G4LUJ6_SCHMA Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession G4LUJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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
1M66.7Low93.5Very high145 Ų14539.8 Ų39.871%0.71422%0.219SC*.  0140.50-89.7174-94.800108.3N31 L32M1-N31 HydrophobicContact CE-CB 3.76Å; M1-N31 HydrophobicContact SD-CB 4.29Å; M1-L32 HydrophobicContact CE-CD2 4.44Å; M1-L32 HydrophobicContact CE-CG 4.21Å
2S91.1Very high93.9Very high75 Ų7536.5 Ų36.552%0.52420%0.201SC..  trans-61154.7171.7176.90000110.6L4 A5 H6S2-L4 PolarHBondContact O-N 3.25Å; S2-L4 PolarHBondContact OG-N 2.92Å; S2-A5 PolarHBondContact O-N 3.19Å; S2-H6 PolarHBondContact O-N 2.94Å
3I95.3Very high94.3Very high84 Ų8433.7 Ų33.743%0.43119%0.185SC..G310 helixtrans-57.9-40.2174.6-62.7171.3000110.4A5 H6 L56 F104I3-A5 PolarHBondContact O-N 3.18Å; I3-H6 VanDerWaalsContact O-CB 3.24Å; I3-H6 WeakPolarHBondContact O-CB 3.31Å; I3-H6 PolarHBondContact O-N 3.06Å; I3-H6 VanDerWaalsContact O-N 3.14Å; I3-L56 HydrophobicContact CG2-CD1 4.3Å; I3-L56 HydrophobicContact CG2-CD2 4.2Å; I3-F104 HydrophobicContact CB-CD1 3.97Å; I3-F104 HydrophobicContact CB-CE1 4.11Å; I3-F104 HydrophobicContact CB-CG 4.29Å; I3-F104 HydrophobicContact CD1-CD1 4.42Å; I3-F104 HydrophobicContact CD1-CE1 3.71Å; I3-F104 HydrophobicContact CD1-CE2 4.13Å; I3-F104 HydrophobicContact CD1-CZ 3.54Å; I3-F104 HydrophobicContact CG2-CB 3.94Å; I3-F104 HydrophobicContact CG2-CD1 3.67Å; I3-F104 HydrophobicContact CG2-CD2 3.69Å; I3-F104 HydrophobicContact CG2-CE1 4.04Å; I3-F104 HydrophobicContact CG2-CE2 4.05Å; I3-F104 HydrophobicContact CG2-CG 3.48Å; I3-F104 VanDerWaalsContact CG2-CG 3.48Å; I3-F104 HydrophobicContact CG2-CZ 4.22Å
4L94.9Very high94.6Very high38 Ų3831.3 Ų31.320%0.19917%0.172CC..G310 helixtrans-62-29.4176.1-70.2169.7000113S2 F104 L126S2-L4 PolarHBondContact O-N 3.25Å; S2-L4 PolarHBondContact OG-N 2.92Å; L4-F104 HydrophobicContact CD2-CB 4Å; L4-F104 WeakPolarHBondContact CD2-O 3.48Å; L4-L126 HydrophobicContact CD1-CD2 3.99Å
5A96Very high94.8Very high20 Ų2030 Ų3017%0.16517%0.166CC..G310 helixtrans-91.2-0.3-179.800000113.2S2 I3 N7 G8 T141S2-A5 PolarHBondContact O-N 3.19Å; I3-A5 PolarHBondContact O-N 3.18Å; A5-N7 VanDerWaalsContact C-N 3.33Å; A5-N7 PolarHBondContact O-N 3.44Å; A5-G8 PolarHBondContact O-N 3.39Å; A5-T141 HydrophobicContact CB-CG2 3.74Å
6H96.9Very high95Very high60 Ų6028.7 Ų28.728%0.27816%0.162SC..SBendtrans-63.2-38.7-172.3-176.658.3000112.8S2 I3 N31 L56S2-H6 PolarHBondContact O-N 2.94Å; I3-H6 VanDerWaalsContact O-CB 3.24Å; I3-H6 WeakPolarHBondContact O-CB 3.31Å; I3-H6 PolarHBondContact O-N 3.06Å; I3-H6 VanDerWaalsContact O-N 3.14Å; H6-N31 PolarHBondContact ND1-OD1 3.37Å; H6-N31 WeakPolarHBondContact O-CA 3.24Å; H6-N31 PolarHBondContact O-N 3.07Å; H6-L56 HydrophobicContact CB-CD1 4.31Å
7N97.7Very high95.1Very high12 Ų1234.2 Ų34.26%0.06418%0.184CC..SBendtrans-98.2-19175.7-59.3116000113.3A5 R27 G29 L56 A57A5-N7 VanDerWaalsContact C-N 3.33Å; A5-N7 PolarHBondContact O-N 3.44Å; N7-R27 PolarHBondContact O-NH1 2.95Å; N7-R27 VanDerWaalsContact O-NH1 3.08Å; N7-G29 VanDerWaalsContact CA-O 3.3Å; N7-G29 WeakPolarHBondContact CA-O 3.4Å; N7-G29 PolarHBondContact ND2-O 2.87Å; N7-L56 WeakPolarHBondContact OD1-CD1 3.2Å; N7-A57 HydrophobicContact CB-CB 4.3Å; N7-A57 WeakPolarHBondContact OD1-CB 3.27Å; N7-A57 PolarHBondContact OD1-N 3.42Å
8G96Very high95.1Very high2 Ų237.9 Ų37.92%0.02120%0.203CC..  trans66.7154.6-169.500000112.3A5 V180A5-G8 PolarHBondContact O-N 3.39Å; G8-V180 VanDerWaalsContact CA-O 3.29Å; G8-V180 WeakPolarHBondContact CA-O 3.46Å
9S96.9Very high95.2Very high2 Ų236.1 Ų36.11%0.01419%0.194CC..  trans179.6147.3-177.2174.30000110.6D25 K41 P54 G140 T141 S181S9-D25 WeakPolarHBondContact CA-OD1 3.26Å; S9-K41 WeakPolarHBondContact OG-CD 3.25Å; S9-K41 WeakPolarHBondContact OG-CE 3.3Å; S9-P54 WeakPolarHBondContact OG-CA 3.45Å; S9-P54 WeakPolarHBondContact OG-CB 3.07Å; S9-G140 CarbonylContact O-C 3.51Å; S9-G140 WeakPolarHBondContact O-CA 3.46Å; S9-T141 PolarHBondContact O-N 3.46Å; S9-T141 PolarHBondContact O-OG1 3.37Å; S9-S181 VanDerWaalsContact C-OG 3.29Å; S9-S181 PolarHBondContact N-OG 3.1Å; S9-S181 PolarHBondContact O-OG 2.8Å
10A98.1Very high95.4Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-136.2135161.900000110.7C24 D25 C142 M146 L175A10-C24 WeakPolarHBondContact O-CA 3.47Å; A10-C24 WeakPolarHBondContact O-CB 3.2Å; A10-D25 PolarHBondContact N-OD1 2.72Å; A10-D25 PolarHBondContact O-N 3.45Å; A10-C142 VanDerWaalsContact CB-SG 3.52Å; A10-M146 HydrophobicContact CB-CE 4.23Å; A10-M146 HydrophobicContact CB-SD 3.89Å; A10-L175 HydrophobicContact CB-CD2 3.61Å
11V98.6Very high95.5Very high0 Ų032.6 Ų32.60%018%0.175CC..EExtended strand (participates in β ladder)trans-134.2134.1170.5-176.50000109.6I22 A23 C24 K41 V42 P54 V108 V138 S139V11-I22 HydrophobicContact CG1-CD1 4.07Å; V11-I22 HydrophobicContact CG1-CG1 3.97Å; V11-A23 VanDerWaalsContact CA-O 3.28Å; V11-A23 WeakPolarHBondContact CA-O 3.11Å; V11-A23 WeakPolarHBondContact CG1-O 3.32Å; V11-C24 HydrophobicContact CG2-CB 3.9Å; V11-K41 HydrophobicContact CG2-CB 4.28Å; V11-V42 HydrophobicContact CG1-CG2 4.5Å; V11-P54 HydrophobicContact CB-CG 4.37Å; V11-P54 HydrophobicContact CG2-CB 4.14Å; V11-P54 HydrophobicContact CG2-CG 4.2Å; V11-V108 HydrophobicContact CB-CB 4.5Å; V11-V108 HydrophobicContact CB-CG2 4.24Å; V11-V108 HydrophobicContact CG1-CB 3.8Å; V11-V108 HydrophobicContact CG1-CG1 4.06Å; V11-V108 HydrophobicContact CG1-CG2 4.05Å; V11-V138 WeakPolarHBondContact O-CA 3.5Å; V11-S139 PolarHBondContact N-O 2.64Å; V11-S139 PolarHBondContact O-N 2.96Å
12I98.5Very high97.1Very high0 Ų025.7 Ų25.70%014%0.141CC..EExtended strand (participates in β ladder)trans-123.5138.9173.3-56.2-179.9000107.9M14 I22 A23 V138 M146 I167 C170 I171I12-M14 HydrophobicContact CG2-CE 3.96Å; I12-M14 HydrophobicContact CG2-CG 3.96Å; I12-I22 CarbonylContact O-C 3.18Å; I12-I22 VanDerWaalsContact O-CA 3.29Å; I12-I22 WeakPolarHBondContact O-CA 3.28Å; I12-I22 WeakPolarHBondContact O-CG1 3.34Å; I12-A23 PolarHBondContact N-O 3.49Å; I12-A23 PolarHBondContact O-N 3.18Å; I12-V138 HydrophobicContact CG1-CG1 4.15Å; I12-V138 HydrophobicContact CG2-CG1 4.2Å; I12-M146 HydrophobicContact CD1-CB 4.1Å; I12-M146 HydrophobicContact CD1-CG 3.76Å; I12-M146 HydrophobicContact CD1-SD 3.71Å; I12-M146 HydrophobicContact CG1-CB 4.34Å; I12-M146 HydrophobicContact CG1-CG 3.99Å; I12-M146 HydrophobicContact CG1-SD 3.28Å; I12-M146 WeakPolarHBondContact CG1-SD 3.14Å; I12-I167 HydrophobicContact CB-CD1 4.45Å; I12-I167 HydrophobicContact CB-CG1 4.4Å; I12-I167 HydrophobicContact CG2-CD1 4.22Å; I12-I167 HydrophobicContact CG2-CG1 4.1Å; I12-C170 HydrophobicContact CD1-CB 4.12Å; I12-I171 HydrophobicContact CD1-CB 3.96Å; I12-I171 HydrophobicContact CD1-CG1 4.21Å
13A98.8Very high97.4Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-124.5144.4160.700000110.6A21 I22 V108 A110 V121 F136 V137A13-A21 CarbonylContact C-O 3.51Å; A13-A21 WeakPolarHBondContact CA-O 3.34Å; A13-I22 HydrophobicContact CB-CB 4.29Å; A13-I22 HydrophobicContact CB-CG1 4.26Å; A13-V108 HydrophobicContact CB-CG1 3.51Å; A13-A110 HydrophobicContact CB-CB 3.87Å; A13-V121 HydrophobicContact CB-CB 4.31Å; A13-V121 HydrophobicContact CB-CG1 3.99Å; A13-F136 CarbonylContact O-C 3.57Å; A13-F136 WeakPolarHBondContact O-CA 3.34Å; A13-F136 WeakPolarHBondContact O-CB 3.11Å; A13-V137 HydrophobicContact CB-CG2 3.82Å; A13-V137 PolarHBondContact N-O 3.08Å; A13-V137 PolarHBondContact O-N 3.21Å
14M98.6Very high97.6Very high0 Ų018.1 Ų18.10%010%0.096CC..EExtended strand (participates in β ladder)trans-135.4143-179.5-62.1-175.2168.300110.5I12 A20 A21 D135 F136 C150 L163 I167 C170I12-M14 HydrophobicContact CG2-CE 3.96Å; I12-M14 HydrophobicContact CG2-CG 3.96Å; M14-A20 CarbonylContact O-C 3.56Å; M14-A20 WeakPolarHBondContact O-CA 3.29Å; M14-A21 PolarHBondContact N-O 2.77Å; M14-A21 PolarHBondContact O-N 2.9Å; M14-D135 CarbonylContact C-O 3.45Å; M14-D135 WeakPolarHBondContact CA-O 3.49Å; M14-F136 HydrophobicContact CB-CB 4.43Å; M14-F136 HydrophobicContact CG-CB 3.81Å; M14-C150 HydrophobicContact CE-CB 4.03Å; M14-C150 WeakPolarHBondContact CE-SG 3.24Å; M14-L163 HydrophobicContact CB-CD1 3.65Å; M14-L163 HydrophobicContact SD-CD1 4.43Å; M14-I167 HydrophobicContact CB-CD1 4.5Å; M14-I167 HydrophobicContact CE-CB 4.42Å; M14-I167 HydrophobicContact CE-CG1 4.37Å; M14-I167 HydrophobicContact CG-CB 4.43Å; M14-I167 HydrophobicContact CG-CD1 4.17Å; M14-I167 HydrophobicContact CG-CG1 4.21Å; M14-I167 HydrophobicContact SD-CB 3.66Å; M14-I167 HydrophobicContact SD-CD1 4.49Å; M14-I167 HydrophobicContact SD-CG1 3.95Å; M14-C170 HydrophobicContact CE-CB 3.84Å; M14-C170 VanDerWaalsContact CE-SG 3.6Å
15S98.3Very high97.7Very high12 Ų1216.3 Ų16.38%0.0849%0.086CC..EExtended strand (participates in β ladder)trans-89.4147.9168.169.60000110.2N134 D135 W154 L163S15-N134 VanDerWaalsContact OG-C 3.3Å; S15-N134 PolarHBondContact OG-O 2.97Å; S15-D135 PolarHBondContact N-O 2.82Å; S15-D135 PolarHBondContact OG-O 2.93Å; S15-D135 VanDerWaalsContact OG-O 3.04Å; S15-W154 PolarHBondContact O-NE1 3.24Å; S15-W154 VanDerWaalsContact O-NE1 3.08Å; S15-L163 VanDerWaalsContact O-CD1 3.3Å; S15-L163 WeakPolarHBondContact O-CD1 3.09Å
16G97.6Very high97.8Very high9 Ų916 Ų169%0.0938%0.081CC..  trans-134.3-166.8165.600000110.3D18 C19 P119G16-D18 PolarHBondContact O-N 2.73Å; G16-C19 CarbonylContact C-O 3.47Å; G16-C19 PolarHBondContact N-O 3.37Å; G16-P119 WeakPolarHBondContact O-CG 3.09Å
17K96.4Very high97.9Very high123 Ų12313.1 Ų13.154%0.5357%0.068SC..SBendtrans-76.3113.3174.6-175.7179.2-179.9179.50110.2C19 N157 M158K17-C19 PolarHBondContact O-N 2.96Å; K17-C19 PolarHBondContact O-SG 3.44Å; K17-N157 HydrophobicContact CB-CB 4.37Å; K17-N157 WeakPolarHBondContact CB-O 3.04Å; K17-M158 PolarHBondContact N-O 3.16Å
18D95.7Very high97.9Very high100 Ų10015 Ų1554%0.5358%0.076SC..SBendtrans55.217.1-179.4-55.9-51000114.5G16G16-D18 PolarHBondContact O-N 2.73Å
19C97.5Very high97.9Very high3 Ų314.9 Ų14.92%0.028%0.075CC..  trans-143.5159.1179.960.40000110.6G16 K17 P119 L163 L190 E191G16-C19 CarbonylContact C-O 3.47Å; G16-C19 PolarHBondContact N-O 3.37Å; K17-C19 PolarHBondContact O-N 2.96Å; K17-C19 PolarHBondContact O-SG 3.44Å; C19-P119 WeakPolarHBondContact O-CB 3.4Å; C19-L163 HydrophobicContact CB-CD2 4.47Å; C19-L190 VanDerWaalsContact CA-O 3.22Å; C19-L190 WeakPolarHBondContact CA-O 3.43Å; C19-L190 VanDerWaalsContact CB-O 3.25Å; C19-L190 WeakPolarHBondContact CB-O 3.29Å; C19-E191 HydrophobicContact CB-CG 4.39Å
20A98.3Very high97.9Very high0 Ų017.3 Ų17.30%09%0.089CC..EExtended strand (participates in β ladder)trans-140154.1173.800000108.9M14 P119 L190M14-A20 CarbonylContact O-C 3.56Å; M14-A20 WeakPolarHBondContact O-CA 3.29Å; A20-P119 HydrophobicContact CB-CB 4.07Å; A20-L190 HydrophobicContact CB-CB 4.48Å; A20-L190 HydrophobicContact CB-CD1 4.4Å; A20-L190 PolarHBondContact N-O 3.22Å; A20-L190 WeakPolarHBondContact O-CA 3.17Å; A20-L190 VanDerWaalsContact O-CB 3.3Å; A20-L190 WeakPolarHBondContact O-CB 3.24Å; A20-L190 PolarHBondContact O-N 2.91Å
21A98.6Very high97.7Very high0 Ų020.2 Ų20.20%011%0.105CC..EExtended strand (participates in β ladder)trans-131.1147.5176.200000110.4A13 M14 L163 I167 Y188 L189A13-A21 CarbonylContact C-O 3.51Å; A13-A21 WeakPolarHBondContact CA-O 3.34Å; M14-A21 PolarHBondContact N-O 2.77Å; M14-A21 PolarHBondContact O-N 2.9Å; A21-L163 HydrophobicContact CB-CD2 3.86Å; A21-L163 HydrophobicContact CB-CG 4.01Å; A21-I167 HydrophobicContact CB-CD1 3.7Å; A21-I167 HydrophobicContact CB-CG2 4.1Å; A21-Y188 VanDerWaalsContact CA-O 3.3Å; A21-Y188 WeakPolarHBondContact CA-O 3.23Å; A21-L189 HydrophobicContact CB-CD1 4.25Å
22I98.8Very high97.5Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-134.5136.3168.9-173.7168.7000109.1V11 I12 A13 V42 V108 A110 Y188V11-I22 HydrophobicContact CG1-CD1 4.07Å; V11-I22 HydrophobicContact CG1-CG1 3.97Å; I12-I22 CarbonylContact O-C 3.18Å; I12-I22 VanDerWaalsContact O-CA 3.29Å; I12-I22 WeakPolarHBondContact O-CA 3.28Å; I12-I22 WeakPolarHBondContact O-CG1 3.34Å; A13-I22 HydrophobicContact CB-CB 4.29Å; A13-I22 HydrophobicContact CB-CG1 4.26Å; I22-V42 HydrophobicContact CD1-CG1 4.2Å; I22-V42 HydrophobicContact CD1-CG2 4Å; I22-V42 HydrophobicContact CG1-CG1 4.48Å; I22-V42 HydrophobicContact CG1-CG2 3.98Å; I22-V42 HydrophobicContact CG2-CG1 3.94Å; I22-V108 HydrophobicContact CD1-CG1 4.2Å; I22-A110 HydrophobicContact CB-CB 3.71Å; I22-A110 HydrophobicContact CD1-CB 4.22Å; I22-A110 HydrophobicContact CG1-CB 4.44Å; I22-A110 HydrophobicContact CG2-CB 4.14Å; I22-Y188 HydrophobicContact CG2-CD2 4.24Å; I22-Y188 HydrophobicContact CG2-CG 4.32Å; I22-Y188 PolarHBondContact N-O 3.12Å; I22-Y188 PolarHBondContact O-N 3.13Å
23A98.6Very high97.4Very high0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans-133.8147-178.100000111.1V11 I12 I167 I171 R186 V187V11-A23 VanDerWaalsContact CA-O 3.28Å; V11-A23 WeakPolarHBondContact CA-O 3.11Å; V11-A23 WeakPolarHBondContact CG1-O 3.32Å; I12-A23 PolarHBondContact N-O 3.49Å; I12-A23 PolarHBondContact O-N 3.18Å; A23-I167 HydrophobicContact CB-CD1 3.72Å; A23-I167 HydrophobicContact CB-CG1 3.9Å; A23-I171 HydrophobicContact CB-CD1 3.64Å; A23-I171 HydrophobicContact CB-CG2 4.5Å; A23-R186 CarbonylContact C-O 3.58Å; A23-R186 WeakPolarHBondContact CA-O 3.38Å; A23-V187 HydrophobicContact CB-CB 4.44Å; A23-V187 HydrophobicContact CB-CG2 3.91Å
24C98.4Very high97.4Very high0 Ų034.7 Ų34.70%018%0.179CC..EExtended strand (participates in β ladder)trans-140.8158.9172.873.30000112.4A10 V11 K41 V42 A185 R186A10-C24 WeakPolarHBondContact O-CA 3.47Å; A10-C24 WeakPolarHBondContact O-CB 3.2Å; V11-C24 HydrophobicContact CG2-CB 3.9Å; C24-K41 HydrophobicContact CB-CB 4.15Å; C24-K41 HydrophobicContact CB-CD 4.48Å; C24-K41 PolarHBondContact SG-N 3.2Å; C24-V42 HydrophobicContact CB-CG2 3.83Å; C24-A185 CarbonylContact O-C 3.51Å; C24-A185 VanDerWaalsContact O-CA 3.26Å; C24-A185 WeakPolarHBondContact O-CA 3.32Å; C24-R186 PolarHBondContact N-O 3.2Å; C24-R186 PolarHBondContact O-N 2.67Å
25D98.1Very high97.3Very high0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-76164.4166.580.1-55.6000111.8S9 A10 R27 K41 L175 G182 G184S9-D25 WeakPolarHBondContact CA-OD1 3.26Å; A10-D25 PolarHBondContact N-OD1 2.72Å; A10-D25 PolarHBondContact O-N 3.45Å; D25-R27 WeakPolarHBondContact OD2-CB 3.45Å; D25-R27 PolarHBondContact OD2-N 2.83Å; D25-K41 PolarHBondContact O-NZ 3.21Å; D25-K41 WeakPolarHBondContact OD1-CD 3.22Å; D25-K41 VanDerWaalsContact OD1-CE 3.23Å; D25-K41 WeakPolarHBondContact OD1-CE 3.41Å; D25-K41 IonicContact OD1-NZ 2.7Å; D25-K41 PolarHBondContact OD1-NZ 3.02Å; D25-K41 IonicContact OD2-NZ 3.73Å; D25-K41 PolarHBondContact OD2-NZ 2.74Å; D25-L175 HydrophobicContact CB-CD1 3.73Å; D25-L175 HydrophobicContact CB-CD2 3.71Å; D25-L175 HydrophobicContact CB-CG 4.39Å; D25-G182 PolarHBondContact OD2-N 3.43Å; D25-G182 VanDerWaalsContact OD2-N 3.12Å; D25-G184 CarbonylContact C-O 3.57Å; D25-G184 VanDerWaalsContact CA-O 3.31Å; D25-G184 WeakPolarHBondContact CA-O 3.4Å
26L97.8Very high97.2Very high12 Ų1240 Ų406%0.06321%0.208CC..  trans-110.6-0.7-173.5-62.1-177.3000114.3F28 T37 D38 F39 G182 G184 R186L26-F28 PolarHBondContact O-N 2.88Å; L26-T37 WeakPolarHBondContact CB-O 3.45Å; L26-T37 CarbonylContact O-C 3.51Å; L26-T37 WeakPolarHBondContact O-CA 3.5Å; L26-D38 PolarHBondContact O-N 3.39Å; L26-D38 VanDerWaalsContact O-N 3.16Å; L26-F39 PolarHBondContact O-N 2.84Å; L26-G182 PolarHBondContact N-O 3.15Å; L26-G184 PolarHBondContact N-O 2.94Å; L26-R186 HydrophobicContact CD2-CB 4Å
