3.27Å; A15-A18 VanDerWaalsContact O-N 3.1Å; A15-Q19 WeakPolarHBondContact O-CG 3.38Å; A15-Q19 PolarHBondContact O-N 3.48Å; A15-Q19 VanDerWaalsContact O-N 3.08Å; A15-P59 HydrophobicContact CB-CB 4.09Å
16F98.4Very high95.9Very high22 Ų2231.6 Ų31.610%0.09616%0.162CC..Hα-helixtrans-56.2-36.4176.1-64.7-22000112.5D11 N12 W13 A18 Q19 I20 V203 L204D11-F16 HydrophobicContact CB-CZ 4.46Å; N12-F16 PolarHBondContact O-N 2.95Å; N12-F16 VanDerWaalsContact O-N 3.1Å; W13-F16 HydrophobicContact CB-CD2 4.27Å; F16-A18 VanDerWaalsContact C-N 3.29Å; F16-A18 PolarHBondContact O-N 3.48Å; F16-Q19 PolarHBondContact O-N 3.35Å; F16-I20 HydrophobicContact CB-CD1 4.37Å; F16-I20 WeakPolarHBondContact O-CB 3.49Å; F16-I20 VanDerWaalsContact O-CG1 3.25Å; F16-I20 WeakPolarHBondContact O-CG1 3.42Å; F16-I20 PolarHBondContact O-N 3.23Å; F16-V203 HydrophobicContact CB-CG1 4.12Å; F16-V203 HydrophobicContact CD1-CG1 3.59Å; F16-V203 HydrophobicContact CE1-CG1 4.25Å; F16-V203 HydrophobicContact CG-CG1 4.07Å; F16-L204 HydrophobicContact CB-CD2 4.03Å; F16-L204 HydrophobicContact CD1-CD2 4.45Å; F16-L204 HydrophobicContact CD2-CD2 3.24Å; F16-L204 HydrophobicContact CE2-CD2 3.66Å; F16-L204 HydrophobicContact CG-CD2 3.7Å; F16-L204 HydrophobicContact CZ-CD2 4.38Å
17K98.6Very high95.9Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-52.6-49175.2-61.8-173.1-65.8-171.50112R14 A15 A21 S72 N73 A76 I162 T163 C166R14-K17 WeakPolarHBondContact O-CE 3.49Å; A15-K17 PolarHBondContact O-N 2.85Å; K17-A21 VanDerWaalsContact O-CB 3.28Å; K17-A21 WeakPolarHBondContact O-CB 3.41Å; K17-A21 PolarHBondContact O-N 3.01Å; K17-S72 WeakPolarHBondContact CE-OG 3.34Å; K17-S72 PolarHBondContact NZ-OG 3.35Å; K17-N73 PolarHBondContact NZ-OD1 3.41Å; K17-A76 HydrophobicContact CB-CB 3.99Å; K17-I162 HydrophobicContact CB-CG2 4.22Å; K17-T163 HydrophobicContact CD-CG2 3.76Å; K17-C166 HydrophobicContact CG-CB 3.76Å
18A98.4Very high95.8Very high0 Ų038.8 Ų38.80%019%0.192CC..Hα-helixtrans-72.8-38.2-177.300000112.2L6 A15 F16 A22 I75 A76 L79L6-A18 HydrophobicContact CD2-CB 4.23Å; A15-A18 PolarHBondContact O-N 3.27Å; A15-A18 VanDerWaalsContact O-N 3.1Å; F16-A18 VanDerWaalsContact C-N 3.29Å; F16-A18 PolarHBondContact O-N 3.48Å; A18-A22 WeakPolarHBondContact O-CB 3.3Å; A18-A22 PolarHBondContact O-N 3.46Å; A18-I75 HydrophobicContact CB-CB 4.49Å; A18-I75 HydrophobicContact CB-CG2 3.82Å; A18-A76 HydrophobicContact CB-CB 4.36Å; A18-L79 HydrophobicContact CB-CD1 4.03Å
19Q98.6Very high95.8Very high35 Ų3540.4 Ų40.416%0.16420%0.2CC..Hα-helixtrans-65.2-45.6176.6-67.2177.754.400111.8L6 A15 F16 A22 Q23 L29 V31 V203L6-Q19 HydrophobicContact CD2-CG 3.98Å; A15-Q19 WeakPolarHBondContact O-CG 3.38Å; A15-Q19 PolarHBondContact O-N 3.48Å; A15-Q19 VanDerWaalsContact O-N 3.08Å; F16-Q19 PolarHBondContact O-N 3.35Å; Q19-A22 WeakPolarHBondContact O-CB 3.42Å; Q19-A22 PolarHBondContact O-N 3.48Å; Q19-Q23 WeakPolarHBondContact O-CG 3.24Å; Q19-Q23 PolarHBondContact O-N 3.45Å; Q19-Q23 VanDerWaalsContact O-N 3.08Å; Q19-L29 HydrophobicContact CG-CD2 4Å; Q19-V31 HydrophobicContact CG-CG2 4.01Å; Q19-V203 HydrophobicContact CB-CB 4.45Å; Q19-V203 HydrophobicContact CB-CG1 3.72Å; Q19-V203 HydrophobicContact CB-CG2 3.8Å
20I98.8Very high96.1Very high0 Ų043.7 Ų43.70%022%0.216CC..Hα-helixtrans-67-41.8178-63.8164.6000110.2F16 A22 Q23 Y24 I162 F200 V203 L204F16-I20 HydrophobicContact CB-CD1 4.37Å; F16-I20 WeakPolarHBondContact O-CB 3.49Å; F16-I20 VanDerWaalsContact O-CG1 3.25Å; F16-I20 WeakPolarHBondContact O-CG1 3.42Å; F16-I20 PolarHBondContact O-N 3.23Å; I20-A22 VanDerWaalsContact C-N 3.27Å; I20-A22 PolarHBondContact O-N 3.41Å; I20-Q23 WeakPolarHBondContact O-CB 3.32Å; I20-Q23 PolarHBondContact O-N 3.33Å; I20-Q23 VanDerWaalsContact O-N 3.11Å; I20-Y24 HydrophobicContact CG2-CD2 4.03Å; I20-Y24 HydrophobicContact CG2-CE2 3.86Å; I20-Y24 WeakPolarHBondContact O-CD2 3.41Å; I20-Y24 PolarHBondContact O-N 3.26Å; I20-I162 HydrophobicContact CB-CG2 4.07Å; I20-I162 HydrophobicContact CG2-CD1 3.94Å; I20-I162 HydrophobicContact CG2-CG1 3.86Å; I20-I162 HydrophobicContact CG2-CG2 4.17Å; I20-F200 HydrophobicContact CD1-CD1 3.68Å; I20-F200 HydrophobicContact CD1-CE1 3.99Å; I20-F200 HydrophobicContact CD1-CG 4.13Å; I20-F200 HydrophobicContact CG2-CD1 4.38Å; I20-F200 HydrophobicContact CG2-CD2 3.7Å; I20-F200 HydrophobicContact CG2-CE1 4.39Å; I20-F200 HydrophobicContact CG2-CE2 3.75Å; I20-F200 HydrophobicContact CG2-CG 4.06Å; I20-F200 HydrophobicContact CG2-CZ 4.11Å; I20-V203 HydrophobicContact CD1-CB 4.49Å; I20-V203 HydrophobicContact CG1-CB 3.74Å; I20-V203 HydrophobicContact CG1-CG1 4Å; I20-V203 HydrophobicContact CG1-CG2 3.78Å; I20-L204 HydrophobicContact CD1-CD1 4.35Å; I20-L204 HydrophobicContact CD1-CD2 4.34Å; I20-L204 HydrophobicContact CD1-CG 4.19Å
21A98.6Very high96.6Very high0 Ų043.6 Ų43.60%021%0.214CC..Hα-helixtrans-56.1-42.9173.200000112K17 Q23 Y24 S25 S80 L84 L159 I162K17-A21 VanDerWaalsContact O-CB 3.28Å; K17-A21 WeakPolarHBondContact O-CB 3.41Å; K17-A21 PolarHBondContact O-N 3.01Å; A21-Q23 VanDerWaalsContact C-N 3.34Å; A21-Q23 PolarHBondContact O-N 3.25Å; A21-Y24 PolarHBondContact O-N 3.09Å; A21-S25 WeakPolarHBondContact O-CB 3.27Å; A21-S25 PolarHBondContact O-N 2.88Å; A21-S25 PolarHBondContact O-OG 2.88Å; A21-S80 WeakPolarHBondContact CB-OG 3.49Å; A21-L84 HydrophobicContact CB-CD1 4.11Å; A21-L159 HydrophobicContact CB-CD2 4.19Å; A21-I162 HydrophobicContact CB-CD1 4.5Å
22A98.3Very high97Very high6 Ų638.8 Ų38.85%0.0519%0.189CC..Hα-helixtrans-63.8-35.3176.300000113.1A18 Q19 I20 Y24 S25 G26 A27 L29A18-A22 WeakPolarHBondContact O-CB 3.3Å; A18-A22 PolarHBondContact O-N 3.46Å; Q19-A22 WeakPolarHBondContact O-CB 3.42Å; Q19-A22 PolarHBondContact O-N 3.48Å; I20-A22 VanDerWaalsContact C-N 3.27Å; I20-A22 PolarHBondContact O-N 3.41Å; A22-Y24 PolarHBondContact O-N 3.31Å; A22-S25 PolarHBondContact O-N 2.86Å; A22-S25 PolarHBondContact O-OG 2.86Å; A22-G26 WeakPolarHBondContact O-CA 3.4Å; A22-G26 PolarHBondContact O-N 3.44Å; A22-A27 HydrophobicContact CB-CB 3.96Å; A22-A27 PolarHBondContact O-N 2.93Å; A22-L29 HydrophobicContact CB-CB 4.09Å; A22-L29 HydrophobicContact CB-CD2 4.08Å
23Q98.4Very high97.1Very high104 Ų10440 Ų4049%0.48620%0.197SC..Hα-helixtrans-62.5-40.1174.4-67.6-62.9-38.300112.4Q19 I20 A21 Q199 A202 V203Q19-Q23 WeakPolarHBondContact O-CG 3.24Å; Q19-Q23 PolarHBondContact O-N 3.45Å; Q19-Q23 VanDerWaalsContact O-N 3.08Å; I20-Q23 WeakPolarHBondContact O-CB 3.32Å; I20-Q23 PolarHBondContact O-N 3.33Å; I20-Q23 VanDerWaalsContact O-N 3.11Å; A21-Q23 VanDerWaalsContact C-N 3.34Å; A21-Q23 PolarHBondContact O-N 3.25Å; Q23-Q199 HydrophobicContact CB-CB 3.67Å; Q23-Q199 HydrophobicContact CB-CG 3.84Å; Q23-A202 HydrophobicContact CG-CB 4.4Å; Q23-V203 HydrophobicContact CG-CG2 3.99Å
24Y98.1Very high97.1Very high52 Ų5243.7 Ų43.720%0.20422%0.218CC..Hα-helixtrans-76.3-36.2177.6-83-74.5000113.3I20 A21 A22 N81 L84 V157 I162 Q197 Q199 F200I20-Y24 HydrophobicContact CG2-CD2 4.03Å; I20-Y24 HydrophobicContact CG2-CE2 3.86Å; I20-Y24 WeakPolarHBondContact O-CD2 3.41Å; I20-Y24 PolarHBondContact O-N 3.26Å; A21-Y24 PolarHBondContact O-N 3.09Å; A22-Y24 PolarHBondContact O-N 3.31Å; Y24-N81 PolarHBondContact O-ND2 2.77Å; Y24-L84 HydrophobicContact CD2-CD2 4.43Å; Y24-L84 HydrophobicContact CG-CD1 4.38Å; Y24-L84 HydrophobicContact CG-CD2 4.28Å; Y24-V157 HydrophobicContact CD2-CG1 4.41Å; Y24-V157 HydrophobicContact CE1-CB 4.32Å; Y24-V157 HydrophobicContact CE1-CG1 4.39Å; Y24-V157 HydrophobicContact CE2-CG1 3.75Å; Y24-I162 HydrophobicContact CD2-CD1 4.14Å; Y24-I162 HydrophobicContact CE2-CD1 4.45Å; Y24-Q197 WeakPolarHBondContact OH-CB 3.3Å; Y24-Q199 HydrophobicContact CD1-CB 4.47Å; Y24-Q199 HydrophobicContact CD1-CG 3.81Å; Y24-Q199 HydrophobicContact CD2-CB 3.7Å; Y24-Q199 HydrophobicContact CD2-CG 3.87Å; Y24-Q199 HydrophobicContact CE1-CB 4.16Å; Y24-Q199 HydrophobicContact CE1-CG 3.71Å; Y24-Q199 HydrophobicContact CE2-CB 3.33Å; Y24-Q199 HydrophobicContact CE2-CG 3.78Å; Y24-Q199 HydrophobicContact CG-CB 4.24Å; Y24-Q199 HydrophobicContact CG-CG 3.87Å; Y24-Q199 PolarHBondContact OH-OE1 3.02Å; Y24-F200 HydrophobicContact CE2-CD2 4.01Å; Y24-F200 AromaticContact CE2-CE2 3.85Å; Y24-F200 HydrophobicContact CE2-CE2 3.85Å
25S97.6Very high97Very high16 Ų1644.6 Ų44.611%0.11223%0.234CC..Hα-helixtrans-81.1-33.4-176780000111.9M1 A21 A22 A27 L79M1-S25 WeakPolarHBondContact CE-O 3.32Å; M1-S25 WeakPolarHBondContact CE-OG 3.36Å; A21-S25 WeakPolarHBondContact O-CB 3.27Å; A21-S25 PolarHBondContact O-N 2.88Å; A21-S25 PolarHBondContact O-OG 2.88Å; A22-S25 PolarHBondContact O-N 2.86Å; A22-S25 PolarHBondContact O-OG 2.86Å; S25-A27 WeakPolarHBondContact OG-CB 3.43Å; S25-A27 PolarHBondContact OG-N 2.78Å; S25-A27 VanDerWaalsContact OG-N 3.12Å; S25-L79 WeakPolarHBondContact CB-O 3.45Å; S25-L79 PolarHBondContact OG-O 3.25Å
26G97.1Very high96.6Very high47 Ų4751 Ų5149%0.48528%0.276SS..THydrogen-bonded Turntrans89.117.1-168.200000113.3A22A22-G26 WeakPolarHBondContact O-CA 3.4Å; A22-G26 PolarHBondContact O-N 3.44Å
27A96.9Very high96.3Very high12 Ų1252.8 Ų52.810%0.09930%0.295CS..  trans-65.6138.2174.700000110.7M1 A2 A22 S25 L29 L79M1-A27 HydrophobicContact CE-CB 4.26Å; A2-A27 HydrophobicContact CB-CB 4.36Å; A2-A27 CarbonylContact O-C 3.5Å; A2-A27 WeakPolarHBondContact O-CA 3.37Å; A2-A27 WeakPolarHBondContact O-CB 3.36Å; A22-A27 HydrophobicContact CB-CB 3.96Å; A22-A27 PolarHBondContact O-N 2.93Å; S25-A27 WeakPolarHBondContact OG-CB 3.43Å; S25-A27 PolarHBondContact OG-N 2.78Å; S25-A27 VanDerWaalsContact OG-N 3.12Å; A27-L29 PolarHBondContact O-N 2.92Å; A27-L79 HydrophobicContact CB-CB 4.49Å; A27-L79 HydrophobicContact CB-CD2 4.17Å
28R96.7Very high96.1Very high182 Ų18252.9 Ų52.969%0.68730%0.295SS*.EExtended strand (participates in β ladder)trans-86.895.7-179.3-66-174.4-59176.63.8109.4A2 A3 G4A2-R28 PolarHBondContact O-N 3.2Å; A3-R28 VanDerWaalsContact CA-O 3.27Å; A3-R28 WeakPolarHBondContact CA-O 3.31Å; A3-R28 HydrophobicContact CB-CB 4.02Å; G4-R28 PolarHBondContact N-O 2.86Å
29L96.9Very high95.8Very high37 Ų3754.7 Ų54.719%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-109.6118.7-174.4-165.167000111.2L6 Q19 A22 A27 Y61 L79L6-L29 HydrophobicContact CB-CD1 3.94Å; L6-L29 HydrophobicContact CB-CD2 4.28Å; L6-L29 HydrophobicContact CB-CG 4.14Å; L6-L29 HydrophobicContact CD2-CD2 4.11Å; Q19-L29 HydrophobicContact CG-CD2 4Å; A22-L29 HydrophobicContact CB-CB 4.09Å; A22-L29 HydrophobicContact CB-CD2 4.08Å; A27-L29 PolarHBondContact O-N 2.92Å; L29-Y61 HydrophobicContact CD1-CD2 3.92Å; L29-Y61 HydrophobicContact CD1-CE2 3.79Å; L29-L79 HydrophobicContact CD1-CD1 3.61Å; L29-L79 HydrophobicContact CD1-CD2 4.39Å; L29-L79 HydrophobicContact CD2-CD1 3.82Å; L29-L79 HydrophobicContact CG-CD1 4.3Å
30K97.4Very high95.3Very high139 Ų13958.7 Ų58.760%0.60432%0.323SS*.EExtended strand (participates in β ladder)trans-89.9131.3167.2-65.3174.8-176.3167.40108.7G4 T5 L6G4-K30 PolarHBondContact O-N 3.09Å; T5-K30 CarbonylContact C-O 3.51Å; T5-K30 WeakPolarHBondContact CA-O 3.49Å; L6-K30 PolarHBondContact N-O 3.15Å
31V97.7Very high94.6Very high61 Ų6160.1 Ų60.137%0.3734%0.337SS..EExtended strand (participates in β ladder)trans-101.9115.4177.1-175.70000109.1T8 Q19T8-V31 HydrophobicContact CG2-CG1 3.93Å; Q19-V31 HydrophobicContact CG-CG2 4.01Å
32A96.8Very high94.3Very high7 Ų766.7 Ų66.76%0.05837%0.368CS..EExtended strand (participates in β ladder)trans-97.797.1173.600000108.7T5 L6 Y7 T8 A37 F38T5-A32 HydrophobicContact CG2-CB 3.74Å; L6-A32 PolarHBondContact O-N 3.38Å; Y7-A32 WeakPolarHBondContact CA-O 3.35Å; Y7-A32 HydrophobicContact CD1-CB 3.67Å; Y7-A32 HydrophobicContact CE1-CB 3.97Å; T8-A32 PolarHBondContact N-O 2.96Å; T8-A32 VanDerWaalsContact N-O 3.11Å; A32-A37 HydrophobicContact CB-CB 4.09Å; A32-F38 HydrophobicContact CB-CB 4.27Å; A32-F38 WeakPolarHBondContact O-CB 3.43Å
33S94.4Very high93.9Very high26 Ų2668.2 Ų68.218%0.18238%0.377CS..  trans-129.9-1.9-176.960.70000116.8T8 P10T8-S33 WeakPolarHBondContact O-CA 3.38Å; T8-S33 VanDerWaalsContact O-CB 3.26Å; T8-S33 WeakPolarHBondContact O-CB 3.17Å; P10-S33 WeakPolarHBondContact CD-O 3.4Å
34N91.8Very high93.6Very high97 Ų9763.8 Ų63.852%0.51936%0.356SS..SBendtrans-133.1155.2-179.8-62.9-55.4000110.7A37 F38N34-A37 PolarHBondContact O-N 3Å; N34-F38 CarbonylContact C-O 3.5Å; N34-F38 PolarHBondContact O-N 2.83Å
35P89.8Confident93.3Very high93 Ų9370 Ų7060%0.60438%0.38SS*.THydrogen-bonded Turntrans-58.6147.4171.9-22.232.7000111.9A37P35-A37 VanDerWaalsContact C-N 3.34Å
36P90.2Very high93.2Very high136 Ų13671.1 Ų71.188%0.88339%0.387SS*.THydrogen-bonded Turncis-83.2-5.5-1.634.8-36000113.6F38P36-F38 PolarHBondContact O-N 2.8Å
37A92.1Very high93.1Very high59 Ų5974.2 Ų74.249%0.48840%0.399SS..THydrogen-bonded Turntrans-67.6-35.4-173.600000112.9A32 N34 P35A32-A37 HydrophobicContact CB-CB 4.09Å; N34-A37 PolarHBondContact O-N 3Å; P35-A37 VanDerWaalsContact C-N 3.34Å
38F94.6Very high93Very high2 Ų277.2 Ų77.21%0.00942%0.423CS..  trans-156.4128.6174.9-173.7-98.8000111.8Y7 T8 A32 N34 P36 F40 T43 N44 F49 V58Y7-F38 HydrophobicContact CD1-CD2 4.05Å; Y7-F38 HydrophobicContact CG-CD2 4.46Å; T8-F38 WeakPolarHBondContact O-CD1 3.39Å; T8-F38 WeakPolarHBondContact O-CE1 2.85Å; A32-F38 HydrophobicContact CB-CB 4.27Å; A32-F38 WeakPolarHBondContact O-CB 3.43Å; N34-F38 CarbonylContact C-O 3.5Å; N34-F38 PolarHBondContact O-N 2.83Å; P36-F38 PolarHBondContact O-N 2.8Å; F38-F40 HydrophobicContact CE1-CB 3.92Å; F38-F40 HydrophobicContact CE1-CD2 4.15Å; F38-F40 HydrophobicContact CZ-CD2 4.25Å; F38-T43 HydrophobicContact CD2-CG2 3.69Å; F38-T43 HydrophobicContact CE2-CG2 4.08Å; F38-N44 HydrophobicContact CE2-CB 3.97Å; F38-N44 HydrophobicContact CZ-CB 3.9Å; F38-F49 HydrophobicContact CD2-CE2 4.47Å; F38-F49 HydrophobicContact CE2-CE2 4Å; F38-F49 HydrophobicContact CE2-CZ 4.21Å; F38-V58 HydrophobicContact CE1-CG1 4.41Å; F38-V58 HydrophobicContact CE2-CG1 4.02Å; F38-V58 HydrophobicContact CZ-CG1 3.58Å; F38-V58 HydrophobicContact CZ-CG2 4.5Å
39T92Very high92.9Very high38 Ų3869.2 Ų69.223%0.23339%0.394CS..  trans-120.1111.7171.5-550000108.8Q42 T43T39-Q42 HydrophobicContact CG2-CB 4.12Å; T39-Q42 HydrophobicContact CG2-CG 4.03Å; T39-Q42 PolarHBondContact O-N 2.93Å; T39-Q42 VanDerWaalsContact O-N 3.1Å; T39-T43 PolarHBondContact N-OG1 3.1Å; T39-T43 PolarHBondContact O-N 3Å; T39-T43 PolarHBondContact O-OG1 3.01Å
40F87.1Confident92.9Very high119 Ų11970.8 Ų70.852%0.52240%0.402SS..THydrogen-bonded Turntrans-63.4137.6179.9-173.7-113.8000111.3Y9 F38 Q42 V58Y9-F40 AromaticContact CD1-CD2 3.89Å; Y9-F40 HydrophobicContact CD1-CD2 3.89Å; Y9-F40 AromaticContact CD1-CE2 3.89Å; Y9-F40 HydrophobicContact CD1-CE2 3.89Å; Y9-F40 HydrophobicContact CD1-CG 4.23Å; Y9-F40 HydrophobicContact CD1-CZ 4.22Å; Y9-F40 HydrophobicContact CE1-CE2 4.37Å; Y9-F40 HydrophobicContact CE1-CZ 4.46Å; F38-F40 HydrophobicContact CE1-CB 3.92Å; F38-F40 HydrophobicContact CE1-CD2 4.15Å; F38-F40 HydrophobicContact CZ-CD2 4.25Å; F40-Q42 PolarHBondContact O-N 3.2Å; F40-V58 HydrophobicContact CD2-CG2 4.08Å; F40-V58 HydrophobicContact CE2-CG2 3.9Å
41G84.9Confident92.8Very high29 Ų2968.8 Ų68.830%0.29941%0.405SS..THydrogen-bonded Turntrans84.7-16.1-172.800000114.2N44 R45G41-N44 PolarHBondContact N-OD1 3.31Å; G41-R45 VanDerWaalsContact O-CD 3.25Å; G41-R45 WeakPolarHBondContact O-CD 3.29Å
42Q90.6Very high92.6Very high139 Ų13969 Ų6965%0.6540%0.404SS*.THydrogen-bonded Turntrans-113.7-64.6177.9-61.6-17912.800111.3T39 F40 N44 R45 S46T39-Q42 HydrophobicContact CG2-CB 4.12Å; T39-Q42 HydrophobicContact CG2-CG 4.03Å; T39-Q42 PolarHBondContact O-N 2.93Å; T39-Q42 VanDerWaalsContact O-N 3.1Å; F40-Q42 PolarHBondContact O-N 3.2Å; Q42-N44 VanDerWaalsContact C-N 3.35Å; Q42-N44 PolarHBondContact O-N 3.39Å; Q42-R45 PolarHBondContact O-N 2.84Å; Q42-S46 PolarHBondContact O-N 3.18Å
43T91.9Very high92.6Very high38 Ų3868.8 Ų68.823%0.23340%0.402CS..G310 helixtrans-59.3-46.2-176-53.90000111.1F38 T39 R45 S46 F49F38-T43 HydrophobicContact CD2-CG2 3.69Å; F38-T43 HydrophobicContact CE2-CG2 4.08Å; T39-T43 PolarHBondContact N-OG1 3.1Å; T39-T43 PolarHBondContact O-N 3Å; T39-T43 PolarHBondContact O-OG1 3.01Å; T43-R45 PolarHBondContact O-N 3.39Å; T43-S46 WeakPolarHBondContact O-CB 3.32Å; T43-S46 PolarHBondContact O-N 3.14Å; T43-S46 VanDerWaalsContact O-N 3.11Å; T43-S46 PolarHBondContact O-OG 3.45Å; T43-F49 HydrophobicContact CG2-CD2 4.21Å; T43-F49 WeakPolarHBondContact O-CB 3.44Å
44N91.3Very high92.4Very high10 Ų1071.5 Ų71.55%0.05342%0.419CS..G310 helixtrans-72.3-7.9-179.365-66.2000114.7F38 G41 Q42 F49 G56 V58F38-N44 HydrophobicContact CE2-CB 3.97Å; F38-N44 HydrophobicContact CZ-CB 3.9Å; G41-N44 PolarHBondContact N-OD1 3.31Å; Q42-N44 VanDerWaalsContact C-N 3.35Å; Q42-N44 PolarHBondContact O-N 3.39Å; N44-F49 VanDerWaalsContact CA-CD1 3.5Å; N44-F49 HydrophobicContact CB-CD1 4.02Å; N44-F49 HydrophobicContact CB-CE1 3.82Å; N44-F49 HydrophobicContact CB-CZ 4.23Å; N44-G56 WeakPolarHBondContact CB-O 3.29Å; N44-G56 PolarHBondContact ND2-O 3.07Å; N44-G56 WeakPolarHBondContact O-CA 3.49Å; N44-V58 HydrophobicContact CB-CG1 4.47Å
45R91.8Very high92.2Very high184 Ų18471.8 Ų71.869%0.69442%0.42SS*.G310 helixtrans-102.1-5.3172.3-62.7-168.2179.8-178.2-3.3112.9G41 Q42 T43 I50G41-R45 VanDerWaalsContact O-CD 3.25Å; G41-R45 WeakPolarHBondContact O-CD 3.29Å; Q42-R45 PolarHBondContact O-N 2.84Å; T43-R45 PolarHBondContact O-N 3.39Å; R45-I50 WeakPolarHBondContact O-CD1 3.13Å
46S94.8Very high92.3Very high38 Ų3867.9 Ų67.927%0.26640%0.397SS..SBendtrans-68.8147.4179.7710000111.5Q42 T43 A48 F49 I50Q42-S46 PolarHBondContact O-N 3.18Å; T43-S46 WeakPolarHBondContact O-CB 3.32Å; T43-S46 PolarHBondContact O-N 3.14Å; T43-S46 VanDerWaalsContact O-N 3.11Å; T43-S46 PolarHBondContact O-OG 3.45Å; S46-A48 PolarHBondContact O-N 3.3Å; S46-F49 PolarHBondContact O-N 2.96Å; S46-F49 VanDerWaalsContact O-N 3.09Å; S46-F49 WeakPolarHBondContact OG-CB 3.35Å; S46-F49 PolarHBondContact OG-N 3.25Å; S46-I50 WeakPolarHBondContact O-CG1 3.32Å; S46-I50 PolarHBondContact O-N 3.43Å
47P96.1Very high92.3Very high113 Ų11367.8 Ų67.873%0.73438%0.382SS*.Hα-helixtrans-56.1-38.7177.4-27.435.1000113.3F49 I50 S51P47-F49 VanDerWaalsContact C-N 3.34Å; P47-F49 PolarHBondContact O-N 3.39Å; P47-I50 PolarHBondContact O-N 2.62Å; P47-S51 WeakPolarHBondContact O-CB 3.36Å; P47-S51 PolarHBondContact O-N 3.47Å
48A94.1Very high92.3Very high74 Ų7465.8 Ų65.861%0.61236%0.364SS*.Hα-helixtrans-62.8-39.617800000112.3S46S46-A48 PolarHBondContact O-N 3.3Å
49F95.4Very high92.5Very high14 Ų1466 Ų666%0.06137%0.365CS..Hα-helixtrans-73.3-45.3177.4-166.1-84.2000111.7Y7 F38 T43 N44 S46 P47 S51 N52 F53 V58 A60Y7-F49 HydrophobicContact CD1-CE2 4.28Å; Y7-F49 HydrophobicContact CD2-CE2 4.07Å; Y7-F49 AromaticContact CG-CE2 3.81Å; Y7-F49 HydrophobicContact CG-CE2 3.81Å; Y7-F49 HydrophobicContact CG-CZ 4.47Å; F38-F49 HydrophobicContact CD2-CE2 4.47Å; F38-F49 HydrophobicContact CE2-CE2 4Å; F38-F49 HydrophobicContact CE2-CZ 4.21Å; T43-F49 HydrophobicContact CG2-CD2 4.21Å; T43-F49 WeakPolarHBondContact O-CB 3.44Å; N44-F49 VanDerWaalsContact CA-CD1 3.5Å; N44-F49 HydrophobicContact CB-CD1 4.02Å; N44-F49 HydrophobicContact CB-CE1 3.82Å; N44-F49 HydrophobicContact CB-CZ 4.23Å; S46-F49 PolarHBondContact O-N 2.96Å; S46-F49 VanDerWaalsContact O-N 3.09Å; S46-F49 WeakPolarHBondContact OG-CB 3.35Å; S46-F49 PolarHBondContact OG-N 3.25Å; P47-F49 VanDerWaalsContact C-N 3.34Å; P47-F49 PolarHBondContact O-N 3.39Å; F49-S51 PolarHBondContact O-N 2.66Å; F49-N52 PolarHBondContact O-N 3.02Å; F49-N52 VanDerWaalsContact O-N 3.09Å; F49-F53 HydrophobicContact CD1-CB 3.97Å; F49-F53 AromaticContact CD1-CD2 3.71Å; F49-F53 HydrophobicContact CD1-CD2 3.71Å; F49-F53 HydrophobicContact CD1-CG 4.31Å; F49-F53 AromaticContact CD2-CD2 3.99Å; F49-F53 HydrophobicContact CD2-CD2 3.99Å; F49-F53 HydrophobicContact CD2-CE2 4.32Å; F49-F53 HydrophobicContact CE1-CB 3.71Å; F49-F53 AromaticContact CE1-CD2 3.47Å; F49-F53 HydrophobicContact CE1-CD2 3.47Å; F49-F53 VanDerWaalsContact CE1-CD2 3.47Å; F49-F53 HydrophobicContact CE1-CE2 4.42Å; F49-F53 AromaticContact CE1-CG 3.92Å; F49-F53 HydrophobicContact CE1-CG 3.92Å; F49-F53 AromaticContact CE2-CD2 3.76Å; F49-F53 HydrophobicContact CE2-CD2 3.76Å; F49-F53 AromaticContact CE2-CE2 3.96Å; F49-F53 HydrophobicContact CE2-CE2 3.96Å; F49-F53 AromaticContact CG-CD2 3.98Å; F49-F53 HydrophobicContact CG-CD2 3.98Å; F49-F53 HydrophobicContact CZ-CB 4.48Å; F49-F53 AromaticContact CZ-CD2 3.5Å; F49-F53 HydrophobicContact CZ-CD2 3.5Å; F49-F53 VanDerWaalsContact CZ-CD2 3.5Å; F49-F53 HydrophobicContact CZ-CE2 4.03Å; F49-F53 HydrophobicContact CZ-CG 4.22Å; F49-F53 WeakPolarHBondContact O-CD2 3.41Å; F49-F53 PolarHBondContact O-N 3.12Å; F49-V58 HydrophobicContact CZ-CG1 4.04Å; F49-A60 HydrophobicContact CE1-CB 4.32Å; F49-A60 HydrophobicContact CZ-CB 3.74Å
50I95.7Very high92.7Very high71 Ų7164.2 Ų64.236%0.36435%0.354SS..Hα-helixtrans-62.5-33.9179.7-67.5173.7000111.2R45 S46 P47 N52 F53 P54R45-I50 WeakPolarHBondContact O-CD1 3.13Å; S46-I50 WeakPolarHBondContact O-CG1 3.32Å; S46-I50 PolarHBondContact O-N 3.43Å; P47-I50 PolarHBondContact O-N 2.62Å; I50-N52 PolarHBondContact O-N 2.64Å; I50-F53 WeakPolarHBondContact CA-O 3.4Å; I50-F53 CarbonylContact O-C 3.34Å; I50-F53 VanDerWaalsContact O-C 3.23Å; I50-F53 PolarHBondContact O-N 2.85Å; I50-P54 VanDerWaalsContact O-CA 3.3Å; I50-P54 WeakPolarHBondContact O-CA 3.47Å
51S96.2Very high93.3Very high97 Ų9758.6 Ų58.668%0.67833%0.33SS*.Hα-helixtrans-57.3-35.2174.7-1730000112.9P47 F49P47-S51 WeakPolarHBondContact O-CB 3.36Å; P47-S51 PolarHBondContact O-N 3.47Å; F49-S51 PolarHBondContact O-N 2.66Å
52N94.2Very high93.9Very high64 Ų6459.7 Ų59.734%0.34233%0.327SS..Hα-helixtrans-93.1-28.3177.7-68.1-20.1000112.3F49 I50 C68F49-N52 PolarHBondContact O-N 3.02Å; F49-N52 VanDerWaalsContact O-N 3.09Å; I50-N52 PolarHBondContact O-N 2.64Å; N52-C68 HydrophobicContact CB-CB 4.39Å
53F96.3Very high94.3Very high4 Ų453.3 Ų53.32%0.01830%0.299CS..SBendtrans-133.983.8-174-51.3-63.7000110.2Y7 F49 I50 L55 G56 A60 Y61 Q62 C68 F70Y7-F53 HydrophobicContact CD2-CE2 4.19Å; Y7-F53 HydrophobicContact CD2-CZ 4.46Å; Y7-F53 HydrophobicContact CE2-CE2 4.35Å; F49-F53 HydrophobicContact CD1-CB 3.97Å; F49-F53 AromaticContact CD1-CD2 3.71Å; F49-F53 HydrophobicContact CD1-CD2 3.71Å; F49-F53 HydrophobicContact CD1-CG 4.31Å; F49-F53 AromaticContact CD2-CD2 3.99Å; F49-F53 HydrophobicContact CD2-CD2 3.99Å; F49-F53 HydrophobicContact CD2-CE2 4.32Å; F49-F53 HydrophobicContact CE1-CB 3.71Å; F49-F53 AromaticContact CE1-CD2 3.47Å; F49-F53 HydrophobicContact CE1-CD2 3.47Å; F49-F53 VanDerWaalsContact CE1-CD2 3.47Å; F49-F53 HydrophobicContact CE1-CE2 4.42Å; F49-F53 AromaticContact CE1-CG 3.92Å; F49-F53 HydrophobicContact CE1-CG 3.92Å; F49-F53 AromaticContact CE2-CD2 3.76Å; F49-F53 HydrophobicContact CE2-CD2 3.76Å; F49-F53 AromaticContact CE2-CE2 3.96Å; F49-F53 HydrophobicContact CE2-CE2 3.96Å; F49-F53 AromaticContact CG-CD2 3.98Å; F49-F53 HydrophobicContact CG-CD2 3.98Å; F49-F53 HydrophobicContact CZ-CB 4.48Å; F49-F53 AromaticContact CZ-CD2 3.5Å; F49-F53 HydrophobicContact CZ-CD2 3.5Å; F49-F53 VanDerWaalsContact CZ-CD2 3.5Å; F49-F53 HydrophobicContact CZ-CE2 4.03Å; F49-F53 HydrophobicContact CZ-CG 4.22Å; F49-F53 WeakPolarHBondContact O-CD2 3.41Å; F49-F53 PolarHBondContact O-N 3.12Å; I50-F53 WeakPolarHBondContact CA-O 3.4Å; I50-F53 CarbonylContact O-C 3.34Å; I50-F53 VanDerWaalsContact O-C 3.23Å; I50-F53 PolarHBondContact O-N 2.85Å; F53-L55 PolarHBondContact O-N 3.11Å; F53-G56 PolarHBondContact O-N 3.38Å; F53-A60 HydrophobicContact CB-CB 4.47Å; F53-A60 HydrophobicContact CD1-CB 3.67Å; F53-A60 HydrophobicContact CD2-CB 3.86Å; F53-A60 HydrophobicContact CE1-CB 3.74Å; F53-A60 HydrophobicContact CE2-CB 3.92Å; F53-A60 HydrophobicContact CG-CB 3.72Å; F53-A60 HydrophobicContact CZ-CB 3.86Å; F53-Y61 VanDerWaalsContact CE1-O 3.32Å; F53-Y61 WeakPolarHBondContact CE1-O 2.72Å; F53-Y61 WeakPolarHBondContact CZ-O 3.48Å; F53-Q62 HydrophobicContact CZ-CB 4.27Å; F53-C68 HydrophobicContact CE1-CB 3.93Å; F53-C68 HydrophobicContact CZ-CB 4.33Å; F53-F70 HydrophobicContact CD1-CB 4.23Å
54P90.4Very high94.5Very high82 Ų8256.2 Ų56.253%0.53231%0.313SS..THydrogen-bonded Turntrans-58.1-28.3-164.3-29.636.3000116I50 G56I50-P54 VanDerWaalsContact O-CA 3.3Å; I50-P54 WeakPolarHBondContact O-CA 3.47Å; P54-G56 VanDerWaalsContact C-N 3.34Å
55L87.4Confident94.7Very high104 Ų10461.6 Ų61.655%0.54534%0.341SS..THydrogen-bonded Turntrans-84.6-6179.2-63.8-179.7000113.7F53 K57F53-L55 PolarHBondContact O-N 3.11Å; L55-K57 HydrophobicContact CB-CB 4.41Å; L55-K57 HydrophobicContact CB-CD 4.13Å; L55-K57 HydrophobicContact CB-CG 4.02Å; L55-K57 HydrophobicContact CD1-CD 4.33Å; L55-K57 PolarHBondContact O-N 3.27Å
56G91.9Very high94.9Very high11 Ų1154.9 Ų54.911%0.11333%0.33CS..  trans58.222-175.700000113.7N44 F53 P54N44-G56 WeakPolarHBondContact CB-O 3.29Å; N44-G56 PolarHBondContact ND2-O 3.07Å; N44-G56 WeakPolarHBondContact O-CA 3.49Å; F53-G56 PolarHBondContact O-N 3.38Å; P54-G56 VanDerWaalsContact C-N 3.34Å
57K89.2Confident95Very high134 Ų13457.1 Ų57.158%0.58334%0.335SS*.  trans-93.6158.9-178.9-70.2-179.1-175.5176.90111L55L55-K57 HydrophobicContact CB-CB 4.41Å; L55-K57 HydrophobicContact CB-CD 4.13Å; L55-K57 HydrophobicContact CB-CG 4.02Å; L55-K57 HydrophobicContact CD1-CD 4.33Å; L55-K57 PolarHBondContact O-N 3.27Å
58V92.6Very high95.1Very high17 Ų1753.5 Ų53.510%0.10331%0.312CS..SBendtrans-129.1148.8172.1-68.10000110.9Y9 F38 F40 N44 F49Y9-V58 HydrophobicContact CD1-CG2 3.62Å; Y9-V58 HydrophobicContact CE1-CG2 3.93Å; F38-V58 HydrophobicContact CE1-CG1 4.41Å; F38-V58 HydrophobicContact CE2-CG1 4.02Å; F38-V58 HydrophobicContact CZ-CG1 3.58Å; F38-V58 HydrophobicContact CZ-CG2 4.5Å; F40-V58 HydrophobicContact CD2-CG2 4.08Å; F40-V58 HydrophobicContact CE2-CG2 3.9Å; N44-V58 HydrophobicContact CB-CG1 4.47Å; F49-V58 HydrophobicContact CZ-CG1 4.04Å
59P97.5Very high95.3Very high6 Ų651.5 Ų51.54%0.03929%0.291CS..SBendcis-71.5145.6929.5-36000114.3L6 Y7 R14 A15 I75L6-P59 HydrophobicContact CD1-CB 3.92Å; L6-P59 HydrophobicContact CG-CB 4.41Å; Y7-P59 WeakPolarHBondContact O-CA 3.43Å; R14-P59 HydrophobicContact CB-CG 4.13Å; A15-P59 HydrophobicContact CB-CB 4.09Å; P59-I75 HydrophobicContact CB-CD1 4.22Å; P59-I75 HydrophobicContact CG-CD1 4.38Å; P59-I75 WeakPolarHBondContact O-CD1 3.32Å
60A98Very high95.3Very high0 Ų055.2 Ų55.20%031%0.307CS..EExtended strand (participates in β ladder)trans-132.5138174.500000109.3L6 Y7 F49 F53L6-A60 CarbonylContact C-O 3.57Å; L6-A60 WeakPolarHBondContact CA-O 3.35Å; Y7-A60 PolarHBondContact N-O 3.03Å; Y7-A60 PolarHBondContact O-N 3.43Å; Y7-A60 VanDerWaalsContact O-N 3.09Å; F49-A60 HydrophobicContact CE1-CB 4.32Å; F49-A60 HydrophobicContact CZ-CB 3.74Å; F53-A60 HydrophobicContact CB-CB 4.47Å; F53-A60 HydrophobicContact CD1-CB 3.67Å; F53-A60 HydrophobicContact CD2-CB 3.86Å; F53-A60 HydrophobicContact CE1-CB 3.74Å; F53-A60 HydrophobicContact CE2-CB 3.92Å; F53-A60 HydrophobicContact CG-CB 3.72Å; F53-A60 HydrophobicContact CZ-CB 3.86Å
61Y98.6Very high95.2Very high1 Ų156.5 Ų56.50%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-118.5135-175.3172.9-100.5000111.3A3 T5 L29 F53 F67 C68 L69 I75 Y78 L79A3-Y61 VanDerWaalsContact C-OH 3.28Å; A3-Y61 PolarHBondContact O-OH 2.97Å; T5-Y61 WeakPolarHBondContact O-CA 3.39Å; T5-Y61 WeakPolarHBondContact O-CD2 3.49Å; L29-Y61 HydrophobicContact CD1-CD2 3.92Å; L29-Y61 HydrophobicContact CD1-CE2 3.79Å; F53-Y61 VanDerWaalsContact CE1-O 3.32Å; F53-Y61 WeakPolarHBondContact CE1-O 2.72Å; F53-Y61 WeakPolarHBondContact CZ-O 3.48Å; Y61-F67 HydrophobicContact CE1-CD1 4.38Å; Y61-C68 WeakPolarHBondContact O-CA 3.34Å; Y61-L69 HydrophobicContact CD1-CB 4.24Å; Y61-L69 PolarHBondContact N-O 3.42Å; Y61-L69 PolarHBondContact O-N 2.9Å; Y61-I75 HydrophobicContact CG-CG2 4.22Å; Y61-Y78 HydrophobicContact CD1-CD1 4.38Å; Y61-Y78 HydrophobicContact CD1-CE1 4.45Å; Y61-Y78 AromaticContact CE1-CD1 3.88Å; Y61-Y78 HydrophobicContact CE1-CD1 3.88Å; Y61-Y78 AromaticContact CE1-CE1 3.59Å; Y61-Y78 HydrophobicContact CE1-CE1 3.59Å; Y61-L79 HydrophobicContact CE2-CD2 3.96Å
62Q98.1Very high95.3Very high52 Ų5252.4 Ų52.424%0.24328%0.283CS..EExtended strand (participates in β ladder)trans-125.7118.9170-172.8163.93300109.5G4 T5 Y7 F53 F67G4-Q62 CarbonylContact C-O 3.56Å; G4-Q62 VanDerWaalsContact CA-O 3.24Å; G4-Q62 WeakPolarHBondContact CA-O 3.21Å; T5-Q62 PolarHBondContact N-O 3.38Å; T5-Q62 PolarHBondContact O-N 3.22Å; Y7-Q62 HydrophobicContact CE2-CB 4.01Å; F53-Q62 HydrophobicContact CZ-CB 4.27Å; Q62-F67 CarbonylContact C-O 3.23Å; Q62-F67 WeakPolarHBondContact CA-O 3.46Å
63G98Very high95.4Very high5 Ų551.3 Ų51.35%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-68.1153.5173.100000111.9A3 D65 G66 F67A3-G63 WeakPolarHBondContact O-CA 3.5Å; G63-D65 WeakPolarHBondContact CA-OD1 3.39Å; G63-D65 PolarHBondContact O-N 3.24Å; G63-D65 VanDerWaalsContact O-N 3.15Å; G63-G66 PolarHBondContact O-N 2.99Å; G63-F67 PolarHBondContact N-O 3.15Å
64D97.1Very high95.5Very high100 Ų10053 Ų5354%0.53529%0.292SS..THydrogen-bonded Turntrans-62-18.3173.4-67.8-22.9000112A3 G66A3-D64 WeakPolarHBondContact CB-OD2 3.11Å; A3-D64 PolarHBondContact O-N 3.1Å; D64-G66 VanDerWaalsContact C-N 3.35Å
65D95.8Very high95.9Very high122 Ų12249.1 Ų49.165%0.65227%0.266SS*.THydrogen-bonded Turntrans-87.31.4174.362.9-6.1000113.8G63 F67G63-D65 WeakPolarHBondContact CA-OD1 3.39Å; G63-D65 PolarHBondContact O-N 3.24Å; G63-D65 VanDerWaalsContact O-N 3.15Å; D65-F67 VanDerWaalsContact OD1-CB 3.31Å; D65-F67 WeakPolarHBondContact OD1-CB 3.47Å; D65-F67 PolarHBondContact OD1-N 3.44Å
66G95.6Very high96.4Very high44 Ų4444.2 Ų44.245%0.45424%0.241SC..SBendtrans87.4-3.4-178.200000114.8G63 D64 C68G63-G66 PolarHBondContact O-N 2.99Å; D64-G66 VanDerWaalsContact C-N 3.35Å; G66-C68 PolarHBondContact O-N 3.26Å; G66-C68 PolarHBondContact O-SG 2.66Å; G66-C68 VanDerWaalsContact O-SG 3.38Å
67F97.4Very high96.7Very high85 Ų8548.3 Ų48.337%0.37326%0.257SS..  trans-63.4122.5176.8175.2-113.6000111.1Y61 Q62 G63 D65 L69 Y78Y61-F67 HydrophobicContact CE1-CD1 4.38Å; Q62-F67 CarbonylContact C-O 3.23Å; Q62-F67 WeakPolarHBondContact CA-O 3.46Å; G63-F67 PolarHBondContact N-O 3.15Å; D65-F67 VanDerWaalsContact OD1-CB 3.31Å; D65-F67 WeakPolarHBondContact OD1-CB 3.47Å; D65-F67 PolarHBondContact OD1-N 3.44Å; F67-L69 HydrophobicContact CE1-CB 3.89Å; F67-L69 HydrophobicContact CE1-CD2 4.09Å; F67-L69 HydrophobicContact CE1-CG 4.43Å; F67-L69 HydrophobicContact CZ-CB 4.17Å; F67-L69 HydrophobicContact CZ-CD1 4.2Å; F67-L69 HydrophobicContact CZ-CD2 4.41Å; F67-Y78 HydrophobicContact CD1-CE1 4.13Å; F67-Y78 HydrophobicContact CD1-CE2 4.1Å; F67-Y78 AromaticContact CD1-CZ 3.76Å; F67-Y78 HydrophobicContact CE1-CD1 4.4Å; F67-Y78 AromaticContact CE1-CD2 3.98Å; F67-Y78 HydrophobicContact CE1-CD2 3.98Å; F67-Y78 HydrophobicContact CE1-CE1 4.16Å; F67-Y78 AromaticContact CE1-CE2 3.7Å; F67-Y78 HydrophobicContact CE1-CE2 3.7Å; F67-Y78 HydrophobicContact CE1-CG 4.33Å; F67-Y78 AromaticContact CE1-CZ 3.8Å; F67-Y78 HydrophobicContact CZ-CE2 4.49Å
68C97.8Very high97.1Very high36 Ų3645.6 Ų45.624%0.24324%0.244CC..EExtended strand (participates in β ladder)trans-106.8135.3-179.8-64.70000110.8N52 F53 Y61 G66N52-C68 HydrophobicContact CB-CB 4.39Å; F53-C68 HydrophobicContact CE1-CB 3.93Å; F53-C68 HydrophobicContact CZ-CB 4.33Å; Y61-C68 WeakPolarHBondContact O-CA 3.34Å; G66-C68 PolarHBondContact O-N 3.26Å; G66-C68 PolarHBondContact O-SG 2.66Å; G66-C68 VanDerWaalsContact O-SG 3.38Å
69L97.9Very high97.4Very high33 Ų3344.9 Ų44.917%0.17324%0.239CC..EExtended strand (participates in β ladder)trans-140.8129.2180-170.761.8000110.7Y61 F67 A74 I75 Y78Y61-L69 HydrophobicContact CD1-CB 4.24Å; Y61-L69 PolarHBondContact N-O 3.42Å; Y61-L69 PolarHBondContact O-N 2.9Å; F67-L69 HydrophobicContact CE1-CB 3.89Å; F67-L69 HydrophobicContact CE1-CD2 4.09Å; F67-L69 HydrophobicContact CE1-CG 4.43Å; F67-L69 HydrophobicContact CZ-CB 4.17Å; F67-L69 HydrophobicContact CZ-CD1 4.2Å; F67-L69 HydrophobicContact CZ-CD2 4.41Å; L69-A74 HydrophobicContact CD1-CB 4.15Å; L69-A74 HydrophobicContact CD2-CB 4.27Å; L69-A74 HydrophobicContact CG-CB 4.29Å; L69-I75 HydrophobicContact CB-CG1 4.35Å; L69-I75 HydrophobicContact CD2-CG1 4.18Å; L69-I75 HydrophobicContact CG-CG1 4Å; L69-Y78 HydrophobicContact CD2-CG 4.03Å
