A0A3Q0KS45_SCHMA Loading...

Putative ubiquitin-protein ligase BRE1

AlphaFold DB , UniProt , Accession A0A3Q0KS45, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,060 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
1M61.6Low85.7Confident137 Ų13763.5 Ų63.568%0.67535%0.347SS*.  0114.80162173.2156.500105.6V3 D140 G141M1-V3 HydrophobicContact CE-CG2 3.96Å; M1-V3 HydrophobicContact CG-CG2 4.31Å; M1-V3 PolarHBondContact O-N 2.83Å; M1-D140 WeakPolarHBondContact CA-OD1 3.03Å; M1-D140 PolarHBondContact N-OD1 2.8Å; M1-G141 PolarHBondContact N-O 3.09Å
2K85.8Confident86.2Confident114 Ų11467.8 Ų67.850%0.49636%0.362SS..  trans-72.2118.3-178.4-170151.9170.9157.90109.9D31 A138 I139 D140K2-D31 IonicContact NZ-OD2 3.96Å; K2-D31 PolarHBondContact NZ-OD2 3.14Å; K2-A138 HydrophobicContact CD-CB 4.32Å; K2-A138 HydrophobicContact CG-CB 4.1Å; K2-I139 CarbonylContact C-O 3.54Å; K2-I139 VanDerWaalsContact CA-O 3.28Å; K2-I139 WeakPolarHBondContact CA-O 3.25Å; K2-D140 HydrophobicContact CB-CB 4.1Å; K2-D140 HydrophobicContact CG-CB 4.42Å; K2-D140 PolarHBondContact N-OD1 2.85Å
3V85.3Confident86.7Confident46 Ų4673.4 Ų73.428%0.27938%0.377SS..EExtended strand (participates in β ladder)trans-113.4127.8173.9175.10000106.5M1 A138 I139 L428M1-V3 HydrophobicContact CE-CG2 3.96Å; M1-V3 HydrophobicContact CG-CG2 4.31Å; M1-V3 PolarHBondContact O-N 2.83Å; V3-A138 CarbonylContact O-C 3.54Å; V3-A138 WeakPolarHBondContact O-CA 3.44Å; V3-A138 WeakPolarHBondContact O-CB 3.45Å; V3-I139 PolarHBondContact N-O 3.49Å; V3-I139 PolarHBondContact O-N 2.89Å; V3-L428 HydrophobicContact CG1-CD1 3.82Å
4E91.3Very high87Confident126 Ų12669.6 Ų69.659%0.58937%0.365SS*.EExtended strand (participates in β ladder)trans-116.6136-174.6-173.6170.1151.300109.7I33 A138E4-I33 HydrophobicContact CG-CD1 3.74Å; E4-A138 HydrophobicContact CB-CB 4.06Å; E4-A138 HydrophobicContact CG-CB 4.16Å
5F90.7Very high87.6Confident30 Ų3065.2 Ų65.213%0.13234%0.342CS..EExtended strand (participates in β ladder)trans-133126.7-178.3-178.5-104.2000110.3L7 G136 F137 F150 I175 L430F5-L7 HydrophobicContact CD1-CD2 4.41Å; F5-L7 HydrophobicContact CE1-CD2 4.15Å; F5-G136 CarbonylContact O-C 3.55Å; F5-G136 WeakPolarHBondContact O-CA 3.47Å; F5-F137 HydrophobicContact CB-CD2 4.33Å; F5-F137 HydrophobicContact CB-CE2 3.83Å; F5-F137 HydrophobicContact CB-CZ 3.96Å; F5-F137 HydrophobicContact CD1-CD1 4.44Å; F5-F137 AromaticContact CD1-CE1 3.64Å; F5-F137 HydrophobicContact CD1-CE1 3.64Å; F5-F137 HydrophobicContact CD1-CE2 4.28Å; F5-F137 AromaticContact CD1-CZ 3.53Å; F5-F137 HydrophobicContact CD1-CZ 3.53Å; F5-F137 HydrophobicContact CE1-CE1 4.37Å; F5-F137 HydrophobicContact CE1-CZ 4.4Å; F5-F137 HydrophobicContact CG-CE2 4.41Å; F5-F137 HydrophobicContact CG-CZ 4.04Å; F5-F137 PolarHBondContact N-O 3.14Å; F5-F137 PolarHBondContact O-N 2.96Å; F5-F150 HydrophobicContact CE1-CE1 4.23Å; F5-F150 HydrophobicContact CE1-CZ 4.5Å; F5-I175 HydrophobicContact CB-CD1 4.17Å; F5-I175 HydrophobicContact CD1-CD1 4.11Å; F5-I175 HydrophobicContact CD1-CG2 4.37Å; F5-I175 HydrophobicContact CD2-CD1 3.37Å; F5-I175 HydrophobicContact CE1-CD1 4.37Å; F5-I175 HydrophobicContact CE1-CG2 3.85Å; F5-I175 HydrophobicContact CE2-CD1 3.69Å; F5-I175 HydrophobicContact CE2-CG2 4.36Å; F5-I175 HydrophobicContact CG-CD1 3.6Å; F5-I175 HydrophobicContact CZ-CD1 4.19Å; F5-I175 HydrophobicContact CZ-CG2 3.85Å; F5-L430 HydrophobicContact CZ-CD1 4.02Å; F5-L430 HydrophobicContact CZ-CD2 4.27Å