27R97.7Very high97.2Very high1 Ų142.5 Ų42.50%0.00422%0.221CC..  trans-67.5133.4178-167.6-157.4-176.6-120-4.4111.4N7 D25 N31 L32 T34 K41 V180 G182 W183N7-R27 PolarHBondContact O-NH1 2.95Å; N7-R27 VanDerWaalsContact O-NH1 3.08Å; D25-R27 WeakPolarHBondContact OD2-CB 3.45Å; D25-R27 PolarHBondContact OD2-N 2.83Å; R27-N31 PolarHBondContact NH1-O 3.3Å; R27-N31 PolarHBondContact NH2-O 3.06Å; R27-L32 PolarHBondContact NH2-O 2.83Å; R27-T34 HydrophobicContact CG-CG2 3.92Å; R27-T34 PolarHBondContact NE-OG1 3.39Å; R27-T34 VanDerWaalsContact NE-OG1 3.07Å; R27-T34 PolarHBondContact NH2-OG1 3.02Å; R27-K41 PolarHBondContact O-NZ 2.98Å; R27-V180 WeakPolarHBondContact CD-O 2.84Å; R27-V180 PolarHBondContact NH1-O 2.87Å; R27-G182 PolarHBondContact N-O 3.4Å; R27-G182 VanDerWaalsContact N-O 3.1Å; R27-W183 HydrophobicContact CB-CB 4.27Å; R27-W183 HydrophobicContact CB-CD2 4.28Å; R27-W183 HydrophobicContact CB-CE3 3.66Å; R27-W183 HydrophobicContact CB-CZ3 4.43Å; R27-W183 HydrophobicContact CG-CD2 3.86Å; R27-W183 HydrophobicContact CG-CE3 3.32Å; R27-W183 HydrophobicContact CG-CG 4.44Å; R27-W183 HydrophobicContact CG-CZ3 3.79Å
28F97.7Very high97.2Very high51 Ų5142.3 Ų42.322%0.22423%0.226CC..EExtended strand (participates in β ladder)trans-114.9119.7155.6171.6-125.2000108.7L26 I35 S36 F39 A57L26-F28 PolarHBondContact O-N 2.88Å; F28-I35 HydrophobicContact CD1-CB 3.67Å; F28-I35 HydrophobicContact CD1-CD1 4.24Å; F28-I35 HydrophobicContact CD1-CG2 3.75Å; F28-I35 HydrophobicContact CE1-CB 3.92Å; F28-I35 HydrophobicContact CE1-CD1 3.68Å; F28-I35 HydrophobicContact CE1-CG1 4.39Å; F28-I35 HydrophobicContact CE1-CG2 3.77Å; F28-I35 HydrophobicContact CZ-CD1 4.04Å; F28-I35 WeakPolarHBondContact O-CA 3.05Å; F28-I35 PolarHBondContact O-N 2.96Å; F28-S36 PolarHBondContact N-O 3.01Å; F28-S36 PolarHBondContact O-N 2.8Å; F28-F39 HydrophobicContact CB-CB 3.53Å; F28-F39 HydrophobicContact CB-CD1 4.32Å; F28-F39 HydrophobicContact CB-CD2 4.32Å; F28-F39 HydrophobicContact CB-CG 3.82Å; F28-F39 HydrophobicContact CG-CG 4.4Å; F28-A57 HydrophobicContact CD2-CB 4.26Å; F28-A57 HydrophobicContact CE2-CB 3.8Å
29G96.6Very high97.2Very high0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-131166.8177.700000113.1N7 Q33N7-G29 VanDerWaalsContact CA-O 3.3Å; N7-G29 WeakPolarHBondContact CA-O 3.4Å; N7-G29 PolarHBondContact ND2-O 2.87Å; G29-Q33 CarbonylContact C-O 3.41Å; G29-Q33 WeakPolarHBondContact CA-O 3.5Å
30V96.6Very high97Very high53 Ų5340.6 Ų40.632%0.32122%0.216SC..EExtended strand (participates in β ladder)trans-119.1107.5164.1167.80000106.6L32 Q33 I35V30-L32 PolarHBondContact O-N 3.1Å; V30-Q33 PolarHBondContact N-O 3.47Å; V30-Q33 PolarHBondContact O-N 3.36Å; V30-I35 HydrophobicContact CB-CD1 4.04Å; V30-I35 HydrophobicContact CG2-CD1 3.43Å; V30-I35 VanDerWaalsContact CG2-CD1 3.43Å
31N94.2Very high97Very high60 Ų6040.9 Ų40.932%0.32122%0.217SC..THydrogen-bonded Turntrans52-122.3-166.2-59.8-52.8000110.2M1 H6 R27M1-N31 HydrophobicContact CE-CB 3.76Å; M1-N31 HydrophobicContact SD-CB 4.29Å; H6-N31 PolarHBondContact ND1-OD1 3.37Å; H6-N31 WeakPolarHBondContact O-CA 3.24Å; H6-N31 PolarHBondContact O-N 3.07Å; R27-N31 PolarHBondContact NH1-O 3.3Å; R27-N31 PolarHBondContact NH2-O 3.06Å
32L95.2Very high96.9Very high122 Ų12241 Ų4164%0.63922%0.217SC*.THydrogen-bonded Turntrans-84.1-11.3-179.1-58.4179.3000113.5M1 R27 V30 T34 V180M1-L32 HydrophobicContact CE-CD2 4.44Å; M1-L32 HydrophobicContact CE-CG 4.21Å; R27-L32 PolarHBondContact NH2-O 2.83Å; V30-L32 PolarHBondContact O-N 3.1Å; L32-T34 PolarHBondContact O-N 3.29Å; L32-V180 HydrophobicContact CD2-CG1 3.92Å
33Q96.7Very high96.9Very high142 Ų14242.7 Ų42.766%0.66422%0.224SC*.EExtended strand (participates in β ladder)trans-83.8113.9178.1-174.5177.313.900110G29 V30G29-Q33 CarbonylContact C-O 3.41Å; G29-Q33 WeakPolarHBondContact CA-O 3.5Å; V30-Q33 PolarHBondContact N-O 3.47Å; V30-Q33 PolarHBondContact O-N 3.36Å
34T97.3Very high96.8Very high41 Ų4145.9 Ų45.925%0.25225%0.245SC..EExtended strand (participates in β ladder)trans-74.6128.7170.8-59.10000109.7R27 L32 T37 W183R27-T34 HydrophobicContact CG-CG2 3.92Å; R27-T34 PolarHBondContact NE-OG1 3.39Å; R27-T34 VanDerWaalsContact NE-OG1 3.07Å; R27-T34 PolarHBondContact NH2-OG1 3.02Å; L32-T34 PolarHBondContact O-N 3.29Å; T34-T37 HydrophobicContact CG2-CG2 4.16Å; T34-W183 HydrophobicContact CG2-CD2 4.2Å; T34-W183 HydrophobicContact CG2-CG 4.36Å; T34-W183 HydrophobicContact CG2-CZ2 4.47Å; T34-W183 WeakPolarHBondContact OG1-CH2 3.37Å; T34-W183 WeakPolarHBondContact OG1-CZ2 3.16Å
35I97.5Very high96.7Very high94 Ų9446.1 Ų46.148%0.48225%0.246SC..EExtended strand (participates in β ladder)trans-99.9-46.1179.7-62.9176.2000110.4F28 V30F28-I35 HydrophobicContact CD1-CB 3.67Å; F28-I35 HydrophobicContact CD1-CD1 4.24Å; F28-I35 HydrophobicContact CD1-CG2 3.75Å; F28-I35 HydrophobicContact CE1-CB 3.92Å; F28-I35 HydrophobicContact CE1-CD1 3.68Å; F28-I35 HydrophobicContact CE1-CG1 4.39Å; F28-I35 HydrophobicContact CE1-CG2 3.77Å; F28-I35 HydrophobicContact CZ-CD1 4.04Å; F28-I35 WeakPolarHBondContact O-CA 3.05Å; F28-I35 PolarHBondContact O-N 2.96Å; V30-I35 HydrophobicContact CB-CD1 4.04Å; V30-I35 HydrophobicContact CG2-CD1 3.43Å; V30-I35 VanDerWaalsContact CG2-CD1 3.43Å
36S96.9Very high96.4Very high30 Ų3047 Ų4721%0.2126%0.255CS..EExtended strand (participates in β ladder)trans-145.5165.1175.9920000112.1F28 D38F28-S36 PolarHBondContact N-O 3.01Å; F28-S36 PolarHBondContact O-N 2.8Å; S36-D38 VanDerWaalsContact CB-OD1 3.23Å; S36-D38 WeakPolarHBondContact CB-OD1 3.19Å; S36-D38 PolarHBondContact OG-OD1 2.77Å
37T96.7Very high96.2Very high60 Ų6051.4 Ų51.437%0.36829%0.285SS..SBendtrans-125.622.3-174.364.70000112L26 T34 W183 M204L26-T37 WeakPolarHBondContact CB-O 3.45Å; L26-T37 CarbonylContact O-C 3.51Å; L26-T37 WeakPolarHBondContact O-CA 3.5Å; T34-T37 HydrophobicContact CG2-CG2 4.16Å; T37-W183 HydrophobicContact CG2-CB 3.68Å; T37-W183 VanDerWaalsContact CG2-CD1 3.47Å; T37-W183 HydrophobicContact CG2-CG 3.77Å; T37-M204 HydrophobicContact CG2-CE 4.11Å
38D95.9Very high96Very high119 Ų11953.5 Ų53.564%0.63629%0.293SS*.  trans-135.817-173.563.6-18000112.3L26 S36 T40L26-D38 PolarHBondContact O-N 3.39Å; L26-D38 VanDerWaalsContact O-N 3.16Å; S36-D38 VanDerWaalsContact CB-OD1 3.23Å; S36-D38 WeakPolarHBondContact CB-OD1 3.19Å; S36-D38 PolarHBondContact OG-OD1 2.77Å; D38-T40 PolarHBondContact O-N 2.92Å
39F96.2Very high96Very high38 Ų3851.5 Ų51.517%0.16728%0.284CS..  trans-9094.1-177.5-170.5-94.8000110.9L26 F28 K41L26-F39 PolarHBondContact O-N 2.84Å; F28-F39 HydrophobicContact CB-CB 3.53Å; F28-F39 HydrophobicContact CB-CD1 4.32Å; F28-F39 HydrophobicContact CB-CD2 4.32Å; F28-F39 HydrophobicContact CB-CG 3.82Å; F28-F39 HydrophobicContact CG-CG 4.4Å; F39-K41 HydrophobicContact CD1-CG 4.11Å; F39-K41 HydrophobicContact CE1-CG 4.2Å
40T94.3Very high96.1Very high29 Ų2952.6 Ų52.618%0.17829%0.289CS..  trans-71.1143.3172.1-166.60000111.1D38 V42 Y43 Y188D38-T40 PolarHBondContact O-N 2.92Å; T40-V42 PolarHBondContact OG1-N 3.26Å; T40-Y43 PolarHBondContact O-OH 3.25Å; T40-Y188 PolarHBondContact OG1-OH 3.48Å
41K96.3Very high96.2Very high6 Ų650.1 Ų50.13%0.02627%0.273CS..  trans-107.1-1.3-180-62158.5176.198.70112.1S9 V11 C24 D25 R27 F39 Y43 G52 F53S9-K41 WeakPolarHBondContact OG-CD 3.25Å; S9-K41 WeakPolarHBondContact OG-CE 3.3Å; V11-K41 HydrophobicContact CG2-CB 4.28Å; C24-K41 HydrophobicContact CB-CB 4.15Å; C24-K41 HydrophobicContact CB-CD 4.48Å; C24-K41 PolarHBondContact SG-N 3.2Å; D25-K41 PolarHBondContact O-NZ 3.21Å; D25-K41 WeakPolarHBondContact OD1-CD 3.22Å; D25-K41 VanDerWaalsContact OD1-CE 3.23Å; D25-K41 WeakPolarHBondContact OD1-CE 3.41Å; D25-K41 IonicContact OD1-NZ 2.7Å; D25-K41 PolarHBondContact OD1-NZ 3.02Å; D25-K41 IonicContact OD2-NZ 3.73Å; D25-K41 PolarHBondContact OD2-NZ 2.74Å; R27-K41 PolarHBondContact O-NZ 2.98Å; F39-K41 HydrophobicContact CD1-CG 4.11Å; F39-K41 HydrophobicContact CE1-CG 4.2Å; K41-Y43 WeakPolarHBondContact O-CE2 3.39Å; K41-G52 CarbonylContact O-C 3.52Å; K41-G52 VanDerWaalsContact O-CA 3.22Å; K41-G52 WeakPolarHBondContact O-CA 3.42Å; K41-F53 PolarHBondContact O-N 3.29Å
42V98.2Very high96.4Very high2 Ų247.2 Ų47.21%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-108.5129.5-176.6175.40000109.3V11 I22 C24 T40 Y50 V51 Y188V11-V42 HydrophobicContact CG1-CG2 4.5Å; I22-V42 HydrophobicContact CD1-CG1 4.2Å; I22-V42 HydrophobicContact CD1-CG2 4Å; I22-V42 HydrophobicContact CG1-CG1 4.48Å; I22-V42 HydrophobicContact CG1-CG2 3.98Å; I22-V42 HydrophobicContact CG2-CG1 3.94Å; C24-V42 HydrophobicContact CB-CG2 3.83Å; T40-V42 PolarHBondContact OG1-N 3.26Å; V42-Y50 HydrophobicContact CG1-CD1 3.8Å; V42-Y50 HydrophobicContact CG1-CG 4.31Å; V42-V51 CarbonylContact C-O 3.59Å; V42-V51 VanDerWaalsContact CA-O 3.29Å; V42-V51 WeakPolarHBondContact CA-O 3.4Å; V42-Y188 HydrophobicContact CB-CD2 4.16Å; V42-Y188 HydrophobicContact CB-CE2 3.62Å; V42-Y188 HydrophobicContact CG1-CD2 3.78Å; V42-Y188 HydrophobicContact CG1-CE2 3.64Å; V42-Y188 HydrophobicContact CG1-CG 4.35Å; V42-Y188 HydrophobicContact CG2-CE2 4.26Å
43Y97.9Very high96.5Very high36 Ų3641.5 Ų41.514%0.14123%0.228CC..EExtended strand (participates in β ladder)trans-127143.3-176.4-53.3-86000111.3T40 K41 Y50 V51 F53 N60 F64T40-Y43 PolarHBondContact O-OH 3.25Å; K41-Y43 WeakPolarHBondContact O-CE2 3.39Å; Y43-Y50 WeakPolarHBondContact O-CA 3.33Å; Y43-V51 PolarHBondContact N-O 3.33Å; Y43-V51 PolarHBondContact O-N 3.47Å; Y43-F53 AromaticContact CD2-CD2 3.73Å; Y43-F53 HydrophobicContact CD2-CD2 3.73Å; Y43-F53 HydrophobicContact CD2-CE2 4.18Å; Y43-F53 AromaticContact CE2-CD2 3.9Å; Y43-F53 HydrophobicContact CE2-CD2 3.9Å; Y43-N60 WeakPolarHBondContact CE2-OD1 3.45Å; Y43-N60 PolarHBondContact OH-OD1 2.84Å; Y43-F64 HydrophobicContact CD1-CD1 4.06Å; Y43-F64 AromaticContact CD1-CE1 3.92Å; Y43-F64 HydrophobicContact CD1-CE1 3.92Å; Y43-F64 HydrophobicContact CD1-CE2 4.47Å; Y43-F64 HydrophobicContact CD1-CG 4.39Å; Y43-F64 HydrophobicContact CD1-CZ 4.12Å; Y43-F64 HydrophobicContact CD2-CD2 4.19Å; Y43-F64 HydrophobicContact CD2-CG 4.2Å; Y43-F64 HydrophobicContact CG-CD1 4.14Å; Y43-F64 AromaticContact CG-CD2 3.89Å; Y43-F64 HydrophobicContact CG-CD2 3.89Å; Y43-F64 HydrophobicContact CG-CE1 4.13Å; Y43-F64 AromaticContact CG-CE2 3.9Å; Y43-F64 HydrophobicContact CG-CE2 3.9Å; Y43-F64 HydrophobicContact CG-CG 4.01Å; Y43-F64 HydrophobicContact CG-CZ 4Å
44P97Very high96.5Very high68 Ų6834.8 Ų34.844%0.44220%0.197SC..EExtended strand (participates in β ladder)trans-74.3133.5175.530.3-33.5000110.8Y50 Q68P44-Y50 HydrophobicContact CB-CD1 4.15Å; P44-Y50 HydrophobicContact CB-CE1 3.72Å; P44-Q68 PolarHBondContact O-NE2 2.78Å
45L96.1Very high96.5Very high4 Ų433.3 Ų33.32%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-109-21.8168.8-68.3165.7000111.5L49 V51 F64 L67 K71 I87L45-L49 HydrophobicContact CB-CD2 4.23Å; L45-L49 HydrophobicContact CB-CG 4.09Å; L45-L49 PolarHBondContact N-O 2.68Å; L45-V51 HydrophobicContact CD1-CB 3.58Å; L45-V51 HydrophobicContact CD1-CG1 3.44Å; L45-V51 VanDerWaalsContact CD1-CG1 3.44Å; L45-V51 HydrophobicContact CD2-CG1 4.19Å; L45-V51 HydrophobicContact CG-CB 4.35Å; L45-V51 HydrophobicContact CG-CG1 3.72Å; L45-F64 HydrophobicContact CD2-CE2 4.27Å; L45-L67 HydrophobicContact CD1-CD2 4.1Å; L45-L67 HydrophobicContact CD2-CD2 3.89Å; L45-L67 HydrophobicContact CD2-CG 4.24Å; L45-K71 WeakPolarHBondContact O-CD 3.35Å; L45-K71 WeakPolarHBondContact O-CE 3.17Å; L45-K71 PolarHBondContact O-NZ 2.94Å; L45-I87 HydrophobicContact CD1-CG1 4Å
46G92.5Very high96.5Very high19 Ų1930.1 Ų30.120%0.19617%0.173CC..EExtended strand (participates in β ladder)trans-164.5-174.8174.300000110.6R48 L49G46-R48 PolarHBondContact O-N 3.43Å; G46-R48 VanDerWaalsContact O-N 3.16Å; G46-L49 PolarHBondContact N-O 2.83Å; G46-L49 PolarHBondContact O-N 3.06Å
47P92.1Very high96.5Very high104 Ų10429.2 Ų29.268%0.67517%0.168SC*.THydrogen-bonded Turntrans-57.7-33.2-175.1-26.934.9000114.5V195P47-V195 VanDerWaalsContact O-CG2 3.28Å; P47-V195 WeakPolarHBondContact O-CG2 3.48Å
48R95.3Very high96.5Very high46 Ų4630.4 Ų30.417%0.17418%0.175CC..THydrogen-bonded Turntrans-137.139.3-179.3-62.7175.5-66.1174.16.6110.7G46 G111 I112 E191 K192 V195G46-R48 PolarHBondContact O-N 3.43Å; G46-R48 VanDerWaalsContact O-N 3.16Å; R48-G111 CarbonylContact O-C 3.58Å; R48-G111 WeakPolarHBondContact O-CA 3.44Å; R48-I112 HydrophobicContact CB-CB 4.3Å; R48-I112 PolarHBondContact O-N 3.07Å; R48-E191 WeakPolarHBondContact CD-O 3.48Å; R48-K192 WeakPolarHBondContact CD-O 3.38Å; R48-K192 PolarHBondContact NH1-O 3.44Å; R48-V195 HydrophobicContact CG-CG2 4.4Å
49L97.7Very high96.6Very high8 Ų825.8 Ų25.84%0.04215%0.15CC..EExtended strand (participates in β ladder)trans-146.2120.2-177.2-179.562.6000109.2L45 G46 I82 P84 I87 I109L45-L49 HydrophobicContact CB-CD2 4.23Å; L45-L49 HydrophobicContact CB-CG 4.09Å; L45-L49 PolarHBondContact N-O 2.68Å; G46-L49 PolarHBondContact N-O 2.83Å; G46-L49 PolarHBondContact O-N 3.06Å; L49-I82 HydrophobicContact CD2-CG2 4.05Å; L49-P84 HydrophobicContact CD1-CB 4.01Å; L49-P84 HydrophobicContact CD1-CG 4.17Å; L49-I87 HydrophobicContact CD1-CG2 4.23Å; L49-I87 HydrophobicContact CD2-CG2 3.82Å; L49-I87 HydrophobicContact CG-CG2 4.43Å; L49-I109 HydrophobicContact CD1-CG2 3.87Å
50Y98.4Very high96.5Very high24 Ų2424.1 Ų24.19%0.09414%0.143CC..EExtended strand (participates in β ladder)trans-131152.8-174.9-74.5-100.4000110.1V42 Y43 P44 A110 Y188 L190 V195V42-Y50 HydrophobicContact CG1-CD1 3.8Å; V42-Y50 HydrophobicContact CG1-CG 4.31Å; Y43-Y50 WeakPolarHBondContact O-CA 3.33Å; P44-Y50 HydrophobicContact CB-CD1 4.15Å; P44-Y50 HydrophobicContact CB-CE1 3.72Å; Y50-A110 PolarHBondContact N-O 3.32Å; Y50-A110 PolarHBondContact O-N 2.55Å; Y50-Y188 HydrophobicContact CD1-CD1 4.11Å; Y50-Y188 HydrophobicContact CD1-CE1 4.39Å; Y50-Y188 AromaticContact CE1-CD1 3.66Å; Y50-Y188 HydrophobicContact CE1-CD1 3.66Å; Y50-Y188 AromaticContact CE1-CE1 3.89Å; Y50-Y188 HydrophobicContact CE1-CE1 3.89Å; Y50-Y188 HydrophobicContact CE1-CG 4.47Å; Y50-L190 HydrophobicContact CD2-CD1 4.15Å; Y50-L190 HydrophobicContact CD2-CD2 3.49Å; Y50-L190 VanDerWaalsContact CD2-CD2 3.49Å; Y50-L190 HydrophobicContact CD2-CG 4.48Å; Y50-L190 HydrophobicContact CE2-CD2 3.52Å; Y50-V195 HydrophobicContact CE2-CG1 4.13Å; Y50-V195 HydrophobicContact CE2-CG2 4.32Å
51V98.5Very high96.6Very high0 Ų027.3 Ų27.30%016%0.156CC..EExtended strand (participates in β ladder)trans-130.1131.8173.961.10000109.8V42 Y43 L45 F53 F64 L91 P107 V108 I109V42-V51 CarbonylContact C-O 3.59Å; V42-V51 VanDerWaalsContact CA-O 3.29Å; V42-V51 WeakPolarHBondContact CA-O 3.4Å; Y43-V51 PolarHBondContact N-O 3.33Å; Y43-V51 PolarHBondContact O-N 3.47Å; L45-V51 HydrophobicContact CD1-CB 3.58Å; L45-V51 HydrophobicContact CD1-CG1 3.44Å; L45-V51 VanDerWaalsContact CD1-CG1 3.44Å; L45-V51 HydrophobicContact CD2-CG1 4.19Å; L45-V51 HydrophobicContact CG-CB 4.35Å; L45-V51 HydrophobicContact CG-CG1 3.72Å; V51-F53 HydrophobicContact CB-CE2 4.26Å; V51-F53 HydrophobicContact CB-CZ 4.32Å; V51-F53 HydrophobicContact CG1-CD2 4.28Å; V51-F53 HydrophobicContact CG1-CE2 3.45Å; V51-F53 VanDerWaalsContact CG1-CE2 3.45Å; V51-F53 HydrophobicContact CG1-CZ 3.81Å; V51-F53 HydrophobicContact CG2-CD1 4.37Å; V51-F53 HydrophobicContact CG2-CD2 4.33Å; V51-F53 HydrophobicContact CG2-CE1 3.84Å; V51-F53 HydrophobicContact CG2-CE2 3.78Å; V51-F53 HydrophobicContact CG2-CZ 3.5Å; V51-F64 HydrophobicContact CG1-CD2 4.43Å; V51-L91 HydrophobicContact CG2-CD2 4.23Å; V51-P107 HydrophobicContact CG2-CB 4.25Å; V51-V108 CarbonylContact C-O 3.53Å; V51-V108 VanDerWaalsContact CA-O 3.29Å; V51-V108 WeakPolarHBondContact CA-O 3.27Å; V51-I109 HydrophobicContact CB-CG1 4.44Å; V51-I109 HydrophobicContact CG2-CG1 4.06Å