70F94.9Very high97.4Very high91 Ų9144.9 Ų44.940%0.39924%0.239SC..EExtended strand (participates in β ladder)trans-113175.6170.457.9-87.6000109.8F53F53-F70 HydrophobicContact CD1-CB 4.23Å
71E94.7Very high97.3Very high98 Ų9847.3 Ų47.346%0.45825%0.252SS..SBendtrans72.9118.4-167.5-60.3-53.6132.800115.2N73 A74 I75E71-N73 VanDerWaalsContact C-N 3.31Å; E71-N73 PolarHBondContact O-N 3.42Å; E71-A74 HydrophobicContact CB-CB 4.22Å; E71-A74 PolarHBondContact O-N 3.31Å; E71-A74 VanDerWaalsContact O-N 3.1Å; E71-I75 WeakPolarHBondContact O-CG1 3.43Å; E71-I75 PolarHBondContact O-N 3.02Å
72S96.9Very high97.2Very high12 Ų1252.5 Ų52.58%0.08428%0.28CS..Hα-helixtrans-59.3-35.8-172.564.70000114.6K17 A76K17-S72 WeakPolarHBondContact CE-OG 3.34Å; K17-S72 PolarHBondContact NZ-OG 3.35Å; S72-A76 WeakPolarHBondContact O-CB 3.35Å; S72-A76 PolarHBondContact O-N 3.14Å
73N97.1Very high97.1Very high41 Ų4151.2 Ų51.222%0.21928%0.278CS..Hα-helixtrans-70.3-41.6177.2-66.9-24000111.7K17 E71 A76 H77 V99 D103K17-N73 PolarHBondContact NZ-OD1 3.41Å; E71-N73 VanDerWaalsContact C-N 3.31Å; E71-N73 PolarHBondContact O-N 3.42Å; N73-A76 PolarHBondContact O-N 2.93Å; N73-H77 VanDerWaalsContact O-CB 3.29Å; N73-H77 WeakPolarHBondContact O-CB 3.44Å; N73-H77 PolarHBondContact O-N 2.97Å; N73-V99 HydrophobicContact CB-CG1 4.09Å; N73-V99 VanDerWaalsContact CG-CG1 3.48Å; N73-V99 WeakPolarHBondContact ND2-CG1 3.36Å; N73-D103 PolarHBondContact ND2-OD2 3.28Å
74A98Very high97.1Very high39 Ų3951.1 Ų51.132%0.32228%0.277SS..Hα-helixtrans-63.9-44178.200000110.7L69 E71 H77 Y78L69-A74 HydrophobicContact CD1-CB 4.15Å; L69-A74 HydrophobicContact CD2-CB 4.27Å; L69-A74 HydrophobicContact CG-CB 4.29Å; E71-A74 HydrophobicContact CB-CB 4.22Å; E71-A74 PolarHBondContact O-N 3.31Å; E71-A74 VanDerWaalsContact O-N 3.1Å; A74-H77 PolarHBondContact O-N 2.9Å; A74-Y78 WeakPolarHBondContact O-CB 3.36Å; A74-Y78 PolarHBondContact O-N 2.85Å
75I98.6Very high97.1Very high0 Ų049.4 Ų49.40%026%0.263CS..Hα-helixtrans-62.2-47.9176.1-58.3166.1000110.7L6 A18 P59 Y61 L69 E71 H77 Y78 L79L6-I75 HydrophobicContact CD1-CD1 4.3Å; L6-I75 HydrophobicContact CD1-CG2 3.87Å; A18-I75 HydrophobicContact CB-CB 4.49Å; A18-I75 HydrophobicContact CB-CG2 3.82Å; P59-I75 HydrophobicContact CB-CD1 4.22Å; P59-I75 HydrophobicContact CG-CD1 4.38Å; P59-I75 WeakPolarHBondContact O-CD1 3.32Å; Y61-I75 HydrophobicContact CG-CG2 4.22Å; L69-I75 HydrophobicContact CB-CG1 4.35Å; L69-I75 HydrophobicContact CD2-CG1 4.18Å; L69-I75 HydrophobicContact CG-CG1 4Å; E71-I75 WeakPolarHBondContact O-CG1 3.43Å; E71-I75 PolarHBondContact O-N 3.02Å; I75-H77 VanDerWaalsContact C-N 3.3Å; I75-H77 PolarHBondContact O-N 3.33Å; I75-Y78 PolarHBondContact O-N 3.27Å; I75-L79 HydrophobicContact CG2-CD1 3.99Å; I75-L79 HydrophobicContact CG2-CG 4.38Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.34Å
76A98.6Very high97.2Very high1 Ų144.3 Ų44.31%0.00824%0.239CC..Hα-helixtrans-61.4-39.5177.600000112K17 A18 S72 N73 S80 L159K17-A76 HydrophobicContact CB-CB 3.99Å; A18-A76 HydrophobicContact CB-CB 4.36Å; S72-A76 WeakPolarHBondContact O-CB 3.35Å; S72-A76 PolarHBondContact O-N 3.14Å; N73-A76 PolarHBondContact O-N 2.93Å; A76-S80 WeakPolarHBondContact O-CB 3.32Å; A76-S80 PolarHBondContact O-N 2.75Å; A76-S80 VanDerWaalsContact O-N 3.14Å; A76-S80 PolarHBondContact O-OG 3.09Å; A76-L159 HydrophobicContact CB-CD2 3.92Å
77H98.4Very high97Very high97 Ų9746.3 Ų46.345%0.44925%0.252SS..Hα-helixtrans-63.8-46.3174.5-176.4-84.8000112.2N73 A74 I75 L79 S80 R85 L159N73-H77 VanDerWaalsContact O-CB 3.29Å; N73-H77 WeakPolarHBondContact O-CB 3.44Å; N73-H77 PolarHBondContact O-N 2.97Å; A74-H77 PolarHBondContact O-N 2.9Å; I75-H77 VanDerWaalsContact C-N 3.3Å; I75-H77 PolarHBondContact O-N 3.33Å; H77-L79 PolarHBondContact O-N 2.94Å; H77-S80 WeakPolarHBondContact O-CB 3.34Å; H77-S80 PolarHBondContact O-N 3.3Å; H77-R85 WeakPolarHBondContact NE2-CD 3.28Å; H77-R85 VanDerWaalsContact O-CZ 3.31Å; H77-R85 PolarHBondContact O-NE 2.98Å; H77-R85 PolarHBondContact O-NH2 3.1Å; H77-L159 HydrophobicContact CB-CD1 4.24Å
78Y98.3Very high97Very high78 Ų7845.5 Ų45.531%0.30625%0.254SS..Hα-helixtrans-61.7-42.2179.3-177.9-100.6000112.2A2 Y61 F67 L69 A74 I75 S80 R85A2-Y78 HydrophobicContact CB-CD1 4.22Å; A2-Y78 HydrophobicContact CB-CE1 3.69Å; Y61-Y78 HydrophobicContact CD1-CD1 4.38Å; Y61-Y78 HydrophobicContact CD1-CE1 4.45Å; Y61-Y78 AromaticContact CE1-CD1 3.88Å; Y61-Y78 HydrophobicContact CE1-CD1 3.88Å; Y61-Y78 AromaticContact CE1-CE1 3.59Å; Y61-Y78 HydrophobicContact CE1-CE1 3.59Å; F67-Y78 HydrophobicContact CD1-CE1 4.13Å; F67-Y78 HydrophobicContact CD1-CE2 4.1Å; F67-Y78 AromaticContact CD1-CZ 3.76Å; F67-Y78 HydrophobicContact CE1-CD1 4.4Å; F67-Y78 AromaticContact CE1-CD2 3.98Å; F67-Y78 HydrophobicContact CE1-CD2 3.98Å; F67-Y78 HydrophobicContact CE1-CE1 4.16Å; F67-Y78 AromaticContact CE1-CE2 3.7Å; F67-Y78 HydrophobicContact CE1-CE2 3.7Å; F67-Y78 HydrophobicContact CE1-CG 4.33Å; F67-Y78 AromaticContact CE1-CZ 3.8Å; F67-Y78 HydrophobicContact CZ-CE2 4.49Å; L69-Y78 HydrophobicContact CD2-CG 4.03Å; A74-Y78 WeakPolarHBondContact O-CB 3.36Å; A74-Y78 PolarHBondContact O-N 2.85Å; I75-Y78 PolarHBondContact O-N 3.27Å; Y78-S80 VanDerWaalsContact C-N 3.27Å; Y78-S80 PolarHBondContact O-N 2.96Å; Y78-R85 PolarHBondContact O-NH2 3.08Å
79L97.9Very high97Very high2 Ų248.9 Ų48.91%0.0128%0.275CS..Hα-helixtrans-77.9-7.3178.1-62.7-179.1000114.2A2 A18 S25 A27 L29 Y61 I75 H77A2-L79 HydrophobicContact CB-CD2 3.62Å; A18-L79 HydrophobicContact CB-CD1 4.03Å; S25-L79 WeakPolarHBondContact CB-O 3.45Å; S25-L79 PolarHBondContact OG-O 3.25Å; A27-L79 HydrophobicContact CB-CB 4.49Å; A27-L79 HydrophobicContact CB-CD2 4.17Å; L29-L79 HydrophobicContact CD1-CD1 3.61Å; L29-L79 HydrophobicContact CD1-CD2 4.39Å; L29-L79 HydrophobicContact CD2-CD1 3.82Å; L29-L79 HydrophobicContact CG-CD1 4.3Å; Y61-L79 HydrophobicContact CE2-CD2 3.96Å; I75-L79 HydrophobicContact CG2-CD1 3.99Å; I75-L79 HydrophobicContact CG2-CG 4.38Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.34Å; H77-L79 PolarHBondContact O-N 2.94Å
80S97.8Very high97Very high6 Ų653.7 Ų53.74%0.04230%0.297CS..  trans-80.9161.3179.1-71.20000113.3A21 A76 H77 Y78 R85 L159A21-S80 WeakPolarHBondContact CB-OG 3.49Å; A76-S80 WeakPolarHBondContact O-CB 3.32Å; A76-S80 PolarHBondContact O-N 2.75Å; A76-S80 VanDerWaalsContact O-N 3.14Å; A76-S80 PolarHBondContact O-OG 3.09Å; H77-S80 WeakPolarHBondContact O-CB 3.34Å; H77-S80 PolarHBondContact O-N 3.3Å; Y78-S80 VanDerWaalsContact C-N 3.27Å; Y78-S80 PolarHBondContact O-N 2.96Å; S80-R85 PolarHBondContact O-NH2 3.46Å; S80-L159 WeakPolarHBondContact OG-CD1 3.09Å; S80-L159 WeakPolarHBondContact OG-CD2 3.49Å; S80-L159 WeakPolarHBondContact OG-CG 3.31Å
81N96.4Very high97.1Very high50 Ų5050.2 Ų50.227%0.26729%0.285SS..  trans-95.9175.2165.362.520.5000111Y24 A83 L84 R85Y24-N81 PolarHBondContact O-ND2 2.77Å; N81-A83 PolarHBondContact O-N 2.83Å; N81-A83 PolarHBondContact OD1-N 2.89Å; N81-L84 PolarHBondContact O-N 3.06Å; N81-L84 VanDerWaalsContact O-N 3.11Å; N81-L84 PolarHBondContact OD1-N 3.04Å; N81-R85 WeakPolarHBondContact O-CG 3.14Å; N81-R85 PolarHBondContact O-N 2.8Å; N81-R85 VanDerWaalsContact O-N 3.07Å
82D95.6Very high97.3Very high110 Ų11047.4 Ų47.459%0.58828%0.278SS*.Hα-helixtrans-63.7-30.8-176.3-61.2-19.2000113L84 R85 G86 A87D82-L84 PolarHBondContact O-N 3.09Å; D82-R85 PolarHBondContact O-N 3.24Å; D82-R85 IonicContact OD1-NH1 3.48Å; D82-R85 PolarHBondContact OD1-NH1 3.31Å; D82-G86 CarbonylContact O-C 3.56Å; D82-G86 PolarHBondContact O-N 3.11Å; D82-A87 PolarHBondContact O-N 2.9Å
83A95.6Very high97.4Very high25 Ų2549.6 Ų49.621%0.20730%0.297CS..Hα-helixtrans-62.1-42.3174.300000112.4N81 R156N81-A83 PolarHBondContact O-N 2.83Å; N81-A83 PolarHBondContact OD1-N 2.89Å; A83-R156 VanDerWaalsContact CB-CZ 3.44Å; A83-R156 VanDerWaalsContact CB-NH2 3.34Å
84L98.1Very high97.5Very high4 Ų451.9 Ų51.92%0.02131%0.306CS..Hα-helixtrans-72.7-32.8177.2-77.4-171.8000113A21 Y24 N81 D82 G86 V157 L159 I162A21-L84 HydrophobicContact CB-CD1 4.11Å; Y24-L84 HydrophobicContact CD2-CD2 4.43Å; Y24-L84 HydrophobicContact CG-CD1 4.38Å; Y24-L84 HydrophobicContact CG-CD2 4.28Å; N81-L84 PolarHBondContact O-N 3.06Å; N81-L84 VanDerWaalsContact O-N 3.11Å; N81-L84 PolarHBondContact OD1-N 3.04Å; D82-L84 PolarHBondContact O-N 3.09Å; L84-G86 VanDerWaalsContact C-N 3.33Å; L84-V157 HydrophobicContact CD2-CG1 4.18Å; L84-V157 WeakPolarHBondContact CD2-O 3.32Å; L84-L159 HydrophobicContact CB-CG 4.27Å; L84-L159 PolarHBondContact O-N 2.95Å; L84-I162 HydrophobicContact CD1-CD1 4Å; L84-I162 HydrophobicContact CD2-CD1 3.89Å
85R98.2Very high97.5Very high63 Ų6350.3 Ų50.324%0.23829%0.293CS..Hα-helixtrans-77-20.8178.4-65.2173.3-175.4149.6-2.5113.2H77 Y78 S80 N81 D82 A92 L159H77-R85 WeakPolarHBondContact NE2-CD 3.28Å; H77-R85 VanDerWaalsContact O-CZ 3.31Å; H77-R85 PolarHBondContact O-NE 2.98Å; H77-R85 PolarHBondContact O-NH2 3.1Å; Y78-R85 PolarHBondContact O-NH2 3.08Å; S80-R85 PolarHBondContact O-NH2 3.46Å; N81-R85 WeakPolarHBondContact O-CG 3.14Å; N81-R85 PolarHBondContact O-N 2.8Å; N81-R85 VanDerWaalsContact O-N 3.07Å; D82-R85 PolarHBondContact O-N 3.24Å; D82-R85 IonicContact OD1-NH1 3.48Å; D82-R85 PolarHBondContact OD1-NH1 3.31Å; R85-A92 VanDerWaalsContact O-CA 3.31Å; R85-A92 WeakPolarHBondContact O-CA 3.26Å; R85-L159 HydrophobicContact CG-CD1 4.37Å
86G96.6Very high97.5Very high15 Ų1555.6 Ų55.616%0.15532%0.32CS..  trans98.9113.4-172.600000110.7D82 L84 T88D82-G86 CarbonylContact O-C 3.56Å; D82-G86 PolarHBondContact O-N 3.11Å; L84-G86 VanDerWaalsContact C-N 3.33Å; G86-T88 PolarHBondContact O-N 3.49Å
87A92.8Very high97.5Very high87 Ų8761 Ų6172%0.71935%0.345SS*.SBendtrans-75-8.9-173.400000114.5D82D82-A87 PolarHBondContact O-N 2.9Å
88T96.6Very high97.5Very high68 Ų6856.9 Ų56.942%0.41733%0.326SS..SBendtrans-125.1156176.267.70000110G86 Q90 A91 A92G86-T88 PolarHBondContact O-N 3.49Å; T88-Q90 PolarHBondContact O-N 3.35Å; T88-A91 PolarHBondContact O-N 3.46Å; T88-A91 VanDerWaalsContact O-N 3.09Å; T88-A91 WeakPolarHBondContact OG1-CB 3.38Å; T88-A91 PolarHBondContact OG1-N 2.86Å; T88-A91 VanDerWaalsContact OG1-N 3.15Å; T88-A92 WeakPolarHBondContact O-CB 3.19Å; T88-A92 PolarHBondContact O-N 3.24Å
89P97.7Very high97.5Very high107 Ų10753.9 Ų53.970%0.69532%0.316SS*.Hα-helixtrans-53.8-38.9176.6-27.435.6000113.1A93P89-A93 WeakPolarHBondContact O-CB 3.38Å; P89-A93 PolarHBondContact O-N 3.25Å
90Q98.3Very high97.5Very high134 Ų13456.6 Ų56.663%0.62634%0.335SS*.Hα-helixtrans-67.1-44.9177.8-63.880.5-1.600111.6T88 A93 Q94T88-Q90 PolarHBondContact O-N 3.35Å; Q90-A93 PolarHBondContact O-N 3.29Å; Q90-Q94 WeakPolarHBondContact O-CG 2.86Å; Q90-Q94 PolarHBondContact O-N 2.93Å
91A98Very high97.5Very high18 Ų1858.1 Ų58.115%0.14934%0.341CS..Hα-helixtrans-65.4-41.7177.300000111.3T88 A93 Q94 V95 V153T88-A91 PolarHBondContact O-N 3.46Å; T88-A91 VanDerWaalsContact O-N 3.09Å; T88-A91 WeakPolarHBondContact OG1-CB 3.38Å; T88-A91 PolarHBondContact OG1-N 2.86Å; T88-A91 VanDerWaalsContact OG1-N 3.15Å; A91-A93 PolarHBondContact O-N 2.88Å; A91-Q94 PolarHBondContact O-N 3.36Å; A91-V95 WeakPolarHBondContact O-CG2 3.13Å; A91-V95 PolarHBondContact O-N 2.75Å; A91-V153 HydrophobicContact CB-CG1 4.15Å
92A98.4Very high97.5Very high38 Ų3855.7 Ų55.731%0.31433%0.328SS..Hα-helixtrans-62.6-41.5176.800000112.2R85 T88 V95 L96R85-A92 VanDerWaalsContact O-CA 3.31Å; R85-A92 WeakPolarHBondContact O-CA 3.26Å; T88-A92 WeakPolarHBondContact O-CB 3.19Å; T88-A92 PolarHBondContact O-N 3.24Å; A92-V95 PolarHBondContact O-N 3.43Å; A92-L96 PolarHBondContact O-N 2.84Å
93A98.6Very high97Very high58 Ų5853.5 Ų53.548%0.47932%0.316SS..Hα-helixtrans-62.9-41.317400000112.2P89 Q90 A91 L96 Q97P89-A93 WeakPolarHBondContact O-CB 3.38Å; P89-A93 PolarHBondContact O-N 3.25Å; Q90-A93 PolarHBondContact O-N 3.29Å; A91-A93 PolarHBondContact O-N 2.88Å; A93-L96 PolarHBondContact O-N 3.45Å; A93-Q97 WeakPolarHBondContact O-CB 3.1Å; A93-Q97 PolarHBondContact O-N 3.14Å
94Q98.6Very high96.5Very high90 Ų9055.3 Ų55.342%0.42133%0.327SS..Hα-helixtrans-66.7-37.6175.6-72.6176.9-32.200112.4Q90 A91 Q97 W98 V153Q90-Q94 WeakPolarHBondContact O-CG 2.86Å; Q90-Q94 PolarHBondContact O-N 2.93Å; A91-Q94 PolarHBondContact O-N 3.36Å; Q94-Q97 WeakPolarHBondContact O-CB 3.1Å; Q94-Q97 PolarHBondContact O-N 3.27Å; Q94-W98 PolarHBondContact O-N 3.21Å; Q94-W98 VanDerWaalsContact O-N 3.14Å; Q94-V153 HydrophobicContact CB-CG1 4.02Å; Q94-V153 HydrophobicContact CB-CG2 3.85Å
95V98.8Very high96.3Very high6 Ų660 Ų604%0.03635%0.349CS..Hα-helixtrans-59.9-49.2172.9166.90000110.1A91 A92 Q97 W98 V99 V153 L159A91-V95 WeakPolarHBondContact O-CG2 3.13Å; A91-V95 PolarHBondContact O-N 2.75Å; A92-V95 PolarHBondContact O-N 3.43Å; V95-Q97 VanDerWaalsContact C-N 3.31Å; V95-Q97 PolarHBondContact O-N 3.48Å; V95-W98 PolarHBondContact O-N 3.26Å; V95-V99 HydrophobicContact CG1-CG2 4.43Å; V95-V99 VanDerWaalsContact O-CG2 3.32Å; V95-V99 WeakPolarHBondContact O-CG2 3.38Å; V95-V99 PolarHBondContact O-N 2.95Å; V95-V153 HydrophobicContact CG2-CB 4.32Å; V95-V153 HydrophobicContact CG2-CG1 4.22Å; V95-V153 HydrophobicContact CG2-CG2 4.2Å; V95-L159 HydrophobicContact CG1-CB 3.68Å
96L98.5Very high96.2Very high110 Ų11057.1 Ų57.158%0.57634%0.338SS*.Hα-helixtrans-60.5-40.7177.2-177.561.3000112A92 A93 W98 V99 S100A92-L96 PolarHBondContact O-N 2.84Å; A93-L96 PolarHBondContact O-N 3.45Å; L96-W98 PolarHBondContact O-N 2.67Å; L96-V99 PolarHBondContact O-N 3.03Å; L96-S100 WeakPolarHBondContact O-CB 3.38Å; L96-S100 PolarHBondContact O-N 3.09Å; L96-S100 PolarHBondContact O-OG 3.15Å
97Q98.7Very high96Very high115 Ų11557.2 Ų57.254%0.53734%0.335SS..Hα-helixtrans-55.2-49.6176.2-177.7-169.3-63.700111.5A93 Q94 V95 S100 F101A93-Q97 WeakPolarHBondContact O-CB 3.1Å; A93-Q97 PolarHBondContact O-N 3.14Å; Q94-Q97 WeakPolarHBondContact O-CB 3.1Å; Q94-Q97 PolarHBondContact O-N 3.27Å; V95-Q97 VanDerWaalsContact C-N 3.31Å; V95-Q97 PolarHBondContact O-N 3.48Å; Q97-S100 PolarHBondContact O-N 3.41Å; Q97-F101 VanDerWaalsContact O-CB 3.29Å; Q97-F101 WeakPolarHBondContact O-CB 3.08Å; Q97-F101 PolarHBondContact O-N 3.26Å
98W98.8Very high96Very high10 Ų1056.5 Ų56.54%0.03832%0.323CS..Hα-helixtrans-72-32.2-178.7-72.4115.6000113.4Q94 V95 L96 F101 A102 V141 L142 H145 L152 A160 V164Q94-W98 PolarHBondContact O-N 3.21Å; Q94-W98 VanDerWaalsContact O-N 3.14Å; V95-W98 PolarHBondContact O-N 3.26Å; L96-W98 PolarHBondContact O-N 2.67Å; W98-F101 HydrophobicContact CE3-CB 4.26Å; W98-F101 AromaticContact CE3-CD1 3.81Å; W98-F101 HydrophobicContact CE3-CD1 3.81Å; W98-F101 HydrophobicContact CE3-CE1 4.43Å; W98-F101 HydrophobicContact CE3-CG 4.13Å; W98-F101 AromaticContact CZ3-CD1 3.84Å; W98-F101 HydrophobicContact CZ3-CD1 3.84Å; W98-F101 HydrophobicContact CZ3-CE1 4.03Å; W98-F101 HydrophobicContact CZ3-CG 4.2Å; W98-A102 PolarHBondContact O-N 3.19Å; W98-V141 HydrophobicContact CH2-CG1 4.43Å; W98-L142 HydrophobicContact CE3-CD2 4.06Å; W98-L142 HydrophobicContact CH2-CD2 4.03Å; W98-L142 HydrophobicContact CZ3-CD2 3.48Å; W98-L142 VanDerWaalsContact CZ3-CD2 3.48Å; W98-H145 AromaticContact CE2-NE2 3.92Å; W98-H145 HydrophobicContact CH2-CB 4.19Å; W98-H145 HydrophobicContact CZ2-CB 4.24Å; W98-H145 AromaticContact CZ2-CD2 3.39Å; W98-H145 WeakPolarHBondContact CZ2-CD2 3.29Å; W98-H145 AromaticContact CZ2-CE1 3.75Å; W98-H145 AromaticContact CZ2-CG 3.55Å; W98-H145 AromaticContact CZ2-ND1 3.81Å; W98-H145 AromaticContact CZ2-NE2 3.52Å; W98-H145 AromaticContact NE1-NE2 3.85Å; W98-L152 HydrophobicContact CB-CD1 4.42Å; W98-L152 HydrophobicContact CD2-CD1 4.24Å; W98-L152 HydrophobicContact CD2-CD2 4.38Å; W98-L152 HydrophobicContact CG-CB 4.35Å; W98-L152 HydrophobicContact CG-CD1 4.18Å; W98-L152 HydrophobicContact CZ2-CD2 4.38Å; W98-A160 HydrophobicContact CB-CB 3.52Å; W98-A160 HydrophobicContact CG-CB 3.96Å; W98-V164 HydrophobicContact CB-CG2 4.23Å
99V98.4Very high95.6Very high15 Ų1553.9 Ų53.99%0.09131%0.307CS..Hα-helixtrans-62.1-49.2171.5169.30000110.2N73 V95 L96 A102 D103 T163N73-V99 HydrophobicContact CB-CG1 4.09Å; N73-V99 VanDerWaalsContact CG-CG1 3.48Å; N73-V99 WeakPolarHBondContact ND2-CG1 3.36Å; V95-V99 HydrophobicContact CG1-CG2 4.43Å; V95-V99 VanDerWaalsContact O-CG2 3.32Å; V95-V99 WeakPolarHBondContact O-CG2 3.38Å; V95-V99 PolarHBondContact O-N 2.95Å; L96-V99 PolarHBondContact O-N 3.03Å; V99-A102 WeakPolarHBondContact O-CB 3.35Å; V99-A102 PolarHBondContact O-N 3.43Å; V99-D103 PolarHBondContact O-N 2.96Å; V99-T163 HydrophobicContact CB-CG2 4.42Å; V99-T163 HydrophobicContact CG1-CG2 4.34Å; V99-T163 HydrophobicContact CG2-CG2 4.22Å
100S96.4Very high95.4Very high60 Ų6049.2 Ų49.242%0.4228%0.278SS..Hα-helixtrans-65.3-39.1177.4-62.70000112.5L96 Q97 A102 D103 S104L96-S100 WeakPolarHBondContact O-CB 3.38Å; L96-S100 PolarHBondContact O-N 3.09Å; L96-S100 PolarHBondContact O-OG 3.15Å; Q97-S100 PolarHBondContact O-N 3.41Å; S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.26Å; S100-D103 PolarHBondContact O-N 3.44Å; S100-S104 PolarHBondContact O-N 2.91Å; S100-S104 PolarHBondContact O-OG 3.35Å
101F98.1Very high94.7Very high37 Ų3743.9 Ų43.916%0.16226%0.255CS..Hα-helixtrans-60-40174.5178.8-95.6000111.6Q97 W98 E105 I106 V138 V141 L142Q97-F101 VanDerWaalsContact O-CB 3.29Å; Q97-F101 WeakPolarHBondContact O-CB 3.08Å; Q97-F101 PolarHBondContact O-N 3.26Å; W98-F101 HydrophobicContact CE3-CB 4.26Å; W98-F101 AromaticContact CE3-CD1 3.81Å; W98-F101 HydrophobicContact CE3-CD1 3.81Å; W98-F101 HydrophobicContact CE3-CE1 4.43Å; W98-F101 HydrophobicContact CE3-CG 4.13Å; W98-F101 AromaticContact CZ3-CD1 3.84Å; W98-F101 HydrophobicContact CZ3-CD1 3.84Å; W98-F101 HydrophobicContact CZ3-CE1 4.03Å; W98-F101 HydrophobicContact CZ3-CG 4.2Å; F101-E105 HydrophobicContact CD2-CB 3.97Å; F101-E105 HydrophobicContact CD2-CG 3.63Å; F101-E105 HydrophobicContact CE1-CB 4.48Å; F101-E105 HydrophobicContact CE2-CB 3.78Å; F101-E105 HydrophobicContact CE2-CG 3.68Å; F101-E105 HydrophobicContact CG-CB 4.4Å; F101-E105 HydrophobicContact CG-CG 4.36Å; F101-E105 HydrophobicContact CZ-CB 4.06Å; F101-E105 HydrophobicContact CZ-CG 4.46Å; F101-E105 WeakPolarHBondContact O-CA 3.44Å; F101-E105 WeakPolarHBondContact O-CB 3.22Å; F101-E105 PolarHBondContact O-N 3.32Å; F101-I106 HydrophobicContact CD1-CD1 3.98Å; F101-I106 HydrophobicContact CD1-CG1 4.11Å; F101-I106 HydrophobicContact CE1-CD1 3.89Å; F101-I106 HydrophobicContact CE1-CG1 3.93Å; F101-I106 PolarHBondContact O-N 2.92Å; F101-V138 HydrophobicContact CE1-CG1 4.1Å; F101-V138 HydrophobicContact CZ-CB 4.49Å; F101-V138 HydrophobicContact CZ-CG1 4.27Å; F101-V138 HydrophobicContact CZ-CG2 4.21Å; F101-V141 HydrophobicContact CE2-CG1 4.37Å; F101-V141 HydrophobicContact CZ-CB 4.41Å; F101-V141 HydrophobicContact CZ-CG1 4.2Å; F101-L142 HydrophobicContact CE1-CD2 4.36Å; F101-L142 HydrophobicContact CE1-CG 4.35Å
102A96.6Very high94.1Very high0 Ų044.6 Ų44.60%026%0.261CS..Iπ-helixtrans-61.3-46.2175.500000112W98 V99 S100 I106 I107 T163 V164W98-A102 PolarHBondContact O-N 3.19Å; V99-A102 WeakPolarHBondContact O-CB 3.35Å; V99-A102 PolarHBondContact O-N 3.43Å; S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.26Å; A102-I106 HydrophobicContact CB-CD1 4.26Å; A102-I106 WeakPolarHBondContact O-CB 3.43Å; A102-I106 PolarHBondContact O-N 3.26Å; A102-I107 WeakPolarHBondContact O-CD1 3.46Å; A102-I107 WeakPolarHBondContact O-CG1 3.36Å; A102-I107 PolarHBondContact O-N 2.76Å; A102-T163 HydrophobicContact CB-CG2 3.83Å; A102-V164 HydrophobicContact CB-CG2 4.26Å
103D85.8Confident93.8Very high64 Ų6443.1 Ų43.134%0.34225%0.248SC..Iπ-helixtrans-67.9-36.9-178.6-73.2-16.8000113.6N73 V99 S100 I107 P108N73-D103 PolarHBondContact ND2-OD2 3.28Å; V99-D103 PolarHBondContact O-N 2.96Å; S100-D103 PolarHBondContact O-N 3.44Å; D103-I107 HydrophobicContact CB-CD1 4.44Å; D103-I107 WeakPolarHBondContact OD1-CD1 3.48Å; D103-P108 WeakPolarHBondContact O-CD 3.18Å
104S84.9Confident93.4Very high63 Ų6340.5 Ų40.544%0.44123%0.226SC..Iπ-helixtrans-88.3-43.5-176.347.10000113.3S100 P108S100-S104 PolarHBondContact O-N 2.91Å; S100-S104 PolarHBondContact O-OG 3.35Å; S104-P108 WeakPolarHBondContact O-CG 3.44Å
105E94Very high92.8Very high102 Ų10238.4 Ų38.448%0.47722%0.215SC..Iπ-helixtrans-106.2-27.4-167.7-54.7-57.6142.500113F101 P109 V138F101-E105 HydrophobicContact CD2-CB 3.97Å; F101-E105 HydrophobicContact CD2-CG 3.63Å; F101-E105 HydrophobicContact CE1-CB 4.48Å; F101-E105 HydrophobicContact CE2-CB 3.78Å; F101-E105 HydrophobicContact CE2-CG 3.68Å; F101-E105 HydrophobicContact CG-CB 4.4Å; F101-E105 HydrophobicContact CG-CG 4.36Å; F101-E105 HydrophobicContact CZ-CB 4.06Å; F101-E105 HydrophobicContact CZ-CG 4.46Å; F101-E105 WeakPolarHBondContact O-CA 3.44Å; F101-E105 WeakPolarHBondContact O-CB 3.22Å; F101-E105 PolarHBondContact O-N 3.32Å; E105-P109 WeakPolarHBondContact O-CD 3.31Å; E105-P109 WeakPolarHBondContact O-CG 3.49Å; E105-V138 HydrophobicContact CB-CG2 4.01Å; E105-V138 VanDerWaalsContact O-CG2 3.27Å; E105-V138 WeakPolarHBondContact O-CG2 3.41Å
106I95.8Very high92.1Very high2 Ų238.3 Ų38.31%0.0122%0.215CC..Iπ-helixtrans-97.1-53.4-175.5-50.8-173.1000111.3F101 A102 P109 A110 V138 L142 V164 M168F101-I106 HydrophobicContact CD1-CD1 3.98Å; F101-I106 HydrophobicContact CD1-CG1 4.11Å; F101-I106 HydrophobicContact CE1-CD1 3.89Å; F101-I106 HydrophobicContact CE1-CG1 3.93Å; F101-I106 PolarHBondContact O-N 2.92Å; A102-I106 HydrophobicContact CB-CD1 4.26Å; A102-I106 WeakPolarHBondContact O-CB 3.43Å; A102-I106 PolarHBondContact O-N 3.26Å; I106-P109 VanDerWaalsContact O-CD 3.27Å; I106-P109 WeakPolarHBondContact O-CD 3.24Å; I106-P109 WeakPolarHBondContact O-CG 3.42Å; I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 3.43Å; I106-V138 HydrophobicContact CD1-CG1 4.02Å; I106-V138 HydrophobicContact CG1-CG1 3.7Å; I106-V138 HydrophobicContact CG1-CG2 4.34Å; I106-L142 HydrophobicContact CD1-CD1 4.44Å; I106-V164 HydrophobicContact CD1-CG1 3.71Å; I106-V164 HydrophobicContact CD1-CG2 4.5Å; I106-M168 HydrophobicContact CD1-CG 4.3Å; I106-M168 HydrophobicContact CD1-SD 4.39Å; I106-M168 HydrophobicContact CG2-CG 3.76Å
107I91.6Very high91.4Very high18 Ų1833.5 Ų33.59%0.09219%0.19CC..Hα-helixtrans-63.4-43.3-168.7-73.4157.1000113W13 A102 D103 S111W13-I107 HydrophobicContact CH2-CB 4.37Å; W13-I107 HydrophobicContact CH2-CD1 3.24Å; W13-I107 HydrophobicContact CH2-CG1 3.45Å; W13-I107 VanDerWaalsContact CH2-CG1 3.45Å; W13-I107 HydrophobicContact CH2-CG2 3.97Å; W13-I107 HydrophobicContact CZ2-CD1 4.3Å; W13-I107 HydrophobicContact CZ2-CG1 4.09Å; W13-I107 HydrophobicContact CZ2-CG2 4.01Å; W13-I107 HydrophobicContact CZ3-CD1 3.62Å; W13-I107 HydrophobicContact CZ3-CG1 3.99Å; A102-I107 WeakPolarHBondContact O-CD1 3.46Å; A102-I107 WeakPolarHBondContact O-CG1 3.36Å; A102-I107 PolarHBondContact O-N 2.76Å; D103-I107 HydrophobicContact CB-CD1 4.44Å; D103-I107 WeakPolarHBondContact OD1-CD1 3.48Å; I107-S111 VanDerWaalsContact O-CB 3.3Å; I107-S111 WeakPolarHBondContact O-CB 3.43Å; I107-S111 PolarHBondContact O-N 3.16Å; I107-S111 PolarHBondContact O-OG 2.94Å
108P92.7Very high90.6Very high71 Ų7129.1 Ų29.146%0.46117%0.17SC..Hα-helixtrans-61-55178.7-22.833.7000113.4D103 S104 A110 S111 A112D103-P108 WeakPolarHBondContact O-CD 3.18Å; S104-P108 WeakPolarHBondContact O-CG 3.44Å; P108-A110 PolarHBondContact O-N 3.47Å; P108-S111 PolarHBondContact O-N 3.2Å; P108-A112 PolarHBondContact O-N 2.9Å
109P89.6Confident89.4Confident13 Ų1328.7 Ų28.78%0.08417%0.169CC..Hα-helixtrans-70.4-32.317929.6-36.3000112.4E105 I106 S111 A112 W113 A131 D134 V135E105-P109 WeakPolarHBondContact O-CD 3.31Å; E105-P109 WeakPolarHBondContact O-CG 3.49Å; I106-P109 VanDerWaalsContact O-CD 3.27Å; I106-P109 WeakPolarHBondContact O-CD 3.24Å; I106-P109 WeakPolarHBondContact O-CG 3.42Å; P109-S111 VanDerWaalsContact C-N 3.32Å; P109-S111 PolarHBondContact O-N 3.28Å; P109-A112 PolarHBondContact O-N 2.82Å; P109-W113 WeakPolarHBondContact O-CB 3.1Å; P109-W113 PolarHBondContact O-N 3.11Å; P109-A131 HydrophobicContact CB-CB 4.04Å; P109-A131 WeakPolarHBondContact O-CB 3.33Å; P109-D134 HydrophobicContact CB-CB 3.94Å; P109-D134 HydrophobicContact CG-CB 4.2Å; P109-V135 HydrophobicContact CB-CG2 4.09Å; P109-V135 HydrophobicContact CG-CG2 4.32Å
110A92.2Very high88.3Confident9 Ų931.7 Ų31.77%0.07418%0.184CC..Hα-helixtrans-59.3-44.2172.600000111.8I106 P108 W113 V114 L171I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 3.43Å; P108-A110 PolarHBondContact O-N 3.47Å; A110-W113 PolarHBondContact O-N 3.23Å; A110-V114 WeakPolarHBondContact O-CB 3.45Å; A110-V114 VanDerWaalsContact O-CG2 3.22Å; A110-V114 WeakPolarHBondContact O-CG2 3.46Å; A110-V114 PolarHBondContact O-N 2.86Å; A110-L171 HydrophobicContact CB-CD1 3.71Å; A110-L171 HydrophobicContact CB-CD2 4.27Å; A110-L171 HydrophobicContact CB-CG 3.84Å
111S84.2Confident87.1Confident22 Ų2233.3 Ų33.315%0.15419%0.186CC..Hα-helixtrans-65.9-46.8179.1-56.60000111.2I107 P108 P109 W113 V114 F115I107-S111 VanDerWaalsContact O-CB 3.3Å; I107-S111 WeakPolarHBondContact O-CB 3.43Å; I107-S111 PolarHBondContact O-N 3.16Å; I107-S111 PolarHBondContact O-OG 2.94Å; P108-S111 PolarHBondContact O-N 3.2Å; P109-S111 VanDerWaalsContact C-N 3.32Å; P109-S111 PolarHBondContact O-N 3.28Å; S111-W113 VanDerWaalsContact C-N 3.25Å; S111-W113 PolarHBondContact O-N 3.48Å; S111-V114 PolarHBondContact O-N 3Å; S111-F115 VanDerWaalsContact O-CB 3.22Å; S111-F115 WeakPolarHBondContact O-CB 3.39Å; S111-F115 VanDerWaalsContact O-CG 3.32Å; S111-F115 WeakPolarHBondContact O-CG 3.5Å; S111-F115 PolarHBondContact O-N 2.9Å
112A84.7Confident85.9Confident34 Ų3438.7 Ų38.728%0.28121%0.211SC..Hα-helixtrans-59.4-35179.500000112.9P108 P109 P116 A131P108-A112 PolarHBondContact O-N 2.9Å; P109-A112 PolarHBondContact O-N 2.82Å; A112-P116 WeakPolarHBondContact O-CD 3.49Å; A112-A131 HydrophobicContact CB-CB 3.94Å
113W92.3Very high84.7Confident6 Ų642.8 Ų42.82%0.02323%0.229CC..Hα-helixtrans-85.6-42.2178.9-168.75.3000113.1P109 A110 S111 T128 A131 K132 V135 L171 V175 L176 F180 M213P109-W113 WeakPolarHBondContact O-CB 3.1Å; P109-W113 PolarHBondContact O-N 3.11Å; A110-W113 PolarHBondContact O-N 3.23Å; S111-W113 VanDerWaalsContact C-N 3.25Å; S111-W113 PolarHBondContact O-N 3.48Å; W113-T128 HydrophobicContact CG-CG2 4.24Å; W113-A131 HydrophobicContact CB-CB 4.05Å; W113-K132 HydrophobicContact CD2-CG 3.72Å; W113-K132 HydrophobicContact CE3-CG 3.88Å; W113-K132 HydrophobicContact CG-CG 4.45Å; W113-K132 HydrophobicContact CH2-CG 3.78Å; W113-K132 HydrophobicContact CZ2-CD 4.11Å; W113-K132 HydrophobicContact CZ2-CG 3.57Å; W113-K132 HydrophobicContact CZ3-CB 4.45Å; W113-K132 HydrophobicContact CZ3-CG 3.91Å; W113-V135 HydrophobicContact CE3-CB 4.3Å; W113-V135 HydrophobicContact CE3-CG2 4.07Å; W113-V135 HydrophobicContact CZ3-CB 4.13Å; W113-V135 HydrophobicContact CZ3-CG1 4.01Å; W113-V135 HydrophobicContact CZ3-CG2 4.37Å; W113-L171 HydrophobicContact CD2-CD2 4.46Å; W113-L171 HydrophobicContact CE3-CD2 3.78Å; W113-L171 HydrophobicContact CZ3-CD2 4.24Å; W113-V175 HydrophobicContact CD2-CB 4.16Å; W113-V175 HydrophobicContact CD2-CG2 3.72Å; W113-V175 HydrophobicContact CE3-CG2 3.92Å; W113-V175 HydrophobicContact CG-CG2 4.27Å; W113-V175 HydrophobicContact CH2-CB 4.2Å; W113-V175 HydrophobicContact CH2-CG2 3.99Å; W113-V175 HydrophobicContact CZ2-CB 3.62Å; W113-V175 HydrophobicContact CZ2-CG1 4.48Å; W113-V175 HydrophobicContact CZ2-CG2 3.82Å; W113-V175 HydrophobicContact CZ3-CG2 4.06Å; W113-L176 HydrophobicContact CH2-CD2 4Å; W113-L176 HydrophobicContact CZ3-CD2 3.9Å; W113-F180 HydrophobicContact CH2-CD1 4.26Å; W113-F180 AromaticContact CH2-CD2 3.89Å; W113-F180 HydrophobicContact CH2-CD2 3.89Å; W113-F180 AromaticContact CH2-CE1 3.86Å; W113-F180 HydrophobicContact CH2-CE1 3.86Å; W113-F180 AromaticContact CH2-CE2 3.46Å; W113-F180 HydrophobicContact CH2-CE2 3.46Å; W113-F180 VanDerWaalsContact CH2-CE2 3.46Å; W113-F180 HydrophobicContact CH2-CG 4.27Å; W113-F180 AromaticContact CH2-CZ 3.43Å; W113-F180 HydrophobicContact CH2-CZ 3.43Å; W113-F180 VanDerWaalsContact CH2-CZ 3.43Å; W113-F180 HydrophobicContact CZ2-CE2 4.31Å; W113-F180 AromaticContact CZ3-CE1 3.98Å; W113-F180 HydrophobicContact CZ3-CE1 3.98Å; W113-F180 HydrophobicContact CZ3-CE2 4.09Å; W113-F180 AromaticContact CZ3-CZ 3.6Å; W113-F180 HydrophobicContact CZ3-CZ 3.6Å; W113-M213 HydrophobicContact CH2-CE 4.37Å; W113-M213 HydrophobicContact CZ2-CE 3.72Å; W113-M213 HydrophobicContact CZ2-CG 4.42Å; W113-M213 HydrophobicContact CZ2-SD 3.79Å
114V91.4Very high84.5Confident3 Ų343.5 Ų43.52%0.01823%0.233CC..Hα-helixtrans-81.7-41.9-172170.20000112.6A110 S111 P116 T117 L118 W170 L171 Q174 V175A110-V114 WeakPolarHBondContact O-CB 3.45Å; A110-V114 VanDerWaalsContact O-CG2 3.22Å; A110-V114 WeakPolarHBondContact O-CG2 3.46Å; A110-V114 PolarHBondContact O-N 2.86Å; S111-V114 PolarHBondContact O-N 3Å; V114-P116 VanDerWaalsContact C-N 3.32Å; V114-T117 WeakPolarHBondContact O-CA 3.32Å; V114-T117 WeakPolarHBondContact O-CB 3.45Å; V114-T117 PolarHBondContact O-N 3.27Å; V114-T117 PolarHBondContact O-OG1 3.09Å; V114-L118 HydrophobicContact CG1-CD1 3.77Å; V114-L118 HydrophobicContact CG1-CG 4.1Å; V114-L118 PolarHBondContact O-N 2.94Å; V114-W170 HydrophobicContact CG1-CB 3.73Å; V114-W170 HydrophobicContact CG1-CG 4.39Å; V114-W170 HydrophobicContact CG2-CB 4.31Å; V114-L171 HydrophobicContact CG2-CD2 3.88Å; V114-L171 HydrophobicContact CG2-CG 4.24Å; V114-Q174 HydrophobicContact CG1-CG 4.31Å; V114-V175 HydrophobicContact CG2-CG2 4.24Å
115F85.6Confident84Confident46 Ų4647.7 Ų47.720%0.20224%0.243CC..Hα-helixtrans-58.9-37-171.3-73.75.2000113.5S111 T117 L118 G119 I120 M121S111-F115 VanDerWaalsContact O-CB 3.22Å; S111-F115 WeakPolarHBondContact O-CB 3.39Å; S111-F115 VanDerWaalsContact O-CG 3.32Å; S111-F115 WeakPolarHBondContact O-CG 3.5Å; S111-F115 PolarHBondContact O-N 2.9Å; F115-T117 VanDerWaalsContact C-N 3.35Å; F115-T117 PolarHBondContact O-N 3.01Å; F115-L118 PolarHBondContact O-N 3.44Å; F115-G119 PolarHBondContact O-N 3.49Å; F115-I120 HydrophobicContact CB-CB 4.01Å; F115-I120 HydrophobicContact CB-CG2 4.33Å; F115-I120 HydrophobicContact CD1-CD1 4.11Å; F115-I120 HydrophobicContact CD2-CG2 4.1Å; F115-I120 HydrophobicContact CG-CB 4.3Å; F115-I120 HydrophobicContact CG-CD1 4.33Å; F115-I120 HydrophobicContact CG-CG2 4.24Å; F115-I120 PolarHBondContact O-N 3.28Å; F115-M121 HydrophobicContact CB-CB 4.07Å; F115-M121 HydrophobicContact CB-CG 3.92Å; F115-M121 HydrophobicContact CB-SD 4.01Å; F115-M121 HydrophobicContact CD2-CG 4.16Å; F115-M121 HydrophobicContact CD2-SD 3.72Å; F115-M121 HydrophobicContact CG-SD 4.38Å
116P83Confident83.1Confident4 Ų448.1 Ų48.13%0.02625%0.245CC..Hα-helixtrans-58.9-41.4169.8-26.336.2000113.7A112 V114 L118 G119 M121 F123 F216A112-P116 WeakPolarHBondContact O-CD 3.49Å; V114-P116 VanDerWaalsContact C-N 3.32Å; P116-L118 PolarHBondContact O-N 3.01Å; P116-L118 VanDerWaalsContact O-N 3.16Å; P116-G119 PolarHBondContact O-N 3.28Å; P116-M121 WeakPolarHBondContact CA-O 3.48Å; P116-M121 HydrophobicContact CG-CB 4.44Å; P116-F123 HydrophobicContact CB-CB 4.18Å; P116-F123 HydrophobicContact CB-CD2 4.21Å; P116-F216 HydrophobicContact CB-CD2 4Å; P116-F216 VanDerWaalsContact O-CD2 3.24Å; P116-F216 WeakPolarHBondContact O-CD2 3.48Å
117T84.3Confident82.2Confident10 Ų1050.2 Ų50.26%0.06126%0.263CS..Hα-helixtrans-66.2-19178.677.60000113.5V114 F115 Q174 V175 A214V114-T117 WeakPolarHBondContact O-CA 3.32Å; V114-T117 WeakPolarHBondContact O-CB 3.45Å; V114-T117 PolarHBondContact O-N 3.27Å; V114-T117 PolarHBondContact O-OG1 3.09Å; F115-T117 VanDerWaalsContact C-N 3.35Å; F115-T117 PolarHBondContact O-N 3.01Å; T117-Q174 PolarHBondContact OG1-NE2 3.15Å; T117-Q174 VanDerWaalsContact OG1-NE2 3.15Å; T117-V175 HydrophobicContact CG2-CG1 3.83Å; T117-A214 HydrophobicContact CG2-CB 4.09Å
118L81.6Confident81.8Confident22 Ų2249.6 Ų49.612%0.11526%0.26CS..Hα-helixtrans-94.9-8.5176.4-62.3179.8000112.5V114 F115 P116 I120 W170 Q174 M224V114-L118 HydrophobicContact CG1-CD1 3.77Å; V114-L118 HydrophobicContact CG1-CG 4.1Å; V114-L118 PolarHBondContact O-N 2.94Å; F115-L118 PolarHBondContact O-N 3.44Å; P116-L118 PolarHBondContact O-N 3.01Å; P116-L118 VanDerWaalsContact O-N 3.16Å; L118-I120 VanDerWaalsContact C-N 3.31Å; L118-I120 HydrophobicContact CB-CD1 3.85Å; L118-I120 HydrophobicContact CB-CG1 3.94Å; L118-I120 HydrophobicContact CD1-CD1 3.88Å; L118-W170 HydrophobicContact CD1-CD2 4.32Å; L118-W170 HydrophobicContact CD1-CE3 4.19Å; L118-W170 HydrophobicContact CD1-CZ3 4.37Å; L118-W170 HydrophobicContact CD2-CE3 4.25Å; L118-W170 HydrophobicContact CD2-CH2 4.5Å; L118-W170 HydrophobicContact CD2-CZ3 3.9Å; L118-Q174 HydrophobicContact CD2-CG 4.31Å; L118-M224 WeakPolarHBondContact O-CE 3.47Å
119G75.3Confident81.4Confident1 Ų150.1 Ų50.11%0.0126%0.256CS..THydrogen-bonded Turntrans76.217.3-173.400000113.7F115 P116 F221 M224F115-G119 PolarHBondContact O-N 3.49Å; P116-G119 PolarHBondContact O-N 3.28Å; G119-F221 VanDerWaalsContact O-CD2 3.27Å; G119-F221 WeakPolarHBondContact O-CD2 3.18Å; G119-M224 WeakPolarHBondContact O-CB 3.49Å
120I74.1Confident81.2Confident78 Ų7854.2 Ų54.240%0.427%0.274SS..SBendtrans-82.8-35.2178.5-61.5169000110.9F115 L118 M224F115-I120 HydrophobicContact CB-CB 4.01Å; F115-I120 HydrophobicContact CB-CG2 4.33Å; F115-I120 HydrophobicContact CD1-CD1 4.11Å; F115-I120 HydrophobicContact CD2-CG2 4.1Å; F115-I120 HydrophobicContact CG-CB 4.3Å; F115-I120 HydrophobicContact CG-CD1 4.33Å; F115-I120 HydrophobicContact CG-CG2 4.24Å; F115-I120 PolarHBondContact O-N 3.28Å; L118-I120 VanDerWaalsContact C-N 3.31Å; L118-I120 HydrophobicContact CB-CD1 3.85Å; L118-I120 HydrophobicContact CB-CG1 3.94Å; L118-I120 HydrophobicContact CD1-CD1 3.88Å; I120-M224 HydrophobicContact CB-CE 4.38Å; I120-M224 HydrophobicContact CD1-CE 4.26Å; I120-M224 HydrophobicContact CG1-CE 3.29Å
121M71.3Confident81Confident94 Ų9454 Ų5446%0.46327%0.272SS..SBendtrans-129.2153.9-179.5-71.5-176.37000110.3F115 P116 F221F115-M121 HydrophobicContact CB-CB 4.07Å; F115-M121 HydrophobicContact CB-CG 3.92Å; F115-M121 HydrophobicContact CB-SD 4.01Å; F115-M121 HydrophobicContact CD2-CG 4.16Å; F115-M121 HydrophobicContact CD2-SD 3.72Å; F115-M121 HydrophobicContact CG-SD 4.38Å; P116-M121 WeakPolarHBondContact CA-O 3.48Å; P116-M121 HydrophobicContact CG-CB 4.44Å; M121-F221 VanDerWaalsContact C-CE2 3.46Å
122Q73.1Confident81.5Confident150 Ų15054.6 Ų54.670%0.70127%0.272SS*.  trans-66.6143.1170.2-168.8174.720.200110.1N124 F221Q122-N124 PolarHBondContact O-N 2.77Å; Q122-F221 HydrophobicContact CB-CE2 4.45Å; Q122-F221 HydrophobicContact CB-CZ 4.28Å
123F72.3Confident82.1Confident86 Ų8657 Ų5738%0.37728%0.278SS..  trans-70.1128.2176.1177.5-103.2000111.8P116 K125 T128 F216P116-F123 HydrophobicContact CB-CB 4.18Å; P116-F123 HydrophobicContact CB-CD2 4.21Å; F123-K125 HydrophobicContact CE1-CB 3.94Å; F123-K125 HydrophobicContact CZ-CB 4.18Å; F123-T128 HydrophobicContact CE2-CG2 3.99Å; F123-T128 WeakPolarHBondContact CE2-OG1 3.44Å; F123-F216 HydrophobicContact CB-CB 3.73Å; F123-F216 HydrophobicContact CB-CD1 3.99Å; F123-F216 HydrophobicContact CB-CD2 3.74Å; F123-F216 HydrophobicContact CB-CE2 4.36Å; F123-F216 HydrophobicContact CB-CG 3.54Å; F123-F216 HydrophobicContact CD2-CB 4.17Å; F123-F216 HydrophobicContact CG-CB 4.06Å; F123-F216 HydrophobicContact CG-CG 4.38Å
124N81.5Confident82.1Confident79 Ų7958.8 Ų58.842%0.42229%0.288SS..  trans-122.5119.5168.9179.7-58.9000108.9Q122 Q126 A127 T128Q122-N124 PolarHBondContact O-N 2.77Å; N124-Q126 PolarHBondContact OD1-N 2.87Å; N124-Q126 VanDerWaalsContact OD1-N 3.11Å; N124-A127 HydrophobicContact CB-CB 4Å; N124-A127 WeakPolarHBondContact OD1-CB 3.36Å; N124-A127 PolarHBondContact OD1-N 3.45Å; N124-T128 VanDerWaalsContact O-CB 3.29Å; N124-T128 WeakPolarHBondContact O-CB 3.33Å; N124-T128 PolarHBondContact O-N 3.16Å; N124-T128 PolarHBondContact O-OG1 3.21Å
125K74Confident82.4Confident151 Ų15158.8 Ų58.866%0.65729%0.288SS*.Hα-helixtrans-62.5-49.2-174.8-173.8-179.1176.5-173.20112.2F123 T128 E129F123-K125 HydrophobicContact CE1-CB 3.94Å; F123-K125 HydrophobicContact CZ-CB 4.18Å; K125-T128 PolarHBondContact O-N 3.18Å; K125-E129 WeakPolarHBondContact O-CG 3.44Å; K125-E129 PolarHBondContact O-N 3.22Å
126Q74.9Confident83Confident111 Ų11159.9 Ų59.952%0.51929%0.293SS..Hα-helixtrans-63.9-46.6-177.8-173.1-177.313.500111.5N124 T128 E129 Q130 N414N124-Q126 PolarHBondContact OD1-N 2.87Å; N124-Q126 VanDerWaalsContact OD1-N 3.11Å; Q126-T128 VanDerWaalsContact C-N 3.28Å; Q126-T128 PolarHBondContact O-N 3.11Å; Q126-E129 PolarHBondContact O-N 3.07Å; Q126-Q130 WeakPolarHBondContact O-CB 3.49Å; Q126-Q130 PolarHBondContact O-N 3.46Å; Q126-N414 PolarHBondContact NE2-O 3.13Å
127A76.4Confident83.8Confident46 Ų4665.6 Ų65.638%0.3832%0.317SS..Hα-helixtrans-61.9-38176.600000111.6N124 A131N124-A127 HydrophobicContact CB-CB 4Å; N124-A127 WeakPolarHBondContact OD1-CB 3.36Å; N124-A127 PolarHBondContact OD1-N 3.45Å; A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 3.15Å
128T83.4Confident84.4Confident5 Ų565.5 Ų65.53%0.03132%0.316CS..Hα-helixtrans-68.3-44.6176.9-590000112.1W113 F123 N124 K125 Q126 A131 K132W113-T128 HydrophobicContact CG-CG2 4.24Å; F123-T128 HydrophobicContact CE2-CG2 3.99Å; F123-T128 WeakPolarHBondContact CE2-OG1 3.44Å; N124-T128 VanDerWaalsContact O-CB 3.29Å; N124-T128 WeakPolarHBondContact O-CB 3.33Å; N124-T128 PolarHBondContact O-N 3.16Å; N124-T128 PolarHBondContact O-OG1 3.21Å; K125-T128 PolarHBondContact O-N 3.18Å; Q126-T128 VanDerWaalsContact C-N 3.28Å; Q126-T128 PolarHBondContact O-N 3.11Å; T128-A131 PolarHBondContact O-N 2.86Å; T128-K132 WeakPolarHBondContact O-CG 3.25Å; T128-K132 PolarHBondContact O-N 3.3Å
129E84.5Confident85.3Confident82 Ų8264.6 Ų64.638%0.38331%0.311SS..Hα-helixtrans-65.8-40.9177.6-68.2-51.413400111.6K125 Q126 A131 K132 E133K125-E129 WeakPolarHBondContact O-CG 3.44Å; K125-E129 PolarHBondContact O-N 3.22Å; Q126-E129 PolarHBondContact O-N 3.07Å; E129-A131 VanDerWaalsContact C-N 3.35Å; E129-A131 PolarHBondContact O-N 3.42Å; E129-K132 WeakPolarHBondContact O-CB 3.18Å; E129-K132 PolarHBondContact O-N 3.3Å; E129-K132 IonicContact OE1-NZ 3.76Å; E129-K132 PolarHBondContact OE1-NZ 3.36Å; E129-K132 IonicContact OE2-NZ 3.84Å; E129-E133 PolarHBondContact O-N 3.11Å; E129-E133 VanDerWaalsContact O-N 3.12Å
130Q85.5Confident86.4Confident99 Ų9967.8 Ų67.846%0.46333%0.331SS..Hα-helixtrans-61.4-44.7173.3-175.855.652.800111.5Q126 K132 E133 D134Q126-Q130 WeakPolarHBondContact O-CB 3.49Å; Q126-Q130 PolarHBondContact O-N 3.46Å; Q130-K132 VanDerWaalsContact C-N 3.3Å; Q130-K132 PolarHBondContact O-N 3.25Å; Q130-E133 PolarHBondContact O-N 2.85Å; Q130-E133 VanDerWaalsContact O-N 3.14Å; Q130-D134 VanDerWaalsContact NE2-CG 3.3Å; Q130-D134 PolarHBondContact NE2-OD1 2.96Å; Q130-D134 VanDerWaalsContact NE2-OD1 3.12Å; Q130-D134 PolarHBondContact NE2-OD2 3.17Å; Q130-D134 PolarHBondContact O-N 3.46Å
131A88.1Confident87.5Confident4 Ų467.4 Ų67.43%0.03333%0.332CS..Hα-helixtrans-60.5-37.6176.300000112.6P109 A112 W113 A127 T128 E129 D134 V135P109-A131 HydrophobicContact CB-CB 4.04Å; P109-A131 WeakPolarHBondContact O-CB 3.33Å; A112-A131 HydrophobicContact CB-CB 3.94Å; W113-A131 HydrophobicContact CB-CB 4.05Å; A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 3.15Å; T128-A131 PolarHBondContact O-N 2.86Å; E129-A131 VanDerWaalsContact C-N 3.35Å; E129-A131 PolarHBondContact O-N 3.42Å; A131-D134 PolarHBondContact O-N 2.92Å; A131-V135 WeakPolarHBondContact O-CB 3.19Å; A131-V135 VanDerWaalsContact O-CG2 3.29Å; A131-V135 WeakPolarHBondContact O-CG2 3.32Å; A131-V135 PolarHBondContact O-N 3.47Å
132K94.9Very high88.9Confident35 Ų3562.9 Ų62.915%0.15231%0.31CS..Hα-helixtrans-61.2-45.4173.4-74171.3-177171.40111.6W113 T128 E129 Q130 V135 K136 F180W113-K132 HydrophobicContact CD2-CG 3.72Å; W113-K132 HydrophobicContact CE3-CG 3.88Å; W113-K132 HydrophobicContact CG-CG 4.45Å; W113-K132 HydrophobicContact CH2-CG 3.78Å; W113-K132 HydrophobicContact CZ2-CD 4.11Å; W113-K132 HydrophobicContact CZ2-CG 3.57Å; W113-K132 HydrophobicContact CZ3-CB 4.45Å; W113-K132 HydrophobicContact CZ3-CG 3.91Å; T128-K132 WeakPolarHBondContact O-CG 3.25Å; T128-K132 PolarHBondContact O-N 3.3Å; E129-K132 WeakPolarHBondContact O-CB 3.18Å; E129-K132 PolarHBondContact O-N 3.3Å; E129-K132 IonicContact OE1-NZ 3.76Å; E129-K132 PolarHBondContact OE1-NZ 3.36Å; E129-K132 IonicContact OE2-NZ 3.84Å; Q130-K132 VanDerWaalsContact C-N 3.3Å; Q130-K132 PolarHBondContact O-N 3.25Å; K132-V135 PolarHBondContact O-N 2.83Å; K132-K136 WeakPolarHBondContact O-CG 3.48Å; K132-K136 PolarHBondContact O-N 2.77Å; K132-F180 HydrophobicContact CB-CE2 4.42Å; K132-F180 HydrophobicContact CG-CE2 4.5Å
133E96.1Very high90.1Very high84 Ų8457.1 Ų57.139%0.39328%0.284SS..Hα-helixtrans-64.8-40177.9-67.4-50.9127.700112.1E129 Q130 K136 K137E129-E133 PolarHBondContact O-N 3.11Å; E129-E133 VanDerWaalsContact O-N 3.12Å; Q130-E133 PolarHBondContact O-N 2.85Å; Q130-E133 VanDerWaalsContact O-N 3.14Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 3.43Å; E133-K136 IonicContact OE1-NZ 3.68Å; E133-K136 PolarHBondContact OE1-NZ 2.94Å; E133-K136 IonicContact OE2-NZ 3.23Å; E133-K137 WeakPolarHBondContact O-CG 3.32Å; E133-K137 PolarHBondContact O-N 3.4Å; E133-K137 VanDerWaalsContact O-N 3.1Å
134D92.8Very high91.3Very high45 Ų4559.8 Ų59.824%0.24130%0.298CS..Hα-helixtrans-69.8-37.7177.4-65.3-31.1000111.9P109 Q130 A131 K136 K137 V138P109-D134 HydrophobicContact CB-CB 3.94Å; P109-D134 HydrophobicContact CG-CB 4.2Å; Q130-D134 VanDerWaalsContact NE2-CG 3.3Å; Q130-D134 PolarHBondContact NE2-OD1 2.96Å; Q130-D134 VanDerWaalsContact NE2-OD1 3.12Å; Q130-D134 PolarHBondContact NE2-OD2 3.17Å; Q130-D134 PolarHBondContact O-N 3.46Å; A131-D134 PolarHBondContact O-N 2.92Å; D134-K136 VanDerWaalsContact C-N 3.33Å; D134-K136 PolarHBondContact O-N 3.06Å; D134-K137 WeakPolarHBondContact O-CB 3.38Å; D134-K137 PolarHBondContact O-N 2.92Å; D134-K137 IonicContact OD1-NZ 2.78Å; D134-K137 PolarHBondContact OD1-NZ 3.48Å; D134-V138 WeakPolarHBondContact O-CG2 3.45Å; D134-V138 PolarHBondContact O-N 3.08Å
135V98.3Very high92.1Very high3 Ų358 Ų582%0.01829%0.286CS..Hα-helixtrans-61.7-39.6170.1170.30000111.4P109 W113 A131 K132 K137 V138 L139 L171 L176 F180P109-V135 HydrophobicContact CB-CG2 4.09Å; P109-V135 HydrophobicContact CG-CG2 4.32Å; W113-V135 HydrophobicContact CE3-CB 4.3Å; W113-V135 HydrophobicContact CE3-CG2 4.07Å; W113-V135 HydrophobicContact CZ3-CB 4.13Å; W113-V135 HydrophobicContact CZ3-CG1 4.01Å; W113-V135 HydrophobicContact CZ3-CG2 4.37Å; A131-V135 WeakPolarHBondContact O-CB 3.19Å; A131-V135 VanDerWaalsContact O-CG2 3.29Å; A131-V135 WeakPolarHBondContact O-CG2 3.32Å; A131-V135 PolarHBondContact O-N 3.47Å; K132-V135 PolarHBondContact O-N 2.83Å; V135-K137 VanDerWaalsContact C-N 3.32Å; V135-K137 PolarHBondContact O-N 3.47Å; V135-V138 WeakPolarHBondContact O-CB 3.49Å; V135-V138 PolarHBondContact O-N 2.86Å; V135-L139 HydrophobicContact CG1-CD1 3.87Å; V135-L139 HydrophobicContact CG1-CG 4.07Å; V135-L139 WeakPolarHBondContact O-CB 3.32Å; V135-L139 VanDerWaalsContact O-CG 3.24Å; V135-L139 WeakPolarHBondContact O-CG 3.44Å; V135-L139 PolarHBondContact O-N 3.07Å; V135-L171 HydrophobicContact CG1-CD1 4.22Å; V135-L171 HydrophobicContact CG2-CD1 4.07Å; V135-L171 HydrophobicContact CG2-CD2 4.2Å; V135-L176 HydrophobicContact CG1-CD2 4.14Å; V135-F180 HydrophobicContact CG1-CE1 4.26Å
136K98.5Very high93.3Very high69 Ų6950.8 Ų50.830%0.326%0.255SS..Hα-helixtrans-59.8-41.1174.5-73.6172.1-173.4170.30111.9K132 E133 D134 L139 T140 F180 Y184K132-K136 WeakPolarHBondContact O-CG 3.48Å; K132-K136 PolarHBondContact O-N 2.77Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 3.43Å; E133-K136 IonicContact OE1-NZ 3.68Å; E133-K136 PolarHBondContact OE1-NZ 2.94Å; E133-K136 IonicContact OE2-NZ 3.23Å; D134-K136 VanDerWaalsContact C-N 3.33Å; D134-K136 PolarHBondContact O-N 3.06Å; K136-L139 PolarHBondContact O-N 3.34Å; K136-T140 WeakPolarHBondContact O-CB 3.38Å; K136-T140 PolarHBondContact O-N 3.08Å; K136-T140 PolarHBondContact O-OG1 3.25Å; K136-F180 HydrophobicContact CD-CZ 4.44Å; K136-F180 HydrophobicContact CG-CE1 4.23Å; K136-F180 HydrophobicContact CG-CE2 4.35Å; K136-F180 HydrophobicContact CG-CZ 3.69Å; K136-Y184 WeakPolarHBondContact CB-OH 3.49Å; K136-Y184 PolarHBondContact O-OH 3.39Å
137K98.4Very high94.5Very high124 Ų12449.4 Ų49.454%0.53925%0.254SS..Hα-helixtrans-62-48.2175.8-65.7170.8-167158.60111.2E133 D134 V135 L139 T140 V141E133-K137 WeakPolarHBondContact O-CG 3.32Å; E133-K137 PolarHBondContact O-N 3.4Å; E133-K137 VanDerWaalsContact O-N 3.1Å; D134-K137 WeakPolarHBondContact O-CB 3.38Å; D134-K137 PolarHBondContact O-N 2.92Å; D134-K137 IonicContact OD1-NZ 2.78Å; D134-K137 PolarHBondContact OD1-NZ 3.48Å; V135-K137 VanDerWaalsContact C-N 3.32Å; V135-K137 PolarHBondContact O-N 3.47Å; K137-L139 PolarHBondContact O-N 3.1Å; K137-T140 WeakPolarHBondContact O-CB 3.47Å; K137-T140 PolarHBondContact O-N 2.81Å; K137-T140 VanDerWaalsContact O-N 3.15Å; K137-V141 WeakPolarHBondContact O-CG2 3.3Å; K137-V141 PolarHBondContact O-N 3.15Å
138V98.4Very high95.5Very high8 Ų852.7 Ų52.75%0.04827%0.27CS..Hα-helixtrans-55.4-50.3174.9164.90000111.4F101 E105 I106 D134 V135 T140 V141 L142F101-V138 HydrophobicContact CE1-CG1 4.1Å; F101-V138 HydrophobicContact CZ-CB 4.49Å; F101-V138 HydrophobicContact CZ-CG1 4.27Å; F101-V138 HydrophobicContact CZ-CG2 4.21Å; E105-V138 HydrophobicContact CB-CG2 4.01Å; E105-V138 VanDerWaalsContact O-CG2 3.27Å; E105-V138 WeakPolarHBondContact O-CG2 3.41Å; I106-V138 HydrophobicContact CD1-CG1 4.02Å; I106-V138 HydrophobicContact CG1-CG1 3.7Å; I106-V138 HydrophobicContact CG1-CG2 4.34Å; D134-V138 WeakPolarHBondContact O-CG2 3.45Å; D134-V138 PolarHBondContact O-N 3.08Å; V135-V138 WeakPolarHBondContact O-CB 3.49Å; V135-V138 PolarHBondContact O-N 2.86Å; V138-T140 VanDerWaalsContact C-N 3.25Å; V138-T140 PolarHBondContact O-N 3.17Å; V138-V141 PolarHBondContact O-N 3.04Å; V138-L142 HydrophobicContact CG1-CD1 3.89Å; V138-L142 WeakPolarHBondContact O-CG 3.34Å; V138-L142 PolarHBondContact O-N 3.4Å
139L98.8Very high96.2Very high2 Ų257.1 Ų57.11%0.0129%0.286CS..Hα-helixtrans-61.5-36.3179.5-69.8177.2000111.4V135 K136 K137 N143 M168 L176 F180 Y184 V187V135-L139 HydrophobicContact CG1-CD1 3.87Å; V135-L139 HydrophobicContact CG1-CG 4.07Å; V135-L139 WeakPolarHBondContact O-CB 3.32Å; V135-L139 VanDerWaalsContact O-CG 3.24Å; V135-L139 WeakPolarHBondContact O-CG 3.44Å; V135-L139 PolarHBondContact O-N 3.07Å; K136-L139 PolarHBondContact O-N 3.34Å; K137-L139 PolarHBondContact O-N 3.1Å; L139-N143 WeakPolarHBondContact O-CB 3.25Å; L139-N143 PolarHBondContact O-N 3.25Å; L139-M168 HydrophobicContact CD2-CE 3.33Å; L139-L176 HydrophobicContact CD1-CD2 4.22Å; L139-F180 HydrophobicContact CD1-CD1 4.32Å; L139-F180 HydrophobicContact CD1-CE1 3.83Å; L139-Y184 HydrophobicContact CB-CD1 3.7Å; L139-Y184 HydrophobicContact CB-CD2 3.79Å; L139-Y184 HydrophobicContact CB-CE1 3.84Å; L139-Y184 HydrophobicContact CB-CE2 3.91Å; L139-Y184 HydrophobicContact CB-CG 3.66Å; L139-Y184 HydrophobicContact CD1-CD2 3.62Å; L139-Y184 HydrophobicContact CD1-CE2 3.74Å; L139-Y184 HydrophobicContact CD1-CG 4.27Å; L139-Y184 HydrophobicContact CG-CD2 4.29Å; L139-Y184 HydrophobicContact CG-CE2 4.49Å; L139-Y184 HydrophobicContact CG-CG 4.5Å; L139-V187 HydrophobicContact CD2-CB 4.43Å; L139-V187 HydrophobicContact CD2-CG1 3.85Å; L139-V187 WeakPolarHBondContact O-CG2 3.09Å
140T98.8Very high96.8Very high68 Ų6856.1 Ų56.142%0.41729%0.285SS..Hα-helixtrans-63.3-49.4176.6-57.30000111.1K136 K137 V138 L142 N143 Q144 Y184K136-T140 WeakPolarHBondContact O-CB 3.38Å; K136-T140 PolarHBondContact O-N 3.08Å; K136-T140 PolarHBondContact O-OG1 3.25Å; K137-T140 WeakPolarHBondContact O-CB 3.47Å; K137-T140 PolarHBondContact O-N 2.81Å; K137-T140 VanDerWaalsContact O-N 3.15Å; V138-T140 VanDerWaalsContact C-N 3.25Å; V138-T140 PolarHBondContact O-N 3.17Å; T140-L142 PolarHBondContact O-N 3.29Å; T140-N143 PolarHBondContact O-N 2.88Å; T140-Q144 WeakPolarHBondContact O-CB 3.27Å; T140-Q144 PolarHBondContact O-N 2.85Å; T140-Y184 WeakPolarHBondContact OG1-CE1 3.26Å
141V98.7Very high97.5Very high70 Ų7052.4 Ų52.442%0.42427%0.268SS..Hα-helixtrans-59.3-49.3178.3171.70000110.9W98 F101 K137 V138 N143 Q144 H145W98-V141 HydrophobicContact CH2-CG1 4.43Å; F101-V141 HydrophobicContact CE2-CG1 4.37Å; F101-V141 HydrophobicContact CZ-CB 4.41Å; F101-V141 HydrophobicContact CZ-CG1 4.2Å; K137-V141 WeakPolarHBondContact O-CG2 3.3Å; K137-V141 PolarHBondContact O-N 3.15Å; V138-V141 PolarHBondContact O-N 3.04Å; V141-N143 PolarHBondContact O-N 3.29Å; V141-Q144 PolarHBondContact O-N 3.06Å; V141-H145 WeakPolarHBondContact O-CB 3.24Å; V141-H145 PolarHBondContact O-N 2.56Å
142L98.8Very high98Very high0 Ų052.4 Ų52.40%027%0.267CS..Hα-helixtrans-63-43178.1-69.6172.2000111.5W98 F101 I106 V138 T140 Q144 H145 L146 L152 V164 M168 V187W98-L142 HydrophobicContact CE3-CD2 4.06Å; W98-L142 HydrophobicContact CH2-CD2 4.03Å; W98-L142 HydrophobicContact CZ3-CD2 3.48Å; W98-L142 VanDerWaalsContact CZ3-CD2 3.48Å; F101-L142 HydrophobicContact CE1-CD2 4.36Å; F101-L142 HydrophobicContact CE1-CG 4.35Å; I106-L142 HydrophobicContact CD1-CD1 4.44Å; V138-L142 HydrophobicContact CG1-CD1 3.89Å; V138-L142 WeakPolarHBondContact O-CG 3.34Å; V138-L142 PolarHBondContact O-N 3.4Å; T140-L142 PolarHBondContact O-N 3.29Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 3.29Å; L142-H145 PolarHBondContact O-N 3.16Å; L142-L146 HydrophobicContact CB-CD1 4.46Å; L142-L146 VanDerWaalsContact O-CB 3.28Å; L142-L146 WeakPolarHBondContact O-CB 3.37Å; L142-L146 WeakPolarHBondContact O-CD1 3.43Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 2.78Å; L142-L152 HydrophobicContact CD2-CD2 4.02Å; L142-V164 HydrophobicContact CD1-CG1 4.03Å; L142-V164 HydrophobicContact CD2-CG1 4.2Å; L142-M168 HydrophobicContact CD1-CE 4.14Å; L142-M168 HydrophobicContact CD1-SD 3.69Å; L142-V187 HydrophobicContact CB-CG1 4.37Å; L142-V187 HydrophobicContact CB-CG2 3.63Å; L142-V187 HydrophobicContact CD1-CG1 4.4Å
143N98.8Very high98.1Very high28 Ų2851 Ų5115%0.1526%0.262CS..Hα-helixtrans-62.9-40.2-177.7-166.867.7000111.6L139 T140 V141 T147 Y184 N186 V187L139-N143 WeakPolarHBondContact O-CB 3.25Å; L139-N143 PolarHBondContact O-N 3.25Å; T140-N143 PolarHBondContact O-N 2.88Å; V141-N143 PolarHBondContact O-N 3.29Å; N143-T147 PolarHBondContact O-N 3.23Å; N143-T147 PolarHBondContact O-OG1 2.93Å; N143-Y184 HydrophobicContact CB-CD1 4.1Å; N143-Y184 VanDerWaalsContact OD1-CA 3.3Å; N143-Y184 WeakPolarHBondContact OD1-CA 3.37Å; N143-N186 PolarHBondContact O-ND2 2.91Å; N143-N186 VanDerWaalsContact O-ND2 3.11Å; N143-N186 WeakPolarHBondContact OD1-CA 3.3Å; N143-N186 VanDerWaalsContact OD1-CB 3.27Å; N143-N186 WeakPolarHBondContact OD1-CB 3.25Å; N143-N186 PolarHBondContact OD1-N 3.48Å; N143-V187 VanDerWaalsContact CA-CG2 3.4Å; N143-V187 HydrophobicContact CB-CG2 3.61Å; N143-V187 PolarHBondContact OD1-N 3.41Å
144Q98.7Very high97.9Very high143 Ų14350 Ų5067%0.66827%0.274SS*.Hα-helixtrans-66.7-49.2175.8-173.6175.17.200110.8T140 V141 L142 L146 T147T140-Q144 WeakPolarHBondContact O-CB 3.27Å; T140-Q144 PolarHBondContact O-N 2.85Å; V141-Q144 PolarHBondContact O-N 3.06Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 3.29Å; Q144-L146 VanDerWaalsContact C-N 3.26Å; Q144-L146 PolarHBondContact O-N 2.7Å; Q144-T147 WeakPolarHBondContact O-CB 3.43Å; Q144-T147 PolarHBondContact O-N 3.44Å; Q144-T147 VanDerWaalsContact O-N 3.16Å; Q144-T147 PolarHBondContact O-OG1 3.11Å
145H98.6Very high98.1Very high41 Ų4152.7 Ų52.719%0.1929%0.285CS..Hα-helixtrans-58.5-38.5179.6-175.670.8000112.7W98 V141 L142 T147 R149 L152W98-H145 AromaticContact CE2-NE2 3.92Å; W98-H145 HydrophobicContact CH2-CB 4.19Å; W98-H145 HydrophobicContact CZ2-CB 4.24Å; W98-H145 AromaticContact CZ2-CD2 3.39Å; W98-H145 WeakPolarHBondContact CZ2-CD2 3.29Å; W98-H145 AromaticContact CZ2-CE1 3.75Å; W98-H145 AromaticContact CZ2-CG 3.55Å; W98-H145 AromaticContact CZ2-ND1 3.81Å; W98-H145 AromaticContact CZ2-NE2 3.52Å; W98-H145 AromaticContact NE1-NE2 3.85Å; V141-H145 WeakPolarHBondContact O-CB 3.24Å; V141-H145 PolarHBondContact O-N 2.56Å; L142-H145 PolarHBondContact O-N 3.16Å; H145-T147 VanDerWaalsContact C-N 3.32Å; H145-T147 PolarHBondContact O-N 2.86Å; H145-R149 WeakPolarHBondContact O-CD 3.06Å; H145-R149 PolarHBondContact O-NH1 2.94Å; H145-L152 PolarHBondContact NE2-O 2.91Å
146L98.8Very high98Very high0 Ų059.4 Ų59.40%031%0.31CS..G310 helixtrans-83.91.4-177.9-69.7164.7000114.4L142 Q144 T148 R149 L152 N186 V187 R189 W190L142-L146 HydrophobicContact CB-CD1 4.46Å; L142-L146 VanDerWaalsContact O-CB 3.28Å; L142-L146 WeakPolarHBondContact O-CB 3.37Å; L142-L146 WeakPolarHBondContact O-CD1 3.43Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 2.78Å; Q144-L146 VanDerWaalsContact C-N 3.26Å; Q144-L146 PolarHBondContact O-N 2.7Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 3.23Å; L146-R149 PolarHBondContact O-N 3.2Å; L146-L152 HydrophobicContact CD1-CD2 4.43Å; L146-L152 HydrophobicContact CD2-CD2 4Å; L146-L152 HydrophobicContact CG-CD2 4.22Å; L146-N186 HydrophobicContact CB-CB 3.89Å; L146-V187 HydrophobicContact CD1-CG2 4.43Å; L146-R189 PolarHBondContact O-NH2 3.13Å; L146-W190 HydrophobicContact CD1-CB 3.57Å; L146-W190 HydrophobicContact CD1-CD2 3.84Å; L146-W190 HydrophobicContact CD1-CE3 4.09Å; L146-W190 HydrophobicContact CD1-CG 3.59Å; L146-W190 HydrophobicContact CD2-CB 4.02Å; L146-W190 HydrophobicContact CD2-CG 3.81Å; L146-W190 HydrophobicContact CG-CB 4.35Å; L146-W190 HydrophobicContact CG-CG 4.36Å
147T98.4Very high98Very high81 Ų8156.7 Ų56.750%0.49730%0.299SS..G310 helixtrans-55.3-42.7-179.8-560000112.3N143 Q144 H145N143-T147 PolarHBondContact O-N 3.23Å; N143-T147 PolarHBondContact O-OG1 2.93Å; Q144-T147 WeakPolarHBondContact O-CB 3.43Å; Q144-T147 PolarHBondContact O-N 3.44Å; Q144-T147 VanDerWaalsContact O-N 3.16Å; Q144-T147 PolarHBondContact O-OG1 3.11Å; H145-T147 VanDerWaalsContact C-N 3.32Å; H145-T147 PolarHBondContact O-N 2.86Å
148T97.6Very high98Very high116 Ų11651 Ų5171%0.71228%0.275SS*.G310 helixtrans-120.117.9-176.7560000112.9L146L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 3.23Å
149R98.6Very high98.1Very high97 Ų9750.9 Ų50.937%0.36627%0.274SS..  trans-127.7143.5-175.1-64.6-179.7179.474.85.9111.4H145 L146 F151 E155 R189H145-R149 WeakPolarHBondContact O-CD 3.06Å; H145-R149 PolarHBondContact O-NH1 2.94Å; L146-R149 PolarHBondContact O-N 3.2Å; R149-F151 WeakPolarHBondContact CB-O 3.27Å; R149-E155 WeakPolarHBondContact CA-OE1 3.48Å; R149-R189 PolarHBondContact O-NH1 3.45Å
150T98.5Very high98.1Very high61 Ų6150.8 Ų50.837%0.37427%0.273SS..SBendtrans-80.9-43173.7-48.90000110.9E155T150-E155 WeakPolarHBondContact CB-OE2 3.43Å; T150-E155 PolarHBondContact N-OE1 3.02Å; T150-E155 PolarHBondContact N-OE2 3.42Å; T150-E155 VanDerWaalsContact N-OE2 3.15Å; T150-E155 PolarHBondContact OG1-OE2 2.91Å
151F98.8Very high98.1Very high21 Ų2147.5 Ų47.59%0.09225%0.253CS..SBendtrans-129.8165.9-178.5-64.4-70.8000110.2R149 V153 R156 V157 D161 T193R149-F151 WeakPolarHBondContact CB-O 3.27Å; F151-V153 VanDerWaalsContact C-N 3.3Å; F151-V153 PolarHBondContact O-N 2.71Å; F151-R156 WeakPolarHBondContact CB-O 3.38Å; F151-R156 VanDerWaalsContact CD2-C 3.41Å; F151-V157 HydrophobicContact CD1-CG2 3.85Å; F151-V157 HydrophobicContact CE1-CG2 3.37Å; F151-V157 HydrophobicContact CE2-CG2 4.39Å; F151-V157 HydrophobicContact CZ-CG2 3.67Å; F151-D161 WeakPolarHBondContact CA-OD1 3.43Å; F151-D161 WeakPolarHBondContact CB-OD1 3.39Å; F151-T193 HydrophobicContact CE1-CG2 4.2Å; F151-T193 HydrophobicContact CZ-CG2 4.22Å
152L98.6Very high98.1Very high4 Ų444.2 Ų44.22%0.02123%0.233CC..SBendtrans-65.1-33.2-174.6-68.2176.9000113W98 L142 H145 L146 A160 D161 V164 W190W98-L152 HydrophobicContact CB-CD1 4.42Å; W98-L152 HydrophobicContact CD2-CD1 4.24Å; W98-L152 HydrophobicContact CD2-CD2 4.38Å; W98-L152 HydrophobicContact CG-CB 4.35Å; W98-L152 HydrophobicContact CG-CD1 4.18Å; W98-L152 HydrophobicContact CZ2-CD2 4.38Å; L142-L152 HydrophobicContact CD2-CD2 4.02Å; H145-L152 PolarHBondContact NE2-O 2.91Å; L146-L152 HydrophobicContact CD1-CD2 4.43Å; L146-L152 HydrophobicContact CD2-CD2 4Å; L146-L152 HydrophobicContact CG-CD2 4.22Å; L152-A160 HydrophobicContact CB-CB 3.94Å; L152-A160 HydrophobicContact CD1-CB 4.08Å; L152-D161 PolarHBondContact N-OD1 2.94Å; L152-V164 HydrophobicContact CD1-CB 3.84Å; L152-V164 HydrophobicContact CD1-CG1 4.26Å; L152-V164 HydrophobicContact CD1-CG2 3.64Å; L152-W190 HydrophobicContact CD1-CZ2 3.93Å; L152-W190 HydrophobicContact CG-CZ2 4.23Å
153V98.3Very high98.1Very high6 Ų644.3 Ų44.34%0.03623%0.234CC..SBendtrans-139127.5-176.6-174.20000111.1A91 Q94 V95 F151 E155 R156 A160A91-V153 HydrophobicContact CB-CG1 4.15Å; Q94-V153 HydrophobicContact CB-CG1 4.02Å; Q94-V153 HydrophobicContact CB-CG2 3.85Å; V95-V153 HydrophobicContact CG2-CB 4.32Å; V95-V153 HydrophobicContact CG2-CG1 4.22Å; V95-V153 HydrophobicContact CG2-CG2 4.2Å; F151-V153 VanDerWaalsContact C-N 3.3Å; F151-V153 PolarHBondContact O-N 2.71Å; V153-E155 PolarHBondContact O-N 3.23Å; V153-R156 VanDerWaalsContact O-O 3.12Å; V153-A160 HydrophobicContact CG2-CB 3.86Å
154G91.9Very high98.1Very high62 Ų6243 Ų4364%0.63923%0.227SC*.THydrogen-bonded Turntrans6624.6164.600000116.9R156G154-R156 PolarHBondContact O-N 3.49Å; G154-R156 VanDerWaalsContact O-N 3.09Å
155E95.6Very high98.1Very high102 Ų10236.2 Ų36.248%0.47720%0.195SC..THydrogen-bonded Turntrans53.428.2177.9-66.3-57.9116.800115R149 T150 V153R149-E155 WeakPolarHBondContact CA-OE1 3.48Å; T150-E155 WeakPolarHBondContact CB-OE2 3.43Å; T150-E155 PolarHBondContact N-OE1 3.02Å; T150-E155 PolarHBondContact N-OE2 3.42Å; T150-E155 VanDerWaalsContact N-OE2 3.15Å; T150-E155 PolarHBondContact OG1-OE2 2.91Å; V153-E155 PolarHBondContact O-N 3.23Å
156R97.1Very high98.1Very high144 Ų14434.2 Ų34.254%0.54319%0.186SC..SBendtrans-147.5160.5172.464.3-173.7-62.4170.65.1110A83 F151 V153 G154 S158A83-R156 VanDerWaalsContact CB-CZ 3.44Å; A83-R156 VanDerWaalsContact CB-NH2 3.34Å; F151-R156 WeakPolarHBondContact CB-O 3.38Å; F151-R156 VanDerWaalsContact CD2-C 3.41Å; V153-R156 VanDerWaalsContact O-O 3.12Å; G154-R156 PolarHBondContact O-N 3.49Å; G154-R156 VanDerWaalsContact O-N 3.09Å; R156-S158 PolarHBondContact O-N 3.01Å
157V98.6Very high98Very high13 Ų1334.7 Ų34.78%0.07919%0.189CC..  trans-58129.8171.6175.60000109.5Y24 L84 F151 D161 I162 Q197 F200Y24-V157 HydrophobicContact CD2-CG1 4.41Å; Y24-V157 HydrophobicContact CE1-CB 4.32Å; Y24-V157 HydrophobicContact CE1-CG1 4.39Å; Y24-V157 HydrophobicContact CE2-CG1 3.75Å; L84-V157 HydrophobicContact CD2-CG1 4.18Å; L84-V157 WeakPolarHBondContact CD2-O 3.32Å; F151-V157 HydrophobicContact CD1-CG2 3.85Å; F151-V157 HydrophobicContact CE1-CG2 3.37Å; F151-V157 HydrophobicContact CE2-CG2 4.39Å; F151-V157 HydrophobicContact CZ-CG2 3.67Å; V157-D161 HydrophobicContact CG1-CB 4.38Å; V157-I162 HydrophobicContact CG1-CD1 4.27Å; V157-I162 HydrophobicContact CG1-CG1 4.01Å; V157-Q197 HydrophobicContact CG2-CG 4.4Å; V157-F200 HydrophobicContact CG1-CE2 4Å
158S98.8Very high98Very high3 Ų330.9 Ų30.92%0.02117%0.166CC..  trans-128.5176.5173.4670000110.6R156 A160 D161 I162R156-S158 PolarHBondContact O-N 3.01Å; S158-A160 PolarHBondContact O-N 3.29Å; S158-A160 WeakPolarHBondContact OG-CB 3.1Å; S158-A160 PolarHBondContact OG-N 3.34Å; S158-D161 PolarHBondContact N-OD2 3.27Å; S158-D161 PolarHBondContact O-N 2.91Å; S158-D161 VanDerWaalsContact O-N 3.11Å; S158-D161 PolarHBondContact OG-OD2 3.07Å; S158-I162 WeakPolarHBondContact O-CG1 3.36Å; S158-I162 PolarHBondContact O-N 3.39Å; S158-I162 VanDerWaalsContact O-N 3.16Å
159L98.6Very high98Very high6 Ų625.6 Ų25.63%0.03113%0.133CC..Hα-helixtrans-60.5-22.5171-85.8172.1000113.3A21 A76 H77 S80 L84 R85 V95 I162 T163A21-L159 HydrophobicContact CB-CD2 4.19Å; A76-L159 HydrophobicContact CB-CD2 3.92Å; H77-L159 HydrophobicContact CB-CD1 4.24Å; S80-L159 WeakPolarHBondContact OG-CD1 3.09Å; S80-L159 WeakPolarHBondContact OG-CD2 3.49Å; S80-L159 WeakPolarHBondContact OG-CG 3.31Å; L84-L159 HydrophobicContact CB-CG 4.27Å; L84-L159 PolarHBondContact O-N 2.95Å; R85-L159 HydrophobicContact CG-CD1 4.37Å; V95-L159 HydrophobicContact CG1-CB 3.68Å; L159-I162 HydrophobicContact CD2-CD1 4.39Å; L159-T163 WeakPolarHBondContact O-CB 3.48Å; L159-T163 PolarHBondContact O-N 2.93Å; L159-T163 PolarHBondContact O-OG1 3.39Å
160A98.8Very high97.8Very high0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-59.7-53.1171.100000110.2W98 L152 V153 S158 I162 T163 V164W98-A160 HydrophobicContact CB-CB 3.52Å; W98-A160 HydrophobicContact CG-CB 3.96Å; L152-A160 HydrophobicContact CB-CB 3.94Å; L152-A160 HydrophobicContact CD1-CB 4.08Å; V153-A160 HydrophobicContact CG2-CB 3.86Å; S158-A160 PolarHBondContact O-N 3.29Å; S158-A160 WeakPolarHBondContact OG-CB 3.1Å; S158-A160 PolarHBondContact OG-N 3.34Å; A160-I162 PolarHBondContact O-N 3.39Å; A160-T163 PolarHBondContact O-N 3.4Å; A160-V164 WeakPolarHBondContact O-CB 3.41Å; A160-V164 VanDerWaalsContact O-CG2 3.31Å; A160-V164 WeakPolarHBondContact O-CG2 3.43Å; A160-V164 PolarHBondContact O-N 3.48Å
161D98.9Very high97.8Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-62.8-46.4-177.7-56.3-83.7000111.3F151 L152 V157 S158 T163 A165 W190F151-D161 WeakPolarHBondContact CA-OD1 3.43Å; F151-D161 WeakPolarHBondContact CB-OD1 3.39Å; L152-D161 PolarHBondContact N-OD1 2.94Å; V157-D161 HydrophobicContact CG1-CB 4.38Å; S158-D161 PolarHBondContact N-OD2 3.27Å; S158-D161 PolarHBondContact O-N 2.91Å; S158-D161 VanDerWaalsContact O-N 3.11Å; S158-D161 PolarHBondContact OG-OD2 3.07Å; D161-T163 VanDerWaalsContact C-N 3.34Å; D161-T163 PolarHBondContact O-N 3.25Å; D161-A165 WeakPolarHBondContact O-CB 3.41Å; D161-A165 PolarHBondContact O-N 2.78Å; D161-W190 HydrophobicContact CB-CZ2 4.41Å; D161-W190 PolarHBondContact OD1-NE1 3.12Å
162I98.9Very high97.8Very high0 Ų019.9 Ų19.90%010%0.104CC..Hα-helixtrans-57.9-48178.2-64.2169.7000110.5K17 I20 A21 Y24 L84 V157 S158 L159 A160 C166 F200K17-I162 HydrophobicContact CB-CG2 4.22Å; I20-I162 HydrophobicContact CB-CG2 4.07Å; I20-I162 HydrophobicContact CG2-CD1 3.94Å; I20-I162 HydrophobicContact CG2-CG1 3.86Å; I20-I162 HydrophobicContact CG2-CG2 4.17Å; A21-I162 HydrophobicContact CB-CD1 4.5Å; Y24-I162 HydrophobicContact CD2-CD1 4.14Å; Y24-I162 HydrophobicContact CE2-CD1 4.45Å; L84-I162 HydrophobicContact CD1-CD1 4Å; L84-I162 HydrophobicContact CD2-CD1 3.89Å; V157-I162 HydrophobicContact CG1-CD1 4.27Å; V157-I162 HydrophobicContact CG1-CG1 4.01Å; S158-I162 WeakPolarHBondContact O-CG1 3.36Å; S158-I162 PolarHBondContact O-N 3.39Å; S158-I162 VanDerWaalsContact O-N 3.16Å; L159-I162 HydrophobicContact CD2-CD1 4.39Å; A160-I162 PolarHBondContact O-N 3.39Å; I162-C166 VanDerWaalsContact O-CB 3.3Å; I162-C166 WeakPolarHBondContact O-CB 3.38Å; I162-C166 PolarHBondContact O-N 3.12Å; I162-C166 PolarHBondContact O-SG 3.3Å; I162-F200 HydrophobicContact CB-CZ 4.22Å; I162-F200 HydrophobicContact CG1-CE2 3.99Å; I162-F200 HydrophobicContact CG1-CZ 3.65Å
163T98.8Very high97.7Very high2 Ų223.3 Ų23.31%0.01212%0.119CC..Hα-helixtrans-70.2-47.4-175-59.60000112K17 V99 A102 L159 A160 D161 S167K17-T163 HydrophobicContact CD-CG2 3.76Å; V99-T163 HydrophobicContact CB-CG2 4.42Å; V99-T163 HydrophobicContact CG1-CG2 4.34Å; V99-T163 HydrophobicContact CG2-CG2 4.22Å; A102-T163 HydrophobicContact CB-CG2 3.83Å; L159-T163 WeakPolarHBondContact O-CB 3.48Å; L159-T163 PolarHBondContact O-N 2.93Å; L159-T163 PolarHBondContact O-OG1 3.39Å; A160-T163 PolarHBondContact O-N 3.4Å; D161-T163 VanDerWaalsContact C-N 3.34Å; D161-T163 PolarHBondContact O-N 3.25Å; T163-S167 WeakPolarHBondContact O-CB 3.11Å; T163-S167 PolarHBondContact O-N 3.19Å; T163-S167 PolarHBondContact O-OG 3.44Å
164V98.8Very high97.5Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-65.4-44.9179.5177.80000110.1W98 A102 I106 L142 L152 A160 C166 S167 M168 W190W98-V164 HydrophobicContact CB-CG2 4.23Å; A102-V164 HydrophobicContact CB-CG2 4.26Å; I106-V164 HydrophobicContact CD1-CG1 3.71Å; I106-V164 HydrophobicContact CD1-CG2 4.5Å; L142-V164 HydrophobicContact CD1-CG1 4.03Å; L142-V164 HydrophobicContact CD2-CG1 4.2Å; L152-V164 HydrophobicContact CD1-CB 3.84Å; L152-V164 HydrophobicContact CD1-CG1 4.26Å; L152-V164 HydrophobicContact CD1-CG2 3.64Å; A160-V164 WeakPolarHBondContact O-CB 3.41Å; A160-V164 VanDerWaalsContact O-CG2 3.31Å; A160-V164 WeakPolarHBondContact O-CG2 3.43Å; A160-V164 PolarHBondContact O-N 3.48Å; V164-C166 PolarHBondContact O-N 3.02Å; V164-S167 PolarHBondContact O-N 3.41Å; V164-M168 HydrophobicContact CG1-SD 3.86Å; V164-M168 VanDerWaalsContact O-CG 3.32Å; V164-M168 WeakPolarHBondContact O-CG 3.32Å; V164-M168 PolarHBondContact O-N 3Å; V164-M168 VanDerWaalsContact O-N 3.07Å; V164-W190 HydrophobicContact CB-CH2 3.84Å; V164-W190 HydrophobicContact CB-CZ2 4.2Å; V164-W190 HydrophobicContact CG1-CH2 3.47Å; V164-W190 VanDerWaalsContact CG1-CH2 3.47Å; V164-W190 HydrophobicContact CG1-CZ2 4.19Å; V164-W190 HydrophobicContact CG1-CZ3 4.13Å