52G98.4Very high96.6Very high0 Ų029.2 Ų29.20%017%0.168CC..EExtended strand (participates in β ladder)trans-98.8140.3167.900000111.2K41 P54 P107 V108K41-G52 CarbonylContact O-C 3.52Å; K41-G52 VanDerWaalsContact O-CA 3.22Å; K41-G52 WeakPolarHBondContact O-CA 3.42Å; G52-P54 WeakPolarHBondContact O-CD 3.38Å; G52-P107 CarbonylContact O-C 3.47Å; G52-P107 VanDerWaalsContact O-CA 3.29Å; G52-P107 WeakPolarHBondContact O-CA 3.43Å; G52-V108 PolarHBondContact N-O 3.04Å; G52-V108 PolarHBondContact O-N 2.87Å
53F97.7Very high96.6Very high1 Ų129.1 Ų29.10%0.00417%0.168CC..  trans-123.281.2177.6-68.7-69.2000111.3K41 Y43 V51 N60 V63 F64 L67 L91 V105 P107K41-F53 PolarHBondContact O-N 3.29Å; Y43-F53 AromaticContact CD2-CD2 3.73Å; Y43-F53 HydrophobicContact CD2-CD2 3.73Å; Y43-F53 HydrophobicContact CD2-CE2 4.18Å; Y43-F53 AromaticContact CE2-CD2 3.9Å; Y43-F53 HydrophobicContact CE2-CD2 3.9Å; V51-F53 HydrophobicContact CB-CE2 4.26Å; V51-F53 HydrophobicContact CB-CZ 4.32Å; V51-F53 HydrophobicContact CG1-CD2 4.28Å; V51-F53 HydrophobicContact CG1-CE2 3.45Å; V51-F53 VanDerWaalsContact CG1-CE2 3.45Å; V51-F53 HydrophobicContact CG1-CZ 3.81Å; V51-F53 HydrophobicContact CG2-CD1 4.37Å; V51-F53 HydrophobicContact CG2-CD2 4.33Å; V51-F53 HydrophobicContact CG2-CE1 3.84Å; V51-F53 HydrophobicContact CG2-CE2 3.78Å; V51-F53 HydrophobicContact CG2-CZ 3.5Å; F53-N60 HydrophobicContact CB-CB 3.8Å; F53-N60 WeakPolarHBondContact CB-OD1 3.05Å; F53-N60 PolarHBondContact O-ND2 3.5Å; F53-V63 HydrophobicContact CD1-CG1 4.24Å; F53-V63 HydrophobicContact CE1-CB 4.33Å; F53-V63 HydrophobicContact CE1-CG1 3.51Å; F53-V63 HydrophobicContact CZ-CG1 3.91Å; F53-F64 HydrophobicContact CD2-CB 4.14Å; F53-F64 HydrophobicContact CE2-CB 3.66Å; F53-F64 AromaticContact CE2-CD2 4Å; F53-F64 HydrophobicContact CE2-CD2 4Å; F53-F64 HydrophobicContact CE2-CG 4.26Å; F53-F64 HydrophobicContact CZ-CB 4.44Å; F53-L67 HydrophobicContact CZ-CD2 4.12Å; F53-L91 HydrophobicContact CE1-CD1 4.34Å; F53-L91 HydrophobicContact CE1-CD2 4.06Å; F53-L91 HydrophobicContact CZ-CD2 4.39Å; F53-V105 HydrophobicContact CD1-CB 4.43Å; F53-V105 HydrophobicContact CD1-CG2 4.38Å; F53-P107 HydrophobicContact CD1-CB 3.91Å; F53-P107 HydrophobicContact CD1-CG 3.78Å; F53-P107 HydrophobicContact CE1-CB 3.82Å; F53-P107 HydrophobicContact CE1-CG 3.69Å
54P96.9Very high96.6Very high2 Ų229.2 Ų29.21%0.01317%0.169CC..  trans-6914916730.1-33.5000111.4S9 V11 G52 V105 E106 S139S9-P54 WeakPolarHBondContact OG-CA 3.45Å; S9-P54 WeakPolarHBondContact OG-CB 3.07Å; V11-P54 HydrophobicContact CB-CG 4.37Å; V11-P54 HydrophobicContact CG2-CB 4.14Å; V11-P54 HydrophobicContact CG2-CG 4.2Å; G52-P54 WeakPolarHBondContact O-CD 3.38Å; P54-V105 VanDerWaalsContact O-CA 3.27Å; P54-V105 WeakPolarHBondContact O-CA 3.39Å; P54-E106 WeakPolarHBondContact CD-O 3.49Å; P54-E106 HydrophobicContact CG-CB 4.37Å; P54-E106 WeakPolarHBondContact CG-O 3.47Å; P54-E106 PolarHBondContact O-N 2.88Å; P54-S139 WeakPolarHBondContact CG-OG 3.35Å
55G96.4Very high96.7Very high9 Ų932.3 Ų32.39%0.09318%0.177CC..BIsolated β-bridgetrans123.5-143.1178.900000113.2A57 F104G55-A57 PolarHBondContact O-N 2.82Å; G55-F104 WeakPolarHBondContact CA-O 3.43Å
56L97.3Very high96.7Very high27 Ų2737 Ų3714%0.14120%0.195CC..  trans-72.6124.9-177.8-17170.8000110.8I3 H6 N7 T58 D59 N60 F104I3-L56 HydrophobicContact CG2-CD1 4.3Å; I3-L56 HydrophobicContact CG2-CD2 4.2Å; H6-L56 HydrophobicContact CB-CD1 4.31Å; N7-L56 WeakPolarHBondContact OD1-CD1 3.2Å; L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 WeakPolarHBondContact CD2-OG1 3.36Å; L56-T58 WeakPolarHBondContact CG-OG1 3.38Å; L56-T58 PolarHBondContact O-N 3.46Å; L56-D59 HydrophobicContact CB-CB 4.39Å; L56-D59 PolarHBondContact O-N 3.04Å; L56-D59 VanDerWaalsContact O-N 3.08Å; L56-N60 PolarHBondContact O-N 2.86Å; L56-F104 HydrophobicContact CB-CB 3.75Å; L56-F104 HydrophobicContact CD2-CB 4.29Å; L56-F104 HydrophobicContact CD2-CD2 4.15Å; L56-F104 PolarHBondContact N-O 2.81Å
57A96.7Very high97Very high12 Ų1236.1 Ų36.110%0.09919%0.186CC..Hα-helixtrans-62.2-32.1-173.100000113.5N7 F28 G55 D59 Q61N7-A57 HydrophobicContact CB-CB 4.3Å; N7-A57 WeakPolarHBondContact OD1-CB 3.27Å; N7-A57 PolarHBondContact OD1-N 3.42Å; F28-A57 HydrophobicContact CD2-CB 4.26Å; F28-A57 HydrophobicContact CE2-CB 3.8Å; G55-A57 PolarHBondContact O-N 2.82Å; A57-D59 VanDerWaalsContact C-N 3.34Å; A57-Q61 PolarHBondContact O-N 3.26Å
58T97.5Very high97.2Very high84 Ų8433.2 Ų33.252%0.51516%0.163SC..Hα-helixtrans-64.4-41.1176.255.20000111.8L56 T62L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 WeakPolarHBondContact CD2-OG1 3.36Å; L56-T58 WeakPolarHBondContact CG-OG1 3.38Å; L56-T58 PolarHBondContact O-N 3.46Å; T58-T62 WeakPolarHBondContact O-CB 3.29Å; T58-T62 PolarHBondContact O-N 3.26Å; T58-T62 PolarHBondContact O-OG1 2.98Å
59D97.5Very high97.3Very high23 Ų2337.9 Ų37.912%0.12319%0.185CC..Hα-helixtrans-79.5-34.5-175.5-72-0000110.7L56 A57 Q61 T62 V63 Y103 F104 V105L56-D59 HydrophobicContact CB-CB 4.39Å; L56-D59 PolarHBondContact O-N 3.04Å; L56-D59 VanDerWaalsContact O-N 3.08Å; A57-D59 VanDerWaalsContact C-N 3.34Å; D59-Q61 PolarHBondContact O-N 3.33Å; D59-T62 PolarHBondContact O-N 3.01Å; D59-V63 VanDerWaalsContact O-CB 3.26Å; D59-V63 WeakPolarHBondContact O-CB 3.29Å; D59-V63 VanDerWaalsContact O-CG2 3.25Å; D59-V63 WeakPolarHBondContact O-CG2 3.37Å; D59-V63 PolarHBondContact O-N 3.2Å; D59-Y103 HydrophobicContact CB-CD1 4.25Å; D59-Y103 WeakPolarHBondContact OD2-CA 3.28Å; D59-F104 PolarHBondContact OD2-N 2.96Å; D59-V105 HydrophobicContact CB-CG1 3.8Å
60N94.8Very high97.3Very high3 Ų340.8 Ų40.82%0.01620%0.195CC..Hα-helixtrans-49.8-57.9169.6172.1-18.5000110.8Y43 F53 L56 T62 V63 F64 V105Y43-N60 WeakPolarHBondContact CE2-OD1 3.45Å; Y43-N60 PolarHBondContact OH-OD1 2.84Å; F53-N60 HydrophobicContact CB-CB 3.8Å; F53-N60 WeakPolarHBondContact CB-OD1 3.05Å; F53-N60 PolarHBondContact O-ND2 3.5Å; L56-N60 PolarHBondContact O-N 2.86Å; N60-T62 VanDerWaalsContact C-N 3.34Å; N60-T62 PolarHBondContact O-N 3Å; N60-V63 PolarHBondContact O-N 3.3Å; N60-F64 WeakPolarHBondContact O-CB 3.43Å; N60-F64 PolarHBondContact O-N 2.97Å; N60-V105 HydrophobicContact CB-CG1 4.23Å
61Q95.2Very high97.3Very high96 Ų9640.5 Ų40.545%0.44919%0.194SC..Hα-helixtrans-62.1-42.3-179-66.9179.3-16.100112A57 D59 Q65A57-Q61 PolarHBondContact O-N 3.26Å; D59-Q61 PolarHBondContact O-N 3.33Å; Q61-Q65 VanDerWaalsContact O-CG 3.27Å; Q61-Q65 WeakPolarHBondContact O-CG 3.33Å; Q61-Q65 PolarHBondContact O-N 3.01Å
62T97.7Very high97.2Very high46 Ų4644.1 Ų44.128%0.28221%0.214SC..Hα-helixtrans-65.5-46.9-178.5-59.90000111.9T58 D59 N60 Q65 R66 Y103T58-T62 WeakPolarHBondContact O-CB 3.29Å; T58-T62 PolarHBondContact O-N 3.26Å; T58-T62 PolarHBondContact O-OG1 2.98Å; D59-T62 PolarHBondContact O-N 3.01Å; N60-T62 VanDerWaalsContact C-N 3.34Å; N60-T62 PolarHBondContact O-N 3Å; T62-Q65 PolarHBondContact O-N 3.06Å; T62-R66 WeakPolarHBondContact O-CG 3.3Å; T62-R66 PolarHBondContact O-N 2.92Å; T62-Y103 HydrophobicContact CG2-CE1 4.04Å
63V98.1Very high97.1Very high0 Ų047.4 Ų47.40%023%0.23CC..Hα-helixtrans-66.3-43.4-180171.20000110F53 D59 N60 Q65 R66 L67 L91 L94 L95 Y103 V105F53-V63 HydrophobicContact CD1-CG1 4.24Å; F53-V63 HydrophobicContact CE1-CB 4.33Å; F53-V63 HydrophobicContact CE1-CG1 3.51Å; F53-V63 HydrophobicContact CZ-CG1 3.91Å; D59-V63 VanDerWaalsContact O-CB 3.26Å; D59-V63 WeakPolarHBondContact O-CB 3.29Å; D59-V63 VanDerWaalsContact O-CG2 3.25Å; D59-V63 WeakPolarHBondContact O-CG2 3.37Å; D59-V63 PolarHBondContact O-N 3.2Å; N60-V63 PolarHBondContact O-N 3.3Å; V63-Q65 PolarHBondContact O-N 2.79Å; V63-R66 PolarHBondContact O-N 2.81Å; V63-L67 VanDerWaalsContact O-CB 3.27Å; V63-L67 WeakPolarHBondContact O-CB 3.29Å; V63-L67 PolarHBondContact O-N 2.98Å; V63-L91 HydrophobicContact CG1-CD1 3.68Å; V63-L94 HydrophobicContact CG1-CD2 3.9Å; V63-L94 HydrophobicContact CG2-CD2 4.31Å; V63-L95 HydrophobicContact CG1-CD2 4.5Å; V63-L95 HydrophobicContact CG2-CD2 4.42Å; V63-Y103 HydrophobicContact CG2-CD1 3.83Å; V63-Y103 HydrophobicContact CG2-CD2 3.6Å; V63-Y103 HydrophobicContact CG2-CE1 4.36Å; V63-Y103 HydrophobicContact CG2-CE2 4.14Å; V63-Y103 HydrophobicContact CG2-CG 3.43Å; V63-Y103 VanDerWaalsContact CG2-CG 3.43Å; V63-V105 HydrophobicContact CB-CG2 4.4Å; V63-V105 HydrophobicContact CG1-CG2 4.46Å; V63-V105 HydrophobicContact CG2-CG2 3.95Å
64F97.7Very high97.1Very high38 Ų3850.8 Ų50.817%0.16724%0.243CC..Hα-helixtrans-58.3-48175.8175.9-117.4000112.3Y43 L45 V51 F53 N60 R66 L67 Q68Y43-F64 HydrophobicContact CD1-CD1 4.06Å; Y43-F64 AromaticContact CD1-CE1 3.92Å; Y43-F64 HydrophobicContact CD1-CE1 3.92Å; Y43-F64 HydrophobicContact CD1-CE2 4.47Å; Y43-F64 HydrophobicContact CD1-CG 4.39Å; Y43-F64 HydrophobicContact CD1-CZ 4.12Å; Y43-F64 HydrophobicContact CD2-CD2 4.19Å; Y43-F64 HydrophobicContact CD2-CG 4.2Å; Y43-F64 HydrophobicContact CG-CD1 4.14Å; Y43-F64 AromaticContact CG-CD2 3.89Å; Y43-F64 HydrophobicContact CG-CD2 3.89Å; Y43-F64 HydrophobicContact CG-CE1 4.13Å; Y43-F64 AromaticContact CG-CE2 3.9Å; Y43-F64 HydrophobicContact CG-CE2 3.9Å; Y43-F64 HydrophobicContact CG-CG 4.01Å; Y43-F64 HydrophobicContact CG-CZ 4Å; L45-F64 HydrophobicContact CD2-CE2 4.27Å; V51-F64 HydrophobicContact CG1-CD2 4.43Å; F53-F64 HydrophobicContact CD2-CB 4.14Å; F53-F64 HydrophobicContact CE2-CB 3.66Å; F53-F64 AromaticContact CE2-CD2 4Å; F53-F64 HydrophobicContact CE2-CD2 4Å; F53-F64 HydrophobicContact CE2-CG 4.26Å; F53-F64 HydrophobicContact CZ-CB 4.44Å; N60-F64 WeakPolarHBondContact O-CB 3.43Å; N60-F64 PolarHBondContact O-N 2.97Å; F64-R66 PolarHBondContact O-N 3.3Å; F64-L67 PolarHBondContact O-N 2.79Å; F64-Q68 HydrophobicContact CD2-CG 3.98Å; F64-Q68 HydrophobicContact CE1-CG 4.13Å; F64-Q68 HydrophobicContact CE2-CG 3.47Å; F64-Q68 VanDerWaalsContact CE2-CG 3.47Å; F64-Q68 HydrophobicContact CZ-CG 3.58Å; F64-Q68 WeakPolarHBondContact O-CB 3.19Å; F64-Q68 WeakPolarHBondContact O-CG 3.47Å; F64-Q68 PolarHBondContact O-N 2.88Å
65Q97.6Very high97.1Very high132 Ų13252.8 Ų52.862%0.61725%0.252SS*.Hα-helixtrans-61.3-43.5178.8-73.3173.75.600112.1Q61 T62 V63 Q68 F69Q61-Q65 VanDerWaalsContact O-CG 3.27Å; Q61-Q65 WeakPolarHBondContact O-CG 3.33Å; Q61-Q65 PolarHBondContact O-N 3.01Å; T62-Q65 PolarHBondContact O-N 3.06Å; V63-Q65 PolarHBondContact O-N 2.79Å; Q65-Q68 PolarHBondContact O-N 2.85Å; Q65-F69 PolarHBondContact O-N 2.79Å
66R98.1Very high97.1Very high104 Ų10459 Ų5939%0.39228%0.283SS..Hα-helixtrans-66.6-39.7177.2-72.1178.5173.6-132.40.3112.2T62 V63 F64 F69 R70 L94 Y103T62-R66 WeakPolarHBondContact O-CG 3.3Å; T62-R66 PolarHBondContact O-N 2.92Å; V63-R66 PolarHBondContact O-N 2.81Å; F64-R66 PolarHBondContact O-N 3.3Å; R66-F69 PolarHBondContact O-N 3.49Å; R66-R70 WeakPolarHBondContact O-CG 3.39Å; R66-R70 PolarHBondContact O-N 3.16Å; R66-R70 VanDerWaalsContact O-N 3.13Å; R66-L94 HydrophobicContact CB-CD1 3.76Å; R66-Y103 PolarHBondContact NE-OH 3.06Å; R66-Y103 PolarHBondContact NH1-OH 3.48Å
67L97.9Very high97.1Very high0 Ų067 Ų670%031%0.311CS..Hα-helixtrans-64.1-46.4176.3-175.763.6000110.6L45 F53 V63 F64 F69 R70 K71 I87 M90 L91L45-L67 HydrophobicContact CD1-CD2 4.1Å; L45-L67 HydrophobicContact CD2-CD2 3.89Å; L45-L67 HydrophobicContact CD2-CG 4.24Å; F53-L67 HydrophobicContact CZ-CD2 4.12Å; V63-L67 VanDerWaalsContact O-CB 3.27Å; V63-L67 WeakPolarHBondContact O-CB 3.29Å; V63-L67 PolarHBondContact O-N 2.98Å; F64-L67 PolarHBondContact O-N 2.79Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 2.9Å; L67-R70 PolarHBondContact O-N 2.91Å; L67-K71 VanDerWaalsContact O-CB 3.24Å; L67-K71 WeakPolarHBondContact O-CB 3.23Å; L67-K71 PolarHBondContact O-N 3Å; L67-I87 HydrophobicContact CD1-CD1 3.64Å; L67-I87 HydrophobicContact CD1-CG1 4.12Å; L67-I87 HydrophobicContact CD2-CD1 4.41Å; L67-I87 HydrophobicContact CD2-CG1 4.31Å; L67-I87 HydrophobicContact CG-CD1 4.04Å; L67-I87 HydrophobicContact CG-CG1 4.46Å; L67-M90 HydrophobicContact CD1-CG 4.23Å; L67-M90 HydrophobicContact CD1-SD 4.17Å; L67-L91 HydrophobicContact CD1-CB 4.07Å; L67-L91 HydrophobicContact CD1-CD1 4.22Å; L67-L91 HydrophobicContact CD2-CD1 4.16Å; L67-L91 HydrophobicContact CD2-CD2 4.12Å
68Q96.8Very high97Very high43 Ų4371.3 Ų71.320%0.20133%0.329CS..Hα-helixtrans-59.4-41.8176.4-78-74.145.500112.3P44 F64 Q65 R70 K71 N72P44-Q68 PolarHBondContact O-NE2 2.78Å; F64-Q68 HydrophobicContact CD2-CG 3.98Å; F64-Q68 HydrophobicContact CE1-CG 4.13Å; F64-Q68 HydrophobicContact CE2-CG 3.47Å; F64-Q68 VanDerWaalsContact CE2-CG 3.47Å; F64-Q68 HydrophobicContact CZ-CG 3.58Å; F64-Q68 WeakPolarHBondContact O-CB 3.19Å; F64-Q68 WeakPolarHBondContact O-CG 3.47Å; F64-Q68 PolarHBondContact O-N 2.88Å; Q65-Q68 PolarHBondContact O-N 2.85Å; Q68-R70 PolarHBondContact O-N 2.85Å; Q68-K71 PolarHBondContact O-N 2.86Å; Q68-N72 WeakPolarHBondContact O-CB 3.44Å; Q68-N72 PolarHBondContact O-N 2.88Å; Q68-N72 PolarHBondContact O-ND2 3.2Å
69F97.7Very high96.8Very high143 Ų14374.4 Ų74.463%0.62734%0.342SS*.Hα-helixtrans-57.7-49.8174.4178.2-90.7000111.8Q65 R66 L67 M73Q65-F69 PolarHBondContact O-N 2.79Å; R66-F69 PolarHBondContact O-N 3.49Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 2.9Å; F69-M73 HydrophobicContact CE1-CG 4.17Å; F69-M73 HydrophobicContact CZ-CG 4.22Å; F69-M73 WeakPolarHBondContact O-CG 3.32Å; F69-M73 PolarHBondContact O-N 3.21Å; F69-M73 VanDerWaalsContact O-N 3.1Å
70R97.5Very high96.5Very high70 Ų7080.1 Ų80.126%0.26437%0.366SS..Hα-helixtrans-64.2-43.1178.9-68.5-177.6-177.9-153.4-5.6112.1R66 L67 Q68 M73 Y74 M90 E97R66-R70 WeakPolarHBondContact O-CG 3.39Å; R66-R70 PolarHBondContact O-N 3.16Å; R66-R70 VanDerWaalsContact O-N 3.13Å; L67-R70 PolarHBondContact O-N 2.91Å; Q68-R70 PolarHBondContact O-N 2.85Å; R70-M73 PolarHBondContact O-N 2.87Å; R70-Y74 WeakPolarHBondContact O-CB 3.38Å; R70-Y74 PolarHBondContact O-N 3.42Å; R70-M90 HydrophobicContact CB-CE 4.44Å; R70-M90 HydrophobicContact CB-CG 4.22Å; R70-M90 HydrophobicContact CB-SD 3.44Å; R70-M90 WeakPolarHBondContact CB-SD 3.48Å; R70-E97 IonicContact CZ-OE1 3.04Å; R70-E97 VanDerWaalsContact CZ-OE1 3.23Å; R70-E97 IonicContact CZ-OE2 2.84Å; R70-E97 IonicContact NH1-OE1 2.74Å; R70-E97 PolarHBondContact NH1-OE1 2.73Å; R70-E97 IonicContact NH1-OE2 3.23Å; R70-E97 IonicContact NH2-OE1 2.74Å; R70-E97 PolarHBondContact NH2-OE1 2.87Å; R70-E97 IonicContact NH2-OE2 3.87Å; R70-E97 PolarHBondContact NH2-OE2 2.75Å
71K97.2Very high96.4Very high17 Ų1783.3 Ų83.37%0.07439%0.386CS..Hα-helixtrans-61.2-49.1179.1-176.4-129156.3-154.20111.3L45 L67 Q68 M73 Y74 E75 I82 I87L45-K71 WeakPolarHBondContact O-CD 3.35Å; L45-K71 WeakPolarHBondContact O-CE 3.17Å; L45-K71 PolarHBondContact O-NZ 2.94Å; L67-K71 VanDerWaalsContact O-CB 3.24Å; L67-K71 WeakPolarHBondContact O-CB 3.23Å; L67-K71 PolarHBondContact O-N 3Å; Q68-K71 PolarHBondContact O-N 2.86Å; K71-M73 VanDerWaalsContact C-N 3.34Å; K71-M73 PolarHBondContact O-N 3.47Å; K71-Y74 WeakPolarHBondContact O-CB 3.42Å; K71-Y74 PolarHBondContact O-N 2.78Å; K71-Y74 VanDerWaalsContact O-N 3.15Å; K71-E75 WeakPolarHBondContact CE-OE1 3.5Å; K71-E75 WeakPolarHBondContact CE-OE2 3.19Å; K71-E75 IonicContact NZ-OE1 2.8Å; K71-E75 PolarHBondContact NZ-OE1 3.44Å; K71-E75 IonicContact NZ-OE2 3.72Å; K71-E75 PolarHBondContact NZ-OE2 3.07Å; K71-E75 WeakPolarHBondContact O-CG 3.33Å; K71-E75 PolarHBondContact O-N 2.66Å; K71-I82 HydrophobicContact CG-CD1 4.37Å; K71-I82 HydrophobicContact CG-CG2 4.01Å; K71-I87 HydrophobicContact CB-CD1 4Å; K71-I87 HydrophobicContact CG-CD1 4Å
72N96.6Very high96.4Very high77 Ų7778.9 Ų78.941%0.41237%0.365SS..Hα-helixtrans-62.7-41.1178.4-68.8-14.3000111.8Q68 Y74 E75 L76Q68-N72 WeakPolarHBondContact O-CB 3.44Å; Q68-N72 PolarHBondContact O-N 2.88Å; Q68-N72 PolarHBondContact O-ND2 3.2Å; N72-Y74 VanDerWaalsContact C-N 3.32Å; N72-Y74 PolarHBondContact O-N 2.87Å; N72-E75 PolarHBondContact O-N 3.09Å; N72-L76 WeakPolarHBondContact O-CB 3.36Å; N72-L76 VanDerWaalsContact O-CG 3.31Å; N72-L76 WeakPolarHBondContact O-CG 3.32Å; N72-L76 PolarHBondContact O-N 3.27Å
73M97.2Very high96.3Very high69 Ų6980.6 Ų80.634%0.3437%0.369SS..Hα-helixtrans-62.9-38.2174.6-74.4-59.2-53.200112.7F69 R70 K71 R77F69-M73 HydrophobicContact CE1-CG 4.17Å; F69-M73 HydrophobicContact CZ-CG 4.22Å; F69-M73 WeakPolarHBondContact O-CG 3.32Å; F69-M73 PolarHBondContact O-N 3.21Å; F69-M73 VanDerWaalsContact O-N 3.1Å; R70-M73 PolarHBondContact O-N 2.87Å; K71-M73 VanDerWaalsContact C-N 3.34Å; K71-M73 PolarHBondContact O-N 3.47Å; M73-R77 WeakPolarHBondContact O-CB 3.47Å; M73-R77 VanDerWaalsContact O-CG 3.26Å; M73-R77 WeakPolarHBondContact O-CG 3.43Å; M73-R77 PolarHBondContact O-N 3.08Å
74Y97.1Very high96.3Very high72 Ų7280.8 Ų80.828%0.28237%0.37SS..Hα-helixtrans-64.4-50.8175.5175.6-86.4000111.5R70 K71 N72 L76 R77 E78 I82 T86 M90R70-Y74 WeakPolarHBondContact O-CB 3.38Å; R70-Y74 PolarHBondContact O-N 3.42Å; K71-Y74 WeakPolarHBondContact O-CB 3.42Å; K71-Y74 PolarHBondContact O-N 2.78Å; K71-Y74 VanDerWaalsContact O-N 3.15Å; N72-Y74 VanDerWaalsContact C-N 3.32Å; N72-Y74 PolarHBondContact O-N 2.87Å; Y74-L76 VanDerWaalsContact C-N 3.32Å; Y74-L76 PolarHBondContact O-N 3.38Å; Y74-R77 PolarHBondContact O-N 3.42Å; Y74-E78 HydrophobicContact CD2-CG 4.21Å; Y74-E78 HydrophobicContact CE1-CB 4.42Å; Y74-E78 HydrophobicContact CE1-CG 4.28Å; Y74-E78 HydrophobicContact CE2-CG 3.88Å; Y74-E78 WeakPolarHBondContact O-CB 3.48Å; Y74-E78 PolarHBondContact O-N 2.98Å; Y74-I82 HydrophobicContact CD1-CB 4.15Å; Y74-I82 HydrophobicContact CD1-CD1 3.85Å; Y74-I82 HydrophobicContact CD1-CG1 4.07Å; Y74-I82 HydrophobicContact CE1-CB 4.16Å; Y74-I82 HydrophobicContact CE1-CD1 4.18Å; Y74-I82 HydrophobicContact CE1-CG1 3.97Å; Y74-I82 HydrophobicContact CG-CD1 4.24Å; Y74-T86 HydrophobicContact CE2-CG2 4.15Å; Y74-M90 HydrophobicContact CD2-CE 4.25Å; Y74-M90 HydrophobicContact CG-CE 4.14Å
75E95.6Very high96.2Very high44 Ų4482.5 Ų82.521%0.20638%0.378CS..Hα-helixtrans-63.3-37-177.9-67-170.9151.900112.3K71 N72 N79 K80 I82K71-E75 WeakPolarHBondContact CE-OE1 3.5Å; K71-E75 WeakPolarHBondContact CE-OE2 3.19Å; K71-E75 IonicContact NZ-OE1 2.8Å; K71-E75 PolarHBondContact NZ-OE1 3.44Å; K71-E75 IonicContact NZ-OE2 3.72Å; K71-E75 PolarHBondContact NZ-OE2 3.07Å; K71-E75 WeakPolarHBondContact O-CG 3.33Å; K71-E75 PolarHBondContact O-N 2.66Å; N72-E75 PolarHBondContact O-N 3.09Å; E75-N79 WeakPolarHBondContact O-CA 3.25Å; E75-N79 PolarHBondContact O-N 3.01Å; E75-K80 WeakPolarHBondContact CG-O 3.26Å; E75-I82 HydrophobicContact CG-CB 4.45Å; E75-I82 PolarHBondContact OE1-N 3.42Å; E75-I82 VanDerWaalsContact OE1-N 3.08Å
76L96.7Very high96.2Very high140 Ų14078.3 Ų78.373%0.73336%0.362SS*.Hα-helixtrans-67.1-38.2175-72.9172.8000113.1N72 Y74N72-L76 WeakPolarHBondContact O-CB 3.36Å; N72-L76 VanDerWaalsContact O-CG 3.31Å; N72-L76 WeakPolarHBondContact O-CG 3.32Å; N72-L76 PolarHBondContact O-N 3.27Å; Y74-L76 VanDerWaalsContact C-N 3.32Å; Y74-L76 PolarHBondContact O-N 3.38Å
77R97.1Very high96.1Very high193 Ų19373.4 Ų73.473%0.72834%0.344SS*.Hα-helixtrans-74.9-44.9-179-76.1175.8-180-178.30.9112.5M73 Y74M73-R77 WeakPolarHBondContact O-CB 3.47Å; M73-R77 VanDerWaalsContact O-CG 3.26Å; M73-R77 WeakPolarHBondContact O-CG 3.43Å; M73-R77 PolarHBondContact O-N 3.08Å; Y74-R77 PolarHBondContact O-N 3.42Å
78E95Very high96.1Very high103 Ų10373.4 Ų73.448%0.48134%0.344SS..Hα-helixtrans-87.1-12.9-176-64.8-60.314100112.8Y74 K80Y74-E78 HydrophobicContact CD2-CG 4.21Å; Y74-E78 HydrophobicContact CE1-CB 4.42Å; Y74-E78 HydrophobicContact CE1-CG 4.28Å; Y74-E78 HydrophobicContact CE2-CG 3.88Å; Y74-E78 WeakPolarHBondContact O-CB 3.48Å; Y74-E78 PolarHBondContact O-N 2.98Å; E78-K80 WeakPolarHBondContact O-CG 3.45Å; E78-K80 PolarHBondContact O-N 2.96Å
79N93.4Very high96.2Very high149 Ų14975.1 Ų75.180%0.79736%0.357SS*.THydrogen-bonded Turntrans50.840.1-174-16534.7000112.6E75E75-N79 WeakPolarHBondContact O-CA 3.25Å; E75-N79 PolarHBondContact O-N 3.01Å
80K91.9Very high96.2Very high143 Ų14369.7 Ų69.762%0.62233%0.334SS*.SBendtrans-144.4143.2-177.5-70.5174.6-170.4169.70110.2E75 E78E75-K80 WeakPolarHBondContact CG-O 3.26Å; E78-K80 WeakPolarHBondContact O-CG 3.45Å; E78-K80 PolarHBondContact O-N 2.96Å
81T92.9Very high96.2Very high70 Ų7066.3 Ų66.343%0.42932%0.321SS..PPolyproline II helixtrans-62.3135.1171-48.90000110.1H114T81-H114 PolarHBondContact O-CE1 3.07Å
82I95Very high96.3Very high4 Ų466.6 Ų66.62%0.02133%0.326CS..PPolyproline II helixtrans-65.7143.9180-163.7156.1000111.6L49 K71 Y74 E75 T86 I87 M90L49-I82 HydrophobicContact CD2-CG2 4.05Å; K71-I82 HydrophobicContact CG-CD1 4.37Å; K71-I82 HydrophobicContact CG-CG2 4.01Å; Y74-I82 HydrophobicContact CD1-CB 4.15Å; Y74-I82 HydrophobicContact CD1-CD1 3.85Å; Y74-I82 HydrophobicContact CD1-CG1 4.07Å; Y74-I82 HydrophobicContact CE1-CB 4.16Å; Y74-I82 HydrophobicContact CE1-CD1 4.18Å; Y74-I82 HydrophobicContact CE1-CG1 3.97Å; Y74-I82 HydrophobicContact CG-CD1 4.24Å; E75-I82 HydrophobicContact CG-CB 4.45Å; E75-I82 PolarHBondContact OE1-N 3.42Å; E75-I82 VanDerWaalsContact OE1-N 3.08Å; I82-T86 HydrophobicContact CD1-CG2 4.08Å; I82-T86 HydrophobicContact CG1-CG2 3.98Å; I82-I87 HydrophobicContact CD1-CB 4.08Å; I82-I87 HydrophobicContact CD1-CD1 3.72Å; I82-I87 HydrophobicContact CG1-CB 4.3Å; I82-M90 HydrophobicContact CD1-CE 3.71Å; I82-M90 HydrophobicContact CD1-SD 4.46Å
83K95.5Very high96.3Very high82 Ų8267.1 Ų67.136%0.35733%0.328SS..PPolyproline II helixtrans-86.2151.8173.8-67.1-175.1174.4-169.50111.1Q85 T86 I87K83-Q85 PolarHBondContact O-N 2.7Å; K83-T86 WeakPolarHBondContact O-CB 3.46Å; K83-T86 PolarHBondContact O-N 2.84Å; K83-T86 VanDerWaalsContact O-N 3.1Å; K83-I87 PolarHBondContact O-N 2.74Å
84P97.1Very high96.4Very high3 Ų364 Ų642%0.01931%0.313CS..Hα-helixtrans-52.9-48177.7-25.734000113.3L49 T86 I87 T88 D113 Y120L49-P84 HydrophobicContact CD1-CB 4.01Å; L49-P84 HydrophobicContact CD1-CG 4.17Å; P84-T86 VanDerWaalsContact C-N 3.31Å; P84-T86 PolarHBondContact O-N 3.07Å; P84-I87 WeakPolarHBondContact O-CG2 3.41Å; P84-I87 PolarHBondContact O-N 3.43Å; P84-T88 PolarHBondContact O-N 3.42Å; P84-T88 PolarHBondContact O-OG1 2.95Å; P84-D113 HydrophobicContact CG-CB 4.32Å; P84-Y120 HydrophobicContact CB-CD1 3.33Å; P84-Y120 HydrophobicContact CB-CE1 3.96Å; P84-Y120 HydrophobicContact CB-CG 3.62Å
85Q96.4Very high96.4Very high74 Ų7460.6 Ų60.635%0.34630%0.3SS..Hα-helixtrans-61-40.2178.4-65.280.52.300112.1K83 I87 T88 T89 Y120K83-Q85 PolarHBondContact O-N 2.7Å; Q85-I87 PolarHBondContact O-N 3.08Å; Q85-T88 WeakPolarHBondContact O-CB 3.36Å; Q85-T88 PolarHBondContact O-N 2.95Å; Q85-T89 PolarHBondContact O-N 3.33Å; Q85-T89 PolarHBondContact O-OG1 3.47Å; Q85-T89 VanDerWaalsContact O-OG1 3.13Å; Q85-Y120 HydrophobicContact CG-CD2 4.09Å; Q85-Y120 HydrophobicContact CG-CE2 3.65Å; Q85-Y120 VanDerWaalsContact NE2-CD2 3.34Å
86T96.7Very high96.6Very high45 Ų4565.2 Ų65.228%0.27632%0.316SS..Hα-helixtrans-65.5-40.4-179.9-51.40000111.6Y74 I82 K83 P84 T88 M90Y74-T86 HydrophobicContact CE2-CG2 4.15Å; I82-T86 HydrophobicContact CD1-CG2 4.08Å; I82-T86 HydrophobicContact CG1-CG2 3.98Å; K83-T86 WeakPolarHBondContact O-CB 3.46Å; K83-T86 PolarHBondContact O-N 2.84Å; K83-T86 VanDerWaalsContact O-N 3.1Å; P84-T86 VanDerWaalsContact C-N 3.31Å; P84-T86 PolarHBondContact O-N 3.07Å; T86-T88 VanDerWaalsContact C-N 3.35Å; T86-M90 WeakPolarHBondContact O-CB 3.46Å; T86-M90 PolarHBondContact O-N 3.23Å
87I97.2Very high96.6Very high0 Ų064.1 Ų64.10%031%0.307CS..Hα-helixtrans-69-35.8175.8-16374.5000111.4L45 L49 L67 K71 I82 K83 P84 Q85 M90 L91 I109L45-I87 HydrophobicContact CD1-CG1 4Å; L49-I87 HydrophobicContact CD1-CG2 4.23Å; L49-I87 HydrophobicContact CD2-CG2 3.82Å; L49-I87 HydrophobicContact CG-CG2 4.43Å; L67-I87 HydrophobicContact CD1-CD1 3.64Å; L67-I87 HydrophobicContact CD1-CG1 4.12Å; L67-I87 HydrophobicContact CD2-CD1 4.41Å; L67-I87 HydrophobicContact CD2-CG1 4.31Å; L67-I87 HydrophobicContact CG-CD1 4.04Å; L67-I87 HydrophobicContact CG-CG1 4.46Å; K71-I87 HydrophobicContact CB-CD1 4Å; K71-I87 HydrophobicContact CG-CD1 4Å; I82-I87 HydrophobicContact CD1-CB 4.08Å; I82-I87 HydrophobicContact CD1-CD1 3.72Å; I82-I87 HydrophobicContact CG1-CB 4.3Å; K83-I87 PolarHBondContact O-N 2.74Å; P84-I87 WeakPolarHBondContact O-CG2 3.41Å; P84-I87 PolarHBondContact O-N 3.43Å; Q85-I87 PolarHBondContact O-N 3.08Å; I87-M90 HydrophobicContact CD1-SD 3.87Å; I87-M90 WeakPolarHBondContact O-CB 3.22Å; I87-M90 PolarHBondContact O-N 2.97Å; I87-L91 WeakPolarHBondContact O-CB 3.32Å; I87-L91 PolarHBondContact O-N 3.33Å; I87-I109 HydrophobicContact CG2-CD1 4.42Å; I87-I109 HydrophobicContact CG2-CG2 4.42Å
88T98Very high96.6Very high0 Ų060.5 Ų60.50%029%0.294CS..Hα-helixtrans-59.5-48.4174.9-54.80000111.1P84 Q85 T86 M90 L91 S92 I109 Y120 A122 M124 V130P84-T88 PolarHBondContact O-N 3.42Å; P84-T88 PolarHBondContact O-OG1 2.95Å; Q85-T88 WeakPolarHBondContact O-CB 3.36Å; Q85-T88 PolarHBondContact O-N 2.95Å; T86-T88 VanDerWaalsContact C-N 3.35Å; T88-M90 VanDerWaalsContact C-N 3.35Å; T88-M90 PolarHBondContact O-N 3.48Å; T88-L91 PolarHBondContact O-N 3.47Å; T88-S92 WeakPolarHBondContact O-CB 3.33Å; T88-S92 PolarHBondContact O-N 3.13Å; T88-I109 HydrophobicContact CG2-CD1 4.15Å; T88-I109 WeakPolarHBondContact OG1-CD1 3.43Å; T88-Y120 VanDerWaalsContact CB-OH 3.32Å; T88-Y120 WeakPolarHBondContact CB-OH 3.43Å; T88-Y120 WeakPolarHBondContact CG2-OH 3.24Å; T88-Y120 VanDerWaalsContact OG1-CE1 3.24Å; T88-Y120 WeakPolarHBondContact OG1-CE1 3.23Å; T88-Y120 PolarHBondContact OG1-OH 3.38Å; T88-A122 HydrophobicContact CG2-CB 4.24Å; T88-M124 HydrophobicContact CG2-CE 4.03Å; T88-V130 HydrophobicContact CG2-CB 4.37Å; T88-V130 HydrophobicContact CG2-CG1 3.51Å; T88-V130 HydrophobicContact CG2-CG2 3.87Å
89T97.9Very high96.6Very high80 Ų8060.6 Ų60.649%0.49129%0.289SS..Hα-helixtrans-64.6-38.9176.1-49.70000112Q85 L91 S92 N93Q85-T89 PolarHBondContact O-N 3.33Å; Q85-T89 PolarHBondContact O-OG1 3.47Å; Q85-T89 VanDerWaalsContact O-OG1 3.13Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 2.99Å; T89-S92 PolarHBondContact O-N 3.07Å; T89-N93 WeakPolarHBondContact O-CB 3.32Å; T89-N93 PolarHBondContact O-N 3.45Å; T89-N93 PolarHBondContact O-ND2 3.18Å; T89-N93 VanDerWaalsContact O-ND2 3.07Å
90M97.9Very high96.7Very high28 Ų2863.2 Ų63.214%0.13829%0.294CS..Hα-helixtrans-61.8-41.5176.4-177-176.7-67.400111.9L67 R70 Y74 I82 T86 I87 T88 L94L67-M90 HydrophobicContact CD1-CG 4.23Å; L67-M90 HydrophobicContact CD1-SD 4.17Å; R70-M90 HydrophobicContact CB-CE 4.44Å; R70-M90 HydrophobicContact CB-CG 4.22Å; R70-M90 HydrophobicContact CB-SD 3.44Å; R70-M90 WeakPolarHBondContact CB-SD 3.48Å; Y74-M90 HydrophobicContact CD2-CE 4.25Å; Y74-M90 HydrophobicContact CG-CE 4.14Å; I82-M90 HydrophobicContact CD1-CE 3.71Å; I82-M90 HydrophobicContact CD1-SD 4.46Å; T86-M90 WeakPolarHBondContact O-CB 3.46Å; T86-M90 PolarHBondContact O-N 3.23Å; I87-M90 HydrophobicContact CD1-SD 3.87Å; I87-M90 WeakPolarHBondContact O-CB 3.22Å; I87-M90 PolarHBondContact O-N 2.97Å; T88-M90 VanDerWaalsContact C-N 3.35Å; T88-M90 PolarHBondContact O-N 3.48Å; M90-L94 WeakPolarHBondContact O-CB 3.25Å; M90-L94 PolarHBondContact O-N 3.39Å; M90-L94 VanDerWaalsContact O-N 3.07Å
91L98.2Very high96.9Very high0 Ų058.8 Ų58.80%029%0.289CS..Hα-helixtrans-71.7-43.3178.5-175.853000111.6V51 F53 V63 L67 I87 T88 T89 N93 L94 L95 P107 I109 M124V51-L91 HydrophobicContact CG2-CD2 4.23Å; F53-L91 HydrophobicContact CE1-CD1 4.34Å; F53-L91 HydrophobicContact CE1-CD2 4.06Å; F53-L91 HydrophobicContact CZ-CD2 4.39Å; V63-L91 HydrophobicContact CG1-CD1 3.68Å; L67-L91 HydrophobicContact CD1-CB 4.07Å; L67-L91 HydrophobicContact CD1-CD1 4.22Å; L67-L91 HydrophobicContact CD2-CD1 4.16Å; L67-L91 HydrophobicContact CD2-CD2 4.12Å; I87-L91 WeakPolarHBondContact O-CB 3.32Å; I87-L91 PolarHBondContact O-N 3.33Å; T88-L91 PolarHBondContact O-N 3.47Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 2.99Å; L91-N93 VanDerWaalsContact C-N 3.32Å; L91-N93 PolarHBondContact O-N 2.79Å; L91-L94 HydrophobicContact CD1-CD2 4.21Å; L91-L94 WeakPolarHBondContact O-CB 3.48Å; L91-L94 PolarHBondContact O-N 3.27Å; L91-L94 VanDerWaalsContact O-N 3.08Å; L91-L95 HydrophobicContact CD1-CG 4.41Å; L91-L95 WeakPolarHBondContact O-CG 3.49Å; L91-L95 PolarHBondContact O-N 3.36Å; L91-P107 HydrophobicContact CD1-CG 4.49Å; L91-P107 HydrophobicContact CD2-CB 3.51Å; L91-P107 HydrophobicContact CD2-CG 3.69Å; L91-P107 HydrophobicContact CG-CB 4.48Å; L91-P107 HydrophobicContact CG-CG 4.19Å; L91-I109 HydrophobicContact CD2-CD1 4.17Å; L91-M124 HydrophobicContact CB-CE 4.18Å; L91-M124 HydrophobicContact CB-SD 4.15Å; L91-M124 HydrophobicContact CD2-CE 3.72Å; L91-M124 HydrophobicContact CD2-SD 3.8Å; L91-M124 HydrophobicContact CG-CE 3.97Å; L91-M124 HydrophobicContact CG-SD 3.57Å; L91-M124 VanDerWaalsContact CG-SD 3.57Å
92S98.2Very high97.2Very high23 Ų2357 Ų5716%0.16128%0.278CS..Hα-helixtrans-52.7-49.2171.9168.90000111.5T88 T89 L94 L95 Y96 G128T88-S92 WeakPolarHBondContact O-CB 3.33Å; T88-S92 PolarHBondContact O-N 3.13Å; T89-S92 PolarHBondContact O-N 3.07Å; S92-L94 PolarHBondContact O-N 3.45Å; S92-L95 PolarHBondContact O-N 2.99Å; S92-Y96 WeakPolarHBondContact O-CB 3.23Å; S92-Y96 PolarHBondContact O-N 2.83Å; S92-G128 WeakPolarHBondContact CB-O 3.36Å; S92-G128 PolarHBondContact OG-O 2.82Å
93N98.2Very high97.3Very high88 Ų8857.7 Ų57.747%0.47128%0.281SS..Hα-helixtrans-60.9-42.8175.7-74.7-39.9000112.5T89 L91 L95 Y96 E97T89-N93 WeakPolarHBondContact O-CB 3.32Å; T89-N93 PolarHBondContact O-N 3.45Å; T89-N93 PolarHBondContact O-ND2 3.18Å; T89-N93 VanDerWaalsContact O-ND2 3.07Å; L91-N93 VanDerWaalsContact C-N 3.32Å; L91-N93 PolarHBondContact O-N 2.79Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.87Å; N93-Y96 PolarHBondContact O-N 3.31Å; N93-E97 WeakPolarHBondContact O-CG 3.42Å; N93-E97 PolarHBondContact O-N 2.62Å
94L98.1Very high97.4Very high3 Ų356.7 Ų56.72%0.01628%0.277CS..Hα-helixtrans-61.4-38.6178.7178.3152.7000112.4V63 R66 M90 L91 S92 Y103V63-L94 HydrophobicContact CG1-CD2 3.9Å; V63-L94 HydrophobicContact CG2-CD2 4.31Å; R66-L94 HydrophobicContact CB-CD1 3.76Å; M90-L94 WeakPolarHBondContact O-CB 3.25Å; M90-L94 PolarHBondContact O-N 3.39Å; M90-L94 VanDerWaalsContact O-N 3.07Å; L91-L94 HydrophobicContact CD1-CD2 4.21Å; L91-L94 WeakPolarHBondContact O-CB 3.48Å; L91-L94 PolarHBondContact O-N 3.27Å; L91-L94 VanDerWaalsContact O-N 3.08Å; S92-L94 PolarHBondContact O-N 3.45Å; L94-Y103 HydrophobicContact CD2-CD2 4.29Å; L94-Y103 HydrophobicContact CD2-CE2 4.08Å
95L98.3Very high97.5Very high0 Ų056.6 Ų56.60%028%0.276CS..Hα-helixtrans-72.2-44.1176.1-64.8-179.2000111.1V63 L91 S92 N93 E97 R98 Y103 V105 P107 M124V63-L95 HydrophobicContact CG1-CD2 4.5Å; V63-L95 HydrophobicContact CG2-CD2 4.42Å; L91-L95 HydrophobicContact CD1-CG 4.41Å; L91-L95 WeakPolarHBondContact O-CG 3.49Å; L91-L95 PolarHBondContact O-N 3.36Å; S92-L95 PolarHBondContact O-N 2.99Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.87Å; L95-E97 VanDerWaalsContact C-N 3.31Å; L95-E97 PolarHBondContact O-N 2.89Å; L95-R98 PolarHBondContact O-N 3.03Å; L95-Y103 HydrophobicContact CD2-CD2 4.01Å; L95-V105 HydrophobicContact CD2-CG2 4.12Å; L95-P107 HydrophobicContact CD1-CG 3.98Å; L95-M124 HydrophobicContact CD1-CG 3.85Å; L95-M124 HydrophobicContact CD1-SD 3.6Å; L95-M124 VanDerWaalsContact CD1-SD 3.6Å