165A98.8Very high97.8Very high1 Ų121.8 Ų21.81%0.00810%0.095CC..Hα-helixtrans-65-43-179.800000112D161 S167 M168 V169 W190 F191 C194 F200D161-A165 WeakPolarHBondContact O-CB 3.41Å; D161-A165 PolarHBondContact O-N 2.78Å; A165-S167 VanDerWaalsContact C-N 3.3Å; A165-S167 PolarHBondContact O-N 3.1Å; A165-M168 PolarHBondContact O-N 2.99Å; A165-V169 PolarHBondContact O-N 3.27Å; A165-W190 HydrophobicContact CB-CH2 3.86Å; A165-W190 HydrophobicContact CB-CZ2 4.19Å; A165-F191 HydrophobicContact CB-CD2 4.31Å; A165-F191 HydrophobicContact CB-CE2 4.44Å; A165-C194 HydrophobicContact CB-CB 4.31Å; A165-F200 HydrophobicContact CB-CE1 4Å
166C98.3Very high97.9Very high0 Ų017 Ų170%07%0.073CC..Hα-helixtrans-62.4-38.2175.2-700000112.1K17 I162 V164 M168 V169K17-C166 HydrophobicContact CG-CB 3.76Å; I162-C166 VanDerWaalsContact O-CB 3.3Å; I162-C166 WeakPolarHBondContact O-CB 3.38Å; I162-C166 PolarHBondContact O-N 3.12Å; I162-C166 PolarHBondContact O-SG 3.3Å; V164-C166 PolarHBondContact O-N 3.02Å; C166-M168 VanDerWaalsContact C-N 3.25Å; C166-M168 PolarHBondContact O-N 3.49Å; C166-V169 VanDerWaalsContact O-CG1 3.25Å; C166-V169 WeakPolarHBondContact O-CG1 3.4Å; C166-V169 PolarHBondContact O-N 3.34Å
167S97.4Very high97.9Very high9 Ų912.4 Ų12.46%0.0636%0.058CC..Hα-helixtrans-68.2-26.5178.7-55.50000112.5T163 V164 A165T163-S167 WeakPolarHBondContact O-CB 3.11Å; T163-S167 PolarHBondContact O-N 3.19Å; T163-S167 PolarHBondContact O-OG 3.44Å; V164-S167 PolarHBondContact O-N 3.41Å; A165-S167 VanDerWaalsContact C-N 3.3Å; A165-S167 PolarHBondContact O-N 3.1Å
168M98.1Very high97.9Very high1 Ų114.9 Ų14.91%0.0057%0.074CC..Hα-helixtrans-96.6-6178.7-62.917978.200114I106 L139 L142 V164 A165 C166 W170 L171 F172 V187 W190 F191I106-M168 HydrophobicContact CD1-CG 4.3Å; I106-M168 HydrophobicContact CD1-SD 4.39Å; I106-M168 HydrophobicContact CG2-CG 3.76Å; L139-M168 HydrophobicContact CD2-CE 3.33Å; L142-M168 HydrophobicContact CD1-CE 4.14Å; L142-M168 HydrophobicContact CD1-SD 3.69Å; V164-M168 HydrophobicContact CG1-SD 3.86Å; V164-M168 VanDerWaalsContact O-CG 3.32Å; V164-M168 WeakPolarHBondContact O-CG 3.32Å; V164-M168 PolarHBondContact O-N 3Å; V164-M168 VanDerWaalsContact O-N 3.07Å; A165-M168 PolarHBondContact O-N 2.99Å; C166-M168 VanDerWaalsContact C-N 3.25Å; C166-M168 PolarHBondContact O-N 3.49Å; M168-W170 VanDerWaalsContact C-N 3.29Å; M168-W170 PolarHBondContact O-N 2.86Å; M168-L171 WeakPolarHBondContact O-CB 3.27Å; M168-L171 PolarHBondContact O-N 3.41Å; M168-F172 HydrophobicContact CB-CD2 4.05Å; M168-F172 HydrophobicContact CB-CE2 4.21Å; M168-F172 HydrophobicContact CE-CE2 3.71Å; M168-F172 HydrophobicContact CE-CZ 4.47Å; M168-F172 PolarHBondContact O-N 3.45Å; M168-V187 HydrophobicContact CE-CG1 4.01Å; M168-W190 HydrophobicContact SD-CZ3 4.11Å; M168-F191 HydrophobicContact CB-CE2 4.44Å
169V97.2Very high97.8Very high5 Ų518.4 Ų18.43%0.0310%0.098CC..Hα-helixtrans-57.5-42.5-170.975.60000112.2W13 A165 C166 F172 K173 F191W13-V169 HydrophobicContact CB-CG1 4.12Å; A165-V169 PolarHBondContact O-N 3.27Å; C166-V169 VanDerWaalsContact O-CG1 3.25Å; C166-V169 WeakPolarHBondContact O-CG1 3.4Å; C166-V169 PolarHBondContact O-N 3.34Å; V169-F172 PolarHBondContact O-N 2.7Å; V169-K173 HydrophobicContact CG2-CD 4.18Å; V169-K173 VanDerWaalsContact O-CG 3.31Å; V169-K173 WeakPolarHBondContact O-CG 3.45Å; V169-K173 PolarHBondContact O-N 3.28Å; V169-F191 HydrophobicContact CG2-CZ 4.36Å
170W95.6Very high97.7Very high56 Ų5619.3 Ų19.321%0.21210%0.102CC..Hα-helixtrans-75.2-30.7-180-76.4109.7000113D11 W13 V114 L118 M168 K173 Q174D11-W170 HydrophobicContact CB-CZ2 4.49Å; W13-W170 AromaticContact CD1-CD1 3.85Å; V114-W170 HydrophobicContact CG1-CB 3.73Å; V114-W170 HydrophobicContact CG1-CG 4.39Å; V114-W170 HydrophobicContact CG2-CB 4.31Å; L118-W170 HydrophobicContact CD1-CD2 4.32Å; L118-W170 HydrophobicContact CD1-CE3 4.19Å; L118-W170 HydrophobicContact CD1-CZ3 4.37Å; L118-W170 HydrophobicContact CD2-CE3 4.25Å; L118-W170 HydrophobicContact CD2-CH2 4.5Å; L118-W170 HydrophobicContact CD2-CZ3 3.9Å; M168-W170 VanDerWaalsContact C-N 3.29Å; M168-W170 PolarHBondContact O-N 2.86Å; W170-K173 HydrophobicContact CE3-CB 4.46Å; W170-K173 PolarHBondContact O-N 2.72Å; W170-Q174 HydrophobicContact CE3-CG 3.77Å; W170-Q174 HydrophobicContact CZ3-CG 4.31Å; W170-Q174 WeakPolarHBondContact O-CB 3.5Å; W170-Q174 WeakPolarHBondContact O-CG 3.5Å; W170-Q174 PolarHBondContact O-N 3.04Å
171L98Very high97.7Very high2 Ų221.1 Ų21.11%0.0111%0.109CC..Hα-helixtrans-58.9-50.2170.5-77.6171.8000110.2A110 W113 V114 V135 M168 K173 Q174 V175 L176A110-L171 HydrophobicContact CB-CD1 3.71Å; A110-L171 HydrophobicContact CB-CD2 4.27Å; A110-L171 HydrophobicContact CB-CG 3.84Å; W113-L171 HydrophobicContact CD2-CD2 4.46Å; W113-L171 HydrophobicContact CE3-CD2 3.78Å; W113-L171 HydrophobicContact CZ3-CD2 4.24Å; V114-L171 HydrophobicContact CG2-CD2 3.88Å; V114-L171 HydrophobicContact CG2-CG 4.24Å; V135-L171 HydrophobicContact CG1-CD1 4.22Å; V135-L171 HydrophobicContact CG2-CD1 4.07Å; V135-L171 HydrophobicContact CG2-CD2 4.2Å; M168-L171 WeakPolarHBondContact O-CB 3.27Å; M168-L171 PolarHBondContact O-N 3.41Å; L171-K173 PolarHBondContact O-N 2.92Å; L171-Q174 PolarHBondContact O-N 2.83Å; L171-V175 HydrophobicContact CB-CG2 4.5Å; L171-V175 HydrophobicContact CD2-CG2 3.6Å; L171-V175 PolarHBondContact O-N 3.15Å; L171-L176 HydrophobicContact CB-CD1 3.79Å; L171-L176 HydrophobicContact CB-CG 3.91Å; L171-L176 WeakPolarHBondContact O-CG 3.46Å; L171-L176 PolarHBondContact O-N 3.35Å
172F98.4Very high97.6Very high1 Ų127.9 Ų27.90%0.00414%0.14CC..Hα-helixtrans-66.7-31.7179.2-86.2-77.7000114M168 V169 L176 V187 F191 L209 C210M168-F172 HydrophobicContact CB-CD2 4.05Å; M168-F172 HydrophobicContact CB-CE2 4.21Å; M168-F172 HydrophobicContact CE-CE2 3.71Å; M168-F172 HydrophobicContact CE-CZ 4.47Å; M168-F172 PolarHBondContact O-N 3.45Å; V169-F172 PolarHBondContact O-N 2.7Å; F172-L176 HydrophobicContact CD1-CD1 4.13Å; F172-L176 HydrophobicContact CD2-CD1 3.98Å; F172-L176 HydrophobicContact CE1-CD1 4.17Å; F172-L176 HydrophobicContact CE2-CD1 4.02Å; F172-L176 HydrophobicContact CG-CD1 4.04Å; F172-L176 HydrophobicContact CZ-CD1 4.11Å; F172-V187 HydrophobicContact CZ-CG1 4.32Å; F172-F191 HydrophobicContact CB-CD1 4.16Å; F172-F191 HydrophobicContact CB-CE1 3.51Å; F172-F191 HydrophobicContact CB-CE2 4.38Å; F172-F191 HydrophobicContact CB-CZ 3.63Å; F172-F191 AromaticContact CD1-CD1 3.84Å; F172-F191 HydrophobicContact CD1-CD1 3.84Å; F172-F191 HydrophobicContact CD1-CE1 4.06Å; F172-F191 HydrophobicContact CD1-CG 4.38Å; F172-F191 HydrophobicContact CD2-CB 4.37Å; F172-F191 AromaticContact CD2-CD1 3.65Å; F172-F191 HydrophobicContact CD2-CD1 3.65Å; F172-F191 AromaticContact CD2-CD2 3.51Å; F172-F191 HydrophobicContact CD2-CD2 3.51Å; F172-F191 AromaticContact CD2-CE1 3.71Å; F172-F191 HydrophobicContact CD2-CE1 3.71Å; F172-F191 AromaticContact CD2-CE2 3.56Å; F172-F191 HydrophobicContact CD2-CE2 3.56Å; F172-F191 AromaticContact CD2-CG 3.56Å; F172-F191 HydrophobicContact CD2-CG 3.56Å; F172-F191 AromaticContact CD2-CZ 3.66Å; F172-F191 HydrophobicContact CD2-CZ 3.66Å; F172-F191 HydrophobicContact CE1-CB 4.4Å; F172-F191 HydrophobicContact CE1-CD1 4.09Å; F172-F191 HydrophobicContact CE1-CG 4.3Å; F172-F191 HydrophobicContact CE2-CB 3.77Å; F172-F191 AromaticContact CE2-CD1 3.91Å; F172-F191 HydrophobicContact CE2-CD1 3.91Å; F172-F191 AromaticContact CE2-CD2 3.59Å; F172-F191 HydrophobicContact CE2-CD2 3.59Å; F172-F191 HydrophobicContact CE2-CE1 4.43Å; F172-F191 HydrophobicContact CE2-CE2 4.13Å; F172-F191 AromaticContact CE2-CG 3.46Å; F172-F191 HydrophobicContact CE2-CG 3.46Å; F172-F191 VanDerWaalsContact CE2-CG 3.46Å; F172-F191 AromaticContact CG-CD1 3.61Å; F172-F191 HydrophobicContact CG-CD1 3.61Å; F172-F191 HydrophobicContact CG-CD2 4.3Å; F172-F191 AromaticContact CG-CE1 3.49Å; F172-F191 HydrophobicContact CG-CE1 3.49Å; F172-F191 VanDerWaalsContact CG-CE1 3.49Å; F172-F191 HydrophobicContact CG-CE2 4.19Å; F172-F191 HydrophobicContact CG-CG 4.03Å; F172-F191 AromaticContact CG-CZ 3.79Å; F172-F191 HydrophobicContact CG-CZ 3.79Å; F172-F191 HydrophobicContact CZ-CB 3.8Å; F172-F191 HydrophobicContact CZ-CD1 4.13Å; F172-F191 HydrophobicContact CZ-CD2 4.43Å; F172-F191 AromaticContact CZ-CG 3.86Å; F172-F191 HydrophobicContact CZ-CG 3.86Å; F172-L209 HydrophobicContact CB-CD2 4.11Å; F172-L209 HydrophobicContact CD1-CD2 4.07Å; F172-L209 HydrophobicContact CG-CD2 4.43Å; F172-C210 VanDerWaalsContact O-CB 3.25Å; F172-C210 WeakPolarHBondContact O-CB 3.49Å; F172-C210 PolarHBondContact O-N 3Å
173K96.9Very high97.6Very high77 Ų7731.1 Ų31.134%0.33516%0.162SC..Hα-helixtrans-77.8-35.4177-72.3177.573.8176.60113V169 W170 L171 V207V169-K173 HydrophobicContact CG2-CD 4.18Å; V169-K173 VanDerWaalsContact O-CG 3.31Å; V169-K173 WeakPolarHBondContact O-CG 3.45Å; V169-K173 PolarHBondContact O-N 3.28Å; W170-K173 HydrophobicContact CE3-CB 4.46Å; W170-K173 PolarHBondContact O-N 2.72Å; L171-K173 PolarHBondContact O-N 2.92Å; K173-V207 HydrophobicContact CD-CG1 4.41Å; K173-V207 HydrophobicContact CG-CG1 4.05Å
174Q95Very high97.6Very high36 Ų3632.4 Ų32.417%0.16817%0.167CC..Hα-helixtrans-105.9-44.9-167.1-64.4-69.3109.200114.7V114 T117 L118 W170 L171 C210 A214V114-Q174 HydrophobicContact CG1-CG 4.31Å; T117-Q174 PolarHBondContact OG1-NE2 3.15Å; T117-Q174 VanDerWaalsContact OG1-NE2 3.15Å; L118-Q174 HydrophobicContact CD2-CG 4.31Å; W170-Q174 HydrophobicContact CE3-CG 3.77Å; W170-Q174 HydrophobicContact CZ3-CG 4.31Å; W170-Q174 WeakPolarHBondContact O-CB 3.5Å; W170-Q174 WeakPolarHBondContact O-CG 3.5Å; W170-Q174 PolarHBondContact O-N 3.04Å; L171-Q174 PolarHBondContact O-N 2.83Å; Q174-C210 VanDerWaalsContact C-SG 3.55Å; Q174-C210 PolarHBondContact O-SG 2.93Å; Q174-A214 HydrophobicContact CB-CB 4.34Å; Q174-A214 WeakPolarHBondContact O-CB 3.25Å; Q174-A214 PolarHBondContact O-N 3.39Å
175V96.9Very high97.6Very high0 Ų036 Ų360%019%0.19CC..THydrogen-bonded Turntrans-131-24.9-160.1-63.20000115.2W113 V114 T117 L171 E177 M213W113-V175 HydrophobicContact CD2-CB 4.16Å; W113-V175 HydrophobicContact CD2-CG2 3.72Å; W113-V175 HydrophobicContact CE3-CG2 3.92Å; W113-V175 HydrophobicContact CG-CG2 4.27Å; W113-V175 HydrophobicContact CH2-CB 4.2Å; W113-V175 HydrophobicContact CH2-CG2 3.99Å; W113-V175 HydrophobicContact CZ2-CB 3.62Å; W113-V175 HydrophobicContact CZ2-CG1 4.48Å; W113-V175 HydrophobicContact CZ2-CG2 3.82Å; W113-V175 HydrophobicContact CZ3-CG2 4.06Å; V114-V175 HydrophobicContact CG2-CG2 4.24Å; T117-V175 HydrophobicContact CG2-CG1 3.83Å; L171-V175 HydrophobicContact CB-CG2 4.5Å; L171-V175 HydrophobicContact CD2-CG2 3.6Å; L171-V175 PolarHBondContact O-N 3.15Å; V175-E177 PolarHBondContact O-N 3.11Å; V175-M213 HydrophobicContact CB-CG 4.03Å; V175-M213 HydrophobicContact CG1-CG 4.28Å; V175-M213 WeakPolarHBondContact O-CG 3.3Å
176L97.8Very high97.6Very high0 Ų037.6 Ų37.60%020%0.198CC..  trans-78.271.8177.4-61-177000110.2W113 V135 L139 L171 F172 F180 R181W113-L176 HydrophobicContact CH2-CD2 4Å; W113-L176 HydrophobicContact CZ3-CD2 3.9Å; V135-L176 HydrophobicContact CG1-CD2 4.14Å; L139-L176 HydrophobicContact CD1-CD2 4.22Å; L171-L176 HydrophobicContact CB-CD1 3.79Å; L171-L176 HydrophobicContact CB-CG 3.91Å; L171-L176 WeakPolarHBondContact O-CG 3.46Å; L171-L176 PolarHBondContact O-N 3.35Å; F172-L176 HydrophobicContact CD1-CD1 4.13Å; F172-L176 HydrophobicContact CD2-CD1 3.98Å; F172-L176 HydrophobicContact CE1-CD1 4.17Å; F172-L176 HydrophobicContact CE2-CD1 4.02Å; F172-L176 HydrophobicContact CG-CD1 4.04Å; F172-L176 HydrophobicContact CZ-CD1 4.11Å; L176-F180 HydrophobicContact CD2-CD1 3.35Å; L176-F180 HydrophobicContact CD2-CE1 3.39Å; L176-F180 HydrophobicContact CD2-CG 4.31Å; L176-F180 HydrophobicContact CD2-CZ 4.39Å; L176-R181 PolarHBondContact O-NH1 2.8Å
177E97.1Very high97.6Very high49 Ų4937.6 Ų37.623%0.22920%0.198CC..  trans-65.1166.7175.370.5174.5-164.900112.6V175 S179 F180 R181 M213V175-E177 PolarHBondContact O-N 3.11Å; E177-S179 VanDerWaalsContact C-N 3.33Å; E177-S179 WeakPolarHBondContact CG-OG 3.43Å; E177-S179 PolarHBondContact O-N 3.47Å; E177-S179 PolarHBondContact OE1-OG 3.28Å; E177-F180 HydrophobicContact CG-CB 4.26Å; E177-F180 PolarHBondContact O-N 2.82Å; E177-F180 VanDerWaalsContact O-N 3.08Å; E177-R181 VanDerWaalsContact C-NH1 3.31Å; E177-R181 WeakPolarHBondContact O-CG 3.17Å; E177-R181 PolarHBondContact O-N 3.21Å; E177-R181 VanDerWaalsContact O-N 3.14Å; E177-M213 HydrophobicContact CB-CB 4.36Å; E177-M213 HydrophobicContact CG-CB 4.2Å; E177-M213 HydrophobicContact CG-CE 4.39Å; E177-M213 WeakPolarHBondContact OE2-CB 3.32Å; E177-M213 PolarHBondContact OE2-N 2.93Å
178P98.1Very high97.7Very high64 Ų6438.5 Ų38.542%0.41620%0.203SC..Hα-helixtrans-52.6-44.9-172.9-27.935000114.3F180 R181 Q182 E211P178-F180 VanDerWaalsContact C-N 3.35Å; P178-F180 PolarHBondContact O-N 3.2Å; P178-R181 PolarHBondContact O-N 3.47Å; P178-Q182 VanDerWaalsContact O-CB 3.31Å; P178-Q182 WeakPolarHBondContact O-CB 3.3Å; P178-Q182 PolarHBondContact O-N 3.5Å; P178-E211 WeakPolarHBondContact CD-O 3.3Å
179S97.1Very high97.7Very high77 Ų7742.7 Ų42.754%0.53822%0.219SC..Hα-helixtrans-61.5-39.8179.356.30000112.5E177E177-S179 VanDerWaalsContact C-N 3.33Å; E177-S179 WeakPolarHBondContact CG-OG 3.43Å; E177-S179 PolarHBondContact O-N 3.47Å; E177-S179 PolarHBondContact OE1-OG 3.28Å
180F97.5Very high97.8Very high26 Ų2642.4 Ų42.411%0.11422%0.217CC..Hα-helixtrans-71.7-39.2-178.6-167.6-78.4000112W113 K132 V135 K136 L139 L176 E177 P178 P183 M213W113-F180 HydrophobicContact CH2-CD1 4.26Å; W113-F180 AromaticContact CH2-CD2 3.89Å; W113-F180 HydrophobicContact CH2-CD2 3.89Å; W113-F180 AromaticContact CH2-CE1 3.86Å; W113-F180 HydrophobicContact CH2-CE1 3.86Å; W113-F180 AromaticContact CH2-CE2 3.46Å; W113-F180 HydrophobicContact CH2-CE2 3.46Å; W113-F180 VanDerWaalsContact CH2-CE2 3.46Å; W113-F180 HydrophobicContact CH2-CG 4.27Å; W113-F180 AromaticContact CH2-CZ 3.43Å; W113-F180 HydrophobicContact CH2-CZ 3.43Å; W113-F180 VanDerWaalsContact CH2-CZ 3.43Å; W113-F180 HydrophobicContact CZ2-CE2 4.31Å; W113-F180 AromaticContact CZ3-CE1 3.98Å; W113-F180 HydrophobicContact CZ3-CE1 3.98Å; W113-F180 HydrophobicContact CZ3-CE2 4.09Å; W113-F180 AromaticContact CZ3-CZ 3.6Å; W113-F180 HydrophobicContact CZ3-CZ 3.6Å; K132-F180 HydrophobicContact CB-CE2 4.42Å; K132-F180 HydrophobicContact CG-CE2 4.5Å; V135-F180 HydrophobicContact CG1-CE1 4.26Å; K136-F180 HydrophobicContact CD-CZ 4.44Å; K136-F180 HydrophobicContact CG-CE1 4.23Å; K136-F180 HydrophobicContact CG-CE2 4.35Å; K136-F180 HydrophobicContact CG-CZ 3.69Å; L139-F180 HydrophobicContact CD1-CD1 4.32Å; L139-F180 HydrophobicContact CD1-CE1 3.83Å; L176-F180 HydrophobicContact CD2-CD1 3.35Å; L176-F180 HydrophobicContact CD2-CE1 3.39Å; L176-F180 HydrophobicContact CD2-CG 4.31Å; L176-F180 HydrophobicContact CD2-CZ 4.39Å; E177-F180 HydrophobicContact CG-CB 4.26Å; E177-F180 PolarHBondContact O-N 2.82Å; E177-F180 VanDerWaalsContact O-N 3.08Å; P178-F180 VanDerWaalsContact C-N 3.35Å; P178-F180 PolarHBondContact O-N 3.2Å; F180-P183 WeakPolarHBondContact O-CD 3.38Å; F180-M213 HydrophobicContact CD2-CE 4.23Å
181R97.4Very high97.9Very high38 Ų3839.8 Ų39.814%0.14321%0.207CC..Hα-helixtrans-88.8-12.2-177.870.8-175.3179.3-106.91.6114.3L176 E177 P178 P183 Y184 C210L176-R181 PolarHBondContact O-NH1 2.8Å; E177-R181 VanDerWaalsContact C-NH1 3.31Å; E177-R181 WeakPolarHBondContact O-CG 3.17Å; E177-R181 PolarHBondContact O-N 3.21Å; E177-R181 VanDerWaalsContact O-N 3.14Å; P178-R181 PolarHBondContact O-N 3.47Å; R181-P183 VanDerWaalsContact C-CD 3.42Å; R181-P183 VanDerWaalsContact C-N 3.32Å; R181-Y184 CarbonylContact O-C 3.31Å; R181-Y184 PolarHBondContact O-N 3.3Å; R181-C210 PolarHBondContact NH1-O 3.37Å
182Q98.1Very high98Very high141 Ų14142.1 Ų42.166%0.65922%0.222SC*.THydrogen-bonded Turntrans-52.7-40-179.8-171.9-82-9.900113.8P178 Y184P178-Q182 VanDerWaalsContact O-CB 3.31Å; P178-Q182 WeakPolarHBondContact O-CB 3.3Å; P178-Q182 PolarHBondContact O-N 3.5Å; Q182-Y184 PolarHBondContact O-N 3.29Å
183P98.5Very high98Very high69 Ų6944.2 Ų44.245%0.44824%0.235SC..THydrogen-bonded Turntrans-69-10.9177.7-21.835.3000114.5F180 R181 P185F180-P183 WeakPolarHBondContact O-CD 3.38Å; R181-P183 VanDerWaalsContact C-CD 3.42Å; R181-P183 VanDerWaalsContact C-N 3.32Å; P183-P185 WeakPolarHBondContact O-CD 3.43Å
184Y98.6Very high98.1Very high29 Ų2940.6 Ų40.611%0.11422%0.219CC..  trans-120.159.6-173.2-47.2-71.9000111.9K136 L139 T140 N143 R181 Q182 N186 V187 T188K136-Y184 WeakPolarHBondContact CB-OH 3.49Å; K136-Y184 PolarHBondContact O-OH 3.39Å; L139-Y184 HydrophobicContact CB-CD1 3.7Å; L139-Y184 HydrophobicContact CB-CD2 3.79Å; L139-Y184 HydrophobicContact CB-CE1 3.84Å; L139-Y184 HydrophobicContact CB-CE2 3.91Å; L139-Y184 HydrophobicContact CB-CG 3.66Å; L139-Y184 HydrophobicContact CD1-CD2 3.62Å; L139-Y184 HydrophobicContact CD1-CE2 3.74Å; L139-Y184 HydrophobicContact CD1-CG 4.27Å; L139-Y184 HydrophobicContact CG-CD2 4.29Å; L139-Y184 HydrophobicContact CG-CE2 4.49Å; L139-Y184 HydrophobicContact CG-CG 4.5Å; T140-Y184 WeakPolarHBondContact OG1-CE1 3.26Å; N143-Y184 HydrophobicContact CB-CD1 4.1Å; N143-Y184 VanDerWaalsContact OD1-CA 3.3Å; N143-Y184 WeakPolarHBondContact OD1-CA 3.37Å; R181-Y184 CarbonylContact O-C 3.31Å; R181-Y184 PolarHBondContact O-N 3.3Å; Q182-Y184 PolarHBondContact O-N 3.29Å; Y184-N186 VanDerWaalsContact C-N 3.34Å; Y184-N186 PolarHBondContact O-N 3.42Å; Y184-V187 PolarHBondContact O-N 3.1Å; Y184-T188 PolarHBondContact O-N 3.08Å; Y184-T188 VanDerWaalsContact O-N 3.1Å; Y184-T188 PolarHBondContact O-OG1 2.94Å; Y184-T188 VanDerWaalsContact O-OG1 3.11Å
185P98.6Very high98.2Very high75 Ų7539.1 Ų39.149%0.48721%0.212SC..Hα-helixtrans-65.7-34.1-173.427.6-36000112.9P183 T188 R189P183-P185 WeakPolarHBondContact O-CD 3.43Å; P185-T188 PolarHBondContact O-N 2.78Å; P185-R189 VanDerWaalsContact O-CB 3.29Å; P185-R189 WeakPolarHBondContact O-CB 3.28Å; P185-R189 PolarHBondContact O-N 3.19Å
186N98.8Very high98.3Very high35 Ų3542.7 Ų42.719%0.18723%0.232CC..Hα-helixtrans-70.3-38.4-178.7-60.7-41.1000111.5N143 L146 Y184 R189 W190N143-N186 PolarHBondContact O-ND2 2.91Å; N143-N186 VanDerWaalsContact O-ND2 3.11Å; N143-N186 WeakPolarHBondContact OD1-CA 3.3Å; N143-N186 VanDerWaalsContact OD1-CB 3.27Å; N143-N186 WeakPolarHBondContact OD1-CB 3.25Å; N143-N186 PolarHBondContact OD1-N 3.48Å; L146-N186 HydrophobicContact CB-CB 3.89Å; Y184-N186 VanDerWaalsContact C-N 3.34Å; Y184-N186 PolarHBondContact O-N 3.42Å; N186-R189 PolarHBondContact OD1-NH2 3.25Å; N186-W190 VanDerWaalsContact O-CB 3.3Å; N186-W190 WeakPolarHBondContact O-CB 3.34Å; N186-W190 PolarHBondContact O-N 2.83Å
187V98.7Very high98.4Very high0 Ų045.4 Ų45.40%024%0.244CC..Hα-helixtrans-66.8-44.8175.1-171.40000110.4L139 L142 N143 L146 M168 F172 Y184 R189 W190 F191L139-V187 HydrophobicContact CD2-CB 4.43Å; L139-V187 HydrophobicContact CD2-CG1 3.85Å; L139-V187 WeakPolarHBondContact O-CG2 3.09Å; L142-V187 HydrophobicContact CB-CG1 4.37Å; L142-V187 HydrophobicContact CB-CG2 3.63Å; L142-V187 HydrophobicContact CD1-CG1 4.4Å; N143-V187 VanDerWaalsContact CA-CG2 3.4Å; N143-V187 HydrophobicContact CB-CG2 3.61Å; N143-V187 PolarHBondContact OD1-N 3.41Å; L146-V187 HydrophobicContact CD1-CG2 4.43Å; M168-V187 HydrophobicContact CE-CG1 4.01Å; F172-V187 HydrophobicContact CZ-CG1 4.32Å; Y184-V187 PolarHBondContact O-N 3.1Å; V187-R189 VanDerWaalsContact C-N 3.34Å; V187-R189 PolarHBondContact O-N 2.98Å; V187-W190 HydrophobicContact CG1-CE3 4.17Å; V187-W190 HydrophobicContact CG1-CZ3 4.43Å; V187-W190 PolarHBondContact O-N 3.06Å; V187-F191 VanDerWaalsContact O-CB 3.3Å; V187-F191 WeakPolarHBondContact O-CB 3.46Å; V187-F191 PolarHBondContact O-N 3.05Å
188T98.6Very high98.4Very high27 Ų2747.4 Ų47.417%0.16626%0.262CS..Hα-helixtrans-61.3-45.1177.9-57.70000110.7Y184 P185 F191 V192Y184-T188 PolarHBondContact O-N 3.08Å; Y184-T188 VanDerWaalsContact O-N 3.1Å; Y184-T188 PolarHBondContact O-OG1 2.94Å; Y184-T188 VanDerWaalsContact O-OG1 3.11Å; P185-T188 PolarHBondContact O-N 2.78Å; T188-F191 PolarHBondContact O-N 3.13Å; T188-V192 WeakPolarHBondContact O-CB 3.45Å; T188-V192 VanDerWaalsContact O-CG2 3.25Å; T188-V192 WeakPolarHBondContact O-CG2 3.43Å; T188-V192 PolarHBondContact O-N 3.18Å
189R98.8Very high98.5Very high89 Ų8946.8 Ų46.834%0.33625%0.253SS..Hα-helixtrans-59-52.2175175.9-98.6-60.9-179.35.9111.6L146 R149 P185 N186 V187 F191 V192 T193L146-R189 PolarHBondContact O-NH2 3.13Å; R149-R189 PolarHBondContact O-NH1 3.45Å; P185-R189 VanDerWaalsContact O-CB 3.29Å; P185-R189 WeakPolarHBondContact O-CB 3.28Å; P185-R189 PolarHBondContact O-N 3.19Å; N186-R189 PolarHBondContact OD1-NH2 3.25Å; V187-R189 VanDerWaalsContact C-N 3.34Å; V187-R189 PolarHBondContact O-N 2.98Å; R189-F191 PolarHBondContact O-N 2.7Å; R189-V192 PolarHBondContact O-N 3.16Å; R189-T193 WeakPolarHBondContact O-CB 3.45Å; R189-T193 PolarHBondContact O-N 2.71Å; R189-T193 PolarHBondContact O-OG1 3Å
190W98.9Very high98.5Very high0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-59.7-44.7179.2161.882.9000112.4L146 L152 D161 V164 A165 M168 N186 V187 T193 C194L146-W190 HydrophobicContact CD1-CB 3.57Å; L146-W190 HydrophobicContact CD1-CD2 3.84Å; L146-W190 HydrophobicContact CD1-CE3 4.09Å; L146-W190 HydrophobicContact CD1-CG 3.59Å; L146-W190 HydrophobicContact CD2-CB 4.02Å; L146-W190 HydrophobicContact CD2-CG 3.81Å; L146-W190 HydrophobicContact CG-CB 4.35Å; L146-W190 HydrophobicContact CG-CG 4.36Å; L152-W190 HydrophobicContact CD1-CZ2 3.93Å; L152-W190 HydrophobicContact CG-CZ2 4.23Å; D161-W190 HydrophobicContact CB-CZ2 4.41Å; D161-W190 PolarHBondContact OD1-NE1 3.12Å; V164-W190 HydrophobicContact CB-CH2 3.84Å; V164-W190 HydrophobicContact CB-CZ2 4.2Å; V164-W190 HydrophobicContact CG1-CH2 3.47Å; V164-W190 VanDerWaalsContact CG1-CH2 3.47Å; V164-W190 HydrophobicContact CG1-CZ2 4.19Å; V164-W190 HydrophobicContact CG1-CZ3 4.13Å; A165-W190 HydrophobicContact CB-CH2 3.86Å; A165-W190 HydrophobicContact CB-CZ2 4.19Å; M168-W190 HydrophobicContact SD-CZ3 4.11Å; N186-W190 VanDerWaalsContact O-CB 3.3Å; N186-W190 WeakPolarHBondContact O-CB 3.34Å; N186-W190 PolarHBondContact O-N 2.83Å; V187-W190 HydrophobicContact CG1-CE3 4.17Å; V187-W190 HydrophobicContact CG1-CZ3 4.43Å; V187-W190 PolarHBondContact O-N 3.06Å; W190-T193 WeakPolarHBondContact O-CB 3.39Å; W190-T193 PolarHBondContact O-N 3.08Å; W190-C194 PolarHBondContact NE1-SG 2.92Å; W190-C194 VanDerWaalsContact NE1-SG 3.4Å; W190-C194 PolarHBondContact O-N 2.99Å; W190-C194 PolarHBondContact O-SG 3.3Å
191F98.9Very high98.6Very high0 Ų046.3 Ų46.30%024%0.241CC..Hα-helixtrans-62.1-48.3179.5179-95.7000110.7A165 M168 V169 F172 V187 T188 R189 T193 C194 V195 V207 L209A165-F191 HydrophobicContact CB-CD2 4.31Å; A165-F191 HydrophobicContact CB-CE2 4.44Å; M168-F191 HydrophobicContact CB-CE2 4.44Å; V169-F191 HydrophobicContact CG2-CZ 4.36Å; F172-F191 HydrophobicContact CB-CD1 4.16Å; F172-F191 HydrophobicContact CB-CE1 3.51Å; F172-F191 HydrophobicContact CB-CE2 4.38Å; F172-F191 HydrophobicContact CB-CZ 3.63Å; F172-F191 AromaticContact CD1-CD1 3.84Å; F172-F191 HydrophobicContact CD1-CD1 3.84Å; F172-F191 HydrophobicContact CD1-CE1 4.06Å; F172-F191 HydrophobicContact CD1-CG 4.38Å; F172-F191 HydrophobicContact CD2-CB 4.37Å; F172-F191 AromaticContact CD2-CD1 3.65Å; F172-F191 HydrophobicContact CD2-CD1 3.65Å; F172-F191 AromaticContact CD2-CD2 3.51Å; F172-F191 HydrophobicContact CD2-CD2 3.51Å; F172-F191 AromaticContact CD2-CE1 3.71Å; F172-F191 HydrophobicContact CD2-CE1 3.71Å; F172-F191 AromaticContact CD2-CE2 3.56Å; F172-F191 HydrophobicContact CD2-CE2 3.56Å; F172-F191 AromaticContact CD2-CG 3.56Å; F172-F191 HydrophobicContact CD2-CG 3.56Å; F172-F191 AromaticContact CD2-CZ 3.66Å; F172-F191 HydrophobicContact CD2-CZ 3.66Å; F172-F191 HydrophobicContact CE1-CB 4.4Å; F172-F191 HydrophobicContact CE1-CD1 4.09Å; F172-F191 HydrophobicContact CE1-CG 4.3Å; F172-F191 HydrophobicContact CE2-CB 3.77Å; F172-F191 AromaticContact CE2-CD1 3.91Å; F172-F191 HydrophobicContact CE2-CD1 3.91Å; F172-F191 AromaticContact CE2-CD2 3.59Å; F172-F191 HydrophobicContact CE2-CD2 3.59Å; F172-F191 HydrophobicContact CE2-CE1 4.43Å; F172-F191 HydrophobicContact CE2-CE2 4.13Å; F172-F191 AromaticContact CE2-CG 3.46Å; F172-F191 HydrophobicContact CE2-CG 3.46Å; F172-F191 VanDerWaalsContact CE2-CG 3.46Å; F172-F191 AromaticContact CG-CD1 3.61Å; F172-F191 HydrophobicContact CG-CD1 3.61Å; F172-F191 HydrophobicContact CG-CD2 4.3Å; F172-F191 AromaticContact CG-CE1 3.49Å; F172-F191 HydrophobicContact CG-CE1 3.49Å; F172-F191 VanDerWaalsContact CG-CE1 3.49Å; F172-F191 HydrophobicContact CG-CE2 4.19Å; F172-F191 HydrophobicContact CG-CG 4.03Å; F172-F191 AromaticContact CG-CZ 3.79Å; F172-F191 HydrophobicContact CG-CZ 3.79Å; F172-F191 HydrophobicContact CZ-CB 3.8Å; F172-F191 HydrophobicContact CZ-CD1 4.13Å; F172-F191 HydrophobicContact CZ-CD2 4.43Å; F172-F191 AromaticContact CZ-CG 3.86Å; F172-F191 HydrophobicContact CZ-CG 3.86Å; V187-F191 VanDerWaalsContact O-CB 3.3Å; V187-F191 WeakPolarHBondContact O-CB 3.46Å; V187-F191 PolarHBondContact O-N 3.05Å; T188-F191 PolarHBondContact O-N 3.13Å; R189-F191 PolarHBondContact O-N 2.7Å; F191-T193 VanDerWaalsContact C-N 3.32Å; F191-T193 PolarHBondContact O-N 3Å; F191-C194 PolarHBondContact O-N 2.9Å; F191-C194 VanDerWaalsContact O-N 3.16Å; F191-V195 HydrophobicContact CD1-CG1 4.29Å; F191-V195 HydrophobicContact CD1-CG2 4.48Å; F191-V195 HydrophobicContact CD2-CG1 4.3Å; F191-V195 HydrophobicContact CE1-CG1 3.81Å; F191-V195 HydrophobicContact CE1-CG2 4.25Å; F191-V195 HydrophobicContact CE2-CG1 3.85Å; F191-V195 HydrophobicContact CZ-CG1 3.58Å; F191-V195 WeakPolarHBondContact O-CG2 3.09Å; F191-V195 PolarHBondContact O-N 2.89Å; F191-V207 HydrophobicContact CE1-CG1 4.25Å; F191-V207 HydrophobicContact CZ-CG1 4.4Å; F191-L209 HydrophobicContact CD1-CD2 4.15Å; F191-L209 HydrophobicContact CE1-CD2 3.79Å
192V98.7Very high98.6Very high52 Ų5247.7 Ų47.732%0.31526%0.261SS..Hα-helixtrans-60.2-42.5176.1171.60000110.9T188 R189 C194 N196 L209T188-V192 WeakPolarHBondContact O-CB 3.45Å; T188-V192 VanDerWaalsContact O-CG2 3.25Å; T188-V192 WeakPolarHBondContact O-CG2 3.43Å; T188-V192 PolarHBondContact O-N 3.18Å; R189-V192 PolarHBondContact O-N 3.16Å; V192-C194 PolarHBondContact O-N 2.81Å; V192-N196 VanDerWaalsContact O-CB 3.29Å; V192-N196 WeakPolarHBondContact O-CB 3.14Å; V192-N196 PolarHBondContact O-N 3.43Å; V192-N196 PolarHBondContact O-ND2 3Å; V192-L209 HydrophobicContact CG2-CD1 3.96Å
193T98.8Very high98.6Very high45 Ų4542.1 Ų42.128%0.27624%0.236SC..Hα-helixtrans-59.3-44.6174.5-64.30000111.6F151 R189 W190 F191 Q197F151-T193 HydrophobicContact CE1-CG2 4.2Å; F151-T193 HydrophobicContact CZ-CG2 4.22Å; R189-T193 WeakPolarHBondContact O-CB 3.45Å; R189-T193 PolarHBondContact O-N 2.71Å; R189-T193 PolarHBondContact O-OG1 3Å; W190-T193 WeakPolarHBondContact O-CB 3.39Å; W190-T193 PolarHBondContact O-N 3.08Å; F191-T193 VanDerWaalsContact C-N 3.32Å; F191-T193 PolarHBondContact O-N 3Å; T193-Q197 WeakPolarHBondContact O-CG 3.43Å; T193-Q197 PolarHBondContact O-N 3.28Å; T193-Q197 PolarHBondContact O-NE2 2.88Å
194C98.8Very high98.5Very high0 Ų040 Ų400%022%0.221CC..Hα-helixtrans-65.8-55.9-179.8-69.10000111.7A165 W190 F191 V192 N196 Q197 F200A165-C194 HydrophobicContact CB-CB 4.31Å; W190-C194 PolarHBondContact NE1-SG 2.92Å; W190-C194 VanDerWaalsContact NE1-SG 3.4Å; W190-C194 PolarHBondContact O-N 2.99Å; W190-C194 PolarHBondContact O-SG 3.3Å; F191-C194 PolarHBondContact O-N 2.9Å; F191-C194 VanDerWaalsContact O-N 3.16Å; V192-C194 PolarHBondContact O-N 2.81Å; C194-N196 PolarHBondContact O-N 3.03Å; C194-N196 VanDerWaalsContact O-N 3.08Å; C194-Q197 WeakPolarHBondContact O-CB 3.43Å; C194-Q197 WeakPolarHBondContact O-CG 3.34Å; C194-Q197 PolarHBondContact O-N 3.08Å; C194-F200 HydrophobicContact CB-CE1 4.11Å; C194-F200 HydrophobicContact CB-CZ 4.12Å; C194-F200 VanDerWaalsContact O-CB 3.23Å; C194-F200 WeakPolarHBondContact O-CB 3.46Å; C194-F200 VanDerWaalsContact O-CD2 3.31Å; C194-F200 WeakPolarHBondContact O-CD2 3.43Å; C194-F200 WeakPolarHBondContact O-CG 3.33Å
195V98.6Very high98.4Very high5 Ų540.3 Ų40.33%0.0323%0.233CC..Hα-helixtrans-65.8-17.3-175.5-570000113.2F191 K201 L204 V207F191-V195 HydrophobicContact CD1-CG1 4.29Å; F191-V195 HydrophobicContact CD1-CG2 4.48Å; F191-V195 HydrophobicContact CD2-CG1 4.3Å; F191-V195 HydrophobicContact CE1-CG1 3.81Å; F191-V195 HydrophobicContact CE1-CG2 4.25Å; F191-V195 HydrophobicContact CE2-CG1 3.85Å; F191-V195 HydrophobicContact CZ-CG1 3.58Å; F191-V195 WeakPolarHBondContact O-CG2 3.09Å; F191-V195 PolarHBondContact O-N 2.89Å; V195-K201 VanDerWaalsContact O-CG 3.32Å; V195-K201 WeakPolarHBondContact O-CG 3.26Å; V195-L204 HydrophobicContact CB-CD1 4.35Å; V195-L204 HydrophobicContact CG1-CD1 4Å; V195-V207 HydrophobicContact CB-CB 4.35Å; V195-V207 HydrophobicContact CB-CG2 4.04Å; V195-V207 HydrophobicContact CG1-CG2 4.36Å; V195-V207 HydrophobicContact CG2-CB 4.18Å; V195-V207 HydrophobicContact CG2-CG2 4.42Å
196N98.6Very high98.3Very high76 Ų7645.5 Ų45.541%0.40625%0.251SS..THydrogen-bonded Turntrans-91.4-5.4174.9-78.4-74.8000115V192 C194 K201V192-N196 VanDerWaalsContact O-CB 3.29Å; V192-N196 WeakPolarHBondContact O-CB 3.14Å; V192-N196 PolarHBondContact O-N 3.43Å; V192-N196 PolarHBondContact O-ND2 3Å; C194-N196 PolarHBondContact O-N 3.03Å; C194-N196 VanDerWaalsContact O-N 3.08Å; N196-K201 WeakPolarHBondContact OD1-CE 3.43Å; N196-K201 PolarHBondContact OD1-NZ 2.77Å
197Q98.7Very high98.2Very high56 Ų5645 Ų4526%0.26225%0.249SC..SBendtrans-61.3143.3170.5-64.5-60.4-30.600110.1Y24 V157 T193 C194 Q199 F200 K201Y24-Q197 WeakPolarHBondContact OH-CB 3.3Å; V157-Q197 HydrophobicContact CG2-CG 4.4Å; T193-Q197 WeakPolarHBondContact O-CG 3.43Å; T193-Q197 PolarHBondContact O-N 3.28Å; T193-Q197 PolarHBondContact O-NE2 2.88Å; C194-Q197 WeakPolarHBondContact O-CB 3.43Å; C194-Q197 WeakPolarHBondContact O-CG 3.34Å; C194-Q197 PolarHBondContact O-N 3.08Å; Q197-Q199 PolarHBondContact O-N 3.41Å; Q197-Q199 VanDerWaalsContact O-N 3.16Å; Q197-F200 HydrophobicContact CB-CB 4.42Å; Q197-F200 HydrophobicContact CB-CD2 3.92Å; Q197-F200 HydrophobicContact CG-CD2 4.43Å; Q197-F200 PolarHBondContact O-N 3.05Å; Q197-K201 PolarHBondContact O-N 3.28Å
198P98.6Very high98.1Very high92 Ų9251 Ų5160%0.59728%0.275SS*.Hα-helixtrans-52.7-40.5-179.2-27.834.9000113.6K201 A202P198-K201 PolarHBondContact O-N 3.44Å; P198-A202 WeakPolarHBondContact O-CB 3.42Å; P198-A202 PolarHBondContact O-N 3.06Å
199Q98.6Very high98.1Very high51 Ų5151.6 Ų51.624%0.23828%0.277CS..Hα-helixtrans-67.7-36-179.9-63.984.6-7.600112.6Q23 Y24 Q197Q23-Q199 HydrophobicContact CB-CB 3.67Å; Q23-Q199 HydrophobicContact CB-CG 3.84Å; Y24-Q199 HydrophobicContact CD1-CB 4.47Å; Y24-Q199 HydrophobicContact CD1-CG 3.81Å; Y24-Q199 HydrophobicContact CD2-CB 3.7Å; Y24-Q199 HydrophobicContact CD2-CG 3.87Å; Y24-Q199 HydrophobicContact CE1-CB 4.16Å; Y24-Q199 HydrophobicContact CE1-CG 3.71Å; Y24-Q199 HydrophobicContact CE2-CB 3.33Å; Y24-Q199 HydrophobicContact CE2-CG 3.78Å; Y24-Q199 HydrophobicContact CG-CB 4.24Å; Y24-Q199 HydrophobicContact CG-CG 3.87Å; Y24-Q199 PolarHBondContact OH-OE1 3.02Å; Q197-Q199 PolarHBondContact O-N 3.41Å; Q197-Q199 VanDerWaalsContact O-N 3.16Å