96Y98.2Very high97.5Very high142 Ų14255.4 Ų55.456%0.55727%0.271SS*.Hα-helixtrans-67.2-29.2-178.1-161.1-94.9000113.1S92 N93 R98 R99 I127S92-Y96 WeakPolarHBondContact O-CB 3.23Å; S92-Y96 PolarHBondContact O-N 2.83Å; N93-Y96 PolarHBondContact O-N 3.31Å; Y96-R98 PolarHBondContact O-N 3.39Å; Y96-R99 WeakPolarHBondContact O-CB 3.18Å; Y96-R99 PolarHBondContact O-N 2.93Å; Y96-I127 VanDerWaalsContact CD2-O 3.31Å; Y96-I127 WeakPolarHBondContact CD2-O 3.08Å
97E97.7Very high97.6Very high116 Ų11653.3 Ų53.354%0.54226%0.257SS..THydrogen-bonded Turntrans-53.7-24.2169.6-81.8171.8-148.300113.1R70 N93 L95R70-E97 IonicContact CZ-OE1 3.04Å; R70-E97 VanDerWaalsContact CZ-OE1 3.23Å; R70-E97 IonicContact CZ-OE2 2.84Å; R70-E97 IonicContact NH1-OE1 2.74Å; R70-E97 PolarHBondContact NH1-OE1 2.73Å; R70-E97 IonicContact NH1-OE2 3.23Å; R70-E97 IonicContact NH2-OE1 2.74Å; R70-E97 PolarHBondContact NH2-OE1 2.87Å; R70-E97 IonicContact NH2-OE2 3.87Å; R70-E97 PolarHBondContact NH2-OE2 2.75Å; N93-E97 WeakPolarHBondContact O-CG 3.42Å; N93-E97 PolarHBondContact O-N 2.62Å; L95-E97 VanDerWaalsContact C-N 3.31Å; L95-E97 PolarHBondContact O-N 2.89Å
98R96.4Very high97.7Very high117 Ų11753.3 Ų53.344%0.44226%0.257SS..THydrogen-bonded Turntrans-105.928.8178-68.8-57.6-155.3-174.26.2112.9L95 Y96 F100 G101 P102 Y103L95-R98 PolarHBondContact O-N 3.03Å; Y96-R98 PolarHBondContact O-N 3.39Å; R98-F100 VanDerWaalsContact C-N 3.26Å; R98-F100 PolarHBondContact O-N 2.82Å; R98-G101 WeakPolarHBondContact CB-O 3.48Å; R98-G101 CarbonylContact O-C 3.04Å; R98-G101 PolarHBondContact O-N 3.04Å; R98-P102 VanDerWaalsContact O-CA 3.24Å; R98-P102 WeakPolarHBondContact O-CA 3.49Å; R98-Y103 HydrophobicContact CB-CD2 4.4Å; R98-Y103 HydrophobicContact CB-CE2 4.28Å; R98-Y103 HydrophobicContact CG-CD2 4.16Å; R98-Y103 HydrophobicContact CG-CE2 3.57Å
99R95.8Very high97.7Very high105 Ų10553.3 Ų53.340%0.39626%0.257SS..THydrogen-bonded Turntrans-48.3-37.4-174.918058-173.979.3-2.2116.2Y96Y96-R99 WeakPolarHBondContact O-CB 3.18Å; Y96-R99 PolarHBondContact O-N 2.93Å
100F95.8Very high97.8Very high205 Ų20549.5 Ų49.590%0.89923%0.234SC*.THydrogen-bonded Turntrans-97.71.3-178.1-59.9-68000114.2R98R98-F100 VanDerWaalsContact C-N 3.26Å; R98-F100 PolarHBondContact O-N 2.82Å
101G96.4Very high97.7Very high49 Ų4948.1 Ų48.151%0.50523%0.227SC..SBendtrans-156.468.8175.500000108.6R98R98-G101 WeakPolarHBondContact CB-O 3.48Å; R98-G101 CarbonylContact O-C 3.04Å; R98-G101 PolarHBondContact O-N 3.04Å
102P97.4Very high97.7Very high32 Ų3248.5 Ų48.521%0.20823%0.229CC..  trans-69.3161.2-16529.3-36.3000112.1R98 L126 I127R98-P102 VanDerWaalsContact O-CA 3.24Å; R98-P102 WeakPolarHBondContact O-CA 3.49Å; P102-L126 HydrophobicContact CB-CD1 3.49Å; P102-L126 VanDerWaalsContact CB-CD1 3.49Å; P102-L126 HydrophobicContact CG-CD1 3.53Å; P102-I127 HydrophobicContact CB-CG2 4.31Å
103Y98.2Very high97.5Very high19 Ų1947.7 Ų47.78%0.07522%0.223CC..  trans-77.2134.3161.6-63.9-68.3000108.7D59 T62 V63 R66 L94 L95 R98 V105D59-Y103 HydrophobicContact CB-CD1 4.25Å; D59-Y103 WeakPolarHBondContact OD2-CA 3.28Å; T62-Y103 HydrophobicContact CG2-CE1 4.04Å; V63-Y103 HydrophobicContact CG2-CD1 3.83Å; V63-Y103 HydrophobicContact CG2-CD2 3.6Å; V63-Y103 HydrophobicContact CG2-CE1 4.36Å; V63-Y103 HydrophobicContact CG2-CE2 4.14Å; V63-Y103 HydrophobicContact CG2-CG 3.43Å; V63-Y103 VanDerWaalsContact CG2-CG 3.43Å; R66-Y103 PolarHBondContact NE-OH 3.06Å; R66-Y103 PolarHBondContact NH1-OH 3.48Å; L94-Y103 HydrophobicContact CD2-CD2 4.29Å; L94-Y103 HydrophobicContact CD2-CE2 4.08Å; L95-Y103 HydrophobicContact CD2-CD2 4.01Å; R98-Y103 HydrophobicContact CB-CD2 4.4Å; R98-Y103 HydrophobicContact CB-CE2 4.28Å; R98-Y103 HydrophobicContact CG-CD2 4.16Å; R98-Y103 HydrophobicContact CG-CE2 3.57Å; Y103-V105 PolarHBondContact O-N 2.74Å
104F97.9Very high97.2Very high62 Ų6247 Ų4727%0.27222%0.217SC..SBendtrans-83.560.3178.5-64.4-79.5000111I3 L4 G55 L56 D59I3-F104 HydrophobicContact CB-CD1 3.97Å; I3-F104 HydrophobicContact CB-CE1 4.11Å; I3-F104 HydrophobicContact CB-CG 4.29Å; I3-F104 HydrophobicContact CD1-CD1 4.42Å; I3-F104 HydrophobicContact CD1-CE1 3.71Å; I3-F104 HydrophobicContact CD1-CE2 4.13Å; I3-F104 HydrophobicContact CD1-CZ 3.54Å; I3-F104 HydrophobicContact CG2-CB 3.94Å; I3-F104 HydrophobicContact CG2-CD1 3.67Å; I3-F104 HydrophobicContact CG2-CD2 3.69Å; I3-F104 HydrophobicContact CG2-CE1 4.04Å; I3-F104 HydrophobicContact CG2-CE2 4.05Å; I3-F104 HydrophobicContact CG2-CG 3.48Å; I3-F104 VanDerWaalsContact CG2-CG 3.48Å; I3-F104 HydrophobicContact CG2-CZ 4.22Å; L4-F104 HydrophobicContact CD2-CB 4Å; L4-F104 WeakPolarHBondContact CD2-O 3.48Å; G55-F104 WeakPolarHBondContact CA-O 3.43Å; L56-F104 HydrophobicContact CB-CB 3.75Å; L56-F104 HydrophobicContact CD2-CB 4.29Å; L56-F104 HydrophobicContact CD2-CD2 4.15Å; L56-F104 PolarHBondContact N-O 2.81Å; D59-F104 PolarHBondContact OD2-N 2.96Å
105V97.8Very high96.8Very high0 Ų051 Ų510%024%0.241CC..BIsolated β-bridgetrans-134.6150174.2-66.30000110.4F53 P54 D59 N60 V63 L95 Y103 P107 L126F53-V105 HydrophobicContact CD1-CB 4.43Å; F53-V105 HydrophobicContact CD1-CG2 4.38Å; P54-V105 VanDerWaalsContact O-CA 3.27Å; P54-V105 WeakPolarHBondContact O-CA 3.39Å; D59-V105 HydrophobicContact CB-CG1 3.8Å; N60-V105 HydrophobicContact CB-CG1 4.23Å; V63-V105 HydrophobicContact CB-CG2 4.4Å; V63-V105 HydrophobicContact CG1-CG2 4.46Å; V63-V105 HydrophobicContact CG2-CG2 3.95Å; L95-V105 HydrophobicContact CD2-CG2 4.12Å; Y103-V105 PolarHBondContact O-N 2.74Å; V105-P107 HydrophobicContact CG2-CG 4.34Å; V105-P107 WeakPolarHBondContact O-CD 3.19Å; V105-L126 VanDerWaalsContact O-CA 3.23Å; V105-L126 WeakPolarHBondContact O-CA 3.4Å; V105-L126 WeakPolarHBondContact O-CB 3.3Å
106E98.2Very high96.6Very high50 Ų5054.7 Ų54.723%0.23426%0.264CS..  trans-125.779.5177.5-71.7-178.1165.500109.8P54 M124 L126 S139P54-E106 WeakPolarHBondContact CD-O 3.49Å; P54-E106 HydrophobicContact CG-CB 4.37Å; P54-E106 WeakPolarHBondContact CG-O 3.47Å; P54-E106 PolarHBondContact O-N 2.88Å; E106-M124 CarbonylContact C-O 3.57Å; E106-M124 WeakPolarHBondContact CA-O 3.33Å; E106-L126 HydrophobicContact CG-CB 4.4Å; E106-S139 WeakPolarHBondContact CB-OG 3.24Å; E106-S139 PolarHBondContact O-OG 2.97Å; E106-S139 PolarHBondContact OE2-OG 3.04Å
107P98.5Very high96.3Very high0 Ų050.1 Ų50.10%025%0.25CC..  trans-59.3145.7-168.7-2126.5000114.5V51 G52 F53 L91 L95 V105 C123 M124V51-P107 HydrophobicContact CG2-CB 4.25Å; G52-P107 CarbonylContact O-C 3.47Å; G52-P107 VanDerWaalsContact O-CA 3.29Å; G52-P107 WeakPolarHBondContact O-CA 3.43Å; F53-P107 HydrophobicContact CD1-CB 3.91Å; F53-P107 HydrophobicContact CD1-CG 3.78Å; F53-P107 HydrophobicContact CE1-CB 3.82Å; F53-P107 HydrophobicContact CE1-CG 3.69Å; L91-P107 HydrophobicContact CD1-CG 4.49Å; L91-P107 HydrophobicContact CD2-CB 3.51Å; L91-P107 HydrophobicContact CD2-CG 3.69Å; L91-P107 HydrophobicContact CG-CB 4.48Å; L91-P107 HydrophobicContact CG-CG 4.19Å; L95-P107 HydrophobicContact CD1-CG 3.98Å; V105-P107 HydrophobicContact CG2-CG 4.34Å; V105-P107 WeakPolarHBondContact O-CD 3.19Å; P107-C123 CarbonylContact O-C 3.53Å; P107-C123 VanDerWaalsContact O-CA 3.24Å; P107-C123 WeakPolarHBondContact O-CA 3.31Å; P107-M124 HydrophobicContact CB-CE 4.19Å; P107-M124 HydrophobicContact CB-CG 3.95Å; P107-M124 HydrophobicContact CB-SD 4.02Å; P107-M124 VanDerWaalsContact CD-CG 3.48Å; P107-M124 HydrophobicContact CG-CG 3.76Å; P107-M124 HydrophobicContact CG-SD 3.8Å; P107-M124 PolarHBondContact O-N 2.82Å
108V98.7Very high96.2Very high0 Ų051.5 Ų51.50%025%0.254CS..EExtended strand (participates in β ladder)trans-120.9126.4171.5176.30000108.5V11 A13 I22 V51 G52 A122 C123 V137V11-V108 HydrophobicContact CB-CB 4.5Å; V11-V108 HydrophobicContact CB-CG2 4.24Å; V11-V108 HydrophobicContact CG1-CB 3.8Å; V11-V108 HydrophobicContact CG1-CG1 4.06Å; V11-V108 HydrophobicContact CG1-CG2 4.05Å; A13-V108 HydrophobicContact CB-CG1 3.51Å; I22-V108 HydrophobicContact CD1-CG1 4.2Å; V51-V108 CarbonylContact C-O 3.53Å; V51-V108 VanDerWaalsContact CA-O 3.29Å; V51-V108 WeakPolarHBondContact CA-O 3.27Å; G52-V108 PolarHBondContact N-O 3.04Å; G52-V108 PolarHBondContact O-N 2.87Å; V108-A122 CarbonylContact C-O 3.51Å; V108-A122 WeakPolarHBondContact CA-O 3.46Å; V108-C123 HydrophobicContact CG2-CB 4.11Å; V108-V137 HydrophobicContact CG1-CG2 3.7Å
109I98.5Very high96.2Very high0 Ų047.8 Ų47.80%025%0.245CC..EExtended strand (participates in β ladder)trans-112.2135-179.4-63169.3000108.4L49 V51 I87 T88 L91 Y120 V121 A122 M124L49-I109 HydrophobicContact CD1-CG2 3.87Å; V51-I109 HydrophobicContact CB-CG1 4.44Å; V51-I109 HydrophobicContact CG2-CG1 4.06Å; I87-I109 HydrophobicContact CG2-CD1 4.42Å; I87-I109 HydrophobicContact CG2-CG2 4.42Å; T88-I109 HydrophobicContact CG2-CD1 4.15Å; T88-I109 WeakPolarHBondContact OG1-CD1 3.43Å; L91-I109 HydrophobicContact CD2-CD1 4.17Å; I109-Y120 HydrophobicContact CG2-CD1 4.34Å; I109-Y120 HydrophobicContact CG2-CE1 4.19Å; I109-V121 WeakPolarHBondContact O-CA 3.26Å; I109-A122 PolarHBondContact N-O 3.04Å; I109-A122 PolarHBondContact O-N 3.37Å; I109-M124 HydrophobicContact CD1-CE 3.71Å; I109-M124 HydrophobicContact CG1-CE 4.48Å
110A98.5Very high96.3Very high0 Ų043.5 Ų43.50%023%0.229CC..EExtended strand (participates in β ladder)trans-135.1133.9170.700000109.7A13 I22 Y50 Y120 V121 L190A13-A110 HydrophobicContact CB-CB 3.87Å; I22-A110 HydrophobicContact CB-CB 3.71Å; I22-A110 HydrophobicContact CD1-CB 4.22Å; I22-A110 HydrophobicContact CG1-CB 4.44Å; I22-A110 HydrophobicContact CG2-CB 4.14Å; Y50-A110 PolarHBondContact N-O 3.32Å; Y50-A110 PolarHBondContact O-N 2.55Å; A110-Y120 WeakPolarHBondContact CA-O 3.41Å; A110-V121 HydrophobicContact CB-CG1 4.35Å; A110-L190 HydrophobicContact CB-CD1 4.38Å
111G97.8Very high96.5Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-167.6176.7176.600000114R48 P119 Y120R48-G111 CarbonylContact O-C 3.58Å; R48-G111 WeakPolarHBondContact O-CA 3.44Å; G111-P119 CarbonylContact O-C 3.47Å; G111-Y120 PolarHBondContact N-O 2.9Å; G111-Y120 PolarHBondContact O-N 3.23Å
112I97.1Very high96.6Very high7 Ų731.5 Ų31.54%0.03616%0.162CC..EExtended strand (participates in β ladder)trans-119.7125.1171.8-63.2172.2000107.8R48 H114 L190R48-I112 HydrophobicContact CB-CB 4.3Å; R48-I112 PolarHBondContact O-N 3.07Å; I112-H114 PolarHBondContact O-N 2.88Å; I112-L190 HydrophobicContact CD1-CB 4.07Å; I112-L190 WeakPolarHBondContact CD1-O 3.49Å; I112-L190 HydrophobicContact CG1-CB 4.41Å
113D94.8Very high96.6Very high6 Ų630.7 Ų30.73%0.03216%0.157CC..  trans-65.3124.1176.5176.8-76.6000109.9P84 T115 T116 N117 K118P84-D113 HydrophobicContact CG-CB 4.32Å; D113-T115 PolarHBondContact O-N 3.49Å; D113-T115 WeakPolarHBondContact OD1-CA 3.5Å; D113-T115 VanDerWaalsContact OD1-CB 3.29Å; D113-T115 WeakPolarHBondContact OD1-CB 3.4Å; D113-T115 PolarHBondContact OD1-N 3.1Å; D113-T116 WeakPolarHBondContact CB-OG1 3.28Å; D113-T116 PolarHBondContact OD1-N 3.45Å; D113-T116 PolarHBondContact OD1-OG1 2.98Å; D113-N117 WeakPolarHBondContact O-CA 3.43Å; D113-N117 PolarHBondContact O-N 3.27Å; D113-K118 PolarHBondContact N-O 3.08Å
114H91Very high96.6Very high73 Ų7330.1 Ų30.134%0.33816%0.155SC..THydrogen-bonded Turntrans-70.8-15.9-173.761.9-91.9000114.3T81 I112T81-H114 PolarHBondContact O-CE1 3.07Å; I112-H114 PolarHBondContact O-N 2.88Å
115T90.4Very high96.6Very high87 Ų8729.8 Ų29.853%0.53416%0.156SC..THydrogen-bonded Turntrans-90.6-44.2179-50.70000111.1D113D113-T115 PolarHBondContact O-N 3.49Å; D113-T115 WeakPolarHBondContact OD1-CA 3.5Å; D113-T115 VanDerWaalsContact OD1-CB 3.29Å; D113-T115 WeakPolarHBondContact OD1-CB 3.4Å; D113-T115 PolarHBondContact OD1-N 3.1Å
116T93.2Very high96.5Very high78 Ų7831.7 Ų31.748%0.47917%0.167SC..THydrogen-bonded Turntrans-100.8-15.2-172.361.60000113.4D113 K118D113-T116 WeakPolarHBondContact CB-OG1 3.28Å; D113-T116 PolarHBondContact OD1-N 3.45Å; D113-T116 PolarHBondContact OD1-OG1 2.98Å; T116-K118 PolarHBondContact O-N 3.24Å; T116-K118 PolarHBondContact OG1-N 3.24Å
117N92.5Very high96.5Very high47 Ų4731.5 Ų31.525%0.25117%0.167SC..  trans56.717.2-169.1-58.9-67.4000114.3D113D113-N117 WeakPolarHBondContact O-CA 3.43Å; D113-N117 PolarHBondContact O-N 3.27Å
118K95.4Very high96.5Very high145 Ų14531.8 Ų31.863%0.6317%0.169SC*.  trans-79135.9176.1-68.9-173.9174.6-170.20110.5D113 T116D113-K118 PolarHBondContact N-O 3.08Å; T116-K118 PolarHBondContact O-N 3.24Å; T116-K118 PolarHBondContact OG1-N 3.24Å
119P97.3Very high96.4Very high39 Ų3935.6 Ų35.625%0.25320%0.195SC..EExtended strand (participates in β ladder)trans-65.1152.1169.830.8-35.6000110G16 C19 A20 G111G16-P119 WeakPolarHBondContact O-CG 3.09Å; C19-P119 WeakPolarHBondContact O-CB 3.4Å; A20-P119 HydrophobicContact CB-CB 4.07Å; G111-P119 CarbonylContact O-C 3.47Å
120Y98Very high96.4Very high15 Ų1538.1 Ų38.16%0.05921%0.21CC..EExtended strand (participates in β ladder)trans-143127.1178.6176.9-92.1000109P84 Q85 T88 I109 A110 G111 A122 E132P84-Y120 HydrophobicContact CB-CD1 3.33Å; P84-Y120 HydrophobicContact CB-CE1 3.96Å; P84-Y120 HydrophobicContact CB-CG 3.62Å; Q85-Y120 HydrophobicContact CG-CD2 4.09Å; Q85-Y120 HydrophobicContact CG-CE2 3.65Å; Q85-Y120 VanDerWaalsContact NE2-CD2 3.34Å; T88-Y120 VanDerWaalsContact CB-OH 3.32Å; T88-Y120 WeakPolarHBondContact CB-OH 3.43Å; T88-Y120 WeakPolarHBondContact CG2-OH 3.24Å; T88-Y120 VanDerWaalsContact OG1-CE1 3.24Å; T88-Y120 WeakPolarHBondContact OG1-CE1 3.23Å; T88-Y120 PolarHBondContact OG1-OH 3.38Å; I109-Y120 HydrophobicContact CG2-CD1 4.34Å; I109-Y120 HydrophobicContact CG2-CE1 4.19Å; A110-Y120 WeakPolarHBondContact CA-O 3.41Å; G111-Y120 PolarHBondContact N-O 2.9Å; G111-Y120 PolarHBondContact O-N 3.23Å; Y120-A122 HydrophobicContact CE1-CB 3.74Å; Y120-E132 HydrophobicContact CE2-CG 4.3Å; Y120-E132 WeakPolarHBondContact CE2-OE1 3.47Å; Y120-E132 PolarHBondContact OH-OE1 3.36Å
121V98.3Very high96.4Very high2 Ų241.3 Ų41.31%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-130.7138.7172.1-62.50000109.6A13 I109 A110 A133 V137A13-V121 HydrophobicContact CB-CB 4.31Å; A13-V121 HydrophobicContact CB-CG1 3.99Å; I109-V121 WeakPolarHBondContact O-CA 3.26Å; A110-V121 HydrophobicContact CB-CG1 4.35Å; V121-A133 VanDerWaalsContact CG2-O 3.25Å; V121-A133 WeakPolarHBondContact CG2-O 3.3Å; V121-A133 PolarHBondContact O-N 3.5Å; V121-V137 HydrophobicContact CB-CG2 4.17Å
122A98.6Very high96.4Very high0 Ų046.8 Ų46.80%026%0.257CS..EExtended strand (participates in β ladder)trans-152.7148.3176.800000110.2T88 V108 I109 Y120 C131 E132T88-A122 HydrophobicContact CG2-CB 4.24Å; V108-A122 CarbonylContact C-O 3.51Å; V108-A122 WeakPolarHBondContact CA-O 3.46Å; I109-A122 PolarHBondContact N-O 3.04Å; I109-A122 PolarHBondContact O-N 3.37Å; Y120-A122 HydrophobicContact CE1-CB 3.74Å; A122-C131 CarbonylContact C-O 3.53Å; A122-C131 VanDerWaalsContact CA-O 3.23Å; A122-C131 WeakPolarHBondContact CA-O 3.36Å; A122-E132 HydrophobicContact CB-CG 4.19Å
123C98.2Very high96.3Very high15 Ų1547.5 Ų47.510%0.10126%0.264CS..EExtended strand (participates in β ladder)trans-120.4170.816565.70000110.5P107 V108 C131 V137P107-C123 CarbonylContact O-C 3.53Å; P107-C123 VanDerWaalsContact O-CA 3.24Å; P107-C123 WeakPolarHBondContact O-CA 3.31Å; V108-C123 HydrophobicContact CG2-CB 4.11Å; C123-C131 PolarHBondContact N-O 3.29Å; C123-C131 PolarHBondContact O-N 3.34Å; C123-V137 HydrophobicContact CB-CB 3.89Å; C123-V137 HydrophobicContact CB-CG1 4.37Å; C123-V137 HydrophobicContact CB-CG2 4.24Å
124M97.9Very high96.4Very high6 Ų654.5 Ų54.53%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-147152.7172.365.3-161.971.400112T88 L91 L95 E106 P107 I109 C129T88-M124 HydrophobicContact CG2-CE 4.03Å; L91-M124 HydrophobicContact CB-CE 4.18Å; L91-M124 HydrophobicContact CB-SD 4.15Å; L91-M124 HydrophobicContact CD2-CE 3.72Å; L91-M124 HydrophobicContact CD2-SD 3.8Å; L91-M124 HydrophobicContact CG-CE 3.97Å; L91-M124 HydrophobicContact CG-SD 3.57Å; L91-M124 VanDerWaalsContact CG-SD 3.57Å; L95-M124 HydrophobicContact CD1-CG 3.85Å; L95-M124 HydrophobicContact CD1-SD 3.6Å; L95-M124 VanDerWaalsContact CD1-SD 3.6Å; E106-M124 CarbonylContact C-O 3.57Å; E106-M124 WeakPolarHBondContact CA-O 3.33Å; P107-M124 HydrophobicContact CB-CE 4.19Å; P107-M124 HydrophobicContact CB-CG 3.95Å; P107-M124 HydrophobicContact CB-SD 4.02Å; P107-M124 VanDerWaalsContact CD-CG 3.48Å; P107-M124 HydrophobicContact CG-CG 3.76Å; P107-M124 HydrophobicContact CG-SD 3.8Å; P107-M124 PolarHBondContact O-N 2.82Å; I109-M124 HydrophobicContact CD1-CE 3.71Å; I109-M124 HydrophobicContact CG1-CE 4.48Å; M124-C129 WeakPolarHBondContact CA-O 3.48Å; M124-C129 WeakPolarHBondContact CB-O 3.43Å
125D97.6Very high96.7Very high55 Ų5553.5 Ų53.529%0.29430%0.299SS..  trans-71.7171.6169.974.512.4000111.5I127 G128 C129D125-I127 PolarHBondContact O-N 2.98Å; D125-I127 VanDerWaalsContact O-N 3.09Å; D125-I127 VanDerWaalsContact OD1-C 3.31Å; D125-I127 WeakPolarHBondContact OD1-CA 3.18Å; D125-I127 WeakPolarHBondContact OD1-CG1 3.35Å; D125-I127 PolarHBondContact OD1-N 3.33Å; D125-I127 WeakPolarHBondContact OD2-CG1 3.2Å; D125-G128 PolarHBondContact O-N 2.91Å; D125-G128 PolarHBondContact OD1-N 2.85Å; D125-C129 HydrophobicContact CB-CB 4.48Å; D125-C129 VanDerWaalsContact CG-CB 3.42Å; D125-C129 PolarHBondContact N-O 3Å; D125-C129 WeakPolarHBondContact OD1-CB 3.42Å; D125-C129 PolarHBondContact OD1-N 3.46Å; D125-C129 WeakPolarHBondContact OD2-CB 3.43Å
126L97.1Very high97.1Very high41 Ų4149.9 Ų49.922%0.21528%0.276CS..THydrogen-bonded Turntrans-66.4-7.8-178.868.299000115.3L4 P102 V105 E106L4-L126 HydrophobicContact CD1-CD2 3.99Å; P102-L126 HydrophobicContact CB-CD1 3.49Å; P102-L126 VanDerWaalsContact CB-CD1 3.49Å; P102-L126 HydrophobicContact CG-CD1 3.53Å; V105-L126 VanDerWaalsContact O-CA 3.23Å; V105-L126 WeakPolarHBondContact O-CA 3.4Å; V105-L126 WeakPolarHBondContact O-CB 3.3Å; E106-L126 HydrophobicContact CG-CB 4.4Å
127I97.4Very high97.4Very high46 Ų4646.3 Ų46.324%0.23625%0.254CS..THydrogen-bonded Turntrans-109.94.6174.360.8172.6000112.8Y96 P102 D125Y96-I127 VanDerWaalsContact CD2-O 3.31Å; Y96-I127 WeakPolarHBondContact CD2-O 3.08Å; P102-I127 HydrophobicContact CB-CG2 4.31Å; D125-I127 PolarHBondContact O-N 2.98Å; D125-I127 VanDerWaalsContact O-N 3.09Å; D125-I127 VanDerWaalsContact OD1-C 3.31Å; D125-I127 WeakPolarHBondContact OD1-CA 3.18Å; D125-I127 WeakPolarHBondContact OD1-CG1 3.35Å; D125-I127 PolarHBondContact OD1-N 3.33Å; D125-I127 WeakPolarHBondContact OD2-CG1 3.2Å
128G97.5Very high97.7Very high5 Ų544.3 Ų44.35%0.05224%0.244CC..  trans91.518.3173.200000115.7S92 D125 V130S92-G128 WeakPolarHBondContact CB-O 3.36Å; S92-G128 PolarHBondContact OG-O 2.82Å; D125-G128 PolarHBondContact O-N 2.91Å; D125-G128 PolarHBondContact OD1-N 2.85Å; G128-V130 PolarHBondContact O-N 3.03Å
129C98.3Very high97.8Very high81 Ų8137.7 Ų37.755%0.54722%0.215SC..  trans-70.8118.5169.3-170.60000109.9M124 D125M124-C129 WeakPolarHBondContact CA-O 3.48Å; M124-C129 WeakPolarHBondContact CB-O 3.43Å; D125-C129 HydrophobicContact CB-CB 4.48Å; D125-C129 VanDerWaalsContact CG-CB 3.42Å; D125-C129 PolarHBondContact N-O 3Å; D125-C129 WeakPolarHBondContact OD1-CB 3.42Å; D125-C129 PolarHBondContact OD1-N 3.46Å; D125-C129 WeakPolarHBondContact OD2-CB 3.43Å
130V98.3Very high97.8Very high52 Ų5236.7 Ų36.732%0.31521%0.213SC..EExtended strand (participates in β ladder)trans-85.7132.1-176-178.90000110.6T88 G128 E132T88-V130 HydrophobicContact CG2-CB 4.37Å; T88-V130 HydrophobicContact CG2-CG1 3.51Å; T88-V130 HydrophobicContact CG2-CG2 3.87Å; G128-V130 PolarHBondContact O-N 3.03Å; V130-E132 HydrophobicContact CG1-CG 3.73Å
131C98.1Very high97.8Very high68 Ų6838 Ų3846%0.45922%0.222SC..EExtended strand (participates in β ladder)trans-116.4108.7166.7-174.40000108.5A122 C123A122-C131 CarbonylContact C-O 3.53Å; A122-C131 VanDerWaalsContact CA-O 3.23Å; A122-C131 WeakPolarHBondContact CA-O 3.36Å; C123-C131 PolarHBondContact N-O 3.29Å; C123-C131 PolarHBondContact O-N 3.34Å
132E97.3Very high97.7Very high114 Ų11437.9 Ų37.953%0.53322%0.221SC..EExtended strand (participates in β ladder)trans-96.4136.2173-55.4-165.8159.300109.2Y120 A122 V130Y120-E132 HydrophobicContact CE2-CG 4.3Å; Y120-E132 WeakPolarHBondContact CE2-OE1 3.47Å; Y120-E132 PolarHBondContact OH-OE1 3.36Å; A122-E132 HydrophobicContact CB-CG 4.19Å; V130-E132 HydrophobicContact CG1-CG 3.73Å
133A96.2Very high97.7Very high22 Ų2240 Ų4018%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-134.9152.7-17800000110.7V121 D135 V137V121-A133 VanDerWaalsContact CG2-O 3.25Å; V121-A133 WeakPolarHBondContact CG2-O 3.3Å; V121-A133 PolarHBondContact O-N 3.5Å; A133-D135 VanDerWaalsContact CB-OD1 3.24Å; A133-D135 WeakPolarHBondContact CB-OD1 3.27Å; A133-V137 HydrophobicContact CB-CG1 3.71Å
134N95.9Very high97.6Very high154 Ų15446.9 Ų46.982%0.82427%0.265SS*.SBendtrans-94.7-4.7178.1-71.6-37.2000112.6S15S15-N134 VanDerWaalsContact OG-C 3.3Å; S15-N134 PolarHBondContact OG-O 2.97Å
135D98.1Very high97.6Very high51 Ų5149.7 Ų49.727%0.27328%0.278SS..SBendtrans-117.3-80.9-172.947.65000110.9M14 S15 A133 W154M14-D135 CarbonylContact C-O 3.45Å; M14-D135 WeakPolarHBondContact CA-O 3.49Å; S15-D135 PolarHBondContact N-O 2.82Å; S15-D135 PolarHBondContact OG-O 2.93Å; S15-D135 VanDerWaalsContact OG-O 3.04Å; A133-D135 VanDerWaalsContact CB-OD1 3.24Å; A133-D135 WeakPolarHBondContact CB-OD1 3.27Å; D135-W154 VanDerWaalsContact CA-CE2 3.5Å; D135-W154 VanDerWaalsContact CA-CZ2 3.42Å; D135-W154 HydrophobicContact CB-CD2 3.75Å; D135-W154 HydrophobicContact CB-CE3 3.82Å; D135-W154 HydrophobicContact CB-CH2 3.65Å; D135-W154 HydrophobicContact CB-CZ2 3.59Å; D135-W154 HydrophobicContact CB-CZ3 3.77Å; D135-W154 PolarHBondContact O-NE1 3.29Å
136F98.6Very high97.7Very high11 Ų1147.1 Ų47.15%0.04826%0.264CS..EExtended strand (participates in β ladder)trans-150.2158.1-177.563.8-94.6000111.5A13 M14 V138 Y147 C150 E151 W154A13-F136 CarbonylContact O-C 3.57Å; A13-F136 WeakPolarHBondContact O-CA 3.34Å; A13-F136 WeakPolarHBondContact O-CB 3.11Å; M14-F136 HydrophobicContact CB-CB 4.43Å; M14-F136 HydrophobicContact CG-CB 3.81Å; F136-V138 HydrophobicContact CD2-CG1 4.09Å; F136-Y147 AromaticContact CE2-CD1 3.78Å; F136-Y147 HydrophobicContact CE2-CD1 3.78Å; F136-Y147 HydrophobicContact CE2-CE1 4.09Å; F136-Y147 HydrophobicContact CZ-CD1 4.45Å; F136-C150 HydrophobicContact CD1-CB 3.75Å; F136-C150 HydrophobicContact CD2-CB 3.47Å; F136-C150 VanDerWaalsContact CD2-CB 3.47Å; F136-C150 HydrophobicContact CE1-CB 3.7Å; F136-C150 HydrophobicContact CE2-CB 3.41Å; F136-C150 VanDerWaalsContact CE2-CB 3.41Å; F136-C150 HydrophobicContact CG-CB 3.66Å; F136-C150 HydrophobicContact CZ-CB 3.54Å; F136-E151 HydrophobicContact CZ-CG 3.91Å; F136-W154 HydrophobicContact CD1-CB 4.04Å; F136-W154 HydrophobicContact CD1-CG 4.06Å; F136-W154 HydrophobicContact CE1-CB 4.43Å
137V98.6Very high97.8Very high4 Ų450.2 Ų50.22%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-136.5145.5172.5-66.20000109A13 V108 V121 C123 A133A13-V137 HydrophobicContact CB-CG2 3.82Å; A13-V137 PolarHBondContact N-O 3.08Å; A13-V137 PolarHBondContact O-N 3.21Å; V108-V137 HydrophobicContact CG1-CG2 3.7Å; V121-V137 HydrophobicContact CB-CG2 4.17Å; C123-V137 HydrophobicContact CB-CB 3.89Å; C123-V137 HydrophobicContact CB-CG1 4.37Å; C123-V137 HydrophobicContact CB-CG2 4.24Å; A133-V137 HydrophobicContact CB-CG1 3.71Å
138V98.5Very high97.8Very high5 Ų550 Ų503%0.0328%0.283CS..EExtended strand (participates in β ladder)trans-134.9147.3-176.3-54.90000109.7V11 I12 F136 T143 M146 Y147V11-V138 WeakPolarHBondContact O-CA 3.5Å; I12-V138 HydrophobicContact CG1-CG1 4.15Å; I12-V138 HydrophobicContact CG2-CG1 4.2Å; F136-V138 HydrophobicContact CD2-CG1 4.09Å; V138-T143 HydrophobicContact CG2-CG2 4.39Å; V138-M146 HydrophobicContact CB-CB 3.98Å; V138-M146 HydrophobicContact CB-CE 4Å; V138-M146 HydrophobicContact CB-SD 4.29Å; V138-M146 HydrophobicContact CG1-CB 3.76Å; V138-M146 HydrophobicContact CG2-CB 4.34Å; V138-Y147 HydrophobicContact CG2-CD1 4.03Å; V138-Y147 HydrophobicContact CG2-CD2 3.71Å; V138-Y147 HydrophobicContact CG2-CE1 3.7Å; V138-Y147 HydrophobicContact CG2-CE2 3.36Å; V138-Y147 HydrophobicContact CG2-CG 4Å
139S98.3Very high97.8Very high5 Ų552 Ų524%0.03529%0.291CS..EExtended strand (participates in β ladder)trans-157149.4168.2171.90000111V11 P54 E106V11-S139 PolarHBondContact N-O 2.64Å; V11-S139 PolarHBondContact O-N 2.96Å; P54-S139 WeakPolarHBondContact CG-OG 3.35Å; E106-S139 WeakPolarHBondContact CB-OG 3.24Å; E106-S139 PolarHBondContact O-OG 2.97Å; E106-S139 PolarHBondContact OE2-OG 3.04Å
140G97.4Very high97.9Very high19 Ų1948.1 Ų48.120%0.19627%0.265CS..EExtended strand (participates in β ladder)trans142-162.9-17500000113.3S9 T143S9-G140 CarbonylContact O-C 3.51Å; S9-G140 WeakPolarHBondContact O-CA 3.46Å; G140-T143 WeakPolarHBondContact O-CG2 3.49Å
141T97.2Very high97.9Very high41 Ų4152 Ų5225%0.25228%0.28SS..THydrogen-bonded Turntrans-82.9-19.1179.944.60000113.8A5 S9 D178 V180 S181A5-T141 HydrophobicContact CB-CG2 3.74Å; S9-T141 PolarHBondContact O-N 3.46Å; S9-T141 PolarHBondContact O-OG1 3.37Å; T141-D178 WeakPolarHBondContact CB-OD2 3.29Å; T141-D178 PolarHBondContact OG1-OD2 2.84Å; T141-V180 HydrophobicContact CG2-CG2 3.91Å; T141-S181 PolarHBondContact OG1-OG 3.09Å
142C96.7Very high97.8Very high0 Ų054 Ų540%029%0.291CS..THydrogen-bonded Turntrans-114.739.1-176.869.60000113.3A10 E144 Q145 M146 D178A10-C142 VanDerWaalsContact CB-SG 3.52Å; C142-E144 PolarHBondContact O-N 2.98Å; C142-Q145 HydrophobicContact CB-CB 4.47Å; C142-Q145 PolarHBondContact O-N 3.37Å; C142-Q145 PolarHBondContact O-OE1 3.17Å; C142-M146 WeakPolarHBondContact O-CG 3.47Å; C142-M146 PolarHBondContact O-N 2.82Å; C142-D178 HydrophobicContact CB-CB 3.58Å
143T97.6Very high97.9Very high45 Ų4551.6 Ų51.628%0.27628%0.281SS..Hα-helixtrans-59.5-43.4-175.445.30000112.6V138 G140 Q145 M146 Y147V138-T143 HydrophobicContact CG2-CG2 4.39Å; G140-T143 WeakPolarHBondContact O-CG2 3.49Å; T143-Q145 VanDerWaalsContact C-N 3.32Å; T143-Q145 PolarHBondContact O-N 2.75Å; T143-M146 HydrophobicContact CG2-CE 4.06Å; T143-M146 PolarHBondContact O-N 3.08Å; T143-Y147 WeakPolarHBondContact O-CD2 3.12Å; T143-Y147 PolarHBondContact O-N 3.04Å
144E97.6Very high98Very high160 Ų16053.3 Ų53.375%0.74828%0.283SS*.Hα-helixtrans-59-42.5178.6-64.9-176.8178.600112.3C142 G148C142-E144 PolarHBondContact O-N 2.98Å; E144-G148 PolarHBondContact O-N 2.93Å
145Q98.2Very high98.1Very high65 Ų6552.7 Ų52.730%0.30428%0.275SS..Hα-helixtrans-68.1-40.5177.6-61.483.4-10.400111.2C142 T143 G148 M149 A174 R177C142-Q145 HydrophobicContact CB-CB 4.47Å; C142-Q145 PolarHBondContact O-N 3.37Å; C142-Q145 PolarHBondContact O-OE1 3.17Å; T143-Q145 VanDerWaalsContact C-N 3.32Å; T143-Q145 PolarHBondContact O-N 2.75Å; Q145-G148 PolarHBondContact O-N 2.84Å; Q145-M149 WeakPolarHBondContact O-CG 3.11Å; Q145-M149 PolarHBondContact O-N 2.9Å; Q145-M149 VanDerWaalsContact O-N 3.12Å; Q145-A174 HydrophobicContact CB-CB 3.87Å; Q145-R177 HydrophobicContact CG-CB 3.88Å
146M98.5Very high98Very high0 Ų057.3 Ų57.30%030%0.295CS..Hα-helixtrans-65.5-45.7176.3-67.4-174.1-70.900111.3A10 I12 V138 C142 T143 G148 M149 C150 A174A10-M146 HydrophobicContact CB-CE 4.23Å; A10-M146 HydrophobicContact CB-SD 3.89Å; I12-M146 HydrophobicContact CD1-CB 4.1Å; I12-M146 HydrophobicContact CD1-CG 3.76Å; I12-M146 HydrophobicContact CD1-SD 3.71Å; I12-M146 HydrophobicContact CG1-CB 4.34Å; I12-M146 HydrophobicContact CG1-CG 3.99Å; I12-M146 HydrophobicContact CG1-SD 3.28Å; I12-M146 WeakPolarHBondContact CG1-SD 3.14Å; V138-M146 HydrophobicContact CB-CB 3.98Å; V138-M146 HydrophobicContact CB-CE 4Å; V138-M146 HydrophobicContact CB-SD 4.29Å; V138-M146 HydrophobicContact CG1-CB 3.76Å; V138-M146 HydrophobicContact CG2-CB 4.34Å; C142-M146 WeakPolarHBondContact O-CG 3.47Å; C142-M146 PolarHBondContact O-N 2.82Å; T143-M146 HydrophobicContact CG2-CE 4.06Å; T143-M146 PolarHBondContact O-N 3.08Å; M146-G148 PolarHBondContact O-N 3.23Å; M146-M149 PolarHBondContact O-N 2.89Å; M146-C150 WeakPolarHBondContact O-CB 3.18Å; M146-C150 PolarHBondContact O-N 3.49Å; M146-C150 PolarHBondContact O-SG 2.82Å; M146-A174 HydrophobicContact CB-CB 4.4Å; M146-A174 HydrophobicContact CG-CB 3.6Å
147Y98.6Very high97.9Very high106 Ų10661.4 Ų61.442%0.41632%0.317SS..Hα-helixtrans-56.1-50.7173.8-81.2-64.2000111.1F136 V138 T143 M149 C150 E151F136-Y147 AromaticContact CE2-CD1 3.78Å; F136-Y147 HydrophobicContact CE2-CD1 3.78Å; F136-Y147 HydrophobicContact CE2-CE1 4.09Å; F136-Y147 HydrophobicContact CZ-CD1 4.45Å; V138-Y147 HydrophobicContact CG2-CD1 4.03Å; V138-Y147 HydrophobicContact CG2-CD2 3.71Å; V138-Y147 HydrophobicContact CG2-CE1 3.7Å; V138-Y147 HydrophobicContact CG2-CE2 3.36Å; V138-Y147 HydrophobicContact CG2-CG 4Å; T143-Y147 WeakPolarHBondContact O-CD2 3.12Å; T143-Y147 PolarHBondContact O-N 3.04Å; Y147-M149 VanDerWaalsContact C-N 3.28Å; Y147-M149 PolarHBondContact O-N 3.24Å; Y147-C150 PolarHBondContact O-N 2.79Å; Y147-E151 WeakPolarHBondContact O-CB 3.03Å; Y147-E151 VanDerWaalsContact O-CG 3.23Å; Y147-E151 WeakPolarHBondContact O-CG 3.3Å; Y147-E151 PolarHBondContact O-N 3.44Å
148G98.3Very high97.9Very high41 Ų4161.8 Ų61.842%0.42332%0.319SS..Hα-helixtrans-57.5-39.3-179.800000113.6E144 Q145 M146 T152E144-G148 PolarHBondContact O-N 2.93Å; Q145-G148 PolarHBondContact O-N 2.84Å; M146-G148 PolarHBondContact O-N 3.23Å; G148-T152 PolarHBondContact O-OG1 3.19Å
149M98.4Very high97.8Very high47 Ų4764.9 Ų64.923%0.23234%0.335CS..Hα-helixtrans-73.5-45.4176.4-68.4-58.1-52.500112.6Q145 M146 Y147 T152 L153 C170 N173Q145-M149 WeakPolarHBondContact O-CG 3.11Å; Q145-M149 PolarHBondContact O-N 2.9Å; Q145-M149 VanDerWaalsContact O-N 3.12Å; M146-M149 PolarHBondContact O-N 2.89Å; Y147-M149 VanDerWaalsContact C-N 3.28Å; Y147-M149 PolarHBondContact O-N 3.24Å; M149-T152 PolarHBondContact O-N 2.84Å; M149-L153 HydrophobicContact CE-CD1 3.58Å; M149-L153 HydrophobicContact CE-CG 4.31Å; M149-L153 PolarHBondContact O-N 2.86Å; M149-C170 HydrophobicContact CB-CB 4.02Å; M149-N173 HydrophobicContact CE-CB 3.76Å; M149-N173 HydrophobicContact CG-CB 4.1Å; M149-N173 HydrophobicContact SD-CB 3.74Å
150C98.4Very high97.8Very high0 Ų066.1 Ų66.10%034%0.344CS..Hα-helixtrans-67-42.5-176.1-62.30000111.9M14 F136 M146 Y147 T152 L153 W154M14-C150 HydrophobicContact CE-CB 4.03Å; M14-C150 WeakPolarHBondContact CE-SG 3.24Å; F136-C150 HydrophobicContact CD1-CB 3.75Å; F136-C150 HydrophobicContact CD2-CB 3.47Å; F136-C150 VanDerWaalsContact CD2-CB 3.47Å; F136-C150 HydrophobicContact CE1-CB 3.7Å; F136-C150 HydrophobicContact CE2-CB 3.41Å; F136-C150 VanDerWaalsContact CE2-CB 3.41Å; F136-C150 HydrophobicContact CG-CB 3.66Å; F136-C150 HydrophobicContact CZ-CB 3.54Å; M146-C150 WeakPolarHBondContact O-CB 3.18Å; M146-C150 PolarHBondContact O-N 3.49Å; M146-C150 PolarHBondContact O-SG 2.82Å; Y147-C150 PolarHBondContact O-N 2.79Å; C150-T152 PolarHBondContact O-N 3.08Å; C150-L153 PolarHBondContact O-N 2.84Å; C150-W154 WeakPolarHBondContact O-CB 3.03Å; C150-W154 PolarHBondContact O-N 3.23Å
151E98.4Very high97.8Very high133 Ų13372.6 Ų72.662%0.62137%0.367SS*.Hα-helixtrans-59.5-28.4174.3-71.5-70.2171.200112.7F136 Y147F136-E151 HydrophobicContact CZ-CG 3.91Å; Y147-E151 WeakPolarHBondContact O-CB 3.03Å; Y147-E151 VanDerWaalsContact O-CG 3.23Å; Y147-E151 WeakPolarHBondContact O-CG 3.3Å; Y147-E151 PolarHBondContact O-N 3.44Å