200F98.7Very high98Very high0 Ų047.6 Ų47.60%026%0.263CS..Hα-helixtrans-72.4-48173.6-81.3-109.4000110.6I20 Y24 V157 I162 A165 C194 Q197 A202 V203 L204I20-F200 HydrophobicContact CD1-CD1 3.68Å; I20-F200 HydrophobicContact CD1-CE1 3.99Å; I20-F200 HydrophobicContact CD1-CG 4.13Å; I20-F200 HydrophobicContact CG2-CD1 4.38Å; I20-F200 HydrophobicContact CG2-CD2 3.7Å; I20-F200 HydrophobicContact CG2-CE1 4.39Å; I20-F200 HydrophobicContact CG2-CE2 3.75Å; I20-F200 HydrophobicContact CG2-CG 4.06Å; I20-F200 HydrophobicContact CG2-CZ 4.11Å; Y24-F200 HydrophobicContact CE2-CD2 4.01Å; Y24-F200 AromaticContact CE2-CE2 3.85Å; Y24-F200 HydrophobicContact CE2-CE2 3.85Å; V157-F200 HydrophobicContact CG1-CE2 4Å; I162-F200 HydrophobicContact CB-CZ 4.22Å; I162-F200 HydrophobicContact CG1-CE2 3.99Å; I162-F200 HydrophobicContact CG1-CZ 3.65Å; A165-F200 HydrophobicContact CB-CE1 4Å; C194-F200 HydrophobicContact CB-CE1 4.11Å; C194-F200 HydrophobicContact CB-CZ 4.12Å; C194-F200 VanDerWaalsContact O-CB 3.23Å; C194-F200 WeakPolarHBondContact O-CB 3.46Å; C194-F200 VanDerWaalsContact O-CD2 3.31Å; C194-F200 WeakPolarHBondContact O-CD2 3.43Å; C194-F200 WeakPolarHBondContact O-CG 3.33Å; Q197-F200 HydrophobicContact CB-CB 4.42Å; Q197-F200 HydrophobicContact CB-CD2 3.92Å; Q197-F200 HydrophobicContact CG-CD2 4.43Å; Q197-F200 PolarHBondContact O-N 3.05Å; F200-A202 VanDerWaalsContact C-N 3.26Å; F200-A202 PolarHBondContact O-N 3.42Å; F200-V203 PolarHBondContact O-N 3.3Å; F200-L204 HydrophobicContact CB-CD1 4.39Å; F200-L204 HydrophobicContact CD1-CD1 3.94Å; F200-L204 WeakPolarHBondContact O-CB 3.42Å; F200-L204 PolarHBondContact O-N 2.89Å
201K98Very high97.8Very high93 Ų9354 Ų5440%0.40429%0.293SS..Hα-helixtrans-57.7-37.4178.3-80.4-174.9160.5161.30113V195 N196 Q197 P198 V203 G205V195-K201 VanDerWaalsContact O-CG 3.32Å; V195-K201 WeakPolarHBondContact O-CG 3.26Å; N196-K201 WeakPolarHBondContact OD1-CE 3.43Å; N196-K201 PolarHBondContact OD1-NZ 2.77Å; Q197-K201 PolarHBondContact O-N 3.28Å; P198-K201 PolarHBondContact O-N 3.44Å; K201-V203 PolarHBondContact O-N 3.48Å; K201-V203 VanDerWaalsContact O-N 3.16Å; K201-G205 VanDerWaalsContact O-CA 3.26Å; K201-G205 WeakPolarHBondContact O-CA 3.36Å; K201-G205 PolarHBondContact O-N 3.48Å
202A98Very high97.6Very high67 Ų6762.2 Ų62.255%0.55433%0.328SS*.Hα-helixtrans-59.7-24176.800000113.3Q23 P198 F200Q23-A202 HydrophobicContact CG-CB 4.4Å; P198-A202 WeakPolarHBondContact O-CB 3.42Å; P198-A202 PolarHBondContact O-N 3.06Å; F200-A202 VanDerWaalsContact C-N 3.26Å; F200-A202 PolarHBondContact O-N 3.42Å
203V97.9Very high97.3Very high24 Ų2461 Ų6115%0.14532%0.32CS..Hα-helixtrans-107.4-46.6-177.6178.60000111.9F16 Q19 I20 Q23 F200 K201F16-V203 HydrophobicContact CB-CG1 4.12Å; F16-V203 HydrophobicContact CD1-CG1 3.59Å; F16-V203 HydrophobicContact CE1-CG1 4.25Å; F16-V203 HydrophobicContact CG-CG1 4.07Å; Q19-V203 HydrophobicContact CB-CB 4.45Å; Q19-V203 HydrophobicContact CB-CG1 3.72Å; Q19-V203 HydrophobicContact CB-CG2 3.8Å; I20-V203 HydrophobicContact CD1-CB 4.49Å; I20-V203 HydrophobicContact CG1-CB 3.74Å; I20-V203 HydrophobicContact CG1-CG1 4Å; I20-V203 HydrophobicContact CG1-CG2 3.78Å; Q23-V203 HydrophobicContact CG-CG2 3.99Å; F200-V203 PolarHBondContact O-N 3.3Å; K201-V203 PolarHBondContact O-N 3.48Å; K201-V203 VanDerWaalsContact O-N 3.16Å
204L96.4Very high96.8Very high23 Ų2360.2 Ų60.212%0.1232%0.318CS..Hα-helixtrans-84.8-16.4-175.2-58.3-178.5000113.1F16 I20 V195 F200 V207F16-L204 HydrophobicContact CB-CD2 4.03Å; F16-L204 HydrophobicContact CD1-CD2 4.45Å; F16-L204 HydrophobicContact CD2-CD2 3.24Å; F16-L204 HydrophobicContact CE2-CD2 3.66Å; F16-L204 HydrophobicContact CG-CD2 3.7Å; F16-L204 HydrophobicContact CZ-CD2 4.38Å; I20-L204 HydrophobicContact CD1-CD1 4.35Å; I20-L204 HydrophobicContact CD1-CD2 4.34Å; I20-L204 HydrophobicContact CD1-CG 4.19Å; V195-L204 HydrophobicContact CB-CD1 4.35Å; V195-L204 HydrophobicContact CG1-CD1 4Å; F200-L204 HydrophobicContact CB-CD1 4.39Å; F200-L204 HydrophobicContact CD1-CD1 3.94Å; F200-L204 WeakPolarHBondContact O-CB 3.42Å; F200-L204 PolarHBondContact O-N 2.89Å; L204-V207 HydrophobicContact CB-CG2 3.92Å; L204-V207 HydrophobicContact CD1-CG2 4.31Å
205G96.8Very high96Very high36 Ų3666.4 Ų66.437%0.37135%0.347SS..  trans64.3-150.7-167.300000112.1K201K201-G205 VanDerWaalsContact O-CA 3.26Å; K201-G205 WeakPolarHBondContact O-CA 3.36Å; K201-G205 PolarHBondContact O-N 3.48Å
206E95.9Very high95.1Very high184 Ų18469.3 Ų69.386%0.8636%0.359SS*.  trans-79.7120.2173.6-171.1174.7177.100110.7K208E206-K208 PolarHBondContact O-N 3.07Å
207V97.1Very high94Very high24 Ų2469.3 Ų69.315%0.14536%0.359CS..  trans-9598.9178.7-1780000109.6K173 F191 V195 L204 L209K173-V207 HydrophobicContact CD-CG1 4.41Å; K173-V207 HydrophobicContact CG-CG1 4.05Å; F191-V207 HydrophobicContact CE1-CG1 4.25Å; F191-V207 HydrophobicContact CZ-CG1 4.4Å; V195-V207 HydrophobicContact CB-CB 4.35Å; V195-V207 HydrophobicContact CB-CG2 4.04Å; V195-V207 HydrophobicContact CG1-CG2 4.36Å; V195-V207 HydrophobicContact CG2-CB 4.18Å; V195-V207 HydrophobicContact CG2-CG2 4.42Å; L204-V207 HydrophobicContact CB-CG2 3.92Å; L204-V207 HydrophobicContact CD1-CG2 4.31Å; V207-L209 HydrophobicContact CG1-CD2 4.49Å; V207-L209 PolarHBondContact O-N 3.22Å
208K97.2Very high92.5Very high128 Ų12869.7 Ų69.756%0.55737%0.372SS*.PPolyproline II helixtrans-74.6121.9169.1-173.4176.6178.4-179.20110.1E206 E211E206-K208 PolarHBondContact O-N 3.07Å; K208-E211 VanDerWaalsContact CE-CD 3.46Å; K208-E211 WeakPolarHBondContact CE-OE1 3.11Å; K208-E211 VanDerWaalsContact NZ-CD 3.29Å; K208-E211 IonicContact NZ-OE1 2.68Å; K208-E211 PolarHBondContact NZ-OE1 3.04Å; K208-E211 IonicContact NZ-OE2 2.79Å; K208-E211 PolarHBondContact NZ-OE2 3.39Å
209L97.9Very high91.2Very high39 Ų3973 Ų7320%0.20438%0.377CS..PPolyproline II helixtrans-73.2148174.9-56-175.5000110.9F172 F191 V192 V207 E211F172-L209 HydrophobicContact CB-CD2 4.11Å; F172-L209 HydrophobicContact CD1-CD2 4.07Å; F172-L209 HydrophobicContact CG-CD2 4.43Å; F191-L209 HydrophobicContact CD1-CD2 4.15Å; F191-L209 HydrophobicContact CE1-CD2 3.79Å; V192-L209 HydrophobicContact CG2-CD1 3.96Å; V207-L209 HydrophobicContact CG1-CD2 4.49Å; V207-L209 PolarHBondContact O-N 3.22Å; L209-E211 PolarHBondContact O-N 3.22Å
210C96.2Very high89.8Confident5 Ų574.8 Ų74.83%0.03438%0.384CS..PPolyproline II helixtrans-55122.2175.8176.40000110.9F172 Q174 R181 K212F172-C210 VanDerWaalsContact O-CB 3.25Å; F172-C210 WeakPolarHBondContact O-CB 3.49Å; F172-C210 PolarHBondContact O-N 3Å; Q174-C210 VanDerWaalsContact C-SG 3.55Å; Q174-C210 PolarHBondContact O-SG 2.93Å; R181-C210 PolarHBondContact NH1-O 3.37Å; C210-K212 PolarHBondContact SG-O 3.01Å
211E95.7Very high88.2Confident135 Ų13577.2 Ų77.263%0.63139%0.394SS*.SBendtrans-89.1-35.2173.2-72166.5-178.300111.3P178 K208 L209P178-E211 WeakPolarHBondContact CD-O 3.3Å; K208-E211 VanDerWaalsContact CE-CD 3.46Å; K208-E211 WeakPolarHBondContact CE-OE1 3.11Å; K208-E211 VanDerWaalsContact NZ-CD 3.29Å; K208-E211 IonicContact NZ-OE1 2.68Å; K208-E211 PolarHBondContact NZ-OE1 3.04Å; K208-E211 IonicContact NZ-OE2 2.79Å; K208-E211 PolarHBondContact NZ-OE2 3.39Å; L209-E211 PolarHBondContact O-N 3.22Å
212K94.8Very high86.7Confident171 Ų17175.8 Ų75.874%0.74340%0.4SS*.SBendtrans-142133.1179-176.6179.1-178.4-179.70109.4C210 A214C210-K212 PolarHBondContact SG-O 3.01Å; K212-A214 PolarHBondContact O-N 2.99Å; K212-A214 VanDerWaalsContact O-N 3.15Å
213M92.4Very high85.4Confident28 Ų2879.8 Ų79.814%0.13841%0.407CS..  trans-57.2117.6-176.4-176.5-176.3-5600111W113 V175 E177 F180 Q215W113-M213 HydrophobicContact CH2-CE 4.37Å; W113-M213 HydrophobicContact CZ2-CE 3.72Å; W113-M213 HydrophobicContact CZ2-CG 4.42Å; W113-M213 HydrophobicContact CZ2-SD 3.79Å; V175-M213 HydrophobicContact CB-CG 4.03Å; V175-M213 HydrophobicContact CG1-CG 4.28Å; V175-M213 WeakPolarHBondContact O-CG 3.3Å; E177-M213 HydrophobicContact CB-CB 4.36Å; E177-M213 HydrophobicContact CG-CB 4.2Å; E177-M213 HydrophobicContact CG-CE 4.39Å; E177-M213 WeakPolarHBondContact OE2-CB 3.32Å; E177-M213 PolarHBondContact OE2-N 2.93Å; F180-M213 HydrophobicContact CD2-CE 4.23Å; M213-Q215 PolarHBondContact O-NE2 3.44Å
214A88.4Confident83.7Confident28 Ų2883.3 Ų83.323%0.23142%0.423CS..  trans-59.3141176.100000110.6T117 Q174 K212T117-A214 HydrophobicContact CG2-CB 4.09Å; Q174-A214 HydrophobicContact CB-CB 4.34Å; Q174-A214 WeakPolarHBondContact O-CB 3.25Å; Q174-A214 PolarHBondContact O-N 3.39Å; K212-A214 PolarHBondContact O-N 2.99Å; K212-A214 VanDerWaalsContact O-N 3.15Å
215Q82.6Confident81.8Confident130 Ų13086.4 Ų86.461%0.60744%0.437SS*.  trans-107.8161.6176.8-59.4-59.4-4700109.6M213 D217M213-Q215 PolarHBondContact O-NE2 3.44Å; Q215-D217 PolarHBondContact O-N 3.08Å
216F79Confident79.5Confident65 Ų6589.9 Ų89.929%0.28545%0.453SS..  trans-60.6135.5170.6173.9-102.3000110.5P116 F123 A218 F221P116-F216 HydrophobicContact CB-CD2 4Å; P116-F216 VanDerWaalsContact O-CD2 3.24Å; P116-F216 WeakPolarHBondContact O-CD2 3.48Å; F123-F216 HydrophobicContact CB-CB 3.73Å; F123-F216 HydrophobicContact CB-CD1 3.99Å; F123-F216 HydrophobicContact CB-CD2 3.74Å; F123-F216 HydrophobicContact CB-CE2 4.36Å; F123-F216 HydrophobicContact CB-CG 3.54Å; F123-F216 HydrophobicContact CD2-CB 4.17Å; F123-F216 HydrophobicContact CG-CB 4.06Å; F123-F216 HydrophobicContact CG-CG 4.38Å; F216-A218 HydrophobicContact CE1-CB 3.86Å; F216-A218 HydrophobicContact CZ-CB 4.43Å; F216-F221 HydrophobicContact CE2-CB 3.74Å; F216-F221 HydrophobicContact CE2-CD2 4.13Å; F216-F221 AromaticContact CE2-CG 3.96Å; F216-F221 HydrophobicContact CE2-CG 3.96Å; F216-F221 HydrophobicContact CZ-CB 3.74Å; F216-F221 HydrophobicContact CZ-CD1 4.33Å; F216-F221 AromaticContact CZ-CG 3.95Å; F216-F221 HydrophobicContact CZ-CG 3.95Å
217D74.3Confident76.8Confident76 Ų7690.1 Ų90.141%0.40645%0.451SS..  trans-119.5110.1175.3-174.8-24.7000109.1Q215 K219 K220 F221Q215-D217 PolarHBondContact O-N 3.08Å; D217-K219 VanDerWaalsContact C-N 3.26Å; D217-K219 PolarHBondContact O-N 2.81Å; D217-K219 WeakPolarHBondContact OD1-CB 3.4Å; D217-K219 PolarHBondContact OD1-N 3.31Å; D217-K220 HydrophobicContact CB-CB 3.83Å; D217-K220 PolarHBondContact O-N 3.47Å; D217-K220 PolarHBondContact OD1-N 2.91Å; D217-F221 PolarHBondContact O-N 2.94Å
218A68.2Low73.7Confident64 Ų6493.5 Ų93.553%0.52946%0.464SS..Hα-helixtrans-62.3-31.4-17900000113F216 A222F216-A218 HydrophobicContact CE1-CB 3.86Å; F216-A218 HydrophobicContact CZ-CB 4.43Å; A218-A222 PolarHBondContact O-N 3.18Å
219K70.3Confident70.4Confident162 Ų16296.5 Ų96.570%0.70448%0.48SS*.Hα-helixtrans-70.1-45.8177.1-66.7179.2174.3178.50110.4D217 F221 A222 E223D217-K219 VanDerWaalsContact C-N 3.26Å; D217-K219 PolarHBondContact O-N 2.81Å; D217-K219 WeakPolarHBondContact OD1-CB 3.4Å; D217-K219 PolarHBondContact OD1-N 3.31Å; K219-F221 VanDerWaalsContact C-N 3.28Å; K219-F221 PolarHBondContact O-N 3.23Å; K219-A222 PolarHBondContact O-N 3.36Å; K219-A222 VanDerWaalsContact O-N 3.14Å; K219-E223 WeakPolarHBondContact O-CG 3.38Å; K219-E223 PolarHBondContact O-N 3.42Å
220K70.4Confident66.9Low89 Ų89100.6 Ų100.639%0.38751%0.507SS..Hα-helixtrans-62.7-37.2177.6-155.9177.1-174.4178.20111.9D217 M224D217-K220 HydrophobicContact CB-CB 3.83Å; D217-K220 PolarHBondContact O-N 3.47Å; D217-K220 PolarHBondContact OD1-N 2.91Å; K220-M224 WeakPolarHBondContact O-CB 3.05Å; K220-M224 WeakPolarHBondContact O-CG 3.22Å; K220-M224 PolarHBondContact O-N 3.33Å
221F64.8Low63.8Low50 Ų50106.2 Ų106.222%0.21954%0.543CS..Hα-helixtrans-61.7-46.5171.7179.6-102000112.1G119 M121 Q122 F216 D217 K219 E223 M224 Q225G119-F221 VanDerWaalsContact O-CD2 3.27Å; G119-F221 WeakPolarHBondContact O-CD2 3.18Å; M121-F221 VanDerWaalsContact C-CE2 3.46Å; Q122-F221 HydrophobicContact CB-CE2 4.45Å; Q122-F221 HydrophobicContact CB-CZ 4.28Å; F216-F221 HydrophobicContact CE2-CB 3.74Å; F216-F221 HydrophobicContact CE2-CD2 4.13Å; F216-F221 AromaticContact CE2-CG 3.96Å; F216-F221 HydrophobicContact CE2-CG 3.96Å; F216-F221 HydrophobicContact CZ-CB 3.74Å; F216-F221 HydrophobicContact CZ-CD1 4.33Å; F216-F221 AromaticContact CZ-CG 3.95Å; F216-F221 HydrophobicContact CZ-CG 3.95Å; D217-F221 PolarHBondContact O-N 2.94Å; K219-F221 VanDerWaalsContact C-N 3.28Å; K219-F221 PolarHBondContact O-N 3.23Å; F221-E223 PolarHBondContact O-N 2.88Å; F221-M224 PolarHBondContact O-N 3.47Å; F221-Q225 PolarHBondContact O-N 3Å
222A66.7Low60.6Low63 Ų63104.9 Ų104.952%0.52156%0.555SS.*Hα-helixtrans-64.1-37.9177.900000113.1A218 K219 M224 Q225A218-A222 PolarHBondContact O-N 3.18Å; K219-A222 PolarHBondContact O-N 3.36Å; K219-A222 VanDerWaalsContact O-N 3.14Å; A222-M224 VanDerWaalsContact C-N 3.31Å; A222-M224 PolarHBondContact O-N 3.38Å; A222-Q225 PolarHBondContact O-N 3.16Å
223E69.8Low57.5Low151 Ų151106.4 Ų106.471%0.70656%0.562SS**Hα-helixtrans-69-27.7177.3-72.9175.4178.800113.7K219 F221 Q225K219-E223 WeakPolarHBondContact O-CG 3.38Å; K219-E223 PolarHBondContact O-N 3.42Å; F221-E223 PolarHBondContact O-N 2.88Å; E223-Q225 VanDerWaalsContact C-N 3.34Å
224M63.4Low54.4Low99 Ų99115.3 Ų115.349%0.48860%0.6SS.*Hα-helixtrans-82.3-12.1179.7-73.7-94.4-82.800113L118 G119 I120 K220 F221 A222L118-M224 WeakPolarHBondContact O-CE 3.47Å; G119-M224 WeakPolarHBondContact O-CB 3.49Å; I120-M224 HydrophobicContact CB-CE 4.38Å; I120-M224 HydrophobicContact CD1-CE 4.26Å; I120-M224 HydrophobicContact CG1-CE 3.29Å; K220-M224 WeakPolarHBondContact O-CB 3.05Å; K220-M224 WeakPolarHBondContact O-CG 3.22Å; K220-M224 PolarHBondContact O-N 3.33Å; F221-M224 PolarHBondContact O-N 3.47Å; A222-M224 VanDerWaalsContact C-N 3.31Å; A222-M224 PolarHBondContact O-N 3.38Å
225Q57Low51.5Low88 Ų88122.4 Ų122.441%0.41163%0.628SS.*SBendtrans-75.3145.1171.9-62.9-55.1-36.600110.5F221 A222 E223 K227F221-Q225 PolarHBondContact O-N 3Å; A222-Q225 PolarHBondContact O-N 3.16Å; E223-Q225 VanDerWaalsContact C-N 3.34Å; Q225-K227 PolarHBondContact O-N 3.44Å; Q225-K227 VanDerWaalsContact O-N 3.12Å
226P47.9Very low49Very low109 Ų109125.4 Ų125.471%0.70864%0.639SS**PPolyproline II helixtrans-58.4119.3177.922.3-30.8000110.5K228P226-K228 PolarHBondContact O-N 3.46Å
227K38.1Very low46.6Very low188 Ų188127 Ų12782%0.81766%0.664SS**PPolyproline II helixtrans-64116.5167.1-73.5-179.8177.9175.60107.8Q225 E229Q225-K227 PolarHBondContact O-N 3.44Å; Q225-K227 VanDerWaalsContact O-N 3.12Å; K227-E229 PolarHBondContact O-N 2.84Å
228K33.1Very low44.4Very low95 Ų95127.8 Ų127.841%0.41368%0.682SS.*PPolyproline II helixtrans-62.6126.1166.5-63.6-175.6-159.4173.90108.4P226 T230 E242 M243P226-K228 PolarHBondContact O-N 3.46Å; K228-T230 PolarHBondContact O-N 2.87Å; K228-E242 WeakPolarHBondContact CB-OE1 3.48Å; K228-E242 HydrophobicContact CD-CB 4.35Å; K228-E242 HydrophobicContact CD-CG 3.71Å; K228-E242 WeakPolarHBondContact CD-OE1 3.17Å; K228-E242 WeakPolarHBondContact CD-OE2 3.36Å; K228-E242 WeakPolarHBondContact CE-OE2 3.23Å; K228-E242 VanDerWaalsContact CG-CD 3.45Å; K228-E242 HydrophobicContact CG-CG 4.43Å; K228-E242 WeakPolarHBondContact CG-OE1 3.44Å; K228-E242 WeakPolarHBondContact CG-OE2 3.22Å; K228-M243 WeakPolarHBondContact CE-O 3.32Å; K228-M243 PolarHBondContact NZ-O 3.47Å
229E27.7Very low42.6Very low191 Ų191131.1 Ų131.189%0.89370%0.698SS**  trans-67.5111.7171.5-72.1-175.315700108.7K227K227-E229 PolarHBondContact O-N 2.84Å
230T24.3Very low40.8Very low125 Ų125132.6 Ų132.677%0.76771%0.707SS**PPolyproline II helixtrans-80.4125.8176.42.30000109.8K228K228-T230 PolarHBondContact O-N 2.87Å
231P31.5Very low39Very low124 Ų124137.3 Ų137.381%0.80573%0.731SS**PPolyproline II helixtrans-66145.4169.2-15.529.3000111.2K233P231-K233 PolarHBondContact O-N 3.25Å
232A28.5Very low37.7Very low106 Ų106140.7 Ų140.788%0.87675%0.747SS**PPolyproline II helixtrans-56.3129.5-169.500000115.9
233K29Very low36.1Very low204 Ų204142.9 Ų142.989%0.88775%0.748SS**  trans4118.9160.1-75.1177.9174.71760119.4P231P231-K233 PolarHBondContact O-N 3.25Å
234K27.5Very low34.4Very low214 Ų214141.5 Ų141.593%0.9375%0.745SS**  -130.5149.2124.7-86.2-174.2178.4177.30109.7
235E28.2Very low33.2Very low178 Ų178143.5 Ų143.583%0.83276%0.758SS**  trans-65.3144.1-155.1-69.7172.4114.900118.5
236K30.3Very low32Very low192 Ų192141.2 Ų141.284%0.83575%0.751SS**  trans55.4106.1149.9-70.6177.6177.3172.50119.5
237A28Very low31.4Very low99 Ų99137.4 Ų137.482%0.81873%0.725SS**  163.3145.792.400000112.4
238A27.3Very low31.4Very low93 Ų93132 Ų13277%0.76972%0.716SS**  trans75.5139.3172.400000118.6
239P31.3Very low31.5Very low134 Ų134133 Ų13387%0.8773%0.73SS**PPolyproline II helixtrans-85.5124.2-179.110.77.8000111.4
240E31.9Very low31.8Very low193 Ų193125.3 Ų125.390%0.90269%0.694SS**PPolyproline II helixtrans-88.8140.4172.2-75176.8153.400111.4
241E32.8Very low32.6Very low188 Ų188123.6 Ų123.688%0.87969%0.693SS**PPolyproline II helixtrans-71.1141.8171.7-64.8172.8148.700110.8
242E36.9Very low33.1Very low120 Ų120121.9 Ų121.956%0.56169%0.689SS**  trans-102105.5-179.8-87.8-170.417800114.5K228K228-E242 WeakPolarHBondContact CB-OE1 3.48Å; K228-E242 HydrophobicContact CD-CB 4.35Å; K228-E242 HydrophobicContact CD-CG 3.71Å; K228-E242 WeakPolarHBondContact CD-OE1 3.17Å; K228-E242 WeakPolarHBondContact CD-OE2 3.36Å; K228-E242 WeakPolarHBondContact CE-OE2 3.23Å; K228-E242 VanDerWaalsContact CG-CD 3.45Å; K228-E242 HydrophobicContact CG-CG 4.43Å; K228-E242 WeakPolarHBondContact CG-OE1 3.44Å; K228-E242 WeakPolarHBondContact CG-OE2 3.22Å
243M32.8Very low33.4Very low110 Ų110123.2 Ų123.254%0.54268%0.677SS.*  trans-38.2144.1161.3-81.6159.159.500118.2K228 D247K228-M243 WeakPolarHBondContact CE-O 3.32Å; K228-M243 PolarHBondContact NZ-O 3.47Å; M243-D247 VanDerWaalsContact C-OD2 3.29Å; M243-D247 WeakPolarHBondContact CA-OD2 3.3Å; M243-D247 HydrophobicContact CB-CB 3.54Å; M243-D247 WeakPolarHBondContact CB-OD2 3.38Å; M243-D247 HydrophobicContact CE-CB 3.39Å; M243-D247 HydrophobicContact CG-CB 3.82Å; M243-D247 WeakPolarHBondContact CG-OD1 3.49Å; M243-D247 WeakPolarHBondContact CG-OD2 3.19Å; M243-D247 HydrophobicContact SD-CB 4.37Å
244D35.3Very low33.7Very low122 Ų122119.4 Ų119.465%0.65267%0.673SS**  trans-90.2169-177.5174.726.8000112.7C246 D247D244-C246 PolarHBondContact O-N 3.48Å; D244-D247 PolarHBondContact N-OD2 2.81Å; D244-D247 WeakPolarHBondContact O-CA 3.19Å; D244-D247 WeakPolarHBondContact O-CB 3.28Å; D244-D247 PolarHBondContact O-N 2.86Å
245D36.8Very low34.1Very low140 Ų140119.5 Ų119.575%0.74967%0.674SS**Hα-helixtrans-54.2-18.8-179.4-105.3-20.1000114.1D247D245-D247 VanDerWaalsContact C-N 3.28Å
246C32.3Very low35Very low41 Ų41115.7 Ų115.728%0.27767%0.672SS.*Hα-helixtrans-67.1-29.2170.8-148.40000112.4D244 V249 L250 W330D244-C246 PolarHBondContact O-N 3.48Å; C246-V249 PolarHBondContact O-N 3.47Å; C246-L250 PolarHBondContact O-N 3.37Å; C246-W330 HydrophobicContact CB-CH2 4.13Å; C246-W330 HydrophobicContact CB-CZ2 4.39Å
247D36.3Very low35.7Very low29 Ų29116 Ų11616%0.15567%0.674CS.*Hα-helixtrans-78.8-23.6-176.4-74.2-62.5000114.7M243 D244 D245 V249 L250 A251M243-D247 VanDerWaalsContact C-OD2 3.29Å; M243-D247 WeakPolarHBondContact CA-OD2 3.3Å; M243-D247 HydrophobicContact CB-CB 3.54Å; M243-D247 WeakPolarHBondContact CB-OD2 3.38Å; M243-D247 HydrophobicContact CE-CB 3.39Å; M243-D247 HydrophobicContact CG-CB 3.82Å; M243-D247 WeakPolarHBondContact CG-OD1 3.49Å; M243-D247 WeakPolarHBondContact CG-OD2 3.19Å; M243-D247 HydrophobicContact SD-CB 4.37Å; D244-D247 PolarHBondContact N-OD2 2.81Å; D244-D247 WeakPolarHBondContact O-CA 3.19Å; D244-D247 WeakPolarHBondContact O-CB 3.28Å; D244-D247 PolarHBondContact O-N 2.86Å; D245-D247 VanDerWaalsContact C-N 3.28Å; D247-V249 VanDerWaalsContact C-N 3.25Å; D247-V249 PolarHBondContact O-N 3.05Å; D247-L250 WeakPolarHBondContact O-CB 3.43Å; D247-L250 PolarHBondContact O-N 2.99Å; D247-L250 VanDerWaalsContact OD1-CD1 3.29Å; D247-L250 WeakPolarHBondContact OD1-CD1 3.29Å; D247-A251 PolarHBondContact O-N 3.17Å
248A36.7Very low36.9Very low75 Ų75115.1 Ų115.162%0.6266%0.655SS**Hα-helixtrans-67.7-30.9172.600000111.4
249V35.9Very low38Very low116 Ų116113.4 Ų113.470%0.70364%0.636SS**Hα-helixtrans-75.6-33174.4-173.90000110.7C246 D247 A251C246-V249 PolarHBondContact O-N 3.47Å; D247-V249 VanDerWaalsContact C-N 3.25Å; D247-V249 PolarHBondContact O-N 3.05Å; V249-A251 PolarHBondContact O-N 2.94Å
250L33.6Very low38.9Very low28 Ų28107.5 Ų107.515%0.14760%0.597CS.*Hα-helixtrans-69.2-27178.6-77.6-179.2000116.2C246 D247 A252 W330C246-L250 PolarHBondContact O-N 3.37Å; D247-L250 WeakPolarHBondContact O-CB 3.43Å; D247-L250 PolarHBondContact O-N 2.99Å; D247-L250 VanDerWaalsContact OD1-CD1 3.29Å; D247-L250 WeakPolarHBondContact OD1-CD1 3.29Å; L250-A252 PolarHBondContact O-N 3.24Å; L250-W330 HydrophobicContact CD1-CH2 2.92Å; L250-W330 HydrophobicContact CD1-CZ2 3.26Å; L250-W330 HydrophobicContact CD1-CZ3 3.68Å; L250-W330 HydrophobicContact CD2-CE3 4.47Å; L250-W330 HydrophobicContact CD2-CH2 3.57Å; L250-W330 HydrophobicContact CD2-CZ3 3.42Å; L250-W330 VanDerWaalsContact CD2-CZ3 3.42Å; L250-W330 HydrophobicContact CG-CH2 3.24Å; L250-W330 HydrophobicContact CG-CZ2 4.11Å; L250-W330 HydrophobicContact CG-CZ3 3.7Å
251A41.6Very low40.1Very low90 Ų90102.4 Ų102.474%0.74459%0.588SS**THydrogen-bonded Turntrans-71.1-9.3-176.200000113D247 V249D247-A251 PolarHBondContact O-N 3.17Å; V249-A251 PolarHBondContact O-N 2.94Å
252A42.3Very low41.2Very low87 Ų87100 Ų10072%0.71958%0.576SS**THydrogen-bonded Turntrans-90.6-7.9-176.600000114.7L250L250-A252 PolarHBondContact O-N 3.24Å
253E35.2Very low42.1Very low134 Ų13496.5 Ų96.563%0.62656%0.561SS**SBendtrans-104.3139.1-177.2-70.3-169.2155.900114.1
254P35Very low43.3Very low125 Ų12596 Ų9681%0.81257%0.566SS**  trans-68.5132-173.926-32.7000112.8A256P254-A256 PolarHBondContact O-N 3.14Å
255K36.4Very low44.5Very low216 Ų216100.1 Ų100.194%0.93958%0.578SS**  trans-62111.5178.8-68.5-179.1176.7-1790112
256A45.8Very low45.9Very low97 Ų9794.9 Ų94.980%0.80255%0.553SS**  trans-79.7153.5165.200000111.5P254P254-A256 PolarHBondContact O-N 3.14Å
257K46.1Very low47.8Very low200 Ų20097.4 Ų97.487%0.8758%0.576SS**  trans-71.3138.3177.6-73.8179.3177.4177.50111P259K257-P259 WeakPolarHBondContact O-CD 3.3Å
258D52.8Low49.6Very low79 Ų7996.3 Ų96.342%0.42257%0.57SS.*  trans-58.1115.1177.5176.88.4000111.9F260 L335D258-F260 PolarHBondContact O-N 3.12Å; D258-F260 PolarHBondContact OD1-N 2.95Å; D258-L335 HydrophobicContact CB-CD2 4.47Å
259P49.6Very low51.5Low57 Ų5796.6 Ų96.637%0.3756%0.564SS.*THydrogen-bonded Turntrans-66.9-14.3179.3-16.730.4000114.1K257 H262 L335K257-P259 WeakPolarHBondContact O-CD 3.3Å; P259-H262 PolarHBondContact O-CE1 3.36Å; P259-H262 PolarHBondContact O-ND1 3.43Å; P259-H262 VanDerWaalsContact O-ND1 3.11Å; P259-L335 HydrophobicContact CG-CD1 3.98Å; P259-L335 HydrophobicContact CG-CD2 4.37Å
260F50.6Low53.1Low11 Ų1191.3 Ų91.35%0.04853%0.532CS..THydrogen-bonded Turntrans-114.83.3-164.6-58.6-67.3000115.4D258 H262 L263 L335 R336 L362 L369 W373D258-F260 PolarHBondContact O-N 3.12Å; D258-F260 PolarHBondContact OD1-N 2.95Å; F260-H262 PolarHBondContact O-N 3.42Å; F260-L263 HydrophobicContact CB-CD1 4.48Å; F260-L263 PolarHBondContact O-N 3.1Å; F260-L335 HydrophobicContact CD2-CB 4.01Å; F260-L335 HydrophobicContact CD2-CD1 4.24Å; F260-L335 HydrophobicContact CE2-CB 4.07Å; F260-L335 HydrophobicContact CE2-CD1 3.75Å; F260-L335 HydrophobicContact CE2-CG 4.48Å; F260-R336 VanDerWaalsContact CB-NH2 3.31Å; F260-L362 HydrophobicContact CD1-CD1 4.49Å; F260-L362 HydrophobicContact CE1-CD1 4.28Å; F260-L369 HydrophobicContact CE1-CB 3.85Å; F260-L369 HydrophobicContact CE1-CD1 3.93Å; F260-L369 HydrophobicContact CE1-CG 4.42Å; F260-L369 HydrophobicContact CZ-CB 4.12Å; F260-W373 HydrophobicContact CE1-CH2 4.45Å; F260-W373 HydrophobicContact CE1-CZ2 4.46Å; F260-W373 HydrophobicContact CE2-CH2 4.47Å; F260-W373 AromaticContact CE2-CZ2 3.76Å; F260-W373 HydrophobicContact CE2-CZ2 3.76Å; F260-W373 AromaticContact CZ-CH2 3.85Å; F260-W373 HydrophobicContact CZ-CH2 3.85Å; F260-W373 AromaticContact CZ-CZ2 3.48Å; F260-W373 HydrophobicContact CZ-CZ2 3.48Å; F260-W373 VanDerWaalsContact CZ-CZ2 3.48Å
261A56.4Low54.6Low85 Ų8594.2 Ų94.270%0.70255%0.547SS*.THydrogen-bonded Turntrans-58.1-9.6179.700000115.2
262H56.7Low56.3Low139 Ų13993.8 Ų93.864%0.64453%0.53SS*.THydrogen-bonded Turntrans-90.9-4.8-178.565.3-85000114.4P259 F260P259-H262 PolarHBondContact O-CE1 3.36Å; P259-H262 PolarHBondContact O-ND1 3.43Å; P259-H262 VanDerWaalsContact O-ND1 3.11Å; F260-H262 PolarHBondContact O-N 3.42Å
263L56Low57.9Low45 Ų4589.7 Ų89.724%0.23650%0.496CS..SBendtrans-80.4156.4-178.9-66177.4000112.3F260 Y361 L362F260-L263 HydrophobicContact CB-CD1 4.48Å; F260-L263 PolarHBondContact O-N 3.1Å; L263-Y361 HydrophobicContact CB-CE1 4.06Å; L263-Y361 HydrophobicContact CD1-CD1 4.41Å; L263-Y361 HydrophobicContact CD1-CE1 4.46Å; L263-L362 HydrophobicContact CD1-CD1 4.19Å; L263-L362 HydrophobicContact CD1-CD2 3.84Å; L263-L362 HydrophobicContact CD1-CG 3.77Å; L263-L362 HydrophobicContact CD2-CD2 4.09Å
264P58Low59.6Low101 Ų10184.2 Ų84.266%0.65647%0.47SS*.PPolyproline II helixtrans-56.5170.4174.4-19.530.9000111.4Y361P264-Y361 WeakPolarHBondContact O-CE1 3.44Å; P264-Y361 VanDerWaalsContact O-CZ 3.24Å; P264-Y361 PolarHBondContact O-OH 2.95Å
265K60.5Low61.4Low208 Ų20886.1 Ų86.190%0.90446%0.461SS*.PPolyproline II helixtrans-101135.6167.1-72.3-177178.1-178.40109.4
266S67.1Low63.3Low30 Ų3077.6 Ų77.621%0.2142%0.424CS..PPolyproline II helixtrans-91151.9175.2162.50000112.3F268 D295 Y299 Y361S266-F268 VanDerWaalsContact C-N 3.27Å; S266-F268 PolarHBondContact OG-N 3.46Å; S266-D295 WeakPolarHBondContact CA-OD2 3.42Å; S266-D295 WeakPolarHBondContact CB-OD2 3.26Å; S266-D295 VanDerWaalsContact OG-CB 3.25Å; S266-D295 WeakPolarHBondContact OG-CB 3.46Å; S266-D295 VanDerWaalsContact OG-CG 3.28Å; S266-D295 PolarHBondContact OG-OD2 2.99Å; S266-Y299 WeakPolarHBondContact OG-CE2 3.24Å; S266-Y361 PolarHBondContact N-OH 3.48Å
267A70.7Confident64.6Low93 Ų9373.9 Ų73.977%0.76939%0.389SS*.SBendtrans-74.7-15.417300000113.1V269 D295A267-V269 PolarHBondContact O-N 2.89Å; A267-D295 PolarHBondContact N-OD2 2.78Å
268F74.3Confident65.9Low7 Ų767.1 Ų67.13%0.03137%0.367CS..  trans-81.8108.7179.3-176.9-128.1000111.3S266 M270 F273 F290 N293 F294 D295 Y299S266-F268 VanDerWaalsContact C-N 3.27Å; S266-F268 PolarHBondContact OG-N 3.46Å; F268-M270 HydrophobicContact CD1-CE 4.12Å; F268-M270 HydrophobicContact CE1-CE 3.57Å; F268-M270 HydrophobicContact CE1-SD 3.96Å; F268-M270 HydrophobicContact CZ-SD 4.47Å; F268-M270 PolarHBondContact O-N 2.87Å; F268-F273 HydrophobicContact CE2-CB 4Å; F268-F273 HydrophobicContact CE2-CG 4.38Å; F268-F273 HydrophobicContact CZ-CB 3.78Å; F268-F273 AromaticContact CZ-CD1 3.86Å; F268-F273 HydrophobicContact CZ-CD1 3.86Å; F268-F273 AromaticContact CZ-CG 3.86Å; F268-F273 HydrophobicContact CZ-CG 3.86Å; F268-F290 HydrophobicContact CE1-CD2 4.47Å; F268-F290 HydrophobicContact CE1-CE2 4.28Å; F268-F290 AromaticContact CZ-CD2 3.84Å; F268-F290 HydrophobicContact CZ-CD2 3.84Å; F268-F290 HydrophobicContact CZ-CE2 4.1Å; F268-N293 WeakPolarHBondContact CB-O 3.29Å; F268-N293 VanDerWaalsContact CD2-C 3.49Å; F268-N293 HydrophobicContact CD2-CB 3.78Å; F268-N293 WeakPolarHBondContact CD2-O 3.39Å; F268-N293 HydrophobicContact CE2-CB 3.95Å; F268-N293 WeakPolarHBondContact CG-O 3.21Å; F268-F294 HydrophobicContact CE1-CD2 4.43Å; F268-D295 HydrophobicContact CB-CB 3.7Å; F268-Y299 HydrophobicContact CB-CD2 4.05Å; F268-Y299 HydrophobicContact CB-CE2 3.83Å; F268-Y299 AromaticContact CD1-CD2 3.74Å; F268-Y299 HydrophobicContact CD1-CD2 3.74Å; F268-Y299 AromaticContact CD1-CE2 3.65Å; F268-Y299 HydrophobicContact CD1-CE2 3.65Å; F268-Y299 HydrophobicContact CD1-CG 4.21Å; F268-Y299 HydrophobicContact CG-CD2 4.39Å; F268-Y299 HydrophobicContact CG-CE2 4.22Å
269V76.4Confident66.9Low81 Ų8169.1 Ų69.149%0.49138%0.378SS..  trans-85.195.6179.7-173.60000109.7A267 D271 E272 F273A267-V269 PolarHBondContact O-N 2.89Å; V269-D271 VanDerWaalsContact C-N 3.29Å; V269-D271 PolarHBondContact O-N 3.48Å; V269-E272 HydrophobicContact CB-CB 4.17Å; V269-E272 HydrophobicContact CG1-CB 4.02Å; V269-E272 PolarHBondContact O-N 2.88Å; V269-F273 PolarHBondContact O-N 2.99Å
270M69.1Low68.5Low5 Ų570.9 Ų70.93%0.02538%0.381CS..Hα-helixtrans-59.4-37-176.6-172.666.370.200113F268 E272 F273 K274 Y299 P359F268-M270 HydrophobicContact CD1-CE 4.12Å; F268-M270 HydrophobicContact CE1-CE 3.57Å; F268-M270 HydrophobicContact CE1-SD 3.96Å; F268-M270 HydrophobicContact CZ-SD 4.47Å; F268-M270 PolarHBondContact O-N 2.87Å; M270-E272 VanDerWaalsContact C-N 3.32Å; M270-E272 PolarHBondContact O-N 3.06Å; M270-F273 PolarHBondContact O-N 3.42Å; M270-F273 HydrophobicContact SD-CD1 3.9Å; M270-K274 HydrophobicContact CG-CD 3.95Å; M270-K274 HydrophobicContact CG-CG 4.22Å; M270-K274 WeakPolarHBondContact O-CB 3.48Å; M270-K274 VanDerWaalsContact O-CG 3.28Å; M270-K274 WeakPolarHBondContact O-CG 3.43Å; M270-K274 PolarHBondContact O-N 3.4Å; M270-Y299 HydrophobicContact CE-CD1 3.9Å; M270-Y299 HydrophobicContact CE-CE1 3.42Å; M270-Y299 VanDerWaalsContact CE-CE1 3.42Å; M270-P359 HydrophobicContact CE-CB 4.09Å; M270-P359 HydrophobicContact CE-CG 3.82Å
271D66.1Low70Confident89 Ų8974.5 Ų74.548%0.47640%0.401SS..Hα-helixtrans-65.3-35.5179.6-62.9-25.9000112.4V269 R275V269-D271 VanDerWaalsContact C-N 3.29Å; V269-D271 PolarHBondContact O-N 3.48Å; D271-R275 WeakPolarHBondContact O-CB 3.43Å; D271-R275 PolarHBondContact O-N 3.38Å
272E76.7Confident71.2Confident81 Ų8171.8 Ų71.838%0.37938%0.376SS..Hα-helixtrans-65.5-46173.6-174-176159.600110.4V269 M270 R275 K276 H289V269-E272 HydrophobicContact CB-CB 4.17Å; V269-E272 HydrophobicContact CG1-CB 4.02Å; V269-E272 PolarHBondContact O-N 2.88Å; M270-E272 VanDerWaalsContact C-N 3.32Å; M270-E272 PolarHBondContact O-N 3.06Å; E272-R275 WeakPolarHBondContact O-CB 3.43Å; E272-R275 PolarHBondContact O-N 3.47Å; E272-K276 PolarHBondContact O-N 2.8Å; E272-K276 VanDerWaalsContact OE1-CE 3.28Å; E272-K276 WeakPolarHBondContact OE1-CE 3.42Å; E272-K276 IonicContact OE1-NZ 2.65Å; E272-K276 PolarHBondContact OE1-NZ 2.86Å; E272-H289 IonicContact OE1-CE1 3.33Å; E272-H289 IonicContact OE1-NE2 2.79Å
273F77.2Confident72.3Confident0 Ų069 Ų690%036%0.364CS..Hα-helixtrans-61.6-46.5177.4172-121.8000111.8F268 V269 M270 R275 K276 Y277 A286 F290 L340 F400F268-F273 HydrophobicContact CE2-CB 4Å; F268-F273 HydrophobicContact CE2-CG 4.38Å; F268-F273 HydrophobicContact CZ-CB 3.78Å; F268-F273 AromaticContact CZ-CD1 3.86Å; F268-F273 HydrophobicContact CZ-CD1 3.86Å; F268-F273 AromaticContact CZ-CG 3.86Å; F268-F273 HydrophobicContact CZ-CG 3.86Å; V269-F273 PolarHBondContact O-N 2.99Å; M270-F273 PolarHBondContact O-N 3.42Å; M270-F273 HydrophobicContact SD-CD1 3.9Å; F273-R275 VanDerWaalsContact C-N 3.26Å; F273-R275 PolarHBondContact O-N 3.41Å; F273-K276 PolarHBondContact O-N 2.99Å; F273-Y277 HydrophobicContact CZ-CD2 4.29Å; F273-Y277 HydrophobicContact CZ-CG 4.48Å; F273-Y277 VanDerWaalsContact O-CB 3.24Å; F273-Y277 WeakPolarHBondContact O-CB 3.3Å; F273-Y277 PolarHBondContact O-N 2.91Å; F273-A286 HydrophobicContact CE2-CB 4.42Å; F273-A286 WeakPolarHBondContact CE2-O 3.35Å; F273-F290 AromaticContact CD1-CD2 3.92Å; F273-F290 HydrophobicContact CD1-CD2 3.92Å; F273-F290 HydrophobicContact CD2-CB 4.09Å; F273-F290 HydrophobicContact CD2-CD2 4.36Å; F273-F290 AromaticContact CE1-CD2 3.46Å; F273-F290 HydrophobicContact CE1-CD2 3.46Å; F273-F290 VanDerWaalsContact CE1-CD2 3.46Å; F273-F290 HydrophobicContact CE1-CE2 4.06Å; F273-F290 HydrophobicContact CE1-CG 4.33Å; F273-F290 HydrophobicContact CE2-CB 3.53Å; F273-F290 AromaticContact CE2-CD2 4Å; F273-F290 HydrophobicContact CE2-CD2 4Å; F273-F290 HydrophobicContact CE2-CG 4.18Å; F273-F290 HydrophobicContact CG-CD2 4.34Å; F273-F290 HydrophobicContact CZ-CB 3.78Å; F273-F290 AromaticContact CZ-CD2 3.52Å; F273-F290 HydrophobicContact CZ-CD2 3.52Å; F273-F290 HydrophobicContact CZ-CE2 4.43Å; F273-F290 AromaticContact CZ-CG 3.93Å; F273-F290 HydrophobicContact CZ-CG 3.93Å; F273-L340 HydrophobicContact CE1-CB 4.48Å; F273-L340 HydrophobicContact CE1-CD2 3.53Å; F273-L340 HydrophobicContact CZ-CD2 3.93Å; F273-F400 AromaticContact CE1-CE2 3.97Å; F273-F400 HydrophobicContact CE1-CE2 3.97Å; F273-F400 HydrophobicContact CZ-CD2 4.06Å; F273-F400 AromaticContact CZ-CE2 3.7Å; F273-F400 HydrophobicContact CZ-CE2 3.7Å
274K69.2Low73.6Confident20 Ų2071.8 Ų71.89%0.08738%0.383CS..Hα-helixtrans-57.2-39.9175.3-74167.2171.7-168.90111.9M270 S278 L337 T339 L340 K420M270-K274 HydrophobicContact CG-CD 3.95Å; M270-K274 HydrophobicContact CG-CG 4.22Å; M270-K274 WeakPolarHBondContact O-CB 3.48Å; M270-K274 VanDerWaalsContact O-CG 3.28Å; M270-K274 WeakPolarHBondContact O-CG 3.43Å; M270-K274 PolarHBondContact O-N 3.4Å; K274-S278 WeakPolarHBondContact O-CB 3.24Å; K274-S278 PolarHBondContact O-N 2.87Å; K274-S278 PolarHBondContact O-OG 3.19Å; K274-L337 PolarHBondContact NZ-O 3.24Å; K274-T339 WeakPolarHBondContact CE-O 3.38Å; K274-T339 PolarHBondContact NZ-O 2.88Å; K274-L340 HydrophobicContact CG-CD1 4.37Å; K274-K420 WeakPolarHBondContact CD-OXT 3.28Å; K274-K420 WeakPolarHBondContact CE-OXT 3.38Å; K274-K420 PolarHBondContact NZ-OXT 2.99Å