152T97.8Very high97.8Very high112 Ų11275.3 Ų75.369%0.68738%0.376SS*.Hα-helixtrans-86.4-35.5-178.2-56.50000112.6G148 M149 C150G148-T152 PolarHBondContact O-OG1 3.19Å; M149-T152 PolarHBondContact O-N 2.84Å; C150-T152 PolarHBondContact O-N 3.08Å
153L98.2Very high97.9Very high63 Ų6375.3 Ų75.333%0.3338%0.376SS..Hα-helixtrans-106.4-23.9-168.2-65.1-177.8000114.4M149 C150 Q169M149-L153 HydrophobicContact CE-CD1 3.58Å; M149-L153 HydrophobicContact CE-CG 4.31Å; M149-L153 PolarHBondContact O-N 2.86Å; C150-L153 PolarHBondContact O-N 2.84Å; L153-Q169 HydrophobicContact CD1-CB 3.74Å
154W98.5Very high98Very high57 Ų5775 Ų7522%0.21637%0.371CS..  trans-73.6131.7-177.6-177.693000110.6S15 D135 F136 C150 E156 M158S15-W154 PolarHBondContact O-NE1 3.24Å; S15-W154 VanDerWaalsContact O-NE1 3.08Å; D135-W154 VanDerWaalsContact CA-CE2 3.5Å; D135-W154 VanDerWaalsContact CA-CZ2 3.42Å; D135-W154 HydrophobicContact CB-CD2 3.75Å; D135-W154 HydrophobicContact CB-CE3 3.82Å; D135-W154 HydrophobicContact CB-CH2 3.65Å; D135-W154 HydrophobicContact CB-CZ2 3.59Å; D135-W154 HydrophobicContact CB-CZ3 3.77Å; D135-W154 PolarHBondContact O-NE1 3.29Å; F136-W154 HydrophobicContact CD1-CB 4.04Å; F136-W154 HydrophobicContact CD1-CG 4.06Å; F136-W154 HydrophobicContact CE1-CB 4.43Å; C150-W154 WeakPolarHBondContact O-CB 3.03Å; C150-W154 PolarHBondContact O-N 3.23Å; W154-E156 HydrophobicContact CH2-CB 3.99Å; W154-E156 HydrophobicContact CH2-CG 4.11Å; W154-E156 HydrophobicContact CZ3-CB 4.38Å; W154-M158 HydrophobicContact CB-CE 4.35Å; W154-M158 HydrophobicContact CD2-CE 4.5Å; W154-M158 HydrophobicContact CG-CE 3.84Å
155E98Very high98Very high141 Ų14171.9 Ų71.966%0.65936%0.357SS*.  trans-124148.8173.6-65-176.2178.200110.8M158E155-M158 HydrophobicContact CB-CG 4.15Å; E155-M158 WeakPolarHBondContact O-CE 3.22Å; E155-M158 WeakPolarHBondContact O-CG 3.46Å
156E96.7Very high98Very high148 Ų14869.3 Ų69.369%0.69235%0.346SS*.THydrogen-bonded Turntrans-65139.3176.7-156.3-166.9150.300110.8W154 M158W154-E156 HydrophobicContact CH2-CB 3.99Å; W154-E156 HydrophobicContact CH2-CG 4.11Å; W154-E156 HydrophobicContact CZ3-CB 4.38Å; E156-M158 PolarHBondContact O-N 2.98Å
157N96Very high98Very high98 Ų9869.3 Ų69.352%0.52435%0.346SS..THydrogen-bonded Turntrans65.425.7174.6-55.8-69.3000116.6K17 N159K17-N157 HydrophobicContact CB-CB 4.37Å; K17-N157 WeakPolarHBondContact CB-O 3.04Å; N157-N159 PolarHBondContact O-N 3.21Å
158M97.9Very high98Very high11 Ų1164.4 Ų64.45%0.05433%0.327CS..  trans-53.2135.7170.1-75.7-175.3-72.600112.3K17 W154 E155 E156 E162 L163 C166K17-M158 PolarHBondContact N-O 3.16Å; W154-M158 HydrophobicContact CB-CE 4.35Å; W154-M158 HydrophobicContact CD2-CE 4.5Å; W154-M158 HydrophobicContact CG-CE 3.84Å; E155-M158 HydrophobicContact CB-CG 4.15Å; E155-M158 WeakPolarHBondContact O-CE 3.22Å; E155-M158 WeakPolarHBondContact O-CG 3.46Å; E156-M158 PolarHBondContact O-N 2.98Å; M158-E162 WeakPolarHBondContact CA-OE2 3.48Å; M158-E162 HydrophobicContact CB-CB 3.86Å; M158-E162 HydrophobicContact CG-CB 4Å; M158-E162 HydrophobicContact SD-CB 4.33Å; M158-L163 HydrophobicContact CB-CB 4.42Å; M158-L163 HydrophobicContact CE-CD1 3.82Å; M158-C166 HydrophobicContact CE-CB 4.19Å; M158-C166 HydrophobicContact SD-CB 3.77Å
159N97.4Very high98Very high70 Ų7066.4 Ų66.437%0.37433%0.326SS..  trans-72.1171.9169.668.256.1000111.6N157 K161 E162 L163N157-N159 PolarHBondContact O-N 3.21Å; N159-K161 VanDerWaalsContact C-N 3.26Å; N159-K161 PolarHBondContact O-N 3.42Å; N159-K161 WeakPolarHBondContact OD1-CB 3.13Å; N159-K161 PolarHBondContact OD1-N 3.07Å; N159-E162 VanDerWaalsContact CG-CD 3.5Å; N159-E162 VanDerWaalsContact CG-OE2 3.28Å; N159-E162 PolarHBondContact N-OE2 2.77Å; N159-E162 PolarHBondContact ND2-OE1 3.34Å; N159-E162 PolarHBondContact ND2-OE2 2.92Å; N159-E162 PolarHBondContact O-N 3.07Å; N159-E162 PolarHBondContact OD1-N 3.21Å; N159-L163 WeakPolarHBondContact O-CB 3.08Å; N159-L163 PolarHBondContact O-N 3.12Å
160S97.5Very high98Very high32 Ų3264.2 Ų64.222%0.22432%0.315CS..Hα-helixtrans-61.3-31.7-173.861.10000114.1F164 E191S160-F164 WeakPolarHBondContact O-CB 3.23Å; S160-F164 PolarHBondContact O-N 3.14Å; S160-F164 VanDerWaalsContact O-N 3.08Å; S160-E191 WeakPolarHBondContact CB-OE1 3.45Å; S160-E191 PolarHBondContact OG-OE1 2.98Å
161K97.7Very high98Very high154 Ų15464.2 Ų64.267%0.6732%0.315SS*.Hα-helixtrans-74.1-44.3175.9-175.2-178.4176.5-1750112N159 L163 F164 E165N159-K161 VanDerWaalsContact C-N 3.26Å; N159-K161 PolarHBondContact O-N 3.42Å; N159-K161 WeakPolarHBondContact OD1-CB 3.13Å; N159-K161 PolarHBondContact OD1-N 3.07Å; K161-L163 VanDerWaalsContact C-N 3.35Å; K161-F164 PolarHBondContact O-N 3.27Å; K161-E165 PolarHBondContact O-N 3.43Å
162E98.3Very high98Very high98 Ų9859.2 Ų59.246%0.45829%0.292SS..Hα-helixtrans-61.1-45.3175-74160.2-176.600110.9M158 N159 F164 E165 C166M158-E162 WeakPolarHBondContact CA-OE2 3.48Å; M158-E162 HydrophobicContact CB-CB 3.86Å; M158-E162 HydrophobicContact CG-CB 4Å; M158-E162 HydrophobicContact SD-CB 4.33Å; N159-E162 VanDerWaalsContact CG-CD 3.5Å; N159-E162 VanDerWaalsContact CG-OE2 3.28Å; N159-E162 PolarHBondContact N-OE2 2.77Å; N159-E162 PolarHBondContact ND2-OE1 3.34Å; N159-E162 PolarHBondContact ND2-OE2 2.92Å; N159-E162 PolarHBondContact O-N 3.07Å; N159-E162 PolarHBondContact OD1-N 3.21Å; E162-F164 VanDerWaalsContact C-N 3.33Å; E162-F164 PolarHBondContact O-N 3.08Å; E162-E165 PolarHBondContact O-N 3.07Å; E162-C166 VanDerWaalsContact O-CB 3.3Å; E162-C166 WeakPolarHBondContact O-CB 3.18Å; E162-C166 PolarHBondContact O-N 2.77Å
163L98.6Very high98Very high0 Ų056.9 Ų56.90%028%0.276CS..Hα-helixtrans-61-42.5177.7-172.467.2000111.7M14 S15 C19 A21 M158 N159 K161 C166 I167 L189M14-L163 HydrophobicContact CB-CD1 3.65Å; M14-L163 HydrophobicContact SD-CD1 4.43Å; S15-L163 VanDerWaalsContact O-CD1 3.3Å; S15-L163 WeakPolarHBondContact O-CD1 3.09Å; C19-L163 HydrophobicContact CB-CD2 4.47Å; A21-L163 HydrophobicContact CB-CD2 3.86Å; A21-L163 HydrophobicContact CB-CG 4.01Å; M158-L163 HydrophobicContact CB-CB 4.42Å; M158-L163 HydrophobicContact CE-CD1 3.82Å; N159-L163 WeakPolarHBondContact O-CB 3.08Å; N159-L163 PolarHBondContact O-N 3.12Å; K161-L163 VanDerWaalsContact C-N 3.35Å; L163-C166 PolarHBondContact O-N 3.23Å; L163-I167 WeakPolarHBondContact O-CG2 3.48Å; L163-I167 PolarHBondContact O-N 3.43Å; L163-L189 HydrophobicContact CD2-CD1 4.21Å
164F98.6Very high98Very high39 Ų3954 Ų5417%0.17126%0.26CS..Hα-helixtrans-61.1-46.2176.1176-97.8000112.3S160 K161 E162 I167 S168 V187 L189 L200S160-F164 WeakPolarHBondContact O-CB 3.23Å; S160-F164 PolarHBondContact O-N 3.14Å; S160-F164 VanDerWaalsContact O-N 3.08Å; K161-F164 PolarHBondContact O-N 3.27Å; E162-F164 VanDerWaalsContact C-N 3.33Å; E162-F164 PolarHBondContact O-N 3.08Å; F164-I167 WeakPolarHBondContact O-CG2 3.36Å; F164-S168 WeakPolarHBondContact O-CB 3.28Å; F164-S168 PolarHBondContact O-N 2.98Å; F164-S168 VanDerWaalsContact O-N 3.09Å; F164-S168 PolarHBondContact O-OG 3.14Å; F164-V187 HydrophobicContact CD2-CB 4.39Å; F164-V187 HydrophobicContact CD2-CG1 3.86Å; F164-V187 HydrophobicContact CE2-CB 4Å; F164-V187 HydrophobicContact CE2-CG1 3.98Å; F164-V187 HydrophobicContact CE2-CG2 4.42Å; F164-L189 HydrophobicContact CB-CD2 4.25Å; F164-L200 HydrophobicContact CZ-CD2 3.99Å
165E98.4Very high98Very high94 Ų9451.4 Ų51.444%0.43925%0.251SS..Hα-helixtrans-66.2-43.5177.3-69.9-60.8151.300111.4K161 E162 S168 Q169K161-E165 PolarHBondContact O-N 3.43Å; E162-E165 PolarHBondContact O-N 3.07Å; E165-S168 PolarHBondContact O-N 3.01Å; E165-Q169 WeakPolarHBondContact O-CG 3.3Å; E165-Q169 PolarHBondContact O-N 3.24Å
166C98.6Very high97.9Very high11 Ų1147.9 Ų47.97%0.07424%0.237CC..Hα-helixtrans-58-56.4177.9176.80000111.6M158 E162 L163 S168 Q169 C170M158-C166 HydrophobicContact CE-CB 4.19Å; M158-C166 HydrophobicContact SD-CB 3.77Å; E162-C166 VanDerWaalsContact O-CB 3.3Å; E162-C166 WeakPolarHBondContact O-CB 3.18Å; E162-C166 PolarHBondContact O-N 2.77Å; L163-C166 PolarHBondContact O-N 3.23Å; C166-S168 VanDerWaalsContact C-N 3.25Å; C166-S168 PolarHBondContact O-N 2.97Å; C166-Q169 PolarHBondContact O-N 3.28Å; C166-C170 PolarHBondContact O-N 3.04Å; C166-C170 PolarHBondContact O-SG 2.78Å; C166-C170 VanDerWaalsContact O-SG 3.33Å
167I98.7Very high97.9Very high0 Ų050.6 Ų50.60%024%0.241CC..Hα-helixtrans-62.9-35-179-162.2170.7000111.8I12 M14 A21 A23 L163 F164 C170 I171 V187I12-I167 HydrophobicContact CB-CD1 4.45Å; I12-I167 HydrophobicContact CB-CG1 4.4Å; I12-I167 HydrophobicContact CG2-CD1 4.22Å; I12-I167 HydrophobicContact CG2-CG1 4.1Å; M14-I167 HydrophobicContact CB-CD1 4.5Å; M14-I167 HydrophobicContact CE-CB 4.42Å; M14-I167 HydrophobicContact CE-CG1 4.37Å; M14-I167 HydrophobicContact CG-CB 4.43Å; M14-I167 HydrophobicContact CG-CD1 4.17Å; M14-I167 HydrophobicContact CG-CG1 4.21Å; M14-I167 HydrophobicContact SD-CB 3.66Å; M14-I167 HydrophobicContact SD-CD1 4.49Å; M14-I167 HydrophobicContact SD-CG1 3.95Å; A21-I167 HydrophobicContact CB-CD1 3.7Å; A21-I167 HydrophobicContact CB-CG2 4.1Å; A23-I167 HydrophobicContact CB-CD1 3.72Å; A23-I167 HydrophobicContact CB-CG1 3.9Å; L163-I167 WeakPolarHBondContact O-CG2 3.48Å; L163-I167 PolarHBondContact O-N 3.43Å; F164-I167 WeakPolarHBondContact O-CG2 3.36Å; I167-C170 PolarHBondContact O-N 3.47Å; I167-I171 WeakPolarHBondContact O-CG2 3.13Å; I167-I171 PolarHBondContact O-N 2.92Å; I167-V187 HydrophobicContact CG2-CG1 3.66Å; I167-V187 HydrophobicContact CG2-CG2 4.37Å
168S98.5Very high97.9Very high4 Ų447.3 Ų47.33%0.02822%0.223CC..Hα-helixtrans-64.4-48176.5-63.40000111.4F164 E165 C166 C170 I171 L172F164-S168 WeakPolarHBondContact O-CB 3.28Å; F164-S168 PolarHBondContact O-N 2.98Å; F164-S168 VanDerWaalsContact O-N 3.09Å; F164-S168 PolarHBondContact O-OG 3.14Å; E165-S168 PolarHBondContact O-N 3.01Å; C166-S168 VanDerWaalsContact C-N 3.25Å; C166-S168 PolarHBondContact O-N 2.97Å; S168-C170 PolarHBondContact O-N 2.8Å; S168-I171 WeakPolarHBondContact O-CG2 3.26Å; S168-L172 VanDerWaalsContact O-CB 3.28Å; S168-L172 WeakPolarHBondContact O-CB 3.13Å; S168-L172 WeakPolarHBondContact O-CD1 3.18Å; S168-L172 WeakPolarHBondContact O-CG 3.43Å; S168-L172 PolarHBondContact O-N 2.94Å
169Q98.3Very high97.9Very high83 Ų8350.3 Ų50.339%0.38825%0.249SC..Hα-helixtrans-64.8-40.5176.8-68.7-56.4-3900111.7L153 E165 C166 N173L153-Q169 HydrophobicContact CD1-CB 3.74Å; E165-Q169 WeakPolarHBondContact O-CG 3.3Å; E165-Q169 PolarHBondContact O-N 3.24Å; C166-Q169 PolarHBondContact O-N 3.28Å; Q169-N173 WeakPolarHBondContact O-CB 3.44Å; Q169-N173 PolarHBondContact O-N 3.36Å; Q169-N173 VanDerWaalsContact O-N 3.14Å; Q169-N173 PolarHBondContact O-ND2 3.02Å; Q169-N173 PolarHBondContact OE1-ND2 2.88Å
170C98.5Very high97.8Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-60.7-51.5177.9-71.90000112.1I12 M14 M149 C166 I167 S168 A174I12-C170 HydrophobicContact CD1-CB 4.12Å; M14-C170 HydrophobicContact CE-CB 3.84Å; M14-C170 VanDerWaalsContact CE-SG 3.6Å; M149-C170 HydrophobicContact CB-CB 4.02Å; C166-C170 PolarHBondContact O-N 3.04Å; C166-C170 PolarHBondContact O-SG 2.78Å; C166-C170 VanDerWaalsContact O-SG 3.33Å; I167-C170 PolarHBondContact O-N 3.47Å; S168-C170 PolarHBondContact O-N 2.8Å; C170-A174 VanDerWaalsContact O-CB 3.26Å; C170-A174 WeakPolarHBondContact O-CB 3.35Å; C170-A174 PolarHBondContact O-N 3.45Å
171I98.1Very high97.8Very high0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-68.4-42.6-176.4-158.3172.6000111.5I12 A23 I167 S168 N173 A174 L175 A185 L200I12-I171 HydrophobicContact CD1-CB 3.96Å; I12-I171 HydrophobicContact CD1-CG1 4.21Å; A23-I171 HydrophobicContact CB-CD1 3.64Å; A23-I171 HydrophobicContact CB-CG2 4.5Å; I167-I171 WeakPolarHBondContact O-CG2 3.13Å; I167-I171 PolarHBondContact O-N 2.92Å; S168-I171 WeakPolarHBondContact O-CG2 3.26Å; I171-N173 PolarHBondContact O-N 3.37Å; I171-A174 PolarHBondContact O-N 3.36Å; I171-L175 HydrophobicContact CD1-CD1 4.34Å; I171-L175 HydrophobicContact CG1-CD1 3.78Å; I171-L175 HydrophobicContact CG1-CG 4.1Å; I171-L175 WeakPolarHBondContact O-CB 3.4Å; I171-L175 WeakPolarHBondContact O-CG 3.02Å; I171-L175 PolarHBondContact O-N 3.06Å; I171-A185 HydrophobicContact CD1-CB 4.23Å; I171-A185 HydrophobicContact CG2-CB 3.99Å; I171-L200 HydrophobicContact CG2-CD1 3.98Å
172L97.9Very high97.7Very high28 Ų2838.9 Ų38.915%0.14719%0.194CC..Hα-helixtrans-61.3-46-179.3-71.4173.2000112.2S168 N176 L200 M202S168-L172 VanDerWaalsContact O-CB 3.28Å; S168-L172 WeakPolarHBondContact O-CB 3.13Å; S168-L172 WeakPolarHBondContact O-CD1 3.18Å; S168-L172 WeakPolarHBondContact O-CG 3.43Å; S168-L172 PolarHBondContact O-N 2.94Å; L172-N176 PolarHBondContact O-N 3.26Å; L172-N176 PolarHBondContact O-ND2 2.79Å; L172-N176 VanDerWaalsContact O-ND2 3.08Å; L172-L200 HydrophobicContact CD1-CD1 4.19Å; L172-L200 HydrophobicContact CD2-CB 4.13Å; L172-L200 HydrophobicContact CD2-CD1 4.28Å; L172-L200 HydrophobicContact CG-CD1 4.03Å; L172-M202 HydrophobicContact CD2-CB 3.34Å; L172-M202 HydrophobicContact CD2-CG 4.34Å; L172-M202 HydrophobicContact CD2-SD 4.43Å
173N97.9Very high97.6Very high64 Ų6435.6 Ų35.634%0.34218%0.177SC..Hα-helixtrans-73.3-35.7-177.8-71.2-61.1000112.4M149 Q169 I171M149-N173 HydrophobicContact CE-CB 3.76Å; M149-N173 HydrophobicContact CG-CB 4.1Å; M149-N173 HydrophobicContact SD-CB 3.74Å; Q169-N173 WeakPolarHBondContact O-CB 3.44Å; Q169-N173 PolarHBondContact O-N 3.36Å; Q169-N173 VanDerWaalsContact O-N 3.14Å; Q169-N173 PolarHBondContact O-ND2 3.02Å; Q169-N173 PolarHBondContact OE1-ND2 2.88Å; I171-N173 PolarHBondContact O-N 3.37Å
174A98.1Very high97.5Very high1 Ų136 Ų361%0.00818%0.181CC..Hα-helixtrans-65.7-46175.700000111.8Q145 M146 C170 I171 N176 R177Q145-A174 HydrophobicContact CB-CB 3.87Å; M146-A174 HydrophobicContact CB-CB 4.4Å; M146-A174 HydrophobicContact CG-CB 3.6Å; C170-A174 VanDerWaalsContact O-CB 3.26Å; C170-A174 WeakPolarHBondContact O-CB 3.35Å; C170-A174 PolarHBondContact O-N 3.45Å; I171-A174 PolarHBondContact O-N 3.36Å; A174-N176 VanDerWaalsContact C-N 3.32Å; A174-N176 PolarHBondContact O-N 3.37Å; A174-R177 PolarHBondContact O-N 2.81Å; A174-R177 VanDerWaalsContact O-N 3.07Å
175L97.6Very high97.4Very high3 Ų334.1 Ų34.12%0.01617%0.173CC..Hα-helixtrans-63-36.6-179.4-69.9175.3000113A10 D25 I171 R177 D178 A185 M202A10-L175 HydrophobicContact CB-CD2 3.61Å; D25-L175 HydrophobicContact CB-CD1 3.73Å; D25-L175 HydrophobicContact CB-CD2 3.71Å; D25-L175 HydrophobicContact CB-CG 4.39Å; I171-L175 HydrophobicContact CD1-CD1 4.34Å; I171-L175 HydrophobicContact CG1-CD1 3.78Å; I171-L175 HydrophobicContact CG1-CG 4.1Å; I171-L175 WeakPolarHBondContact O-CB 3.4Å; I171-L175 WeakPolarHBondContact O-CG 3.02Å; I171-L175 PolarHBondContact O-N 3.06Å; L175-R177 PolarHBondContact O-N 2.62Å; L175-D178 PolarHBondContact O-N 3.18Å; L175-A185 HydrophobicContact CD1-CB 4.15Å; L175-M202 HydrophobicContact CB-CE 3.78Å; L175-M202 HydrophobicContact CD1-CE 4.05Å; L175-M202 HydrophobicContact CD1-SD 3.78Å
176N96.5Very high97.4Very high68 Ų6832.6 Ų32.636%0.36416%0.163SC..THydrogen-bonded Turntrans-63.8-6.5176.7-69.8-25.2000113.9L172 A174 R203L172-N176 PolarHBondContact O-N 3.26Å; L172-N176 PolarHBondContact O-ND2 2.79Å; L172-N176 VanDerWaalsContact O-ND2 3.08Å; A174-N176 VanDerWaalsContact C-N 3.32Å; A174-N176 PolarHBondContact O-N 3.37Å; N176-R203 WeakPolarHBondContact OD1-CD 3.23Å; N176-R203 WeakPolarHBondContact OD1-CG 3.41Å
177R97.1Very high97.4Very high204 Ų20432.1 Ų32.177%0.7716%0.16SC*.THydrogen-bonded Turntrans-115.88.3178.7-64.6-59.7-178.7-174.3-1.8113.2Q145 A174 L175Q145-R177 HydrophobicContact CG-CB 3.88Å; A174-R177 PolarHBondContact O-N 2.81Å; A174-R177 VanDerWaalsContact O-N 3.07Å; L175-R177 PolarHBondContact O-N 2.62Å