275R74.3Confident74.8Confident164 Ų16469.3 Ų69.362%0.61937%0.366SS*.Hα-helixtrans-64.5-48.3176.2-165.7-178.289.3174.35111.6D271 E272 F273 S278 N279D271-R275 WeakPolarHBondContact O-CB 3.43Å; D271-R275 PolarHBondContact O-N 3.38Å; E272-R275 WeakPolarHBondContact O-CB 3.43Å; E272-R275 PolarHBondContact O-N 3.47Å; F273-R275 VanDerWaalsContact C-N 3.26Å; F273-R275 PolarHBondContact O-N 3.41Å; R275-S278 PolarHBondContact O-N 3.47Å; R275-N279 WeakPolarHBondContact CG-ND2 3.42Å; R275-N279 WeakPolarHBondContact O-CB 3.27Å; R275-N279 VanDerWaalsContact O-CG 3.31Å; R275-N279 PolarHBondContact O-N 3.45Å; R275-N279 VanDerWaalsContact O-N 3.07Å; R275-N279 PolarHBondContact O-ND2 2.98Å
276K75.4Confident75.7Confident38 Ų3859.4 Ų59.417%0.16532%0.323CS..Hα-helixtrans-63.6-44.4177.1-69.2-165.9-170.6161.10111.7E272 F273 S278 N279 E280 H289E272-K276 PolarHBondContact O-N 2.8Å; E272-K276 VanDerWaalsContact OE1-CE 3.28Å; E272-K276 WeakPolarHBondContact OE1-CE 3.42Å; E272-K276 IonicContact OE1-NZ 2.65Å; E272-K276 PolarHBondContact OE1-NZ 2.86Å; F273-K276 PolarHBondContact O-N 2.99Å; K276-S278 PolarHBondContact O-N 3.2Å; K276-N279 PolarHBondContact O-N 3.18Å; K276-E280 WeakPolarHBondContact O-CB 3.2Å; K276-E280 PolarHBondContact O-N 2.8Å; K276-H289 HydrophobicContact CD-CB 4.38Å; K276-H289 PolarHBondContact NZ-CE1 2.74Å; K276-H289 PolarHBondContact NZ-ND1 2.97Å; K276-H289 VanDerWaalsContact NZ-ND1 3.13Å; K276-H289 PolarHBondContact NZ-NE2 2.91Å
277Y73.1Confident76.5Confident19 Ų1958.5 Ų58.58%0.07532%0.316CS..Hα-helixtrans-61.7-28.1176.6-177.2-92.2000113.3F273 T282 A286 L340 F400 I418 K420F273-Y277 HydrophobicContact CZ-CD2 4.29Å; F273-Y277 HydrophobicContact CZ-CG 4.48Å; F273-Y277 VanDerWaalsContact O-CB 3.24Å; F273-Y277 WeakPolarHBondContact O-CB 3.3Å; F273-Y277 PolarHBondContact O-N 2.91Å; Y277-T282 HydrophobicContact CD2-CG2 4.33Å; Y277-T282 HydrophobicContact CE2-CG2 3.64Å; Y277-A286 HydrophobicContact CD2-CB 3.85Å; Y277-A286 HydrophobicContact CG-CB 4.44Å; Y277-L340 HydrophobicContact CD1-CD1 4.16Å; Y277-L340 HydrophobicContact CD1-CD2 4.15Å; Y277-L340 HydrophobicContact CD2-CD2 4.42Å; Y277-L340 HydrophobicContact CE1-CD2 4.48Å; Y277-L340 HydrophobicContact CG-CD2 4.19Å; Y277-F400 HydrophobicContact CE2-CB 3.92Å; Y277-F400 HydrophobicContact CE2-CG 4.37Å; Y277-F400 PolarHBondContact OH-O 2.92Å; Y277-I418 HydrophobicContact CE1-CD1 3.59Å; Y277-I418 HydrophobicContact CE1-CG2 4.13Å; Y277-I418 VanDerWaalsContact CZ-CD1 3.49Å; Y277-I418 WeakPolarHBondContact OH-CD1 3.38Å; Y277-K420 HydrophobicContact CD1-CD 4.25Å; Y277-K420 VanDerWaalsContact CD1-NZ 3.31Å; Y277-K420 VanDerWaalsContact CE1-CE 3.46Å
278S73.3Confident77.3Confident58 Ų5856.5 Ų56.541%0.40630%0.295SS..Hα-helixtrans-85.3-31.1177.8-55.80000114.4K274 R275 K276 K420K274-S278 WeakPolarHBondContact O-CB 3.24Å; K274-S278 PolarHBondContact O-N 2.87Å; K274-S278 PolarHBondContact O-OG 3.19Å; R275-S278 PolarHBondContact O-N 3.47Å; K276-S278 PolarHBondContact O-N 3.2Å; S278-K420 VanDerWaalsContact CA-NZ 3.26Å; S278-K420 WeakPolarHBondContact OG-CD 3.39Å; S278-K420 WeakPolarHBondContact OG-CE 3.39Å; S278-K420 PolarHBondContact OG-NZ 3.03Å
279N73.3Confident77.8Confident121 Ų12157 Ų5765%0.64730%0.297SS*.Hα-helixtrans-109.4-13.9-166.6-63.7-26.5000113.3R275 K276R275-N279 WeakPolarHBondContact CG-ND2 3.42Å; R275-N279 WeakPolarHBondContact O-CB 3.27Å; R275-N279 VanDerWaalsContact O-CG 3.31Å; R275-N279 PolarHBondContact O-N 3.45Å; R275-N279 VanDerWaalsContact O-N 3.07Å; R275-N279 PolarHBondContact O-ND2 2.98Å; K276-N279 PolarHBondContact O-N 3.18Å
280E84.4Confident78.2Confident93 Ų9353.2 Ų53.244%0.43527%0.274SS..SBendtrans-127.8167.8-172.4-54.2-172.1-123.700111.3K276 T282 V285K276-E280 WeakPolarHBondContact O-CB 3.2Å; K276-E280 PolarHBondContact O-N 2.8Å; E280-T282 PolarHBondContact O-N 3.27Å; E280-V285 HydrophobicContact CB-CB 4.12Å; E280-V285 HydrophobicContact CB-CG1 4.05Å; E280-V285 WeakPolarHBondContact OE2-CG1 3.29Å
281D82.7Confident79.1Confident88 Ų8856.6 Ų56.647%0.47129%0.287SS..  trans-65125.8-178-179.5-96.8000111.5M283 T284 V285 A286D281-M283 VanDerWaalsContact C-N 3.33Å; D281-M283 PolarHBondContact O-N 2.91Å; D281-M283 PolarHBondContact OD1-N 2.94Å; D281-M283 VanDerWaalsContact OD1-N 3.13Å; D281-T284 WeakPolarHBondContact CB-OG1 3.29Å; D281-T284 VanDerWaalsContact CG-OG1 3.28Å; D281-T284 WeakPolarHBondContact OD1-CB 3.49Å; D281-T284 PolarHBondContact OD1-N 3.46Å; D281-T284 PolarHBondContact OD1-OG1 2.81Å; D281-V285 WeakPolarHBondContact O-CA 3.33Å; D281-V285 WeakPolarHBondContact O-CB 3.48Å; D281-V285 PolarHBondContact O-N 2.78Å; D281-A286 PolarHBondContact O-N 2.89Å
282T80.4Confident80.1Confident28 Ų2859.6 Ų59.617%0.17230%0.298CS..Iπ-helixtrans-60.4-41.8-175-61.70000112.7Y277 E280 L287 F400 A401Y277-T282 HydrophobicContact CD2-CG2 4.33Å; Y277-T282 HydrophobicContact CE2-CG2 3.64Å; E280-T282 PolarHBondContact O-N 3.27Å; T282-L287 HydrophobicContact CG2-CD1 4.07Å; T282-L287 HydrophobicContact CG2-CG 4.13Å; T282-L287 VanDerWaalsContact O-CB 3.27Å; T282-L287 WeakPolarHBondContact O-CB 3.14Å; T282-L287 WeakPolarHBondContact O-CG 2.96Å; T282-L287 PolarHBondContact O-N 2.69Å; T282-F400 HydrophobicContact CG2-CB 4.38Å; T282-F400 WeakPolarHBondContact CG2-O 3.45Å; T282-A401 HydrophobicContact CG2-CB 4.4Å
283M79.6Confident80.5Confident81 Ų8159.1 Ų59.140%0.39930%0.298SS..Iπ-helixtrans-83-39.7-168.3-71.5-69.4-70.200112.6D281 L287 K397 A401D281-M283 VanDerWaalsContact C-N 3.33Å; D281-M283 PolarHBondContact O-N 2.91Å; D281-M283 PolarHBondContact OD1-N 2.94Å; D281-M283 VanDerWaalsContact OD1-N 3.13Å; M283-L287 HydrophobicContact SD-CD1 3.89Å; M283-K397 HydrophobicContact CE-CD 4.47Å; M283-K397 HydrophobicContact CE-CG 4.47Å; M283-K397 HydrophobicContact SD-CG 4.22Å; M283-A401 HydrophobicContact CG-CB 4.36Å; M283-A401 HydrophobicContact SD-CB 3.64Å
284T83.8Confident80.8Confident103 Ų10359.9 Ų59.963%0.63230%0.301SS*.Iπ-helixtrans-96.6-18.4-174.558.90000113.3D281D281-T284 WeakPolarHBondContact CB-OG1 3.29Å; D281-T284 VanDerWaalsContact CG-OG1 3.28Å; D281-T284 WeakPolarHBondContact OD1-CB 3.49Å; D281-T284 PolarHBondContact OD1-N 3.46Å; D281-T284 PolarHBondContact OD1-OG1 2.81Å
285V82.7Confident81.3Confident49 Ų4960.6 Ų60.630%0.29731%0.306SS..Iπ-helixtrans-126.8-58.1-176.5-172.90000113.2E280 D281 P288 H289E280-V285 HydrophobicContact CB-CB 4.12Å; E280-V285 HydrophobicContact CB-CG1 4.05Å; E280-V285 WeakPolarHBondContact OE2-CG1 3.29Å; D281-V285 WeakPolarHBondContact O-CA 3.33Å; D281-V285 WeakPolarHBondContact O-CB 3.48Å; D281-V285 PolarHBondContact O-N 2.78Å; V285-P288 WeakPolarHBondContact O-CD 3.49Å; V285-H289 VanDerWaalsContact O-CB 3.27Å; V285-H289 WeakPolarHBondContact O-CB 3.11Å; V285-H289 PolarHBondContact O-N 3.49Å
286A80.1Confident81.3Confident0 Ų059.2 Ų59.20%030%0.301CS..Iπ-helixtrans-68.9-44-170.300000113F273 Y277 D281 H289 F290F273-A286 HydrophobicContact CE2-CB 4.42Å; F273-A286 WeakPolarHBondContact CE2-O 3.35Å; Y277-A286 HydrophobicContact CD2-CB 3.85Å; Y277-A286 HydrophobicContact CG-CB 4.44Å; D281-A286 PolarHBondContact O-N 2.89Å; A286-H289 PolarHBondContact O-N 2.61Å; A286-F290 WeakPolarHBondContact O-CB 3.46Å; A286-F290 PolarHBondContact O-N 3.4Å
287L83.1Confident81Confident11 Ų1164.7 Ų64.76%0.05833%0.327CS..Hα-helixtrans-65.8-46.2178-82.3170.6000113.2T282 M283 H289 F290 W291 V396 K397 F400T282-L287 HydrophobicContact CG2-CD1 4.07Å; T282-L287 HydrophobicContact CG2-CG 4.13Å; T282-L287 VanDerWaalsContact O-CB 3.27Å; T282-L287 WeakPolarHBondContact O-CB 3.14Å; T282-L287 WeakPolarHBondContact O-CG 2.96Å; T282-L287 PolarHBondContact O-N 2.69Å; M283-L287 HydrophobicContact SD-CD1 3.89Å; L287-H289 VanDerWaalsContact C-N 3.31Å; L287-H289 PolarHBondContact O-N 3.11Å; L287-F290 WeakPolarHBondContact O-CB 3.49Å; L287-F290 PolarHBondContact O-N 3Å; L287-W291 PolarHBondContact O-N 3.46Å; L287-W291 VanDerWaalsContact O-N 3.17Å; L287-V396 HydrophobicContact CD2-CG1 3.88Å; L287-K397 HydrophobicContact CD1-CB 4.27Å; L287-K397 HydrophobicContact CD1-CG 4Å; L287-F400 HydrophobicContact CD2-CB 4.01Å; L287-F400 HydrophobicContact CD2-CD2 3.82Å; L287-F400 HydrophobicContact CD2-CG 4.34Å
288P88.6Confident80.7Confident50 Ų5064 Ų6433%0.32533%0.326SS..Hα-helixtrans-55.3-47.1170.4-2936.6000112.3V285 F290 W291 E292V285-P288 WeakPolarHBondContact O-CD 3.49Å; P288-F290 VanDerWaalsContact C-N 3.33Å; P288-F290 PolarHBondContact O-N 2.96Å; P288-W291 PolarHBondContact O-N 3.43Å; P288-E292 WeakPolarHBondContact O-CB 3.08Å; P288-E292 VanDerWaalsContact O-CG 3.32Å; P288-E292 WeakPolarHBondContact O-CG 3.47Å; P288-E292 PolarHBondContact O-N 2.69Å
289H84.6Confident80.5Confident18 Ų1861.9 Ų61.98%0.08331%0.309CS..Hα-helixtrans-61.8-39.6178.8-177.766.3000112.7E272 K276 V285 A286 L287 N293E272-H289 IonicContact OE1-CE1 3.33Å; E272-H289 IonicContact OE1-NE2 2.79Å; K276-H289 HydrophobicContact CD-CB 4.38Å; K276-H289 PolarHBondContact NZ-CE1 2.74Å; K276-H289 PolarHBondContact NZ-ND1 2.97Å; K276-H289 VanDerWaalsContact NZ-ND1 3.13Å; K276-H289 PolarHBondContact NZ-NE2 2.91Å; V285-H289 VanDerWaalsContact O-CB 3.27Å; V285-H289 WeakPolarHBondContact O-CB 3.11Å; V285-H289 PolarHBondContact O-N 3.49Å; A286-H289 PolarHBondContact O-N 2.61Å; L287-H289 VanDerWaalsContact C-N 3.31Å; L287-H289 PolarHBondContact O-N 3.11Å; H289-N293 PolarHBondContact CE1-ND2 2.95Å; H289-N293 PolarHBondContact ND1-ND2 3.26Å; H289-N293 WeakPolarHBondContact O-CB 3.35Å; H289-N293 PolarHBondContact O-N 2.89Å; H289-N293 VanDerWaalsContact O-N 3.16Å; H289-N293 PolarHBondContact O-ND2 2.89Å
290F85.1Confident80.2Confident1 Ų156.3 Ų56.30%0.00428%0.279CS..Hα-helixtrans-54.4-55.7173.5177.5-105.3000110.7F268 F273 A286 L287 P288 E292 N293 F294 I301 V396 F400F268-F290 HydrophobicContact CE1-CD2 4.47Å; F268-F290 HydrophobicContact CE1-CE2 4.28Å; F268-F290 AromaticContact CZ-CD2 3.84Å; F268-F290 HydrophobicContact CZ-CD2 3.84Å; F268-F290 HydrophobicContact CZ-CE2 4.1Å; F273-F290 AromaticContact CD1-CD2 3.92Å; F273-F290 HydrophobicContact CD1-CD2 3.92Å; F273-F290 HydrophobicContact CD2-CB 4.09Å; F273-F290 HydrophobicContact CD2-CD2 4.36Å; F273-F290 AromaticContact CE1-CD2 3.46Å; F273-F290 HydrophobicContact CE1-CD2 3.46Å; F273-F290 VanDerWaalsContact CE1-CD2 3.46Å; F273-F290 HydrophobicContact CE1-CE2 4.06Å; F273-F290 HydrophobicContact CE1-CG 4.33Å; F273-F290 HydrophobicContact CE2-CB 3.53Å; F273-F290 AromaticContact CE2-CD2 4Å; F273-F290 HydrophobicContact CE2-CD2 4Å; F273-F290 HydrophobicContact CE2-CG 4.18Å; F273-F290 HydrophobicContact CG-CD2 4.34Å; F273-F290 HydrophobicContact CZ-CB 3.78Å; F273-F290 AromaticContact CZ-CD2 3.52Å; F273-F290 HydrophobicContact CZ-CD2 3.52Å; F273-F290 HydrophobicContact CZ-CE2 4.43Å; F273-F290 AromaticContact CZ-CG 3.93Å; F273-F290 HydrophobicContact CZ-CG 3.93Å; A286-F290 WeakPolarHBondContact O-CB 3.46Å; A286-F290 PolarHBondContact O-N 3.4Å; L287-F290 WeakPolarHBondContact O-CB 3.49Å; L287-F290 PolarHBondContact O-N 3Å; P288-F290 VanDerWaalsContact C-N 3.33Å; P288-F290 PolarHBondContact O-N 2.96Å; F290-E292 PolarHBondContact O-N 3.34Å; F290-N293 PolarHBondContact O-N 3.39Å; F290-F294 HydrophobicContact CE1-CD2 4.13Å; F290-F294 HydrophobicContact CE1-CG 4.49Å; F290-F294 AromaticContact CE2-CD2 3.73Å; F290-F294 HydrophobicContact CE2-CD2 3.73Å; F290-F294 HydrophobicContact CE2-CE2 4.26Å; F290-F294 AromaticContact CZ-CD2 3.47Å; F290-F294 HydrophobicContact CZ-CD2 3.47Å; F290-F294 VanDerWaalsContact CZ-CD2 3.47Å; F290-F294 AromaticContact CZ-CE2 3.82Å; F290-F294 HydrophobicContact CZ-CE2 3.82Å; F290-F294 HydrophobicContact CZ-CG 4.25Å; F290-F294 WeakPolarHBondContact O-CA 3.22Å; F290-F294 WeakPolarHBondContact O-CB 3.47Å; F290-F294 PolarHBondContact O-N 2.92Å; F290-I301 HydrophobicContact CE1-CD1 4.22Å; F290-I301 HydrophobicContact CZ-CD1 4.16Å; F290-V396 HydrophobicContact CD1-CG1 4.14Å; F290-V396 HydrophobicContact CE1-CG1 3.92Å; F290-F400 HydrophobicContact CD2-CE2 4.24Å; F290-F400 HydrophobicContact CE2-CE2 4.26Å; F290-F400 HydrophobicContact CG-CE2 4.41Å; F290-F400 HydrophobicContact CZ-CE2 4.45Å
291W86.7Confident79.7Confident77 Ų7752 Ų5229%0.29226%0.259SS..Hα-helixtrans-69.8-32.3-175.1-69.8116.7000114L287 P288 N293 I301 P387 K393 V396L287-W291 PolarHBondContact O-N 3.46Å; L287-W291 VanDerWaalsContact O-N 3.17Å; P288-W291 PolarHBondContact O-N 3.43Å; W291-N293 VanDerWaalsContact C-N 3.3Å; W291-N293 PolarHBondContact O-N 2.82Å; W291-I301 HydrophobicContact CH2-CD1 3.74Å; W291-I301 HydrophobicContact CZ3-CD1 4.03Å; W291-P387 HydrophobicContact CZ3-CB 4.12Å; W291-K393 HydrophobicContact CH2-CG 4.29Å; W291-K393 HydrophobicContact CZ2-CB 4.42Å; W291-K393 HydrophobicContact CZ2-CG 4.06Å; W291-V396 HydrophobicContact CH2-CB 4.45Å; W291-V396 HydrophobicContact CH2-CG2 4.06Å; W291-V396 HydrophobicContact CZ2-CB 3.71Å; W291-V396 HydrophobicContact CZ2-CG1 3.75Å; W291-V396 HydrophobicContact CZ2-CG2 3.82Å
292E88.3Confident79Confident151 Ų15149.3 Ų49.371%0.70624%0.243SC*.Hα-helixtrans-66.3-32.2174.9-75.8172-175.800112.7P288 F290P288-E292 WeakPolarHBondContact O-CB 3.08Å; P288-E292 VanDerWaalsContact O-CG 3.32Å; P288-E292 WeakPolarHBondContact O-CG 3.47Å; P288-E292 PolarHBondContact O-N 2.69Å; F290-E292 PolarHBondContact O-N 3.34Å
293N85.1Confident78.4Confident71 Ų7148.7 Ų48.738%0.3824%0.237SC..Hα-helixtrans-109.5-6.9-172.1-63.9-93.5000112.9F268 H289 F290 W291 D295F268-N293 WeakPolarHBondContact CB-O 3.29Å; F268-N293 VanDerWaalsContact CD2-C 3.49Å; F268-N293 HydrophobicContact CD2-CB 3.78Å; F268-N293 WeakPolarHBondContact CD2-O 3.39Å; F268-N293 HydrophobicContact CE2-CB 3.95Å; F268-N293 WeakPolarHBondContact CG-O 3.21Å; H289-N293 PolarHBondContact CE1-ND2 2.95Å; H289-N293 PolarHBondContact ND1-ND2 3.26Å; H289-N293 WeakPolarHBondContact O-CB 3.35Å; H289-N293 PolarHBondContact O-N 2.89Å; H289-N293 VanDerWaalsContact O-N 3.16Å; H289-N293 PolarHBondContact O-ND2 2.89Å; F290-N293 PolarHBondContact O-N 3.39Å; W291-N293 VanDerWaalsContact C-N 3.3Å; W291-N293 PolarHBondContact O-N 2.82Å; N293-D295 PolarHBondContact O-N 2.91Å
294F83Confident77.8Confident16 Ų1644.9 Ų44.97%0.0722%0.218CC..  trans-62.8109-177-175.5-101.8000111.3F268 F290 R296 I301 P359 P387F268-F294 HydrophobicContact CE1-CD2 4.43Å; F290-F294 HydrophobicContact CE1-CD2 4.13Å; F290-F294 HydrophobicContact CE1-CG 4.49Å; F290-F294 AromaticContact CE2-CD2 3.73Å; F290-F294 HydrophobicContact CE2-CD2 3.73Å; F290-F294 HydrophobicContact CE2-CE2 4.26Å; F290-F294 AromaticContact CZ-CD2 3.47Å; F290-F294 HydrophobicContact CZ-CD2 3.47Å; F290-F294 VanDerWaalsContact CZ-CD2 3.47Å; F290-F294 AromaticContact CZ-CE2 3.82Å; F290-F294 HydrophobicContact CZ-CE2 3.82Å; F290-F294 HydrophobicContact CZ-CG 4.25Å; F290-F294 WeakPolarHBondContact O-CA 3.22Å; F290-F294 WeakPolarHBondContact O-CB 3.47Å; F290-F294 PolarHBondContact O-N 2.92Å; F294-R296 HydrophobicContact CD1-CG 3.83Å; F294-R296 HydrophobicContact CE1-CG 3.97Å; F294-R296 PolarHBondContact O-N 3.28Å; F294-I301 HydrophobicContact CE1-CD1 4.32Å; F294-I301 HydrophobicContact CE1-CG1 4.4Å; F294-I301 HydrophobicContact CE2-CD1 4.23Å; F294-I301 HydrophobicContact CE2-CG1 4Å; F294-I301 HydrophobicContact CZ-CD1 3.95Å; F294-I301 HydrophobicContact CZ-CG1 3.65Å; F294-P359 HydrophobicContact CE2-CB 4.22Å; F294-P387 HydrophobicContact CE1-CB 4.1Å; F294-P387 HydrophobicContact CE1-CG 3.93Å
295D79.4Confident77.1Confident35 Ų3542.8 Ų42.819%0.18720%0.201CC..  trans-83.7108176.3177.12.9000110.5S266 A267 F268 N293 E297 G298 Y299S266-D295 WeakPolarHBondContact CA-OD2 3.42Å; S266-D295 WeakPolarHBondContact CB-OD2 3.26Å; S266-D295 VanDerWaalsContact OG-CB 3.25Å; S266-D295 WeakPolarHBondContact OG-CB 3.46Å; S266-D295 VanDerWaalsContact OG-CG 3.28Å; S266-D295 PolarHBondContact OG-OD2 2.99Å; A267-D295 PolarHBondContact N-OD2 2.78Å; F268-D295 HydrophobicContact CB-CB 3.7Å; N293-D295 PolarHBondContact O-N 2.91Å; D295-E297 VanDerWaalsContact C-N 3.28Å; D295-E297 PolarHBondContact O-N 3.19Å; D295-E297 WeakPolarHBondContact OD1-CB 3.23Å; D295-E297 PolarHBondContact OD1-N 2.94Å; D295-G298 PolarHBondContact O-N 3.14Å; D295-G298 PolarHBondContact OD1-N 3.43Å; D295-Y299 PolarHBondContact O-N 3.11Å
296R74.2Confident76.4Confident135 Ų13541.4 Ų41.451%0.50919%0.191SC..THydrogen-bonded Turntrans-74.8-16.6-177.9-55.3172.4-176.1-174.4-6.6113.6F294 K363 E388F294-R296 HydrophobicContact CD1-CG 3.83Å; F294-R296 HydrophobicContact CE1-CG 3.97Å; F294-R296 PolarHBondContact O-N 3.28Å; R296-K363 WeakPolarHBondContact O-CE 3.33Å; R296-E388 IonicContact CZ-OE1 2.88Å; R296-E388 IonicContact NH1-OE1 3.18Å; R296-E388 PolarHBondContact NH1-OE1 3.46Å; R296-E388 IonicContact NH2-OE1 2.88Å; R296-E388 PolarHBondContact NH2-OE1 3.27Å
297E70Confident75.8Confident153 Ų15345.1 Ų45.172%0.71521%0.207SC*.THydrogen-bonded Turntrans-82.7-34.9174.9-58.4-153.5129.200110.8D295D295-E297 VanDerWaalsContact C-N 3.28Å; D295-E297 PolarHBondContact O-N 3.19Å; D295-E297 WeakPolarHBondContact OD1-CB 3.23Å; D295-E297 PolarHBondContact OD1-N 2.94Å
298G66.1Low75.2Confident5 Ų549.4 Ų49.45%0.05222%0.223CC..THydrogen-bonded Turntrans-80.6-47.6175.900000114.9D295 Y361 L362D295-G298 PolarHBondContact O-N 3.14Å; D295-G298 PolarHBondContact OD1-N 3.43Å; G298-Y361 CarbonylContact O-C 3.5Å; G298-Y361 VanDerWaalsContact O-C 3.3Å; G298-Y361 VanDerWaalsContact O-CA 3.22Å; G298-Y361 WeakPolarHBondContact O-CA 3.45Å; G298-Y361 WeakPolarHBondContact O-CD2 3.49Å; G298-Y361 WeakPolarHBondContact O-CE2 3.35Å; G298-L362 PolarHBondContact O-N 3.19Å
299Y69.4Low74Confident13 Ų1348.4 Ų48.45%0.05122%0.217CC..  trans-116.9151.9-168.1-68.7-96.2000113.3S266 F268 M270 D295 S338 P359 I360 Y361S266-Y299 WeakPolarHBondContact OG-CE2 3.24Å; F268-Y299 HydrophobicContact CB-CD2 4.05Å; F268-Y299 HydrophobicContact CB-CE2 3.83Å; F268-Y299 AromaticContact CD1-CD2 3.74Å; F268-Y299 HydrophobicContact CD1-CD2 3.74Å; F268-Y299 AromaticContact CD1-CE2 3.65Å; F268-Y299 HydrophobicContact CD1-CE2 3.65Å; F268-Y299 HydrophobicContact CD1-CG 4.21Å; F268-Y299 HydrophobicContact CG-CD2 4.39Å; F268-Y299 HydrophobicContact CG-CE2 4.22Å; M270-Y299 HydrophobicContact CE-CD1 3.9Å; M270-Y299 HydrophobicContact CE-CE1 3.42Å; M270-Y299 VanDerWaalsContact CE-CE1 3.42Å; D295-Y299 PolarHBondContact O-N 3.11Å; Y299-S338 WeakPolarHBondContact OH-CB 3.42Å; Y299-P359 HydrophobicContact CD1-CB 4.22Å; Y299-I360 CarbonylContact C-O 3.06Å; Y299-I360 VanDerWaalsContact CA-O 3.3Å; Y299-I360 WeakPolarHBondContact CA-O 3.09Å; Y299-Y361 HydrophobicContact CD1-CD2 4.36Å; Y299-Y361 AromaticContact CD2-CD2 3.91Å; Y299-Y361 HydrophobicContact CD2-CD2 3.91Å; Y299-Y361 HydrophobicContact CD2-CE2 4.49Å; Y299-Y361 HydrophobicContact CE1-CD2 4.14Å; Y299-Y361 HydrophobicContact CE1-CG 4.49Å; Y299-Y361 AromaticContact CE2-CD2 3.66Å; Y299-Y361 HydrophobicContact CE2-CD2 3.66Å; Y299-Y361 HydrophobicContact CE2-CE2 4.24Å; Y299-Y361 HydrophobicContact CG-CD2 4.26Å; Y299-Y361 AromaticContact CZ-CD2 3.81Å
300S67.1Low72.8Confident4 Ų452.2 Ų52.23%0.02824%0.235CC..EExtended strand (participates in β ladder)trans-132.3144.217557.70000110.9W302 P359 I360 L362S300-W302 PolarHBondContact OG-NE1 2.68Å; S300-P359 CarbonylContact O-C 3.55Å; S300-P359 WeakPolarHBondContact O-CA 3.29Å; S300-I360 PolarHBondContact N-O 2.47Å; S300-I360 PolarHBondContact O-N 3.49Å; S300-I360 PolarHBondContact OG-O 3.26Å; S300-L362 PolarHBondContact OG-O 2.81Å; S300-L362 VanDerWaalsContact OG-O 3.13Å
301I73.6Confident71.7Confident2 Ų257.5 Ų57.51%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-99.2130-178.8-55.1175.3000109.1F290 W291 F294 V357 W358 L385 P387 V396F290-I301 HydrophobicContact CE1-CD1 4.22Å; F290-I301 HydrophobicContact CZ-CD1 4.16Å; W291-I301 HydrophobicContact CH2-CD1 3.74Å; W291-I301 HydrophobicContact CZ3-CD1 4.03Å; F294-I301 HydrophobicContact CE1-CD1 4.32Å; F294-I301 HydrophobicContact CE1-CG1 4.4Å; F294-I301 HydrophobicContact CE2-CD1 4.23Å; F294-I301 HydrophobicContact CE2-CG1 4Å; F294-I301 HydrophobicContact CZ-CD1 3.95Å; F294-I301 HydrophobicContact CZ-CG1 3.65Å; I301-V357 HydrophobicContact CG2-CG1 3.58Å; I301-W358 CarbonylContact C-O 3.5Å; I301-W358 VanDerWaalsContact CA-O 3.27Å; I301-W358 WeakPolarHBondContact CA-O 3.24Å; I301-L385 HydrophobicContact CB-CB 4.4Å; I301-L385 HydrophobicContact CG2-CB 4.33Å; I301-L385 HydrophobicContact CG2-CD1 4.08Å; I301-L385 PolarHBondContact O-N 3.14Å; I301-P387 HydrophobicContact CD1-CB 4.3Å; I301-P387 HydrophobicContact CD1-CG 4.35Å; I301-V396 HydrophobicContact CD1-CG2 4.06Å; I301-V396 HydrophobicContact CG2-CG2 4.17Å
302W68.1Low70.4Confident33 Ų3354.1 Ų54.113%0.12525%0.247CC..EExtended strand (participates in β ladder)trans-122.5143.8-179.9-68.478.3000111.5S300 V357 W358 I360 W382 K384S300-W302 PolarHBondContact OG-NE1 2.68Å; W302-V357 CarbonylContact O-C 3.48Å; W302-V357 VanDerWaalsContact O-CA 3.24Å; W302-V357 WeakPolarHBondContact O-CA 2.96Å; W302-W358 HydrophobicContact CB-CB 4.42Å; W302-W358 PolarHBondContact N-O 3.22Å; W302-W358 PolarHBondContact O-N 3.08Å; W302-I360 HydrophobicContact CB-CD1 4.41Å; W302-I360 VanDerWaalsContact CD1-CD1 3.45Å; W302-I360 HydrophobicContact CD2-CD1 4.5Å; W302-I360 HydrophobicContact CG-CD1 3.89Å; W302-W382 HydrophobicContact CE3-CB 4.43Å; W302-K384 HydrophobicContact CD2-CB 4Å; W302-K384 HydrophobicContact CD2-CG 4.27Å; W302-K384 HydrophobicContact CE3-CB 3.89Å; W302-K384 HydrophobicContact CH2-CB 3.82Å; W302-K384 HydrophobicContact CH2-CD 4.33Å; W302-K384 HydrophobicContact CH2-CG 4.39Å; W302-K384 HydrophobicContact CZ2-CB 3.92Å; W302-K384 HydrophobicContact CZ2-CD 3.85Å; W302-K384 HydrophobicContact CZ2-CG 3.99Å; W302-K384 HydrophobicContact CZ3-CB 3.8Å
303Y68.8Low68.7Low15 Ų1549.9 Ų49.96%0.05923%0.231CC..EExtended strand (participates in β ladder)trans-105.6126.9169.5171.8-97.2000108.9Q305 V355 V356 W382 R383 M395Y303-Q305 HydrophobicContact CE1-CB 3.75Å; Y303-Q305 PolarHBondContact OH-OE1 3.18Å; Y303-V355 HydrophobicContact CD2-CG1 3.3Å; Y303-V355 HydrophobicContact CE2-CB 4.06Å; Y303-V355 HydrophobicContact CE2-CG1 3.08Å; Y303-V355 HydrophobicContact CE2-CG2 3.78Å; Y303-V355 HydrophobicContact CG-CG1 4.43Å; Y303-V356 VanDerWaalsContact CA-O 3.23Å; Y303-V356 WeakPolarHBondContact CA-O 3.39Å; Y303-W382 CarbonylContact O-C 3.56Å; Y303-W382 WeakPolarHBondContact O-CA 3.28Å; Y303-R383 HydrophobicContact CD1-CB 4.29Å; Y303-R383 PolarHBondContact N-O 2.9Å; Y303-R383 PolarHBondContact O-N 3.35Å; Y303-M395 HydrophobicContact CD2-CE 2.97Å; Y303-M395 HydrophobicContact CE2-CE 3.33Å; Y303-M395 HydrophobicContact CG-CE 3.75Å
304A66.6Low67.2Low0 Ų050.4 Ų50.40%023%0.234CC..EExtended strand (participates in β ladder)trans-112.8148169.700000110.3V355 V356 Y380 D381 W382A304-V355 WeakPolarHBondContact O-CA 3.34Å; A304-V356 HydrophobicContact CB-CB 3.8Å; A304-V356 HydrophobicContact CB-CG2 4.22Å; A304-V356 PolarHBondContact N-O 2.96Å; A304-V356 VanDerWaalsContact N-O 3.08Å; A304-V356 PolarHBondContact O-N 2.71Å; A304-Y380 HydrophobicContact CB-CD1 4.37Å; A304-D381 CarbonylContact C-O 3.59Å; A304-D381 VanDerWaalsContact CA-O 3.29Å; A304-D381 WeakPolarHBondContact CA-O 3.45Å; A304-W382 HydrophobicContact CB-CD2 3.81Å; A304-W382 HydrophobicContact CB-CE3 3.49Å; A304-W382 VanDerWaalsContact CB-CE3 3.49Å; A304-W382 HydrophobicContact CB-CH2 3.67Å; A304-W382 HydrophobicContact CB-CZ2 3.97Å; A304-W382 HydrophobicContact CB-CZ3 3.41Å; A304-W382 VanDerWaalsContact CB-CZ3 3.41Å
305Q68.4Low65.6Low59 Ų5952 Ų5228%0.27625%0.245SC..EExtended strand (participates in β ladder)trans-138.3126174.2-175.3170.5-0.800111.1Y303 K307 C353 I354 V355 Y380 D381Y303-Q305 HydrophobicContact CE1-CB 3.75Å; Y303-Q305 PolarHBondContact OH-OE1 3.18Å; Q305-K307 PolarHBondContact O-N 2.79Å; Q305-C353 WeakPolarHBondContact CG-SG 3.19Å; Q305-C353 PolarHBondContact NE2-SG 2.86Å; Q305-I354 WeakPolarHBondContact CA-O 3.29Å; Q305-V355 HydrophobicContact CG-CG2 4.48Å; Q305-Y380 CarbonylContact O-C 3.54Å; Q305-Y380 VanDerWaalsContact O-CA 3.27Å; Q305-Y380 WeakPolarHBondContact O-CA 3.45Å; Q305-D381 PolarHBondContact N-O 3.18Å; Q305-D381 PolarHBondContact O-N 2.88Å
306Y67.6Low64.3Low21 Ų2155.9 Ų55.98%0.08226%0.26CS..EExtended strand (participates in β ladder)trans-64131.5178.2-171.3-117.6000112Y308 E311 L312 L321 I354 S379 Y380Y306-Y308 HydrophobicContact CE1-CD2 4.39Å; Y306-Y308 WeakPolarHBondContact CE1-O 3.31Å; Y306-Y308 HydrophobicContact CE2-CD2 4.25Å; Y306-Y308 AromaticContact CZ-CD2 3.9Å; Y306-E311 PolarHBondContact OH-OE2 3.11Å; Y306-L312 HydrophobicContact CD1-CD1 3.84Å; Y306-L312 HydrophobicContact CD1-CG 4.37Å; Y306-L312 HydrophobicContact CE1-CD1 4.18Å; Y306-L312 HydrophobicContact CE1-CG 4.25Å; Y306-L321 HydrophobicContact CD1-CD2 4.35Å; Y306-L321 HydrophobicContact CD2-CD2 4.2Å; Y306-L321 HydrophobicContact CE1-CD2 3.99Å; Y306-L321 HydrophobicContact CE2-CD2 3.83Å; Y306-L321 HydrophobicContact CG-CD2 4.46Å; Y306-I354 PolarHBondContact N-O 2.95Å; Y306-S379 VanDerWaalsContact CD2-O 3.32Å; Y306-S379 WeakPolarHBondContact CD2-O 3.31Å; Y306-Y380 HydrophobicContact CD2-CD1 4.2Å; Y306-Y380 HydrophobicContact CD2-CD2 4.2Å; Y306-Y380 AromaticContact CD2-CE1 3.8Å; Y306-Y380 HydrophobicContact CD2-CE1 3.8Å; Y306-Y380 AromaticContact CD2-CE2 3.77Å; Y306-Y380 HydrophobicContact CD2-CE2 3.77Å; Y306-Y380 HydrophobicContact CD2-CG 4.38Å; Y306-Y380 AromaticContact CD2-CZ 3.55Å; Y306-Y380 HydrophobicContact CE2-CE2 4.24Å; Y306-Y380 HydrophobicContact CG-CE1 4.25Å
307K68.8Low63.3Low78 Ų7853.6 Ų53.634%0.33925%0.254SS..SBendtrans-76.6-22.1-172.9-73.6175.4177.4160.60114.8Q305 P309 E378 S379 Y380 D381Q305-K307 PolarHBondContact O-N 2.79Å; K307-P309 WeakPolarHBondContact O-CD 3.37Å; K307-E378 WeakPolarHBondContact CD-O 3.15Å; K307-E378 PolarHBondContact NZ-O 2.98Å; K307-S379 WeakPolarHBondContact CB-O 3.33Å; K307-S379 WeakPolarHBondContact CG-O 3.43Å; K307-S379 PolarHBondContact N-O 2.7Å; K307-Y380 VanDerWaalsContact CE-C 3.49Å; K307-Y380 VanDerWaalsContact CE-O 3.25Å; K307-Y380 WeakPolarHBondContact CE-O 3.38Å; K307-Y380 PolarHBondContact NZ-O 3.23Å; K307-D381 VanDerWaalsContact CE-CG 3.5Å; K307-D381 WeakPolarHBondContact CE-OD1 3.22Å; K307-D381 IonicContact NZ-OD1 3.77Å
308Y69.6Low62.5Low100 Ų10046.3 Ų46.339%0.39222%0.22SC..  trans-117.958.3-171.5-47.9-71.5000113Y306 E310 E311Y306-Y308 HydrophobicContact CE1-CD2 4.39Å; Y306-Y308 WeakPolarHBondContact CE1-O 3.31Å; Y306-Y308 HydrophobicContact CE2-CD2 4.25Å; Y306-Y308 AromaticContact CZ-CD2 3.9Å; Y308-E310 PolarHBondContact O-N 2.84Å; Y308-E310 VanDerWaalsContact O-N 3.09Å; Y308-E311 PolarHBondContact O-N 3.25Å
309P63.8Low62Low30 Ų3047.2 Ų47.220%0.19523%0.226CC..G310 helixtrans-59-25.5-177.326.9-35.4000113.1K307 E311 L312 W351 F352K307-P309 WeakPolarHBondContact O-CD 3.37Å; P309-E311 PolarHBondContact O-N 3.25Å; P309-L312 PolarHBondContact O-N 3.18Å; P309-L312 VanDerWaalsContact O-N 3.1Å; P309-W351 HydrophobicContact CB-CB 4.35Å; P309-W351 WeakPolarHBondContact O-CB 3.27Å; P309-F352 WeakPolarHBondContact CA-O 3.36Å; P309-F352 WeakPolarHBondContact CB-O 3.24Å
310E59.4Low61.4Low97 Ų9751.4 Ų51.445%0.45325%0.249SC..G310 helixtrans-67.5-3.6174.367.9-76.5174.100115.7Y308 W351Y308-E310 PolarHBondContact O-N 2.84Å; Y308-E310 VanDerWaalsContact O-N 3.09Å; E310-W351 HydrophobicContact CB-CD2 4.25Å; E310-W351 HydrophobicContact CB-CE3 4.23Å; E310-W351 HydrophobicContact CB-CH2 3.83Å; E310-W351 HydrophobicContact CB-CZ2 3.92Å; E310-W351 HydrophobicContact CB-CZ3 4.01Å; E310-W351 WeakPolarHBondContact O-CH2 3.46Å; E310-W351 WeakPolarHBondContact O-CZ3 3.43Å
311E61.9Low60.9Low112 Ų11253.6 Ų53.652%0.52326%0.26SS..G310 helixtrans-95-17.2171.4-61.7-172.3160.300111.4Y306 Y308 P309 T313Y306-E311 PolarHBondContact OH-OE2 3.11Å; Y308-E311 PolarHBondContact O-N 3.25Å; P309-E311 PolarHBondContact O-N 3.25Å; E311-T313 PolarHBondContact O-N 3.11Å
312L59.1Low60.1Low7 Ų753.8 Ų53.84%0.03726%0.261CS..  trans-94.770.7-177.3-55.8-177.4000110.1Y306 P309 L321 W351 F352Y306-L312 HydrophobicContact CD1-CD1 3.84Å; Y306-L312 HydrophobicContact CD1-CG 4.37Å; Y306-L312 HydrophobicContact CE1-CD1 4.18Å; Y306-L312 HydrophobicContact CE1-CG 4.25Å; P309-L312 PolarHBondContact O-N 3.18Å; P309-L312 VanDerWaalsContact O-N 3.1Å; L312-L321 HydrophobicContact CD1-CD2 4.45Å; L312-L321 HydrophobicContact CD2-CD2 4.03Å; L312-W351 WeakPolarHBondContact O-CA 3.11Å; L312-F352 HydrophobicContact CB-CB 3.93Å; L312-F352 HydrophobicContact CB-CD2 4.4Å; L312-F352 HydrophobicContact CD1-CB 4.26Å; L312-F352 VanDerWaalsContact O-CD2 3.24Å; L312-F352 WeakPolarHBondContact O-CD2 3.34Å; L312-F352 PolarHBondContact O-N 3.33Å
313T53.7Low59.3Low61 Ų6155.3 Ų55.337%0.37427%0.274SS..  trans-76.8-21.4179.951.50000114.9E311 K317 W351E311-T313 PolarHBondContact O-N 3.11Å; T313-K317 PolarHBondContact OG1-NZ 2.88Å; T313-W351 HydrophobicContact CG2-CE3 3.98Å; T313-W351 HydrophobicContact CG2-CH2 3.98Å; T313-W351 HydrophobicContact CG2-CZ3 3.22Å
314L53.3Low58.5Low83 Ų8356 Ų5644%0.43529%0.285SS..SBendtrans-136.7139.6-170.4-64.1170000109.5F316 K317 S318L314-F316 HydrophobicContact CB-CD1 3.8Å; L314-F316 HydrophobicContact CB-CE1 3.63Å; L314-F316 HydrophobicContact CB-CZ 4.39Å; L314-F316 HydrophobicContact CD1-CD1 4.41Å; L314-F316 HydrophobicContact CD1-CE1 3.44Å; L314-F316 VanDerWaalsContact CD1-CE1 3.44Å; L314-F316 HydrophobicContact CD1-CZ 3.92Å; L314-F316 HydrophobicContact CG-CE1 4.12Å; L314-F316 PolarHBondContact O-N 2.87Å; L314-F316 VanDerWaalsContact O-N 3.15Å; L314-K317 HydrophobicContact CB-CD 4.45Å; L314-K317 HydrophobicContact CB-CG 4.3Å; L314-K317 WeakPolarHBondContact O-CB 2.98Å; L314-K317 PolarHBondContact O-N 2.97Å; L314-S318 PolarHBondContact O-N 3.18Å; L314-S318 PolarHBondContact O-OG 3.42Å
315T48.1Very low57.8Low49 Ų4956.7 Ų56.730%0.30129%0.289SS..Hα-helixtrans-54.3-41-173.7-41.50000112.1K317 S318 C319 F352T315-K317 VanDerWaalsContact C-N 3.3Å; T315-K317 PolarHBondContact O-N 3.43Å; T315-S318 WeakPolarHBondContact O-CB 3.2Å; T315-S318 PolarHBondContact O-N 3.31Å; T315-C319 PolarHBondContact O-N 3.13Å; T315-C319 PolarHBondContact O-SG 2.89Å; T315-F352 HydrophobicContact CG2-CE1 3.99Å; T315-F352 HydrophobicContact CG2-CZ 4.1Å; T315-F352 WeakPolarHBondContact OG1-CZ 3.36Å
316F52.1Low56.8Low116 Ų11654.5 Ų54.551%0.50928%0.279SS..Hα-helixtrans-66.7-28179.978.7-96.4000113.3L314 C319 N320L314-F316 HydrophobicContact CB-CD1 3.8Å; L314-F316 HydrophobicContact CB-CE1 3.63Å; L314-F316 HydrophobicContact CB-CZ 4.39Å; L314-F316 HydrophobicContact CD1-CD1 4.41Å; L314-F316 HydrophobicContact CD1-CE1 3.44Å; L314-F316 VanDerWaalsContact CD1-CE1 3.44Å; L314-F316 HydrophobicContact CD1-CZ 3.92Å; L314-F316 HydrophobicContact CG-CE1 4.12Å; L314-F316 PolarHBondContact O-N 2.87Å; L314-F316 VanDerWaalsContact O-N 3.15Å; F316-C319 PolarHBondContact O-N 2.89Å; F316-N320 VanDerWaalsContact O-CB 3.26Å; F316-N320 WeakPolarHBondContact O-CB 3.33Å; F316-N320 PolarHBondContact O-N 3.12Å; F316-N320 PolarHBondContact O-ND2 2.83Å; F316-N320 PolarHBondContact O-OD1 2.62Å
317K53.6Low55.5Low87 Ų8758.8 Ų58.838%0.37830%0.3SS..Hα-helixtrans-67.5-42.8176-70.3-176.3173.4-173.50110.4T313 L314 T315 N320 L321T313-K317 PolarHBondContact OG1-NZ 2.88Å; L314-K317 HydrophobicContact CB-CD 4.45Å; L314-K317 HydrophobicContact CB-CG 4.3Å; L314-K317 WeakPolarHBondContact O-CB 2.98Å; L314-K317 PolarHBondContact O-N 2.97Å; T315-K317 VanDerWaalsContact C-N 3.3Å; T315-K317 PolarHBondContact O-N 3.43Å; K317-N320 PolarHBondContact O-N 3.43Å; K317-L321 WeakPolarHBondContact O-CB 3.32Å; K317-L321 PolarHBondContact O-N 3.48Å
318S53.1Low54.5Low0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-62.9-45.4173.9-34.40000111L314 T315 N320 L321 I322 F352L314-S318 PolarHBondContact O-N 3.18Å; L314-S318 PolarHBondContact O-OG 3.42Å; T315-S318 WeakPolarHBondContact O-CB 3.2Å; T315-S318 PolarHBondContact O-N 3.31Å; S318-N320 VanDerWaalsContact C-N 3.32Å; S318-N320 PolarHBondContact O-N 3.18Å; S318-L321 PolarHBondContact O-N 3.2Å; S318-I322 WeakPolarHBondContact O-CB 3.36Å; S318-I322 VanDerWaalsContact O-CG1 3.24Å; S318-I322 WeakPolarHBondContact O-CG1 3.25Å; S318-I322 PolarHBondContact O-N 2.59Å; S318-F352 WeakPolarHBondContact OG-CB 3.44Å; S318-F352 WeakPolarHBondContact OG-CD2 3.1Å; S318-F352 WeakPolarHBondContact OG-CG 3.36Å