178D96.9Very high97.4Very high30 Ų3032.8 Ų32.816%0.1616%0.163CC..  trans-119.3135.9174.3-173.617.2000110.9T141 C142 L175 V180 S181T141-D178 WeakPolarHBondContact CB-OD2 3.29Å; T141-D178 PolarHBondContact OG1-OD2 2.84Å; C142-D178 HydrophobicContact CB-CB 3.58Å; L175-D178 PolarHBondContact O-N 3.18Å; D178-V180 PolarHBondContact OD1-N 3.47Å; D178-S181 VanDerWaalsContact OD2-CB 3.23Å; D178-S181 WeakPolarHBondContact OD2-CB 3.15Å; D178-S181 PolarHBondContact OD2-OG 3.34Å
179A96.3Very high97.4Very high73 Ų7333.1 Ų33.160%0.60316%0.164SC*.SBendtrans-83.9-18.9-176.500000113.2
180V96.4Very high97.4Very high13 Ų1329.1 Ų29.18%0.07915%0.146CC..SBendtrans-1146.6-173.5-66.30000113.7G8 R27 L32 T141 D178G8-V180 VanDerWaalsContact CA-O 3.29Å; G8-V180 WeakPolarHBondContact CA-O 3.46Å; R27-V180 WeakPolarHBondContact CD-O 2.84Å; R27-V180 PolarHBondContact NH1-O 2.87Å; L32-V180 HydrophobicContact CD2-CG1 3.92Å; T141-V180 HydrophobicContact CG2-CG2 3.91Å; D178-V180 PolarHBondContact OD1-N 3.47Å
181S96.7Very high97.3Very high2 Ų231.9 Ų31.91%0.01416%0.158CC..SBendtrans-129.9151.5174.5-52.20000110.1S9 T141 D178S9-S181 VanDerWaalsContact C-OG 3.29Å; S9-S181 PolarHBondContact N-OG 3.1Å; S9-S181 PolarHBondContact O-OG 2.8Å; T141-S181 PolarHBondContact OG1-OG 3.09Å; D178-S181 VanDerWaalsContact OD2-CB 3.23Å; D178-S181 WeakPolarHBondContact OD2-CB 3.15Å; D178-S181 PolarHBondContact OD2-OG 3.34Å
182G96.4Very high97Very high1 Ų137.3 Ų37.31%0.0118%0.182CC..  trans140.9-137176.800000113.8D25 L26 R27 G184D25-G182 PolarHBondContact OD2-N 3.43Å; D25-G182 VanDerWaalsContact OD2-N 3.12Å; L26-G182 PolarHBondContact N-O 3.15Å; R27-G182 PolarHBondContact N-O 3.4Å; R27-G182 VanDerWaalsContact N-O 3.1Å; G182-G184 PolarHBondContact O-N 2.9Å; G182-G184 VanDerWaalsContact O-O 3.1Å
183W95.8Very high96.6Very high30 Ų3043.2 Ų43.211%0.11421%0.214CC..SBendtrans56.232.5179-70.4-93.8000114.8R27 T34 T37 M204 D205R27-W183 HydrophobicContact CB-CB 4.27Å; R27-W183 HydrophobicContact CB-CD2 4.28Å; R27-W183 HydrophobicContact CB-CE3 3.66Å; R27-W183 HydrophobicContact CB-CZ3 4.43Å; R27-W183 HydrophobicContact CG-CD2 3.86Å; R27-W183 HydrophobicContact CG-CE3 3.32Å; R27-W183 HydrophobicContact CG-CG 4.44Å; R27-W183 HydrophobicContact CG-CZ3 3.79Å; T34-W183 HydrophobicContact CG2-CD2 4.2Å; T34-W183 HydrophobicContact CG2-CG 4.36Å; T34-W183 HydrophobicContact CG2-CZ2 4.47Å; T34-W183 WeakPolarHBondContact OG1-CH2 3.37Å; T34-W183 WeakPolarHBondContact OG1-CZ2 3.16Å; T37-W183 HydrophobicContact CG2-CB 3.68Å; T37-W183 VanDerWaalsContact CG2-CD1 3.47Å; T37-W183 HydrophobicContact CG2-CG 3.77Å; W183-M204 HydrophobicContact CB-CE 4.22Å; W183-M204 HydrophobicContact CB-SD 4.44Å; W183-M204 PolarHBondContact NE1-O 3.38Å; W183-D205 WeakPolarHBondContact CH2-OXT 3.37Å; W183-D205 WeakPolarHBondContact CZ2-OXT 3.24Å
184G95.4Very high96.4Very high8 Ų842.6 Ų42.68%0.08222%0.217CC..  trans119150.5-172.300000111.1D25 L26 G182 M202D25-G184 CarbonylContact C-O 3.57Å; D25-G184 VanDerWaalsContact CA-O 3.31Å; D25-G184 WeakPolarHBondContact CA-O 3.4Å; L26-G184 PolarHBondContact N-O 2.94Å; G182-G184 PolarHBondContact O-N 2.9Å; G182-G184 VanDerWaalsContact O-O 3.1Å; G184-M202 VanDerWaalsContact CA-CG 3.48Å; G184-M202 VanDerWaalsContact CA-SD 3.56Å; G184-M202 VanDerWaalsContact N-CG 3.26Å; G184-M202 PolarHBondContact N-SD 3.2Å
185A97.7Very high96.4Very high0 Ų044.6 Ų44.60%023%0.229CC..EExtended strand (participates in β ladder)trans-134.1142.3169.400000108.9C24 I171 L175 L200 M202C24-A185 CarbonylContact O-C 3.51Å; C24-A185 VanDerWaalsContact O-CA 3.26Å; C24-A185 WeakPolarHBondContact O-CA 3.32Å; I171-A185 HydrophobicContact CD1-CB 4.23Å; I171-A185 HydrophobicContact CG2-CB 3.99Å; L175-A185 HydrophobicContact CD1-CB 4.15Å; A185-L200 HydrophobicContact CB-CB 4.28Å; A185-L200 HydrophobicContact CB-CD1 4.17Å; A185-L200 PolarHBondContact O-N 3.38Å; A185-M202 HydrophobicContact CB-SD 4.28Å
186R98.3Very high96.4Very high62 Ų6247.4 Ų47.423%0.23425%0.247CC..EExtended strand (participates in β ladder)trans-118.3131.7175.5179170.6-71168.22.7109.6A23 C24 L26 Y188 I197 S198 D199A23-R186 CarbonylContact C-O 3.58Å; A23-R186 WeakPolarHBondContact CA-O 3.38Å; C24-R186 PolarHBondContact N-O 3.2Å; C24-R186 PolarHBondContact O-N 2.67Å; L26-R186 HydrophobicContact CD2-CB 4Å; R186-Y188 HydrophobicContact CB-CE2 4.41Å; R186-Y188 VanDerWaalsContact CD-CZ 3.43Å; R186-Y188 WeakPolarHBondContact CD-OH 3.47Å; R186-Y188 HydrophobicContact CG-CD2 4.2Å; R186-Y188 HydrophobicContact CG-CE2 3.62Å; R186-I197 HydrophobicContact CG-CG2 3.87Å; R186-S198 WeakPolarHBondContact CA-O 3.31Å; R186-D199 WeakPolarHBondContact CB-OD1 3.13Å; R186-D199 WeakPolarHBondContact CG-OD1 3.46Å; R186-D199 IonicContact CZ-OD1 3.45Å; R186-D199 IonicContact CZ-OD2 3.4Å; R186-D199 IonicContact NE-OD1 2.84Å; R186-D199 PolarHBondContact NE-OD1 3.3Å; R186-D199 IonicContact NE-OD2 2.68Å; R186-D199 IonicContact NH2-OD1 3.72Å; R186-D199 PolarHBondContact NH2-OD1 2.99Å; R186-D199 IonicContact NH2-OD2 3.25Å; R186-D199 PolarHBondContact NH2-OD2 3.31Å
187V98.6Very high96.5Very high0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-112.9131.9177.6-176.80000109.2A23 F164 I167 I197 S198 L200A23-V187 HydrophobicContact CB-CB 4.44Å; A23-V187 HydrophobicContact CB-CG2 3.91Å; F164-V187 HydrophobicContact CD2-CB 4.39Å; F164-V187 HydrophobicContact CD2-CG1 3.86Å; F164-V187 HydrophobicContact CE2-CB 4Å; F164-V187 HydrophobicContact CE2-CG1 3.98Å; F164-V187 HydrophobicContact CE2-CG2 4.42Å; I167-V187 HydrophobicContact CG2-CG1 3.66Å; I167-V187 HydrophobicContact CG2-CG2 4.37Å; V187-I197 WeakPolarHBondContact O-CA 3.33Å; V187-S198 PolarHBondContact N-O 2.87Å; V187-S198 PolarHBondContact O-N 3.48Å; V187-L200 HydrophobicContact CG2-CD1 3.67Å; V187-L200 HydrophobicContact CG2-CD2 4.32Å; V187-L200 HydrophobicContact CG2-CG 3.97Å
188Y98.6Very high96.5Very high14 Ų1440.3 Ų40.36%0.05523%0.226CC..EExtended strand (participates in β ladder)trans-110.8109.4170.5-57.9-104000107.5A21 I22 T40 V42 Y50 R186 I197A21-Y188 VanDerWaalsContact CA-O 3.3Å; A21-Y188 WeakPolarHBondContact CA-O 3.23Å; I22-Y188 HydrophobicContact CG2-CD2 4.24Å; I22-Y188 HydrophobicContact CG2-CG 4.32Å; I22-Y188 PolarHBondContact N-O 3.12Å; I22-Y188 PolarHBondContact O-N 3.13Å; T40-Y188 PolarHBondContact OG1-OH 3.48Å; V42-Y188 HydrophobicContact CB-CD2 4.16Å; V42-Y188 HydrophobicContact CB-CE2 3.62Å; V42-Y188 HydrophobicContact CG1-CD2 3.78Å; V42-Y188 HydrophobicContact CG1-CE2 3.64Å; V42-Y188 HydrophobicContact CG1-CG 4.35Å; V42-Y188 HydrophobicContact CG2-CE2 4.26Å; Y50-Y188 HydrophobicContact CD1-CD1 4.11Å; Y50-Y188 HydrophobicContact CD1-CE1 4.39Å; Y50-Y188 AromaticContact CE1-CD1 3.66Å; Y50-Y188 HydrophobicContact CE1-CD1 3.66Å; Y50-Y188 AromaticContact CE1-CE1 3.89Å; Y50-Y188 HydrophobicContact CE1-CE1 3.89Å; Y50-Y188 HydrophobicContact CE1-CG 4.47Å; R186-Y188 HydrophobicContact CB-CE2 4.41Å; R186-Y188 VanDerWaalsContact CD-CZ 3.43Å; R186-Y188 WeakPolarHBondContact CD-OH 3.47Å; R186-Y188 HydrophobicContact CG-CD2 4.2Å; R186-Y188 HydrophobicContact CG-CE2 3.62Å; Y188-I197 HydrophobicContact CD1-CB 4.46Å; Y188-I197 HydrophobicContact CD1-CD1 3.84Å; Y188-I197 HydrophobicContact CD1-CG1 3.67Å; Y188-I197 HydrophobicContact CD1-CG2 4.13Å; Y188-I197 HydrophobicContact CE1-CD1 3.73Å; Y188-I197 HydrophobicContact CE1-CG1 4Å; Y188-I197 HydrophobicContact CE1-CG2 3.96Å
189L98.5Very high96.5Very high11 Ų1143.5 Ų43.56%0.05824%0.243CC..EExtended strand (participates in β ladder)trans-94.7118.7175-178.967.3000108.7A21 L163 F164 E191 V195 T196A21-L189 HydrophobicContact CB-CD1 4.25Å; L163-L189 HydrophobicContact CD2-CD1 4.21Å; F164-L189 HydrophobicContact CB-CD2 4.25Å; L189-E191 HydrophobicContact CG-CG 4.32Å; L189-V195 CarbonylContact O-C 3.56Å; L189-V195 WeakPolarHBondContact O-CA 3.1Å; L189-T196 PolarHBondContact N-O 3.07Å; L189-T196 PolarHBondContact O-N 2.95Å
190L98Very high96.6Very high0 Ų041.3 Ų41.30%022%0.221CC..EExtended strand (participates in β ladder)trans-99.9118-178.9-45.7-178.3000108.2C19 A20 Y50 A110 I112 V195C19-L190 VanDerWaalsContact CA-O 3.22Å; C19-L190 WeakPolarHBondContact CA-O 3.43Å; C19-L190 VanDerWaalsContact CB-O 3.25Å; C19-L190 WeakPolarHBondContact CB-O 3.29Å; A20-L190 HydrophobicContact CB-CB 4.48Å; A20-L190 HydrophobicContact CB-CD1 4.4Å; A20-L190 PolarHBondContact N-O 3.22Å; A20-L190 WeakPolarHBondContact O-CA 3.17Å; A20-L190 VanDerWaalsContact O-CB 3.3Å; A20-L190 WeakPolarHBondContact O-CB 3.24Å; A20-L190 PolarHBondContact O-N 2.91Å; Y50-L190 HydrophobicContact CD2-CD1 4.15Å; Y50-L190 HydrophobicContact CD2-CD2 3.49Å; Y50-L190 VanDerWaalsContact CD2-CD2 3.49Å; Y50-L190 HydrophobicContact CD2-CG 4.48Å; Y50-L190 HydrophobicContact CE2-CD2 3.52Å; A110-L190 HydrophobicContact CB-CD1 4.38Å; I112-L190 HydrophobicContact CD1-CB 4.07Å; I112-L190 WeakPolarHBondContact CD1-O 3.49Å; I112-L190 HydrophobicContact CG1-CB 4.41Å; L190-V195 HydrophobicContact CD2-CB 4.38Å; L190-V195 HydrophobicContact CD2-CG1 3.77Å; L190-V195 HydrophobicContact CD2-CG2 3.77Å
191E96.5Very high96.4Very high58 Ų5850.5 Ų50.527%0.27126%0.26SS..  trans-117.8174.7173.7-64.6176.899.900109.2C19 R48 S160 L189 D193 A194C19-E191 HydrophobicContact CB-CG 4.39Å; R48-E191 WeakPolarHBondContact CD-O 3.48Å; S160-E191 WeakPolarHBondContact CB-OE1 3.45Å; S160-E191 PolarHBondContact OG-OE1 2.98Å; L189-E191 HydrophobicContact CG-CG 4.32Å; E191-D193 VanDerWaalsContact C-N 3.31Å; E191-D193 PolarHBondContact O-N 3.25Å; E191-A194 PolarHBondContact N-O 3.05Å
192K91.7Very high96.3Very high114 Ų11452 Ų5250%0.49627%0.267SS..SBendtrans-60.2-42-178.7-171.8179176-177.50112.4R48R48-K192 WeakPolarHBondContact CD-O 3.38Å; R48-K192 PolarHBondContact NH1-O 3.44Å
193D90.7Very high96.1Very high152 Ų15258.5 Ų58.581%0.81329%0.291SS*.SBendtrans-110.2-12.9-169-56.8-38.8000113.5E191E191-D193 VanDerWaalsContact C-N 3.31Å; E191-D193 PolarHBondContact O-N 3.25Å
194A93.6Very high96Very high50 Ų5062.4 Ų62.441%0.41331%0.312SS..  trans-148.6161.5-174.700000112.3E191E191-A194 PolarHBondContact N-O 3.05Å
195V97.1Very high95.8Very high43 Ų4368.1 Ų68.126%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-122122.6166.6174.90000107.7P47 R48 Y50 L189 L190 I197P47-V195 VanDerWaalsContact O-CG2 3.28Å; P47-V195 WeakPolarHBondContact O-CG2 3.48Å; R48-V195 HydrophobicContact CG-CG2 4.4Å; Y50-V195 HydrophobicContact CE2-CG1 4.13Å; Y50-V195 HydrophobicContact CE2-CG2 4.32Å; L189-V195 CarbonylContact O-C 3.56Å; L189-V195 WeakPolarHBondContact O-CA 3.1Å; L190-V195 HydrophobicContact CD2-CB 4.38Å; L190-V195 HydrophobicContact CD2-CG1 3.77Å; L190-V195 HydrophobicContact CD2-CG2 3.77Å; V195-I197 HydrophobicContact CG1-CG1 4.26Å
196T97.7Very high95.7Very high62 Ų6271.5 Ų71.538%0.3836%0.357SS..EExtended strand (participates in β ladder)trans-102.5126.8177.4-59.30000109.1L189L189-T196 PolarHBondContact N-O 3.07Å; L189-T196 PolarHBondContact O-N 2.95Å
197I98Very high95.5Very high91 Ų9172 Ų7247%0.46736%0.364SS..EExtended strand (participates in β ladder)trans-113.3123.6179.3-52176.9000108.3R186 V187 Y188 V195R186-I197 HydrophobicContact CG-CG2 3.87Å; V187-I197 WeakPolarHBondContact O-CA 3.33Å; Y188-I197 HydrophobicContact CD1-CB 4.46Å; Y188-I197 HydrophobicContact CD1-CD1 3.84Å; Y188-I197 HydrophobicContact CD1-CG1 3.67Å; Y188-I197 HydrophobicContact CD1-CG2 4.13Å; Y188-I197 HydrophobicContact CE1-CD1 3.73Å; Y188-I197 HydrophobicContact CE1-CG1 4Å; Y188-I197 HydrophobicContact CE1-CG2 3.96Å; V195-I197 HydrophobicContact CG1-CG1 4.26Å
198S98.1Very high95.4Very high33 Ų3376 Ų7623%0.23138%0.384CS..EExtended strand (participates in β ladder)trans-130.5129.5-177.1-57.80000110.9R186 V187R186-S198 WeakPolarHBondContact CA-O 3.31Å; V187-S198 PolarHBondContact N-O 2.87Å; V187-S198 PolarHBondContact O-N 3.48Å
199D97.7Very high95.2Very high97 Ų9779.6 Ų79.652%0.51940%0.403SS..EExtended strand (participates in β ladder)trans-90.8126.2168.5-73.6-21.2000109.6R186R186-D199 WeakPolarHBondContact CB-OD1 3.13Å; R186-D199 WeakPolarHBondContact CG-OD1 3.46Å; R186-D199 IonicContact CZ-OD1 3.45Å; R186-D199 IonicContact CZ-OD2 3.4Å; R186-D199 IonicContact NE-OD1 2.84Å; R186-D199 PolarHBondContact NE-OD1 3.3Å; R186-D199 IonicContact NE-OD2 2.68Å; R186-D199 IonicContact NH2-OD1 3.72Å; R186-D199 PolarHBondContact NH2-OD1 2.99Å; R186-D199 IonicContact NH2-OD2 3.25Å; R186-D199 PolarHBondContact NH2-OD2 3.31Å
200L96.7Very high95Very high27 Ų2783.9 Ų83.914%0.14143%0.425CS..EExtended strand (participates in β ladder)trans-90.7135.5-179-55.4-178.9000110.4F164 I171 L172 A185 V187 M202F164-L200 HydrophobicContact CZ-CD2 3.99Å; I171-L200 HydrophobicContact CG2-CD1 3.98Å; L172-L200 HydrophobicContact CD1-CD1 4.19Å; L172-L200 HydrophobicContact CD2-CB 4.13Å; L172-L200 HydrophobicContact CD2-CD1 4.28Å; L172-L200 HydrophobicContact CG-CD1 4.03Å; A185-L200 HydrophobicContact CB-CB 4.28Å; A185-L200 HydrophobicContact CB-CD1 4.17Å; A185-L200 PolarHBondContact O-N 3.38Å; V187-L200 HydrophobicContact CG2-CD1 3.67Å; V187-L200 HydrophobicContact CG2-CD2 4.32Å; V187-L200 HydrophobicContact CG2-CG 3.97Å; L200-M202 PolarHBondContact O-N 2.79Å
201K93.1Very high94.8Very high206 Ų20689.5 Ų89.590%0.89645%0.453SS*.PPolyproline II helixtrans-73.3122.2169.7-173.6-179.7-179.2-178.70109.3
202M93.5Very high94.7Very high32 Ų3291.8 Ų91.816%0.15847%0.466CS..  trans-140.8-172.3177.472.1167.3-72.900111.9L172 L175 G184 A185 L200L172-M202 HydrophobicContact CD2-CB 3.34Å; L172-M202 HydrophobicContact CD2-CG 4.34Å; L172-M202 HydrophobicContact CD2-SD 4.43Å; L175-M202 HydrophobicContact CB-CE 3.78Å; L175-M202 HydrophobicContact CD1-CE 4.05Å; L175-M202 HydrophobicContact CD1-SD 3.78Å; G184-M202 VanDerWaalsContact CA-CG 3.48Å; G184-M202 VanDerWaalsContact CA-SD 3.56Å; G184-M202 VanDerWaalsContact N-CG 3.26Å; G184-M202 PolarHBondContact N-SD 3.2Å; A185-M202 HydrophobicContact CB-SD 4.28Å; L200-M202 PolarHBondContact O-N 2.79Å
203R93Very high94.9Very high138 Ų13890.1 Ų90.152%0.52146%0.464SS..  trans-70.3151175.2-48.5176.360.997.6-4.1111.3N176 D205N176-R203 WeakPolarHBondContact OD1-CD 3.23Å; N176-R203 WeakPolarHBondContact OD1-CG 3.41Å; R203-D205 WeakPolarHBondContact CB-OD1 3.34Å; R203-D205 IonicContact CZ-OD1 3.59Å; R203-D205 IonicContact CZ-OD2 3.37Å; R203-D205 IonicContact NE-OD1 2.78Å; R203-D205 PolarHBondContact NE-OD1 2.66Å; R203-D205 IonicContact NE-OD2 3.26Å; R203-D205 PolarHBondContact NE-OD2 3.26Å; R203-D205 IonicContact NH2-OD1 3.61Å; R203-D205 IonicContact NH2-OD2 2.66Å; R203-D205 PolarHBondContact NH2-OD2 3.43Å
204M94.4Very high95.2Very high113 Ų11384.9 Ų84.956%0.55744%0.435SS*.  trans-118.128.3-177.7-61.3-61.4-69.500111.6T37 W183T37-M204 HydrophobicContact CG2-CE 4.11Å; W183-M204 HydrophobicContact CB-CE 4.22Å; W183-M204 HydrophobicContact CB-SD 4.44Å; W183-M204 PolarHBondContact NE1-O 3.38Å
205D90Very high95.4Very high127 Ų12788.1 Ų88.168%0.67944%0.437SS*.  trans-112.6017964.4-38.9000112.6W183 R203W183-D205 WeakPolarHBondContact CH2-OXT 3.37Å; W183-D205 WeakPolarHBondContact CZ2-OXT 3.24Å; R203-D205 WeakPolarHBondContact CB-OD1 3.34Å; R203-D205 IonicContact CZ-OD1 3.59Å; R203-D205 IonicContact CZ-OD2 3.37Å; R203-D205 IonicContact NE-OD1 2.78Å; R203-D205 PolarHBondContact NE-OD1 2.66Å; R203-D205 IonicContact NE-OD2 3.26Å; R203-D205 PolarHBondContact NE-OD2 3.26Å; R203-D205 IonicContact NH2-OD1 3.61Å; R203-D205 IonicContact NH2-OD2 2.66Å; R203-D205 PolarHBondContact NH2-OD2 3.43Å

Retrieved 205 of 205 residues in 67.8 ms (Link to these results)

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