319C56Low53.4Low25 Ų2555.1 Ų55.117%0.16929%0.288CS..Hα-helixtrans-66.6-32.5177.6-620000112.8T315 F316 T323 Q415T315-C319 PolarHBondContact O-N 3.13Å; T315-C319 PolarHBondContact O-SG 2.89Å; F316-C319 PolarHBondContact O-N 2.89Å; C319-T323 VanDerWaalsContact O-CB 3.32Å; C319-T323 WeakPolarHBondContact O-CB 3.41Å; C319-T323 PolarHBondContact O-N 2.74Å; C319-T323 PolarHBondContact O-OG1 3.03Å; C319-Q415 PolarHBondContact SG-OE1 3.41Å
320N56.5Low52Low101 Ų10156.8 Ų56.854%0.5429%0.29SS..Hα-helixtrans-71.4-39.3174.1-73.1-4.6000111.6F316 K317 S318 T323 G324F316-N320 VanDerWaalsContact O-CB 3.26Å; F316-N320 WeakPolarHBondContact O-CB 3.33Å; F316-N320 PolarHBondContact O-N 3.12Å; F316-N320 PolarHBondContact O-ND2 2.83Å; F316-N320 PolarHBondContact O-OD1 2.62Å; K317-N320 PolarHBondContact O-N 3.43Å; S318-N320 VanDerWaalsContact C-N 3.32Å; S318-N320 PolarHBondContact O-N 3.18Å; N320-T323 PolarHBondContact O-N 3.38Å; N320-G324 PolarHBondContact O-N 3.16Å
321L57.7Low50.7Low50 Ų5056.2 Ų56.226%0.26229%0.29SS..Hα-helixtrans-65.2-47.8175.5-169.269.3000110.8Y306 L312 K317 S318 T323 G324 E325 I354Y306-L321 HydrophobicContact CD1-CD2 4.35Å; Y306-L321 HydrophobicContact CD2-CD2 4.2Å; Y306-L321 HydrophobicContact CE1-CD2 3.99Å; Y306-L321 HydrophobicContact CE2-CD2 3.83Å; Y306-L321 HydrophobicContact CG-CD2 4.46Å; L312-L321 HydrophobicContact CD1-CD2 4.45Å; L312-L321 HydrophobicContact CD2-CD2 4.03Å; K317-L321 WeakPolarHBondContact O-CB 3.32Å; K317-L321 PolarHBondContact O-N 3.48Å; S318-L321 PolarHBondContact O-N 3.2Å; L321-T323 PolarHBondContact O-N 2.9Å; L321-G324 PolarHBondContact O-N 3.15Å; L321-G324 VanDerWaalsContact O-N 3.08Å; L321-E325 WeakPolarHBondContact O-CB 3.28Å; L321-E325 PolarHBondContact O-N 3.27Å; L321-I354 HydrophobicContact CB-CD1 4.22Å; L321-I354 HydrophobicContact CD2-CD1 3.76Å; L321-I354 HydrophobicContact CG-CD1 4.06Å
322I55.3Low49.7Very low5 Ų552.2 Ų52.23%0.02627%0.272CS..Hα-helixtrans-50.3-46.5168.6-75.9170.4000110.5S318 G324 E325 T326 E343 P345 I354 K417S318-I322 WeakPolarHBondContact O-CB 3.36Å; S318-I322 VanDerWaalsContact O-CG1 3.24Å; S318-I322 WeakPolarHBondContact O-CG1 3.25Å; S318-I322 PolarHBondContact O-N 2.59Å; I322-G324 PolarHBondContact O-N 3.49Å; I322-E325 PolarHBondContact O-N 2.82Å; I322-T326 WeakPolarHBondContact O-CB 3.46Å; I322-T326 PolarHBondContact O-N 3.5Å; I322-T326 PolarHBondContact O-OG1 2.67Å; I322-E343 WeakPolarHBondContact CA-OE2 3.43Å; I322-E343 VanDerWaalsContact CB-OE2 3.3Å; I322-E343 WeakPolarHBondContact CB-OE2 3.46Å; I322-E343 HydrophobicContact CD1-CB 4.3Å; I322-E343 HydrophobicContact CG1-CB 4.26Å; I322-E343 VanDerWaalsContact CG1-OE2 3.26Å; I322-E343 WeakPolarHBondContact CG1-OE2 3.25Å; I322-E343 HydrophobicContact CG2-CB 4.35Å; I322-E343 WeakPolarHBondContact CG2-OE2 3.27Å; I322-P345 HydrophobicContact CD1-CG 4.4Å; I322-I354 HydrophobicContact CD1-CD1 4.45Å; I322-I354 HydrophobicContact CD1-CG1 4.1Å; I322-I354 HydrophobicContact CG1-CD1 3.6Å; I322-I354 HydrophobicContact CG1-CG1 3.75Å; I322-I354 HydrophobicContact CG1-CG2 4.16Å; I322-K417 HydrophobicContact CG2-CB 4.02Å; I322-K417 HydrophobicContact CG2-CD 3.55Å; I322-K417 HydrophobicContact CG2-CG 4.44Å
323T51.7Low48.9Very low66 Ų6653.7 Ų53.741%0.40528%0.283SS..Hα-helixtrans-67.7-36.2-179.8-58.90000113C319 N320 L321 Q327C319-T323 VanDerWaalsContact O-CB 3.32Å; C319-T323 WeakPolarHBondContact O-CB 3.41Å; C319-T323 PolarHBondContact O-N 2.74Å; C319-T323 PolarHBondContact O-OG1 3.03Å; N320-T323 PolarHBondContact O-N 3.38Å; L321-T323 PolarHBondContact O-N 2.9Å; T323-Q327 WeakPolarHBondContact O-CB 3.45Å; T323-Q327 PolarHBondContact O-N 3.12Å; T323-Q327 VanDerWaalsContact O-N 3.17Å
324G52.5Low48.1Very low29 Ų2956.8 Ų56.830%0.29929%0.291SS..Hα-helixtrans-70.5-41.8174.500000113.4N320 L321 I322 Q327 Q328N320-G324 PolarHBondContact O-N 3.16Å; L321-G324 PolarHBondContact O-N 3.15Å; L321-G324 VanDerWaalsContact O-N 3.08Å; I322-G324 PolarHBondContact O-N 3.49Å; G324-Q327 WeakPolarHBondContact O-CB 3.43Å; G324-Q327 PolarHBondContact O-N 2.58Å; G324-Q327 VanDerWaalsContact O-N 3.15Å; G324-Q328 PolarHBondContact O-N 3.09Å
325E52Low47.3Very low14 Ų1455 Ų557%0.06528%0.281CS..Hα-helixtrans-62.2-49.1174.3-175.8176.9-162.400110.2L321 I322 Q327 Q328 E329 Y380L321-E325 WeakPolarHBondContact O-CB 3.28Å; L321-E325 PolarHBondContact O-N 3.27Å; I322-E325 PolarHBondContact O-N 2.82Å; E325-Q327 PolarHBondContact O-N 3.45Å; E325-Q327 VanDerWaalsContact O-N 3.13Å; E325-Q328 PolarHBondContact O-N 3.02Å; E325-Q328 VanDerWaalsContact O-N 3.08Å; E325-E329 HydrophobicContact CG-CG 4.4Å; E325-E329 WeakPolarHBondContact O-CB 3.48Å; E325-E329 WeakPolarHBondContact O-CG 3.4Å; E325-E329 PolarHBondContact O-N 3.45Å; E325-Y380 WeakPolarHBondContact OE1-CE1 3.05Å; E325-Y380 PolarHBondContact OE1-OH 2.78Å; E325-Y380 PolarHBondContact OE2-OH 3.5Å
326T46.8Very low47.1Very low13 Ų1354.5 Ų54.58%0.0827%0.274CS..Hα-helixtrans-56.8-32.3174-44.40000112I322 W330 K417 F419I322-T326 WeakPolarHBondContact O-CB 3.46Å; I322-T326 PolarHBondContact O-N 3.5Å; I322-T326 PolarHBondContact O-OG1 2.67Å; T326-W330 WeakPolarHBondContact O-CB 3.37Å; T326-W330 PolarHBondContact O-N 3.35Å; T326-K417 PolarHBondContact OG1-NZ 3.06Å; T326-F419 HydrophobicContact CG2-CB 4.34Å; T326-F419 HydrophobicContact CG2-CD2 3.39Å; T326-F419 HydrophobicContact CG2-CE2 4.01Å; T326-F419 HydrophobicContact CG2-CG 4.17Å
327Q40.3Very low46.6Very low112 Ų11255.1 Ų55.152%0.52328%0.282SS..Hα-helixtrans-80.4-25.7-179.1-168176.60.400113T323 G324 E325 W330T323-Q327 WeakPolarHBondContact O-CB 3.45Å; T323-Q327 PolarHBondContact O-N 3.12Å; T323-Q327 VanDerWaalsContact O-N 3.17Å; G324-Q327 WeakPolarHBondContact O-CB 3.43Å; G324-Q327 PolarHBondContact O-N 2.58Å; G324-Q327 VanDerWaalsContact O-N 3.15Å; E325-Q327 PolarHBondContact O-N 3.45Å; E325-Q327 VanDerWaalsContact O-N 3.13Å; Q327-W330 WeakPolarHBondContact O-CB 3.45Å
328Q47.2Very low46.1Very low81 Ų8152.4 Ų52.438%0.37927%0.274SS..Hα-helixtrans-86.7-38172.7-75.9-178.9-5.400112.3G324 E325 W330 L331 D376G324-Q328 PolarHBondContact O-N 3.09Å; E325-Q328 PolarHBondContact O-N 3.02Å; E325-Q328 VanDerWaalsContact O-N 3.08Å; Q328-W330 PolarHBondContact O-N 3.1Å; Q328-W330 VanDerWaalsContact O-N 3.13Å; Q328-L331 WeakPolarHBondContact O-CB 3.33Å; Q328-L331 PolarHBondContact O-N 3.19Å; Q328-D376 PolarHBondContact OE1-OD2 3.06Å; Q328-D376 VanDerWaalsContact OE1-OD2 3.06Å
329E46.7Very low45.6Very low19 Ų1953.4 Ų53.49%0.08928%0.28CS..Hα-helixtrans-59.1-19.7167-71.8-170.4157.800112.2E325 I332 S333E325-E329 HydrophobicContact CG-CG 4.4Å; E325-E329 WeakPolarHBondContact O-CB 3.48Å; E325-E329 WeakPolarHBondContact O-CG 3.4Å; E325-E329 PolarHBondContact O-N 3.45Å; E329-I332 CarbonylContact O-C 3.3Å; E329-I332 WeakPolarHBondContact O-CA 3.37Å; E329-I332 VanDerWaalsContact O-CB 3.3Å; E329-I332 WeakPolarHBondContact O-CB 3.15Å; E329-I332 PolarHBondContact O-N 2.86Å; E329-S333 WeakPolarHBondContact O-CB 3.5Å; E329-S333 PolarHBondContact O-N 3.3Å
330W34.8Very low45Very low65 Ų6552.2 Ų52.225%0.24627%0.272CS..Hα-helixtrans-74.7-24.9173.3-178.793.1000114.1C246 L250 T326 Q327 Q328 I332 S333 K334C246-W330 HydrophobicContact CB-CH2 4.13Å; C246-W330 HydrophobicContact CB-CZ2 4.39Å; L250-W330 HydrophobicContact CD1-CH2 2.92Å; L250-W330 HydrophobicContact CD1-CZ2 3.26Å; L250-W330 HydrophobicContact CD1-CZ3 3.68Å; L250-W330 HydrophobicContact CD2-CE3 4.47Å; L250-W330 HydrophobicContact CD2-CH2 3.57Å; L250-W330 HydrophobicContact CD2-CZ3 3.42Å; L250-W330 VanDerWaalsContact CD2-CZ3 3.42Å; L250-W330 HydrophobicContact CG-CH2 3.24Å; L250-W330 HydrophobicContact CG-CZ2 4.11Å; L250-W330 HydrophobicContact CG-CZ3 3.7Å; T326-W330 WeakPolarHBondContact O-CB 3.37Å; T326-W330 PolarHBondContact O-N 3.35Å; Q327-W330 WeakPolarHBondContact O-CB 3.45Å; Q328-W330 PolarHBondContact O-N 3.1Å; Q328-W330 VanDerWaalsContact O-N 3.13Å; W330-I332 VanDerWaalsContact C-N 3.29Å; W330-S333 WeakPolarHBondContact CA-OG 3.13Å; W330-S333 PolarHBondContact O-OG 2.92Å; W330-K334 PolarHBondContact O-N 3.29Å
331L31.4Very low44.6Very low86 Ų8647.4 Ų47.445%0.4525%0.246SC..Hα-helixtrans-70.1-32.5164.8-116.695.9000111Q328 K334Q328-L331 WeakPolarHBondContact O-CB 3.33Å; Q328-L331 PolarHBondContact O-N 3.19Å; L331-K334 WeakPolarHBondContact O-CB 3.21Å
332I42.1Very low44.1Very low27 Ų2745 Ų4514%0.13823%0.234CC..Hα-helixtrans-73.6-36.8177.7-61.4176.1000111.1E329 W330 K334 L335 W373E329-I332 CarbonylContact O-C 3.3Å; E329-I332 WeakPolarHBondContact O-CA 3.37Å; E329-I332 VanDerWaalsContact O-CB 3.3Å; E329-I332 WeakPolarHBondContact O-CB 3.15Å; E329-I332 PolarHBondContact O-N 2.86Å; W330-I332 VanDerWaalsContact C-N 3.29Å; I332-K334 VanDerWaalsContact C-N 3.3Å; I332-K334 PolarHBondContact O-N 3.37Å; I332-L335 PolarHBondContact O-N 3.5Å; I332-W373 HydrophobicContact CD1-CG 4.25Å; I332-W373 HydrophobicContact CG1-CG 4.4Å; I332-W373 HydrophobicContact CG2-CD2 4.39Å; I332-W373 HydrophobicContact CG2-CZ2 4Å
333S41.2Very low43.9Very low38 Ų3844.9 Ų44.927%0.26623%0.233SC..Hα-helixtrans-70-21.9178.979.60000113.7E329 W330 L335 R336E329-S333 WeakPolarHBondContact O-CB 3.5Å; E329-S333 PolarHBondContact O-N 3.3Å; W330-S333 WeakPolarHBondContact CA-OG 3.13Å; W330-S333 PolarHBondContact O-OG 2.92Å; S333-L335 PolarHBondContact O-N 2.88Å; S333-R336 CarbonylContact O-C 3.41Å; S333-R336 VanDerWaalsContact O-C 3.31Å; S333-R336 PolarHBondContact O-N 3.43Å
334K37.1Very low43.9Very low126 Ų12641.8 Ų41.855%0.54821%0.214SC..THydrogen-bonded Turntrans-55.6-18.3169.3-119.9-175.2-174.7178.20112.9W330 L331 I332W330-K334 PolarHBondContact O-N 3.29Å; L331-K334 WeakPolarHBondContact O-CB 3.21Å; I332-K334 VanDerWaalsContact C-N 3.3Å; I332-K334 PolarHBondContact O-N 3.37Å
335L37.5Very low43.8Very low45 Ų4540.5 Ų40.524%0.23620%0.2CC..THydrogen-bonded Turntrans-97.3-15.1175-67.5173.8000114.1D258 P259 F260 I332 S333D258-L335 HydrophobicContact CB-CD2 4.47Å; P259-L335 HydrophobicContact CG-CD1 3.98Å; P259-L335 HydrophobicContact CG-CD2 4.37Å; F260-L335 HydrophobicContact CD2-CB 4.01Å; F260-L335 HydrophobicContact CD2-CD1 4.24Å; F260-L335 HydrophobicContact CE2-CB 4.07Å; F260-L335 HydrophobicContact CE2-CD1 3.75Å; F260-L335 HydrophobicContact CE2-CG 4.48Å; I332-L335 PolarHBondContact O-N 3.5Å; S333-L335 PolarHBondContact O-N 2.88Å
336R43.6Very low43.7Very low40 Ų4039.8 Ų39.815%0.15120%0.197CC..  trans-156.3123.5176.9-63.6-170.1-171.9176.64.2114F260 S333 S338 Y361F260-R336 VanDerWaalsContact CB-NH2 3.31Å; S333-R336 CarbonylContact O-C 3.41Å; S333-R336 VanDerWaalsContact O-C 3.31Å; S333-R336 PolarHBondContact O-N 3.43Å; R336-S338 PolarHBondContact O-N 2.93Å; R336-Y361 PolarHBondContact NH1-O 2.89Å
337L42.5Very low43.6Very low129 Ų12941.9 Ų41.968%0.67521%0.21SC*.SBendtrans-64.811.2166.6-80.6152.3000115K274K274-L337 PolarHBondContact NZ-O 3.24Å
338S42.7Very low43.8Very low30 Ų3040.7 Ų40.721%0.2120%0.204CC..  trans-121.653.9-155.1-50.60000114Y299 R336Y299-S338 WeakPolarHBondContact OH-CB 3.42Å; R336-S338 PolarHBondContact O-N 2.93Å
339T42.6Very low43.2Very low20 Ų2047 Ų4712%0.12322%0.224CC..  trans-150.8138.5-178.1-72.10000112.2K274 W358K274-T339 WeakPolarHBondContact CE-O 3.38Å; K274-T339 PolarHBondContact NZ-O 2.88Å; T339-W358 HydrophobicContact CG2-CG 4.32Å; T339-W358 HydrophobicContact CG2-CZ2 4.37Å; T339-W358 PolarHBondContact OG1-NE1 3.44Å
340L43.7Very low42.5Very low0 Ų056.5 Ų56.50%026%0.259CS..  trans-122.5117.8166.1-173.482.3000107.5F273 K274 Y277 P359 F400 I418 F419 K420F273-L340 HydrophobicContact CE1-CB 4.48Å; F273-L340 HydrophobicContact CE1-CD2 3.53Å; F273-L340 HydrophobicContact CZ-CD2 3.93Å; K274-L340 HydrophobicContact CG-CD1 4.37Å; Y277-L340 HydrophobicContact CD1-CD1 4.16Å; Y277-L340 HydrophobicContact CD1-CD2 4.15Å; Y277-L340 HydrophobicContact CD2-CD2 4.42Å; Y277-L340 HydrophobicContact CE1-CD2 4.48Å; Y277-L340 HydrophobicContact CG-CD2 4.19Å; L340-P359 WeakPolarHBondContact O-CD 3.42Å; L340-F400 HydrophobicContact CD2-CD1 4.39Å; L340-F400 HydrophobicContact CD2-CD2 4.22Å; L340-F400 HydrophobicContact CD2-CE1 3.98Å; L340-F400 HydrophobicContact CD2-CE2 3.8Å; L340-F400 HydrophobicContact CD2-CZ 3.68Å; L340-F400 HydrophobicContact CG-CZ 4.5Å; L340-I418 HydrophobicContact CD1-CG2 3.77Å; L340-I418 HydrophobicContact CG-CG2 4.37Å; L340-F419 WeakPolarHBondContact CA-O 3.22Å; L340-F419 WeakPolarHBondContact CD1-O 3.46Å; L340-K420 HydrophobicContact CD1-CB 4.18Å; L340-K420 HydrophobicContact CD1-CD 4.29Å; L340-K420 HydrophobicContact CD1-CG 3.65Å
341C46.7Very low42.3Very low0 Ų057.6 Ų57.60%026%0.263CS..EExtended strand (participates in β ladder)trans-113.7139179.2175.70000109.4V356 I418 F419C341-V356 WeakPolarHBondContact SG-CG1 3.39Å; C341-I418 CarbonylContact O-C 3.59Å; C341-I418 WeakPolarHBondContact O-CA 3.3Å; C341-F419 HydrophobicContact CB-CB 4.03Å; C341-F419 PolarHBondContact N-O 3.27Å; C341-F419 VanDerWaalsContact N-O 3.12Å; C341-F419 PolarHBondContact O-N 3.01Å
342S47.7Very low42.6Very low0 Ų054.1 Ų54.10%025%0.245CC..EExtended strand (participates in β ladder)trans-124.8117.3171.9-172.30000109.3Y399 W402 K417S342-Y399 VanDerWaalsContact CB-O 3.29Å; S342-Y399 WeakPolarHBondContact CB-O 2.81Å; S342-Y399 PolarHBondContact OG-O 3.26Å; S342-W402 PolarHBondContact OG-NE1 3.03Å; S342-K417 WeakPolarHBondContact CA-O 2.93Å
343E51.8Low42.3Very low3 Ų352.8 Ų52.81%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-111.3130.7-177.3-77.1168.5-133.600110.7I322 I354 V355 V356 G416 K417I322-E343 WeakPolarHBondContact CA-OE2 3.43Å; I322-E343 VanDerWaalsContact CB-OE2 3.3Å; I322-E343 WeakPolarHBondContact CB-OE2 3.46Å; I322-E343 HydrophobicContact CD1-CB 4.3Å; I322-E343 HydrophobicContact CG1-CB 4.26Å; I322-E343 VanDerWaalsContact CG1-OE2 3.26Å; I322-E343 WeakPolarHBondContact CG1-OE2 3.25Å; I322-E343 HydrophobicContact CG2-CB 4.35Å; I322-E343 WeakPolarHBondContact CG2-OE2 3.27Å; E343-I354 HydrophobicContact CB-CG2 4.21Å; E343-I354 HydrophobicContact CG-CG2 3.94Å; E343-V355 WeakPolarHBondContact CA-O 2.82Å; E343-V356 HydrophobicContact CG-CG2 3.58Å; E343-G416 CarbonylContact O-C 3.44Å; E343-G416 VanDerWaalsContact O-CA 3.22Å; E343-G416 WeakPolarHBondContact O-CA 3.11Å; E343-K417 PolarHBondContact N-O 3.15Å; E343-K417 PolarHBondContact O-N 2.87Å
344V50.1Low42.5Very low0 Ų051 Ų510%023%0.226CC..  trans-131.7117.2-172.81760000111.4L346 C353 Y399 F413 Q415V344-L346 HydrophobicContact CG1-CD2 3.71Å; V344-L346 HydrophobicContact CG1-CG 3.93Å; V344-L346 PolarHBondContact O-N 2.62Å; V344-C353 CarbonylContact C-O 3.52Å; V344-Y399 HydrophobicContact CB-CD1 4.49Å; V344-Y399 HydrophobicContact CB-CE1 4.05Å; V344-Y399 HydrophobicContact CG2-CD1 3.84Å; V344-Y399 HydrophobicContact CG2-CE1 3.9Å; V344-F413 HydrophobicContact CB-CD2 4.5Å; V344-F413 HydrophobicContact CB-CE2 4.43Å; V344-F413 HydrophobicContact CG1-CD2 3.31Å; V344-F413 HydrophobicContact CG1-CE2 3.58Å; V344-F413 HydrophobicContact CG1-CG 4.44Å; V344-F413 HydrophobicContact CG2-CD2 4.39Å; V344-F413 HydrophobicContact CG2-CE2 4.03Å; V344-Q415 WeakPolarHBondContact CG1-O 3.45Å
345P50.3Low43.1Very low2 Ų245 Ų451%0.01320%0.199CC..  trans-68.3114.3163.623.4-36.2000112.6I322 F352 C353 N414 Q415I322-P345 HydrophobicContact CD1-CG 4.4Å; P345-F352 HydrophobicContact CB-CB 4.35Å; P345-F352 HydrophobicContact CB-CD1 3.67Å; P345-F352 HydrophobicContact CB-CE1 4.42Å; P345-F352 HydrophobicContact CB-CG 4.34Å; P345-C353 VanDerWaalsContact CA-O 3.32Å; P345-C353 WeakPolarHBondContact CA-O 3.38Å; P345-N414 WeakPolarHBondContact O-CB 3.19Å; P345-N414 PolarHBondContact O-N 3.18Å; P345-Q415 WeakPolarHBondContact CD-O 3.19Å; P345-Q415 HydrophobicContact CG-CB 3.87Å; P345-Q415 WeakPolarHBondContact CG-O 3.13Å
346L51.2Low43.8Very low0 Ų042.9 Ų42.90%019%0.188CC..EExtended strand (participates in β ladder)trans-106.2129178.3-65.9171.8000113.2V344 F352 C353 V355 F406 V409 K411V344-L346 HydrophobicContact CG1-CD2 3.71Å; V344-L346 HydrophobicContact CG1-CG 3.93Å; V344-L346 PolarHBondContact O-N 2.62Å; L346-F352 VanDerWaalsContact O-CA 3.28Å; L346-F352 WeakPolarHBondContact O-CA 3.05Å; L346-C353 HydrophobicContact CB-CB 4.18Å; L346-C353 PolarHBondContact N-O 2.86Å; L346-C353 VanDerWaalsContact N-O 3.12Å; L346-C353 PolarHBondContact O-N 2.99Å; L346-V355 HydrophobicContact CD1-CG2 4.48Å; L346-F406 HydrophobicContact CD2-CB 4.35Å; L346-F406 HydrophobicContact CD2-CD1 4.25Å; L346-F406 HydrophobicContact CD2-CG 4.13Å; L346-V409 HydrophobicContact CD1-CB 3.62Å; L346-V409 HydrophobicContact CD1-CG1 3.6Å; L346-V409 HydrophobicContact CD1-CG2 3.57Å; L346-K411 HydrophobicContact CB-CB 3.59Å; L346-K411 HydrophobicContact CB-CD 3.9Å; L346-K411 HydrophobicContact CB-CG 4.33Å; L346-K411 HydrophobicContact CD1-CB 4.48Å; L346-K411 HydrophobicContact CG-CB 4.44Å
347V45.1Very low44.2Very low56 Ų5641 Ų4134%0.33918%0.181SC..EExtended strand (participates in β ladder)trans-88.9127.9-172.9179.30000112.8W351 F352 K411 A412 N414V347-W351 WeakPolarHBondContact CA-O 3.37Å; V347-F352 HydrophobicContact CG2-CD1 3.97Å; V347-F352 HydrophobicContact CG2-CE1 3.45Å; V347-F352 VanDerWaalsContact CG2-CE1 3.45Å; V347-F352 HydrophobicContact CG2-CZ 4.13Å; V347-K411 WeakPolarHBondContact O-CB 3.27Å; V347-A412 PolarHBondContact N-O 2.73Å; V347-N414 HydrophobicContact CG2-CB 4.1Å
348H43Very low44.9Very low87 Ų8736.3 Ų36.340%0.40316%0.155SC..BIsolated β-bridgetrans-144.6123.4165.1-162.984.5000112.1R350 W351 K411H348-R350 PolarHBondContact O-N 3.28Å; H348-W351 PolarHBondContact N-O 3.37Å; H348-W351 PolarHBondContact O-N 2.89Å; H348-K411 HydrophobicContact CB-CD 3.67Å; H348-K411 HydrophobicContact CB-CG 3.78Å
349R36.2Very low45.3Very low214 Ų21435 Ų3581%0.80815%0.145SC*.THydrogen-bonded Turntrans42.637.1171.6-67.4-173.4173.7-151.60.5115.3
350R31.5Very low45.9Very low218 Ų21835.2 Ų35.282%0.82315%0.145SC*.THydrogen-bonded Turntrans9316.2-180-53.5172.8174179.4-2.5117.9H348H348-R350 PolarHBondContact O-N 3.28Å
351W31.2Very low46.2Very low88 Ų8836.8 Ų36.833%0.33315%0.151SC..BIsolated β-bridgetrans-130.4154.8-178.7-50.4113.1000113P309 E310 L312 T313 V347 H348P309-W351 HydrophobicContact CB-CB 4.35Å; P309-W351 WeakPolarHBondContact O-CB 3.27Å; E310-W351 HydrophobicContact CB-CD2 4.25Å; E310-W351 HydrophobicContact CB-CE3 4.23Å; E310-W351 HydrophobicContact CB-CH2 3.83Å; E310-W351 HydrophobicContact CB-CZ2 3.92Å; E310-W351 HydrophobicContact CB-CZ3 4.01Å; E310-W351 WeakPolarHBondContact O-CH2 3.46Å; E310-W351 WeakPolarHBondContact O-CZ3 3.43Å; L312-W351 WeakPolarHBondContact O-CA 3.11Å; T313-W351 HydrophobicContact CG2-CE3 3.98Å; T313-W351 HydrophobicContact CG2-CH2 3.98Å; T313-W351 HydrophobicContact CG2-CZ3 3.22Å; V347-W351 WeakPolarHBondContact CA-O 3.37Å; H348-W351 PolarHBondContact N-O 3.37Å; H348-W351 PolarHBondContact O-N 2.89Å
352F36.5Very low46.5Very low13 Ų1338 Ų386%0.05716%0.158CC..  trans-109.4156.4174.1-61.5-86.8000112.2P309 L312 T315 S318 P345 L346 V347P309-F352 WeakPolarHBondContact CA-O 3.36Å; P309-F352 WeakPolarHBondContact CB-O 3.24Å; L312-F352 HydrophobicContact CB-CB 3.93Å; L312-F352 HydrophobicContact CB-CD2 4.4Å; L312-F352 HydrophobicContact CD1-CB 4.26Å; L312-F352 VanDerWaalsContact O-CD2 3.24Å; L312-F352 WeakPolarHBondContact O-CD2 3.34Å; L312-F352 PolarHBondContact O-N 3.33Å; T315-F352 HydrophobicContact CG2-CE1 3.99Å; T315-F352 HydrophobicContact CG2-CZ 4.1Å; T315-F352 WeakPolarHBondContact OG1-CZ 3.36Å; S318-F352 WeakPolarHBondContact OG-CB 3.44Å; S318-F352 WeakPolarHBondContact OG-CD2 3.1Å; S318-F352 WeakPolarHBondContact OG-CG 3.36Å; P345-F352 HydrophobicContact CB-CB 4.35Å; P345-F352 HydrophobicContact CB-CD1 3.67Å; P345-F352 HydrophobicContact CB-CE1 4.42Å; P345-F352 HydrophobicContact CB-CG 4.34Å; L346-F352 VanDerWaalsContact O-CA 3.28Å; L346-F352 WeakPolarHBondContact O-CA 3.05Å; V347-F352 HydrophobicContact CG2-CD1 3.97Å; V347-F352 HydrophobicContact CG2-CE1 3.45Å; V347-F352 VanDerWaalsContact CG2-CE1 3.45Å; V347-F352 HydrophobicContact CG2-CZ 4.13Å
353C35.3Very low46.5Very low0 Ų043.9 Ų43.90%018%0.183CC..  trans-129.3135.4175.1-163.20000107.8Q305 V344 P345 L346 K411Q305-C353 WeakPolarHBondContact CG-SG 3.19Å; Q305-C353 PolarHBondContact NE2-SG 2.86Å; V344-C353 CarbonylContact C-O 3.52Å; P345-C353 VanDerWaalsContact CA-O 3.32Å; P345-C353 WeakPolarHBondContact CA-O 3.38Å; L346-C353 HydrophobicContact CB-CB 4.18Å; L346-C353 PolarHBondContact N-O 2.86Å; L346-C353 VanDerWaalsContact N-O 3.12Å; L346-C353 PolarHBondContact O-N 2.99Å; C353-K411 HydrophobicContact CB-CD 4.28Å
354I47.2Very low46.2Very low1 Ų151.4 Ų51.41%0.00522%0.219CC..  trans-94.8132.6169.6-58.4171.5000106.7Q305 Y306 L321 I322 E343 V356 Y380Q305-I354 WeakPolarHBondContact CA-O 3.29Å; Y306-I354 PolarHBondContact N-O 2.95Å; L321-I354 HydrophobicContact CB-CD1 4.22Å; L321-I354 HydrophobicContact CD2-CD1 3.76Å; L321-I354 HydrophobicContact CG-CD1 4.06Å; I322-I354 HydrophobicContact CD1-CD1 4.45Å; I322-I354 HydrophobicContact CD1-CG1 4.1Å; I322-I354 HydrophobicContact CG1-CD1 3.6Å; I322-I354 HydrophobicContact CG1-CG1 3.75Å; I322-I354 HydrophobicContact CG1-CG2 4.16Å; E343-I354 HydrophobicContact CB-CG2 4.21Å; E343-I354 HydrophobicContact CG-CG2 3.94Å; I354-V356 HydrophobicContact CG2-CG2 4.47Å; I354-Y380 HydrophobicContact CB-CE1 4.19Å; I354-Y380 HydrophobicContact CG2-CE1 4.21Å
355V49.1Very low45.8Very low0 Ų057 Ų570%025%0.253CS..EExtended strand (participates in β ladder)trans-131129.9170.4169.90000110Y303 A304 Q305 E343 L346 Y399Y303-V355 HydrophobicContact CD2-CG1 3.3Å; Y303-V355 HydrophobicContact CE2-CB 4.06Å; Y303-V355 HydrophobicContact CE2-CG1 3.08Å; Y303-V355 HydrophobicContact CE2-CG2 3.78Å; Y303-V355 HydrophobicContact CG-CG1 4.43Å; A304-V355 WeakPolarHBondContact O-CA 3.34Å; Q305-V355 HydrophobicContact CG-CG2 4.48Å; E343-V355 WeakPolarHBondContact CA-O 2.82Å; L346-V355 HydrophobicContact CD1-CG2 4.48Å; V355-Y399 HydrophobicContact CB-CE1 3.51Å; V355-Y399 VanDerWaalsContact CB-OH 3.28Å; V355-Y399 WeakPolarHBondContact CB-OH 3.39Å; V355-Y399 HydrophobicContact CG1-CD1 4.23Å; V355-Y399 HydrophobicContact CG1-CE1 3.3Å; V355-Y399 HydrophobicContact CG1-CE2 4.31Å; V355-Y399 WeakPolarHBondContact CG1-OH 3.23Å; V355-Y399 WeakPolarHBondContact O-CE1 3.15Å
356V51.8Low45.7Very low0 Ų058.5 Ų58.50%027%0.269CS..EExtended strand (participates in β ladder)trans-108.1133.6179.5168.70000109.6Y303 A304 C341 E343 I354 W358Y303-V356 VanDerWaalsContact CA-O 3.23Å; Y303-V356 WeakPolarHBondContact CA-O 3.39Å; A304-V356 HydrophobicContact CB-CB 3.8Å; A304-V356 HydrophobicContact CB-CG2 4.22Å; A304-V356 PolarHBondContact N-O 2.96Å; A304-V356 VanDerWaalsContact N-O 3.08Å; A304-V356 PolarHBondContact O-N 2.71Å; C341-V356 WeakPolarHBondContact SG-CG1 3.39Å; E343-V356 HydrophobicContact CG-CG2 3.58Å; I354-V356 HydrophobicContact CG2-CG2 4.47Å; V356-W358 HydrophobicContact CG1-CB 3.86Å
357V51.7Low45.7Very low1 Ų160.9 Ų60.91%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-112114.8163.2179.50000109.2I301 W302 V396 Y399I301-V357 HydrophobicContact CG2-CG1 3.58Å; W302-V357 CarbonylContact O-C 3.48Å; W302-V357 VanDerWaalsContact O-CA 3.24Å; W302-V357 WeakPolarHBondContact O-CA 2.96Å; V357-V396 HydrophobicContact CG1-CG2 3.83Å; V357-Y399 HydrophobicContact CG2-CD1 4.13Å; V357-Y399 HydrophobicContact CG2-CD2 4.09Å; V357-Y399 HydrophobicContact CG2-CG 3.76Å
358W57Low45.6Very low30 Ų3069 Ų6911%0.11431%0.305CS..EExtended strand (participates in β ladder)trans-126.9115.4-166.5-171.12.3000113I301 W302 T339 V356 I360 W382I301-W358 CarbonylContact C-O 3.5Å; I301-W358 VanDerWaalsContact CA-O 3.27Å; I301-W358 WeakPolarHBondContact CA-O 3.24Å; W302-W358 HydrophobicContact CB-CB 4.42Å; W302-W358 PolarHBondContact N-O 3.22Å; W302-W358 PolarHBondContact O-N 3.08Å; T339-W358 HydrophobicContact CG2-CG 4.32Å; T339-W358 HydrophobicContact CG2-CZ2 4.37Å; T339-W358 PolarHBondContact OG1-NE1 3.44Å; V356-W358 HydrophobicContact CG1-CB 3.86Å; W358-I360 HydrophobicContact CB-CG1 4.26Å; W358-I360 HydrophobicContact CD2-CD1 3.6Å; W358-I360 HydrophobicContact CD2-CG1 3.43Å; W358-I360 VanDerWaalsContact CD2-CG1 3.43Å; W358-I360 HydrophobicContact CE3-CD1 3.6Å; W358-I360 HydrophobicContact CE3-CG1 4Å; W358-I360 HydrophobicContact CG-CD1 4.06Å; W358-I360 HydrophobicContact CG-CG1 3.5Å; W358-I360 VanDerWaalsContact CG-CG1 3.5Å; W358-I360 HydrophobicContact CZ2-CD1 4.49Å; W358-I360 HydrophobicContact CZ2-CG1 4.34Å; W358-I360 HydrophobicContact CZ3-CD1 4.07Å; W358-I360 PolarHBondContact O-N 3.18Å; W358-W382 HydrophobicContact CE3-CH2 4.12Å; W358-W382 AromaticContact CE3-CZ3 3.78Å; W358-W382 HydrophobicContact CE3-CZ3 3.78Å; W358-W382 HydrophobicContact CZ3-CH2 4.03Å; W358-W382 HydrophobicContact CZ3-CZ3 4.08Å
359P50.8Low45.6Very low1 Ų169.4 Ų69.41%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-77.7103.1164.129.4-28000110.8M270 F294 Y299 S300 L340M270-P359 HydrophobicContact CE-CB 4.09Å; M270-P359 HydrophobicContact CE-CG 3.82Å; F294-P359 HydrophobicContact CE2-CB 4.22Å; Y299-P359 HydrophobicContact CD1-CB 4.22Å; S300-P359 CarbonylContact O-C 3.55Å; S300-P359 WeakPolarHBondContact O-CA 3.29Å; L340-P359 WeakPolarHBondContact O-CD 3.42Å
360I55.7Low46Very low26 Ų2659.9 Ų59.913%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-99.5129.2179.7-56.4-179.2000110.5Y299 S300 W302 W358 L362Y299-I360 CarbonylContact C-O 3.06Å; Y299-I360 VanDerWaalsContact CA-O 3.3Å; Y299-I360 WeakPolarHBondContact CA-O 3.09Å; S300-I360 PolarHBondContact N-O 2.47Å; S300-I360 PolarHBondContact O-N 3.49Å; S300-I360 PolarHBondContact OG-O 3.26Å; W302-I360 HydrophobicContact CB-CD1 4.41Å; W302-I360 VanDerWaalsContact CD1-CD1 3.45Å; W302-I360 HydrophobicContact CD2-CD1 4.5Å; W302-I360 HydrophobicContact CG-CD1 3.89Å; W358-I360 HydrophobicContact CB-CG1 4.26Å; W358-I360 HydrophobicContact CD2-CD1 3.6Å; W358-I360 HydrophobicContact CD2-CG1 3.43Å; W358-I360 VanDerWaalsContact CD2-CG1 3.43Å; W358-I360 HydrophobicContact CE3-CD1 3.6Å; W358-I360 HydrophobicContact CE3-CG1 4Å; W358-I360 HydrophobicContact CG-CD1 4.06Å; W358-I360 HydrophobicContact CG-CG1 3.5Å; W358-I360 VanDerWaalsContact CG-CG1 3.5Å; W358-I360 HydrophobicContact CZ2-CD1 4.49Å; W358-I360 HydrophobicContact CZ2-CG1 4.34Å; W358-I360 HydrophobicContact CZ3-CD1 4.07Å; W358-I360 PolarHBondContact O-N 3.18Å; I360-L362 HydrophobicContact CG2-CB 4.31Å; I360-L362 PolarHBondContact O-N 3.37Å
361Y51.3Low46.7Very low32 Ų3254.3 Ų54.313%0.12527%0.267CS..SBendtrans-72.955.4176.3-171.2-108.7000114.1L263 P264 S266 G298 Y299 R336L263-Y361 HydrophobicContact CB-CE1 4.06Å; L263-Y361 HydrophobicContact CD1-CD1 4.41Å; L263-Y361 HydrophobicContact CD1-CE1 4.46Å; P264-Y361 WeakPolarHBondContact O-CE1 3.44Å; P264-Y361 VanDerWaalsContact O-CZ 3.24Å; P264-Y361 PolarHBondContact O-OH 2.95Å; S266-Y361 PolarHBondContact N-OH 3.48Å; G298-Y361 CarbonylContact O-C 3.5Å; G298-Y361 VanDerWaalsContact O-C 3.3Å; G298-Y361 VanDerWaalsContact O-CA 3.22Å; G298-Y361 WeakPolarHBondContact O-CA 3.45Å; G298-Y361 WeakPolarHBondContact O-CD2 3.49Å; G298-Y361 WeakPolarHBondContact O-CE2 3.35Å; Y299-Y361 HydrophobicContact CD1-CD2 4.36Å; Y299-Y361 AromaticContact CD2-CD2 3.91Å; Y299-Y361 HydrophobicContact CD2-CD2 3.91Å; Y299-Y361 HydrophobicContact CD2-CE2 4.49Å; Y299-Y361 HydrophobicContact CE1-CD2 4.14Å; Y299-Y361 HydrophobicContact CE1-CG 4.49Å; Y299-Y361 AromaticContact CE2-CD2 3.66Å; Y299-Y361 HydrophobicContact CE2-CD2 3.66Å; Y299-Y361 HydrophobicContact CE2-CE2 4.24Å; Y299-Y361 HydrophobicContact CG-CD2 4.26Å; Y299-Y361 AromaticContact CZ-CD2 3.81Å; R336-Y361 PolarHBondContact NH1-O 2.89Å
362L52.5Low47.3Very low27 Ų2754.3 Ų54.314%0.14127%0.274CS..  trans-163.7129.5178.2-101.5154.1000110.5F260 L263 G298 S300 I360 L369F260-L362 HydrophobicContact CD1-CD1 4.49Å; F260-L362 HydrophobicContact CE1-CD1 4.28Å; L263-L362 HydrophobicContact CD1-CD1 4.19Å; L263-L362 HydrophobicContact CD1-CD2 3.84Å; L263-L362 HydrophobicContact CD1-CG 3.77Å; L263-L362 HydrophobicContact CD2-CD2 4.09Å; G298-L362 PolarHBondContact O-N 3.19Å; S300-L362 PolarHBondContact OG-O 2.81Å; S300-L362 VanDerWaalsContact OG-O 3.13Å; I360-L362 HydrophobicContact CG2-CB 4.31Å; I360-L362 PolarHBondContact O-N 3.37Å; L362-L369 HydrophobicContact CD1-CD1 4.28Å
363K46.8Very low47.7Very low122 Ų12255.9 Ų55.953%0.5328%0.279SS..SBendtrans-79-27.9175.5-99.4-178178.1171.50113.8R296 K384R296-K363 WeakPolarHBondContact O-CE 3.33Å; K363-K384 PolarHBondContact O-NZ 3.43Å
364Q45.7Very low48.4Very low162 Ų16260.8 Ų60.876%0.75730%0.302SS*.SBendtrans-91.5138.9-177.1-82-178.7-7.600112.4
365T43Very low48.4Very low116 Ų11665.5 Ų65.571%0.71233%0.326SS*.  trans-21.7140.3-178.343.10000117
366G47.2Very low48.5Very low34 Ų3468.8 Ų68.835%0.35134%0.344SS..SBendtrans-46.6148.3166.300000112.6
367Q51.2Low48.8Very low50 Ų5071.8 Ų71.823%0.23436%0.356CS..SBendtrans60.996.9159.6-56-165.2-55.100117.5Y377Q367-Y377 VanDerWaalsContact CD-CD2 3.48Å; Q367-Y377 HydrophobicContact CG-CD1 4.09Å; Q367-Y377 HydrophobicContact CG-CD2 3.7Å; Q367-Y377 HydrophobicContact CG-CE1 3.94Å; Q367-Y377 HydrophobicContact CG-CE2 3.53Å; Q367-Y377 HydrophobicContact CG-CG 3.98Å
368R43.8Very low49.4Very low228 Ų22878.9 Ų78.986%0.8639%0.389SS*.SBendtrans178.88.2141.2-100.7167.3-165.1-1264.9111.9
369L43Very low49.6Very low95 Ų9578.7 Ų78.750%0.49739%0.392SS..SBendtrans-89.6-16.4-173.6-66.4165.4000113.1F260 L362F260-L369 HydrophobicContact CE1-CB 3.85Å; F260-L369 HydrophobicContact CE1-CD1 3.93Å; F260-L369 HydrophobicContact CE1-CG 4.42Å; F260-L369 HydrophobicContact CZ-CB 4.12Å; L362-L369 HydrophobicContact CD1-CD1 4.28Å
370C43Very low50.3Low13 Ų1379 Ų799%0.08839%0.393CS..  trans-149.9131173.9-169.90000110.9D372 W373C370-D372 PolarHBondContact O-N 3.14Å; C370-D372 PolarHBondContact SG-N 3.4Å; C370-W373 HydrophobicContact CB-CB 4.3Å; C370-W373 VanDerWaalsContact CB-CD1 3.47Å; C370-W373 HydrophobicContact CB-CD2 4.44Å; C370-W373 HydrophobicContact CB-CG 3.81Å; C370-W373 WeakPolarHBondContact O-CB 3.48Å; C370-W373 PolarHBondContact O-N 3.22Å; C370-W373 VanDerWaalsContact O-N 3.08Å
371P46.5Very low50.9Low102 Ų10282 Ų8266%0.66241%0.41SS*.G310 helixtrans-56.4-31.2170.8-24.534.7000113.1W373 Q374P371-W373 PolarHBondContact O-N 2.83Å; P371-Q374 PolarHBondContact O-N 3.06Å
372D44.2Very low51.6Low87 Ų8782.8 Ų82.847%0.46541%0.412SS..G310 helixtrans-70.4-17.4177.9-52-31.6000112.6C370 Q374C370-D372 PolarHBondContact O-N 3.14Å; C370-D372 PolarHBondContact SG-N 3.4Å; D372-Q374 VanDerWaalsContact C-N 3.27Å; D372-Q374 PolarHBondContact O-N 2.96Å
373W45.9Very low52.6Low46 Ų4686.1 Ų86.117%0.17442%0.423CS..G310 helixtrans-82.40.3176-71.925.6000113.5F260 I332 C370 P371F260-W373 HydrophobicContact CE1-CH2 4.45Å; F260-W373 HydrophobicContact CE1-CZ2 4.46Å; F260-W373 HydrophobicContact CE2-CH2 4.47Å; F260-W373 AromaticContact CE2-CZ2 3.76Å; F260-W373 HydrophobicContact CE2-CZ2 3.76Å; F260-W373 AromaticContact CZ-CH2 3.85Å; F260-W373 HydrophobicContact CZ-CH2 3.85Å; F260-W373 AromaticContact CZ-CZ2 3.48Å; F260-W373 HydrophobicContact CZ-CZ2 3.48Å; F260-W373 VanDerWaalsContact CZ-CZ2 3.48Å; I332-W373 HydrophobicContact CD1-CG 4.25Å; I332-W373 HydrophobicContact CG1-CG 4.4Å; I332-W373 HydrophobicContact CG2-CD2 4.39Å; I332-W373 HydrophobicContact CG2-CZ2 4Å; C370-W373 HydrophobicContact CB-CB 4.3Å; C370-W373 VanDerWaalsContact CB-CD1 3.47Å; C370-W373 HydrophobicContact CB-CD2 4.44Å; C370-W373 HydrophobicContact CB-CG 3.81Å; C370-W373 WeakPolarHBondContact O-CB 3.48Å; C370-W373 PolarHBondContact O-N 3.22Å; C370-W373 VanDerWaalsContact O-N 3.08Å; P371-W373 PolarHBondContact O-N 2.83Å
374Q49.6Very low53.9Low103 Ų10384.9 Ų84.948%0.48142%0.418SS..G310 helixtrans-100.4-9.7-176.3-65.2-175.4-15.900113.4P371 D372 D376P371-Q374 PolarHBondContact O-N 3.06Å; D372-Q374 VanDerWaalsContact C-N 3.27Å; D372-Q374 PolarHBondContact O-N 2.96Å; Q374-D376 PolarHBondContact O-N 3.28Å
375I45.8Very low55.3Low100 Ų10077.5 Ų77.551%0.51338%0.383SS..THydrogen-bonded Turntrans-71.9127.4177.3-53.8177.2000107.6Y377I375-Y377 PolarHBondContact O-N 3.33Å
376D51.9Low57.2Low69 Ų6976.3 Ų76.337%0.36937%0.373SS..THydrogen-bonded Turntrans62.5-10.9179.4-62.7-17.1000118.5Q328 Q374 E378 S379 Y380Q328-D376 PolarHBondContact OE1-OD2 3.06Å; Q328-D376 VanDerWaalsContact OE1-OD2 3.06Å; Q374-D376 PolarHBondContact O-N 3.28Å; D376-E378 PolarHBondContact O-N 3.43Å; D376-E378 VanDerWaalsContact O-N 3.17Å; D376-S379 WeakPolarHBondContact O-CA 3.2Å; D376-S379 WeakPolarHBondContact O-CB 3.33Å; D376-S379 PolarHBondContact O-N 3.26Å; D376-S379 PolarHBondContact O-OG 2.87Å; D376-Y380 VanDerWaalsContact O-CD2 3.32Å; D376-Y380 WeakPolarHBondContact O-CD2 3.35Å
377Y57.7Low58.9Low63 Ų6375.8 Ų75.825%0.24736%0.363CS..G310 helixtrans-54.3-39.4175.5178.7-80.3000113.2Q367 I375 S379 Y380 W382Q367-Y377 VanDerWaalsContact CD-CD2 3.48Å; Q367-Y377 HydrophobicContact CG-CD1 4.09Å; Q367-Y377 HydrophobicContact CG-CD2 3.7Å; Q367-Y377 HydrophobicContact CG-CE1 3.94Å; Q367-Y377 HydrophobicContact CG-CE2 3.53Å; Q367-Y377 HydrophobicContact CG-CG 3.98Å; I375-Y377 PolarHBondContact O-N 3.33Å; Y377-S379 PolarHBondContact O-N 3.27Å; Y377-S379 VanDerWaalsContact O-N 3.14Å; Y377-Y380 PolarHBondContact O-N 2.88Å; Y377-W382 AromaticContact CD1-CD1 3.99Å; Y377-W382 AromaticContact CD1-NE1 3.86Å; Y377-W382 AromaticContact CD2-CD1 3.72Å; Y377-W382 HydrophobicContact CD2-CD2 4.19Å; Y377-W382 AromaticContact CD2-CE2 3.54Å; Y377-W382 HydrophobicContact CD2-CG 4.28Å; Y377-W382 HydrophobicContact CD2-CZ2 4.02Å; Y377-W382 AromaticContact CD2-NE1 3.19Å; Y377-W382 AromaticContact CE1-CD1 3.62Å; Y377-W382 HydrophobicContact CE1-CG 4.45Å; Y377-W382 AromaticContact CE1-NE1 3.96Å; Y377-W382 HydrophobicContact CE2-CB 4.43Å; Y377-W382 AromaticContact CE2-CD1 3.33Å; Y377-W382 AromaticContact CE2-CD2 3.78Å; Y377-W382 HydrophobicContact CE2-CD2 3.78Å; Y377-W382 AromaticContact CE2-CE2 3.64Å; Y377-W382 AromaticContact CE2-CG 3.61Å; Y377-W382 HydrophobicContact CE2-CG 3.61Å; Y377-W382 HydrophobicContact CE2-CZ2 4.43Å; Y377-W382 AromaticContact CE2-NE1 3.31Å; Y377-W382 VanDerWaalsContact CE2-NE1 3.31Å; Y377-W382 AromaticContact CG-NE1 3.49Å; Y377-W382 AromaticContact CZ-CD1 3.29Å; Y377-W382 AromaticContact CZ-CG 3.73Å; Y377-W382 AromaticContact CZ-NE1 3.72Å; Y377-W382 PolarHBondContact O-NE1 3.13Å
378E64.1Low60.5Low150 Ų15078.7 Ų78.770%0.70138%0.377SS*.G310 helixtrans-62.4-20.2179.9-66.4-170.4167.700112.4K307 D376 Y380K307-E378 WeakPolarHBondContact CD-O 3.15Å; K307-E378 PolarHBondContact NZ-O 2.98Å; D376-E378 PolarHBondContact O-N 3.43Å; D376-E378 VanDerWaalsContact O-N 3.17Å; E378-Y380 VanDerWaalsContact C-N 3.27Å; E378-Y380 PolarHBondContact O-N 3.24Å
379S62.7Low62.6Low26 Ų2669.3 Ų69.318%0.18235%0.346CS..G310 helixtrans-80.2-3.1177.5-49.70000113.6Y306 K307 D376 Y377Y306-S379 VanDerWaalsContact CD2-O 3.32Å; Y306-S379 WeakPolarHBondContact CD2-O 3.31Å; K307-S379 WeakPolarHBondContact CB-O 3.33Å; K307-S379 WeakPolarHBondContact CG-O 3.43Å; K307-S379 PolarHBondContact N-O 2.7Å; D376-S379 WeakPolarHBondContact O-CA 3.2Å; D376-S379 WeakPolarHBondContact O-CB 3.33Å; D376-S379 PolarHBondContact O-N 3.26Å; D376-S379 PolarHBondContact O-OG 2.87Å; Y377-S379 PolarHBondContact O-N 3.27Å; Y377-S379 VanDerWaalsContact O-N 3.14Å
380Y65.6Low64.6Low7 Ų771 Ų713%0.02735%0.351CS..EExtended strand (participates in β ladder)trans-125.9147.4-179.4-63.6-105.6000112.3A304 Q305 Y306 K307 E325 I354 D376 Y377 E378A304-Y380 HydrophobicContact CB-CD1 4.37Å; Q305-Y380 CarbonylContact O-C 3.54Å; Q305-Y380 VanDerWaalsContact O-CA 3.27Å; Q305-Y380 WeakPolarHBondContact O-CA 3.45Å; Y306-Y380 HydrophobicContact CD2-CD1 4.2Å; Y306-Y380 HydrophobicContact CD2-CD2 4.2Å; Y306-Y380 AromaticContact CD2-CE1 3.8Å; Y306-Y380 HydrophobicContact CD2-CE1 3.8Å; Y306-Y380 AromaticContact CD2-CE2 3.77Å; Y306-Y380 HydrophobicContact CD2-CE2 3.77Å; Y306-Y380 HydrophobicContact CD2-CG 4.38Å; Y306-Y380 AromaticContact CD2-CZ 3.55Å; Y306-Y380 HydrophobicContact CE2-CE2 4.24Å; Y306-Y380 HydrophobicContact CG-CE1 4.25Å; K307-Y380 VanDerWaalsContact CE-C 3.49Å; K307-Y380 VanDerWaalsContact CE-O 3.25Å; K307-Y380 WeakPolarHBondContact CE-O 3.38Å; K307-Y380 PolarHBondContact NZ-O 3.23Å; E325-Y380 WeakPolarHBondContact OE1-CE1 3.05Å; E325-Y380 PolarHBondContact OE1-OH 2.78Å; E325-Y380 PolarHBondContact OE2-OH 3.5Å; I354-Y380 HydrophobicContact CB-CE1 4.19Å; I354-Y380 HydrophobicContact CG2-CE1 4.21Å; D376-Y380 VanDerWaalsContact O-CD2 3.32Å; D376-Y380 WeakPolarHBondContact O-CD2 3.35Å; Y377-Y380 PolarHBondContact O-N 2.88Å; E378-Y380 VanDerWaalsContact C-N 3.27Å; E378-Y380 PolarHBondContact O-N 3.24Å
381D67.3Low66.5Low91 Ų9174.5 Ų74.549%0.48737%0.367SS..EExtended strand (participates in β ladder)trans-90.8119.5167.4-77.1-39.4000109.6A304 Q305 K307A304-D381 CarbonylContact C-O 3.59Å; A304-D381 VanDerWaalsContact CA-O 3.29Å; A304-D381 WeakPolarHBondContact CA-O 3.45Å; Q305-D381 PolarHBondContact N-O 3.18Å; Q305-D381 PolarHBondContact O-N 2.88Å; K307-D381 VanDerWaalsContact CE-CG 3.5Å; K307-D381 WeakPolarHBondContact CE-OD1 3.22Å; K307-D381 IonicContact NZ-OD1 3.77Å
382W67Low68.1Low47 Ų4769.7 Ų69.718%0.17834%0.335CS..EExtended strand (participates in β ladder)trans-107.6130.6-176.1-62.484.6000111.4W302 Y303 A304 W358 Y377W302-W382 HydrophobicContact CE3-CB 4.43Å; Y303-W382 CarbonylContact O-C 3.56Å; Y303-W382 WeakPolarHBondContact O-CA 3.28Å; A304-W382 HydrophobicContact CB-CD2 3.81Å; A304-W382 HydrophobicContact CB-CE3 3.49Å; A304-W382 VanDerWaalsContact CB-CE3 3.49Å; A304-W382 HydrophobicContact CB-CH2 3.67Å; A304-W382 HydrophobicContact CB-CZ2 3.97Å; A304-W382 HydrophobicContact CB-CZ3 3.41Å; A304-W382 VanDerWaalsContact CB-CZ3 3.41Å; W358-W382 HydrophobicContact CE3-CH2 4.12Å; W358-W382 AromaticContact CE3-CZ3 3.78Å; W358-W382 HydrophobicContact CE3-CZ3 3.78Å; W358-W382 HydrophobicContact CZ3-CH2 4.03Å; W358-W382 HydrophobicContact CZ3-CZ3 4.08Å; Y377-W382 AromaticContact CD1-CD1 3.99Å; Y377-W382 AromaticContact CD1-NE1 3.86Å; Y377-W382 AromaticContact CD2-CD1 3.72Å; Y377-W382 HydrophobicContact CD2-CD2 4.19Å; Y377-W382 AromaticContact CD2-CE2 3.54Å; Y377-W382 HydrophobicContact CD2-CG 4.28Å; Y377-W382 HydrophobicContact CD2-CZ2 4.02Å; Y377-W382 AromaticContact CD2-NE1 3.19Å; Y377-W382 AromaticContact CE1-CD1 3.62Å; Y377-W382 HydrophobicContact CE1-CG 4.45Å; Y377-W382 AromaticContact CE1-NE1 3.96Å; Y377-W382 HydrophobicContact CE2-CB 4.43Å; Y377-W382 AromaticContact CE2-CD1 3.33Å; Y377-W382 AromaticContact CE2-CD2 3.78Å; Y377-W382 HydrophobicContact CE2-CD2 3.78Å; Y377-W382 AromaticContact CE2-CE2 3.64Å; Y377-W382 AromaticContact CE2-CG 3.61Å; Y377-W382 HydrophobicContact CE2-CG 3.61Å; Y377-W382 HydrophobicContact CE2-CZ2 4.43Å; Y377-W382 AromaticContact CE2-NE1 3.31Å; Y377-W382 VanDerWaalsContact CE2-NE1 3.31Å; Y377-W382 AromaticContact CG-NE1 3.49Å; Y377-W382 AromaticContact CZ-CD1 3.29Å; Y377-W382 AromaticContact CZ-CG 3.73Å; Y377-W382 AromaticContact CZ-NE1 3.72Å; Y377-W382 PolarHBondContact O-NE1 3.13Å
383R73.7Confident70.1Confident98 Ų9869.2 Ų69.237%0.3733%0.329SS..EExtended strand (participates in β ladder)trans-132.3122.3177.7-176.6177.867.8153.51.4110.3Y303 L385 E391Y303-R383 HydrophobicContact CD1-CB 4.29Å; Y303-R383 PolarHBondContact N-O 2.9Å; Y303-R383 PolarHBondContact O-N 3.35Å; R383-L385 PolarHBondContact O-N 2.79Å; R383-E391 IonicContact CZ-OE1 3.21Å; R383-E391 IonicContact NH1-OE1 2.81Å; R383-E391 PolarHBondContact NH1-OE1 3.21Å; R383-E391 IonicContact NH1-OE2 3.53Å; R383-E391 IonicContact NH2-OE1 3.79Å; R383-E391 PolarHBondContact NH2-OE1 2.84Å
384K74Confident71.9Confident95 Ų9570.1 Ų70.141%0.41334%0.339SS..EExtended strand (participates in β ladder)trans-69.7128.2169.6-168.7175.3-178.6173.90109.3W302 K363W302-K384 HydrophobicContact CD2-CB 4Å; W302-K384 HydrophobicContact CD2-CG 4.27Å; W302-K384 HydrophobicContact CE3-CB 3.89Å; W302-K384 HydrophobicContact CH2-CB 3.82Å; W302-K384 HydrophobicContact CH2-CD 4.33Å; W302-K384 HydrophobicContact CH2-CG 4.39Å; W302-K384 HydrophobicContact CZ2-CB 3.92Å; W302-K384 HydrophobicContact CZ2-CD 3.85Å; W302-K384 HydrophobicContact CZ2-CG 3.99Å; W302-K384 HydrophobicContact CZ3-CB 3.8Å; K363-K384 PolarHBondContact O-NZ 3.43Å
385L75.1Confident73.2Confident7 Ų765.2 Ų65.24%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-91.8145.3175.9-59.2-177.4000110.2I301 R383 P387 C392 M395I301-L385 HydrophobicContact CB-CB 4.4Å; I301-L385 HydrophobicContact CG2-CB 4.33Å; I301-L385 HydrophobicContact CG2-CD1 4.08Å; I301-L385 PolarHBondContact O-N 3.14Å; R383-L385 PolarHBondContact O-N 2.79Å; L385-P387 WeakPolarHBondContact O-CD 3.24Å; L385-C392 HydrophobicContact CB-CB 3.99Å; L385-C392 HydrophobicContact CD1-CB 4.4Å; L385-M395 HydrophobicContact CD1-CB 4.47Å; L385-M395 HydrophobicContact CD1-CE 4.08Å; L385-M395 HydrophobicContact CD1-SD 4.03Å; L385-M395 HydrophobicContact CD2-SD 4.23Å
386D82.8Confident74.8Confident91 Ų9160.5 Ų60.549%0.48729%0.293SS..  trans-82.7113.7169.7177.15.9000109.5E388 S389 C392D386-E388 PolarHBondContact O-N 2.85Å; D386-E388 PolarHBondContact OD1-N 2.55Å; D386-E388 VanDerWaalsContact OD1-N 3.09Å; D386-S389 WeakPolarHBondContact O-CB 3.45Å; D386-S389 PolarHBondContact O-N 3.3Å; D386-S389 PolarHBondContact O-OG 3.35Å; D386-C392 WeakPolarHBondContact O-CB 3.34Å
387P83Confident76.2Confident24 Ų2462.2 Ų62.216%0.15630%0.297CS..THydrogen-bonded Turntrans-58.2-20.9-178.3-23.935.1000114.8W291 F294 I301 L385W291-P387 HydrophobicContact CZ3-CB 4.12Å; F294-P387 HydrophobicContact CE1-CB 4.1Å; F294-P387 HydrophobicContact CE1-CG 3.93Å; I301-P387 HydrophobicContact CD1-CB 4.3Å; I301-P387 HydrophobicContact CD1-CG 4.35Å; L385-P387 WeakPolarHBondContact O-CD 3.24Å
388E84Confident77.2Confident111 Ų11160.1 Ų60.152%0.51929%0.289SS..THydrogen-bonded Turntrans-86.2-19.4178.6-60.6-159132.100113.4R296 D386 K393R296-E388 IonicContact CZ-OE1 2.88Å; R296-E388 IonicContact NH1-OE1 3.18Å; R296-E388 PolarHBondContact NH1-OE1 3.46Å; R296-E388 IonicContact NH2-OE1 2.88Å; R296-E388 PolarHBondContact NH2-OE1 3.27Å; D386-E388 PolarHBondContact O-N 2.85Å; D386-E388 PolarHBondContact OD1-N 2.55Å; D386-E388 VanDerWaalsContact OD1-N 3.09Å; E388-K393 VanDerWaalsContact O-CE 3.31Å; E388-K393 WeakPolarHBondContact O-CE 3.36Å; E388-K393 PolarHBondContact O-NZ 3Å; E388-K393 VanDerWaalsContact O-NZ 3.14Å
389S86.8Confident77.6Confident31 Ų3153 Ų5322%0.21726%0.256CS..SBendtrans-66.9142.2-179.170.40000111.8D386 E391 C392 K393D386-S389 WeakPolarHBondContact O-CB 3.45Å; D386-S389 PolarHBondContact O-N 3.3Å; D386-S389 PolarHBondContact O-OG 3.35Å; S389-E391 PolarHBondContact O-N 2.99Å; S389-C392 PolarHBondContact O-N 2.83Å; S389-C392 VanDerWaalsContact OG-CB 3.23Å; S389-C392 WeakPolarHBondContact OG-CB 3.48Å; S389-C392 PolarHBondContact OG-N 3.18Å; S389-K393 PolarHBondContact O-N 3.19Å; S389-K393 VanDerWaalsContact O-N 3.1Å
390E84.9Confident78.2Confident129 Ų12951.8 Ų51.860%0.60325%0.247SC*.Hα-helixtrans-61.3-32.7172.9-67.9-55.2120.600111.3K393 T394E390-K393 PolarHBondContact O-N 2.97Å; E390-K393 IonicContact OE1-NZ 2.71Å; E390-K393 PolarHBondContact OE1-NZ 3.23Å; E390-T394 WeakPolarHBondContact O-CB 3.4Å; E390-T394 PolarHBondContact O-N 3.29Å; E390-T394 PolarHBondContact O-OG1 3.23Å
391E83Confident78.7Confident88 Ų8852.3 Ų52.341%0.41125%0.253SS..Hα-helixtrans-56.6-51.8172.4-177.7-179.3-162.600111.5R383 S389 K393 T394 M395R383-E391 IonicContact CZ-OE1 3.21Å; R383-E391 IonicContact NH1-OE1 2.81Å; R383-E391 PolarHBondContact NH1-OE1 3.21Å; R383-E391 IonicContact NH1-OE2 3.53Å; R383-E391 IonicContact NH2-OE1 3.79Å; R383-E391 PolarHBondContact NH2-OE1 2.84Å; S389-E391 PolarHBondContact O-N 2.99Å; E391-K393 PolarHBondContact O-N 3.32Å; E391-T394 PolarHBondContact O-N 3.38Å; E391-M395 HydrophobicContact CG-SD 3.74Å; E391-M395 WeakPolarHBondContact O-CB 3.27Å; E391-M395 WeakPolarHBondContact O-CG 3.31Å; E391-M395 PolarHBondContact O-N 3.04Å
392C81.9Confident78.7Confident0 Ų052.3 Ų52.30%025%0.246CC..Hα-helixtrans-63.7-41.4179.3-173.60000112.2L385 D386 S389 M395 V396L385-C392 HydrophobicContact CB-CB 3.99Å; L385-C392 HydrophobicContact CD1-CB 4.4Å; D386-C392 WeakPolarHBondContact O-CB 3.34Å; S389-C392 PolarHBondContact O-N 2.83Å; S389-C392 VanDerWaalsContact OG-CB 3.23Å; S389-C392 WeakPolarHBondContact OG-CB 3.48Å; S389-C392 PolarHBondContact OG-N 3.18Å; C392-M395 PolarHBondContact O-N 2.8Å; C392-V396 WeakPolarHBondContact O-CB 3.45Å; C392-V396 VanDerWaalsContact O-CG2 3.24Å; C392-V396 WeakPolarHBondContact O-CG2 3.1Å; C392-V396 PolarHBondContact O-N 3.49Å
393K84.8Confident78.8Confident78 Ų7857.1 Ų57.134%0.33927%0.27SS..Hα-helixtrans-64.6-42.9178.4-67176-160156.20111.7W291 E388 S389 E390 E391 K397W291-K393 HydrophobicContact CH2-CG 4.29Å; W291-K393 HydrophobicContact CZ2-CB 4.42Å; W291-K393 HydrophobicContact CZ2-CG 4.06Å; E388-K393 VanDerWaalsContact O-CE 3.31Å; E388-K393 WeakPolarHBondContact O-CE 3.36Å; E388-K393 PolarHBondContact O-NZ 3Å; E388-K393 VanDerWaalsContact O-NZ 3.14Å; S389-K393 PolarHBondContact O-N 3.19Å; S389-K393 VanDerWaalsContact O-N 3.1Å; E390-K393 PolarHBondContact O-N 2.97Å; E390-K393 IonicContact OE1-NZ 2.71Å; E390-K393 PolarHBondContact OE1-NZ 3.23Å; E391-K393 PolarHBondContact O-N 3.32Å; K393-K397 WeakPolarHBondContact O-CB 3.38Å; K393-K397 PolarHBondContact O-N 3.26Å
394T83.5Confident78.7Confident64 Ų6454.4 Ų54.439%0.39327%0.273SS..Hα-helixtrans-61.1-48.9174.1-62.70000110.5E390 E391 K397 E398E390-T394 WeakPolarHBondContact O-CB 3.4Å; E390-T394 PolarHBondContact O-N 3.29Å; E390-T394 PolarHBondContact O-OG1 3.23Å; E391-T394 PolarHBondContact O-N 3.38Å; T394-K397 WeakPolarHBondContact O-CB 2.92Å; T394-K397 PolarHBondContact O-N 3.16Å; T394-E398 HydrophobicContact CG2-CG 4.18Å; T394-E398 WeakPolarHBondContact O-CG 3.36Å; T394-E398 PolarHBondContact O-N 3.21Å
395M77Confident78.3Confident1 Ų155.2 Ų55.21%0.00528%0.282CS..Hα-helixtrans-64.1-48.2-179.2-68.2172.772.700112.2Y303 L385 E391 C392 K397 E398 Y399Y303-M395 HydrophobicContact CD2-CE 2.97Å; Y303-M395 HydrophobicContact CE2-CE 3.33Å; Y303-M395 HydrophobicContact CG-CE 3.75Å; L385-M395 HydrophobicContact CD1-CB 4.47Å; L385-M395 HydrophobicContact CD1-CE 4.08Å; L385-M395 HydrophobicContact CD1-SD 4.03Å; L385-M395 HydrophobicContact CD2-SD 4.23Å; E391-M395 HydrophobicContact CG-SD 3.74Å; E391-M395 WeakPolarHBondContact O-CB 3.27Å; E391-M395 WeakPolarHBondContact O-CG 3.31Å; E391-M395 PolarHBondContact O-N 3.04Å; C392-M395 PolarHBondContact O-N 2.8Å; M395-K397 VanDerWaalsContact C-N 3.26Å; M395-K397 PolarHBondContact O-N 3.07Å; M395-E398 PolarHBondContact O-N 3.29Å; M395-Y399 HydrophobicContact CB-CD2 4.49Å; M395-Y399 WeakPolarHBondContact O-CB 3.41Å; M395-Y399 WeakPolarHBondContact O-CD2 3.38Å; M395-Y399 PolarHBondContact O-N 2.65Å
396V79.1Confident78.2Confident1 Ų155 Ų551%0.00628%0.281CS..Hα-helixtrans-57.6-43.1176.1169.90000110.8L287 F290 W291 I301 V357 C392 F400L287-V396 HydrophobicContact CD2-CG1 3.88Å; F290-V396 HydrophobicContact CD1-CG1 4.14Å; F290-V396 HydrophobicContact CE1-CG1 3.92Å; W291-V396 HydrophobicContact CH2-CB 4.45Å; W291-V396 HydrophobicContact CH2-CG2 4.06Å; W291-V396 HydrophobicContact CZ2-CB 3.71Å; W291-V396 HydrophobicContact CZ2-CG1 3.75Å; W291-V396 HydrophobicContact CZ2-CG2 3.82Å; I301-V396 HydrophobicContact CD1-CG2 4.06Å; I301-V396 HydrophobicContact CG2-CG2 4.17Å; V357-V396 HydrophobicContact CG1-CG2 3.83Å; C392-V396 WeakPolarHBondContact O-CB 3.45Å; C392-V396 VanDerWaalsContact O-CG2 3.24Å; C392-V396 WeakPolarHBondContact O-CG2 3.1Å; C392-V396 PolarHBondContact O-N 3.49Å; V396-F400 HydrophobicContact CG1-CD2 3.87Å; V396-F400 HydrophobicContact CG1-CE2 3.89Å; V396-F400 HydrophobicContact CG1-CG 4.29Å; V396-F400 HydrophobicContact CG1-CZ 4.34Å; V396-F400 WeakPolarHBondContact O-CB 3.35Å; V396-F400 WeakPolarHBondContact O-CG 3.04Å; V396-F400 PolarHBondContact O-N 2.85Å
397K82.5Confident77.4Confident105 Ų10558.2 Ų58.246%0.45729%0.291SS..Hα-helixtrans-61.1-53.8177.3178.8-174.9177.8-173.90111.8M283 L287 K393 T394 M395 Y399 F400 A401M283-K397 HydrophobicContact CE-CD 4.47Å; M283-K397 HydrophobicContact CE-CG 4.47Å; M283-K397 HydrophobicContact SD-CG 4.22Å; L287-K397 HydrophobicContact CD1-CB 4.27Å; L287-K397 HydrophobicContact CD1-CG 4Å; K393-K397 WeakPolarHBondContact O-CB 3.38Å; K393-K397 PolarHBondContact O-N 3.26Å; T394-K397 WeakPolarHBondContact O-CB 2.92Å; T394-K397 PolarHBondContact O-N 3.16Å; M395-K397 VanDerWaalsContact C-N 3.26Å; M395-K397 PolarHBondContact O-N 3.07Å; K397-Y399 VanDerWaalsContact C-N 3.33Å; K397-Y399 PolarHBondContact O-N 2.83Å; K397-F400 PolarHBondContact O-N 3.3Å; K397-A401 WeakPolarHBondContact O-CB 3.4Å; K397-A401 PolarHBondContact O-N 3.46Å
398E77.4Confident76.5Confident19 Ų1960 Ų609%0.08930%0.297CS..Hα-helixtrans-63.7-39.3-176.7-67.8-174.4147.400111.9T394 M395 W402 E403 G404 D405 F406 H408T394-E398 HydrophobicContact CG2-CG 4.18Å; T394-E398 WeakPolarHBondContact O-CG 3.36Å; T394-E398 PolarHBondContact O-N 3.21Å; M395-E398 PolarHBondContact O-N 3.29Å; E398-W402 VanDerWaalsContact O-CA 3.32Å; E398-W402 WeakPolarHBondContact O-CA 3.48Å; E398-W402 PolarHBondContact O-N 2.96Å; E398-E403 WeakPolarHBondContact CA-O 3.25Å; E398-E403 PolarHBondContact O-N 3.23Å; E398-G404 WeakPolarHBondContact OE1-CA 3.43Å; E398-D405 PolarHBondContact OE1-N 3.17Å; E398-F406 HydrophobicContact CB-CD1 4.4Å; E398-F406 HydrophobicContact CB-CE1 3.92Å; E398-F406 HydrophobicContact CB-CZ 4.07Å; E398-F406 PolarHBondContact OE1-N 3Å; E398-F406 WeakPolarHBondContact OE2-CA 3.33Å; E398-F406 PolarHBondContact OE2-N 2.93Å; E398-H408 IonicContact OE2-CE1 2.69Å; E398-H408 PolarHBondContact OE2-CE1 2.64Å; E398-H408 VanDerWaalsContact OE2-CE1 3.28Å; E398-H408 IonicContact OE2-ND1 3.28Å
399Y73.9Confident75.4Confident0 Ų055.8 Ų55.80%028%0.279CS..Hα-helixtrans-79.3-33-178.4-78.4-101.6000113S342 V344 V355 V357 M395 K397 W402 F406 H408S342-Y399 VanDerWaalsContact CB-O 3.29Å; S342-Y399 WeakPolarHBondContact CB-O 2.81Å; S342-Y399 PolarHBondContact OG-O 3.26Å; V344-Y399 HydrophobicContact CB-CD1 4.49Å; V344-Y399 HydrophobicContact CB-CE1 4.05Å; V344-Y399 HydrophobicContact CG2-CD1 3.84Å; V344-Y399 HydrophobicContact CG2-CE1 3.9Å; V355-Y399 HydrophobicContact CB-CE1 3.51Å; V355-Y399 VanDerWaalsContact CB-OH 3.28Å; V355-Y399 WeakPolarHBondContact CB-OH 3.39Å; V355-Y399 HydrophobicContact CG1-CD1 4.23Å; V355-Y399 HydrophobicContact CG1-CE1 3.3Å; V355-Y399 HydrophobicContact CG1-CE2 4.31Å; V355-Y399 WeakPolarHBondContact CG1-OH 3.23Å; V355-Y399 WeakPolarHBondContact O-CE1 3.15Å; V357-Y399 HydrophobicContact CG2-CD1 4.13Å; V357-Y399 HydrophobicContact CG2-CD2 4.09Å; V357-Y399 HydrophobicContact CG2-CG 3.76Å; M395-Y399 HydrophobicContact CB-CD2 4.49Å; M395-Y399 WeakPolarHBondContact O-CB 3.41Å; M395-Y399 WeakPolarHBondContact O-CD2 3.38Å; M395-Y399 PolarHBondContact O-N 2.65Å; K397-Y399 VanDerWaalsContact C-N 3.33Å; K397-Y399 PolarHBondContact O-N 2.83Å; Y399-W402 PolarHBondContact O-NE1 3.45Å; Y399-F406 HydrophobicContact CD2-CD1 4.4Å; Y399-F406 AromaticContact CD2-CE1 3.9Å; Y399-F406 HydrophobicContact CD2-CE1 3.9Å; Y399-F406 HydrophobicContact CE1-CE1 4.38Å; Y399-F406 AromaticContact CE2-CD1 3.72Å; Y399-F406 HydrophobicContact CE2-CD1 3.72Å; Y399-F406 AromaticContact CE2-CE1 3.62Å; Y399-F406 HydrophobicContact CE2-CE1 3.62Å; Y399-F406 HydrophobicContact CG-CE1 4.45Å; Y399-F406 AromaticContact CZ-CD1 3.94Å; Y399-F406 AromaticContact CZ-CE1 3.88Å; Y399-H408 AromaticContact CE2-CE1 3.74Å; Y399-H408 AromaticContact CE2-NE2 3.36Å; Y399-H408 WeakPolarHBondContact CE2-NE2 3.46Å; Y399-H408 AromaticContact CZ-NE2 3.81Å; Y399-H408 PolarHBondContact OH-NE2 3.38Å
400F75.6Confident74.1Confident1 Ų156.9 Ų56.90%0.00429%0.294CS..Hα-helixtrans-80-30.4174.8-749000111.4F273 Y277 T282 L287 F290 L340 V396 K397F273-F400 AromaticContact CE1-CE2 3.97Å; F273-F400 HydrophobicContact CE1-CE2 3.97Å; F273-F400 HydrophobicContact CZ-CD2 4.06Å; F273-F400 AromaticContact CZ-CE2 3.7Å; F273-F400 HydrophobicContact CZ-CE2 3.7Å; Y277-F400 HydrophobicContact CE2-CB 3.92Å; Y277-F400 HydrophobicContact CE2-CG 4.37Å; Y277-F400 PolarHBondContact OH-O 2.92Å; T282-F400 HydrophobicContact CG2-CB 4.38Å; T282-F400 WeakPolarHBondContact CG2-O 3.45Å; L287-F400 HydrophobicContact CD2-CB 4.01Å; L287-F400 HydrophobicContact CD2-CD2 3.82Å; L287-F400 HydrophobicContact CD2-CG 4.34Å; F290-F400 HydrophobicContact CD2-CE2 4.24Å; F290-F400 HydrophobicContact CE2-CE2 4.26Å; F290-F400 HydrophobicContact CG-CE2 4.41Å; F290-F400 HydrophobicContact CZ-CE2 4.45Å; L340-F400 HydrophobicContact CD2-CD1 4.39Å; L340-F400 HydrophobicContact CD2-CD2 4.22Å; L340-F400 HydrophobicContact CD2-CE1 3.98Å; L340-F400 HydrophobicContact CD2-CE2 3.8Å; L340-F400 HydrophobicContact CD2-CZ 3.68Å; L340-F400 HydrophobicContact CG-CZ 4.5Å; V396-F400 HydrophobicContact CG1-CD2 3.87Å; V396-F400 HydrophobicContact CG1-CE2 3.89Å; V396-F400 HydrophobicContact CG1-CG 4.29Å; V396-F400 HydrophobicContact CG1-CZ 4.34Å; V396-F400 WeakPolarHBondContact O-CB 3.35Å; V396-F400 WeakPolarHBondContact O-CG 3.04Å; V396-F400 PolarHBondContact O-N 2.85Å; K397-F400 PolarHBondContact O-N 3.3Å
401A75.1Confident73Confident17 Ų1752.3 Ų52.314%0.1427%0.273CS..Hα-helixtrans-82-17.1175.600000113.6T282 M283 K397 E403T282-A401 HydrophobicContact CG2-CB 4.4Å; M283-A401 HydrophobicContact CG-CB 4.36Å; M283-A401 HydrophobicContact SD-CB 3.64Å; K397-A401 WeakPolarHBondContact O-CB 3.4Å; K397-A401 PolarHBondContact O-N 3.46Å; A401-E403 HydrophobicContact CB-CB 4.41Å; A401-E403 PolarHBondContact O-N 3.38Å
402W68.5Low71.8Confident92 Ų9251.4 Ų51.435%0.34828%0.28SS..THydrogen-bonded Turntrans57.123.6-168.7-60.8-18.2000113.8S342 E398 Y399 F413 I418S342-W402 PolarHBondContact OG-NE1 3.03Å; E398-W402 VanDerWaalsContact O-CA 3.32Å; E398-W402 WeakPolarHBondContact O-CA 3.48Å; E398-W402 PolarHBondContact O-N 2.96Å; Y399-W402 PolarHBondContact O-NE1 3.45Å; W402-F413 HydrophobicContact CB-CE2 4.13Å; W402-F413 HydrophobicContact CB-CZ 3.92Å; W402-I418 HydrophobicContact CD2-CD1 4.48Å; W402-I418 VanDerWaalsContact CE2-CD1 3.41Å; W402-I418 HydrophobicContact CZ2-CB 3.77Å; W402-I418 HydrophobicContact CZ2-CD1 3.45Å; W402-I418 VanDerWaalsContact CZ2-CD1 3.45Å; W402-I418 HydrophobicContact CZ2-CG1 3.42Å; W402-I418 VanDerWaalsContact CZ2-CG1 3.42Å
403E69.1Low70.8Confident147 Ų14754.6 Ų54.669%0.68729%0.294SS*.  trans-140.8132.1-174.6-67.9-178.7179.900109.1E398 A401E398-E403 WeakPolarHBondContact CA-O 3.25Å; E398-E403 PolarHBondContact O-N 3.23Å; A401-E403 HydrophobicContact CB-CB 4.41Å; A401-E403 PolarHBondContact O-N 3.38Å
404G69.9Low69.5Low42 Ų4253.5 Ų53.543%0.43329%0.292SS..SBendtrans166.8171.6-174.900000114E398 F406E398-G404 WeakPolarHBondContact OE1-CA 3.43Å; G404-F406 VanDerWaalsContact O-CD2 3.28Å; G404-F406 WeakPolarHBondContact O-CD2 3.2Å
405D67.1Low68Low112 Ų11254.2 Ų54.260%0.59929%0.291SS*.  trans-85.4-15.5175.5-74.2-22.5000111.5E398 K407E398-D405 PolarHBondContact OE1-N 3.17Å; D405-K407 HydrophobicContact CB-CD 4.23Å; D405-K407 HydrophobicContact CB-CG 3.77Å; D405-K407 PolarHBondContact O-N 3.34Å; D405-K407 WeakPolarHBondContact OD2-CE 3.32Å; D405-K407 IonicContact OD2-NZ 3.69Å; D405-K407 PolarHBondContact OD2-NZ 3.23Å
406F71.4Confident67Low1 Ų154.9 Ų54.90%0.00430%0.298CS..  trans46.839.1179.7-61.6-88000113.3L346 E398 Y399 G404 H408 V409 G410 F413L346-F406 HydrophobicContact CD2-CB 4.35Å; L346-F406 HydrophobicContact CD2-CD1 4.25Å; L346-F406 HydrophobicContact CD2-CG 4.13Å; E398-F406 HydrophobicContact CB-CD1 4.4Å; E398-F406 HydrophobicContact CB-CE1 3.92Å; E398-F406 HydrophobicContact CB-CZ 4.07Å; E398-F406 PolarHBondContact OE1-N 3Å; E398-F406 WeakPolarHBondContact OE2-CA 3.33Å; E398-F406 PolarHBondContact OE2-N 2.93Å; Y399-F406 HydrophobicContact CD2-CD1 4.4Å; Y399-F406 AromaticContact CD2-CE1 3.9Å; Y399-F406 HydrophobicContact CD2-CE1 3.9Å; Y399-F406 HydrophobicContact CE1-CE1 4.38Å; Y399-F406 AromaticContact CE2-CD1 3.72Å; Y399-F406 HydrophobicContact CE2-CD1 3.72Å; Y399-F406 AromaticContact CE2-CE1 3.62Å; Y399-F406 HydrophobicContact CE2-CE1 3.62Å; Y399-F406 HydrophobicContact CG-CE1 4.45Å; Y399-F406 AromaticContact CZ-CD1 3.94Å; Y399-F406 AromaticContact CZ-CE1 3.88Å; G404-F406 VanDerWaalsContact O-CD2 3.28Å; G404-F406 WeakPolarHBondContact O-CD2 3.2Å; F406-H408 AromaticContact CD1-CE1 3.98Å; F406-H408 PolarHBondContact O-N 3.01Å; F406-H408 VanDerWaalsContact O-N 3.17Å; F406-V409 PolarHBondContact O-N 2.8Å; F406-G410 PolarHBondContact O-N 3.08Å; F406-F413 HydrophobicContact CD2-CB 3.99Å; F406-F413 HydrophobicContact CE2-CB 3.65Å; F406-F413 AromaticContact CE2-CD2 3.94Å; F406-F413 HydrophobicContact CE2-CD2 3.94Å; F406-F413 HydrophobicContact CE2-CG 4.08Å; F406-F413 HydrophobicContact CZ-CB 4.42Å; F406-F413 AromaticContact CZ-CD2 3.87Å; F406-F413 HydrophobicContact CZ-CD2 3.87Å; F406-F413 HydrophobicContact CZ-CG 4.47Å
407K67.2Low65.9Low160 Ų16058.2 Ų58.270%0.69631%0.312SS*.THydrogen-bonded Turntrans-60.1-28.8-172.8-71.3179.4179.91470113.2D405 V409 G410D405-K407 HydrophobicContact CB-CD 4.23Å; D405-K407 HydrophobicContact CB-CG 3.77Å; D405-K407 PolarHBondContact O-N 3.34Å; D405-K407 WeakPolarHBondContact OD2-CE 3.32Å; D405-K407 IonicContact OD2-NZ 3.69Å; D405-K407 PolarHBondContact OD2-NZ 3.23Å; K407-V409 PolarHBondContact O-N 3.32Å; K407-G410 PolarHBondContact O-N 2.88Å
408H64.4Low64.7Low61 Ų6154.6 Ų54.628%0.28230%0.298SS..THydrogen-bonded Turntrans-67.5-20.8176.956.9-69.8000113.4E398 Y399 F406E398-H408 IonicContact OE2-CE1 2.69Å; E398-H408 PolarHBondContact OE2-CE1 2.64Å; E398-H408 VanDerWaalsContact OE2-CE1 3.28Å; E398-H408 IonicContact OE2-ND1 3.28Å; Y399-H408 AromaticContact CE2-CE1 3.74Å; Y399-H408 AromaticContact CE2-NE2 3.36Å; Y399-H408 WeakPolarHBondContact CE2-NE2 3.46Å; Y399-H408 AromaticContact CZ-NE2 3.81Å; Y399-H408 PolarHBondContact OH-NE2 3.38Å; F406-H408 AromaticContact CD1-CE1 3.98Å; F406-H408 PolarHBondContact O-N 3.01Å; F406-H408 VanDerWaalsContact O-N 3.17Å
409V61.2Low63.7Low23 Ų2355.6 Ų55.614%0.13930%0.302CS..THydrogen-bonded Turntrans-107.9-21.3175.4-154.70000111.9L346 F406 K407 K411L346-V409 HydrophobicContact CD1-CB 3.62Å; L346-V409 HydrophobicContact CD1-CG1 3.6Å; L346-V409 HydrophobicContact CD1-CG2 3.57Å; F406-V409 PolarHBondContact O-N 2.8Å; K407-V409 PolarHBondContact O-N 3.32Å; V409-K411 VanDerWaalsContact C-N 3.32Å; V409-K411 HydrophobicContact CG1-CD 4.13Å; V409-K411 HydrophobicContact CG1-CG 4.17Å; V409-K411 WeakPolarHBondContact O-CG 3.47Å; V409-K411 PolarHBondContact O-N 2.94Å
410G58.1Low62.7Low53 Ų5360.3 Ų60.355%0.54632%0.322SS..THydrogen-bonded Turntrans69.129.3178.200000113.6F406 K407F406-G410 PolarHBondContact O-N 3.08Å; K407-G410 PolarHBondContact O-N 2.88Å
411K63.5Low62.1Low34 Ų3463.3 Ų63.315%0.14834%0.338CS..  trans-136.6146.6-172.4-59.4-167-177.8173.70110.6L346 V347 H348 C353 V409L346-K411 HydrophobicContact CB-CB 3.59Å; L346-K411 HydrophobicContact CB-CD 3.9Å; L346-K411 HydrophobicContact CB-CG 4.33Å; L346-K411 HydrophobicContact CD1-CB 4.48Å; L346-K411 HydrophobicContact CG-CB 4.44Å; V347-K411 WeakPolarHBondContact O-CB 3.27Å; H348-K411 HydrophobicContact CB-CD 3.67Å; H348-K411 HydrophobicContact CB-CG 3.78Å; C353-K411 HydrophobicContact CB-CD 4.28Å; V409-K411 VanDerWaalsContact C-N 3.32Å; V409-K411 HydrophobicContact CG1-CD 4.13Å; V409-K411 HydrophobicContact CG1-CG 4.17Å; V409-K411 WeakPolarHBondContact O-CG 3.47Å; V409-K411 PolarHBondContact O-N 2.94Å
412A57.3Low61.4Low68 Ų6865.7 Ų65.756%0.56235%0.349SS*.EExtended strand (participates in β ladder)trans-79.6138.5178.700000111.5V347V347-A412 PolarHBondContact N-O 2.73Å
413F60Low61Low68 Ų6864.3 Ų64.330%0.29835%0.349SS..EExtended strand (participates in β ladder)trans-60.5140.8171.7177-95000111.7V344 W402 F406 Q415V344-F413 HydrophobicContact CB-CD2 4.5Å; V344-F413 HydrophobicContact CB-CE2 4.43Å; V344-F413 HydrophobicContact CG1-CD2 3.31Å; V344-F413 HydrophobicContact CG1-CE2 3.58Å; V344-F413 HydrophobicContact CG1-CG 4.44Å; V344-F413 HydrophobicContact CG2-CD2 4.39Å; V344-F413 HydrophobicContact CG2-CE2 4.03Å; W402-F413 HydrophobicContact CB-CE2 4.13Å; W402-F413 HydrophobicContact CB-CZ 3.92Å; F406-F413 HydrophobicContact CD2-CB 3.99Å; F406-F413 HydrophobicContact CE2-CB 3.65Å; F406-F413 AromaticContact CE2-CD2 3.94Å; F406-F413 HydrophobicContact CE2-CD2 3.94Å; F406-F413 HydrophobicContact CE2-CG 4.08Å; F406-F413 HydrophobicContact CZ-CB 4.42Å; F406-F413 AromaticContact CZ-CD2 3.87Å; F406-F413 HydrophobicContact CZ-CD2 3.87Å; F406-F413 HydrophobicContact CZ-CG 4.47Å; F413-Q415 VanDerWaalsContact CE2-O 3.3Å; F413-Q415 WeakPolarHBondContact CE2-O 3.34Å; F413-Q415 VanDerWaalsContact CZ-C 3.4Å
414N57.3Low60.6Low55 Ų5559.4 Ų59.429%0.29433%0.329SS..  trans-122.3-57.4175.7-167.8-25.1000112Q126 P345 V347Q126-N414 PolarHBondContact NE2-O 3.13Å; P345-N414 WeakPolarHBondContact O-CB 3.19Å; P345-N414 PolarHBondContact O-N 3.18Å; V347-N414 HydrophobicContact CG2-CB 4.1Å
415Q52Low60Low79 Ų7960.5 Ų60.537%0.36932%0.322SS..  trans-147.2163.5-178.3-170.3172.41.900109.1C319 V344 P345 F413C319-Q415 PolarHBondContact SG-OE1 3.41Å; V344-Q415 WeakPolarHBondContact CG1-O 3.45Å; P345-Q415 WeakPolarHBondContact CD-O 3.19Å; P345-Q415 HydrophobicContact CG-CB 3.87Å; P345-Q415 WeakPolarHBondContact CG-O 3.13Å; F413-Q415 VanDerWaalsContact CE2-O 3.3Å; F413-Q415 WeakPolarHBondContact CE2-O 3.34Å; F413-Q415 VanDerWaalsContact CZ-C 3.4Å
416G56.3Low59.5Low15 Ų1557.1 Ų57.116%0.15530%0.304CS..  trans-139.3155.6172.200000111.8E343E343-G416 CarbonylContact O-C 3.44Å; E343-G416 VanDerWaalsContact O-CA 3.22Å; E343-G416 WeakPolarHBondContact O-CA 3.11Å
417K56.1Low58.6Low70 Ų7061.1 Ų61.130%0.30433%0.325SS..EExtended strand (participates in β ladder)trans-129.8140.9169.3-170.6-177.6178.8-167.50108.2I322 T326 S342 E343I322-K417 HydrophobicContact CG2-CB 4.02Å; I322-K417 HydrophobicContact CG2-CD 3.55Å; I322-K417 HydrophobicContact CG2-CG 4.44Å; T326-K417 PolarHBondContact OG1-NZ 3.06Å; S342-K417 WeakPolarHBondContact CA-O 2.93Å; E343-K417 PolarHBondContact N-O 3.15Å; E343-K417 PolarHBondContact O-N 2.87Å
418I58.2Low58Low29 Ų2953.5 Ų53.515%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-119.9132.5174.5-80.8168.4000109.7Y277 L340 C341 W402 K420Y277-I418 HydrophobicContact CE1-CD1 3.59Å; Y277-I418 HydrophobicContact CE1-CG2 4.13Å; Y277-I418 VanDerWaalsContact CZ-CD1 3.49Å; Y277-I418 WeakPolarHBondContact OH-CD1 3.38Å; L340-I418 HydrophobicContact CD1-CG2 3.77Å; L340-I418 HydrophobicContact CG-CG2 4.37Å; C341-I418 CarbonylContact O-C 3.59Å; C341-I418 WeakPolarHBondContact O-CA 3.3Å; W402-I418 HydrophobicContact CD2-CD1 4.48Å; W402-I418 VanDerWaalsContact CE2-CD1 3.41Å; W402-I418 HydrophobicContact CZ2-CB 3.77Å; W402-I418 HydrophobicContact CZ2-CD1 3.45Å; W402-I418 VanDerWaalsContact CZ2-CD1 3.45Å; W402-I418 HydrophobicContact CZ2-CG1 3.42Å; W402-I418 VanDerWaalsContact CZ2-CG1 3.42Å; I418-K420 HydrophobicContact CG2-CD 4.25Å; I418-K420 HydrophobicContact CG2-CG 3.58Å
419F55.3Low57.4Low41 Ų4152.8 Ų52.818%0.1830%0.298CS..EExtended strand (participates in β ladder)trans-97126169.2-174.6-102.3000109.1T326 L340 C341T326-F419 HydrophobicContact CG2-CB 4.34Å; T326-F419 HydrophobicContact CG2-CD2 3.39Å; T326-F419 HydrophobicContact CG2-CE2 4.01Å; T326-F419 HydrophobicContact CG2-CG 4.17Å; L340-F419 WeakPolarHBondContact CA-O 3.22Å; L340-F419 WeakPolarHBondContact CD1-O 3.46Å; C341-F419 HydrophobicContact CB-CB 4.03Å; C341-F419 PolarHBondContact N-O 3.27Å; C341-F419 VanDerWaalsContact N-O 3.12Å; C341-F419 PolarHBondContact O-N 3.01Å
420K54.2Low57.1Low99 Ų9955.5 Ų55.543%0.4331%0.312SS..  trans-124.30179.1-48.3-166.6178.6177.40109.8K274 Y277 S278 L340 I418K274-K420 WeakPolarHBondContact CD-OXT 3.28Å; K274-K420 WeakPolarHBondContact CE-OXT 3.38Å; K274-K420 PolarHBondContact NZ-OXT 2.99Å; Y277-K420 HydrophobicContact CD1-CD 4.25Å; Y277-K420 VanDerWaalsContact CD1-NZ 3.31Å; Y277-K420 VanDerWaalsContact CE1-CE 3.46Å; S278-K420 VanDerWaalsContact CA-NZ 3.26Å; S278-K420 WeakPolarHBondContact OG-CD 3.39Å; S278-K420 WeakPolarHBondContact OG-CE 3.39Å; S278-K420 PolarHBondContact OG-NZ 3.03Å; L340-K420 HydrophobicContact CD1-CB 4.18Å; L340-K420 HydrophobicContact CD1-CD 4.29Å; L340-K420 HydrophobicContact CD1-CG 3.65Å; I418-K420 HydrophobicContact CG2-CD 4.25Å; I418-K420 HydrophobicContact CG2-CG 3.58Å

Retrieved 420 of 420 residues in 516.5 ms (Link to these results)

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