6V91.6Very high88.1Confident87 Ų8761.1 Ų61.153%0.52732%0.321SS..EExtended strand (participates in β ladder)trans-91.3126.7172.9-179.40000107.9N135V6-N135 CarbonylContact C-O 3.55Å; V6-N135 WeakPolarHBondContact CA-O 3.29Å; V6-N135 WeakPolarHBondContact CG1-O 3.31Å
7L90.8Very high88.6Confident9 Ų957.6 Ų57.65%0.04730%0.302CS..  trans-71140.3178.8-66.2159.7000110.1F5 S9 L11 N135 F137 F150F5-L7 HydrophobicContact CD1-CD2 4.41Å; F5-L7 HydrophobicContact CE1-CD2 4.15Å; L7-S9 VanDerWaalsContact C-N 3.26Å; L7-S9 VanDerWaalsContact CB-O 3.27Å; L7-S9 WeakPolarHBondContact CB-O 3.27Å; L7-S9 PolarHBondContact O-N 2.69Å; L7-L11 HydrophobicContact CD1-CD1 3.99Å; L7-L11 HydrophobicContact CD1-CD2 3.73Å; L7-L11 HydrophobicContact CD1-CG 3.67Å; L7-L11 HydrophobicContact CD2-CD2 4.42Å; L7-N135 PolarHBondContact N-O 3.18Å; L7-F137 HydrophobicContact CD2-CD1 4.24Å; L7-F137 HydrophobicContact CD2-CE1 3.97Å; L7-F150 HydrophobicContact CD2-CD1 4.39Å; L7-F150 HydrophobicContact CD2-CD2 3.47Å; L7-F150 VanDerWaalsContact CD2-CD2 3.47Å; L7-F150 HydrophobicContact CD2-CE2 3.62Å; L7-F150 HydrophobicContact CD2-CG 3.88Å; L7-F150 HydrophobicContact CD2-CZ 4.16Å
8P85.7Confident89.1Confident64 Ų6454.4 Ų54.442%0.41629%0.286SS..SBendtrans-72.8-21.7175.631.7-36000112.6F150 L430P8-F150 VanDerWaalsContact CD-CZ 3.46Å; P8-F150 HydrophobicContact CG-CE2 4.12Å; P8-F150 HydrophobicContact CG-CZ 3.68Å; P8-L430 HydrophobicContact CG-CD2 4.4Å
9S82.1Confident89.4Confident33 Ų3351.7 Ų51.723%0.23127%0.271CS..SBendtrans-132.4143.7-178.851.60000108.9L7 E177 R179L7-S9 VanDerWaalsContact C-N 3.26Å; L7-S9 VanDerWaalsContact CB-O 3.27Å; L7-S9 WeakPolarHBondContact CB-O 3.27Å; L7-S9 PolarHBondContact O-N 2.69Å; S9-E177 PolarHBondContact OG-OE1 2.86Å; S9-R179 PolarHBondContact OG-NH2 3.5Å; S9-R179 VanDerWaalsContact OG-NH2 3.07Å
10A86Confident89.7Confident49 Ų4950.3 Ų50.341%0.40526%0.264SS..  trans-68.1145.7172.500000109.9
11L91.7Very high89.9Confident4 Ų448.1 Ų48.12%0.02125%0.254CS..  trans-66.7147.8178.2-60.1173.2000110.9L7 I17 I108 V131 I134L7-L11 HydrophobicContact CD1-CD1 3.99Å; L7-L11 HydrophobicContact CD1-CD2 3.73Å; L7-L11 HydrophobicContact CD1-CG 3.67Å; L7-L11 HydrophobicContact CD2-CD2 4.42Å; L11-I17 HydrophobicContact CD1-CD1 3.93Å; L11-I17 HydrophobicContact CD2-CD1 4.32Å; L11-I17 HydrophobicContact CD2-CG1 4.44Å; L11-I108 HydrophobicContact CB-CD1 3.8Å; L11-I108 HydrophobicContact CD1-CD1 3.74Å; L11-I108 HydrophobicContact CD2-CD1 4.32Å; L11-I108 HydrophobicContact CG-CD1 4.15Å; L11-V131 HydrophobicContact CB-CG1 3.92Å; L11-I134 HydrophobicContact CD1-CB 3.97Å; L11-I134 HydrophobicContact CD1-CD1 4.23Å; L11-I134 HydrophobicContact CD1-CG2 3.58Å; L11-I134 HydrophobicContact CG-CG2 4.46Å
12Q91.4Very high91.5Very high114 Ų11445 Ų4553%0.53324%0.237SC..  trans-120.7165.9178.8-57.6-171.54.700111.6D15Q12-D15 PolarHBondContact N-OD2 3.33Å; Q12-D15 VanDerWaalsContact O-CB 3.31Å; Q12-D15 WeakPolarHBondContact O-CB 3.43Å; Q12-D15 PolarHBondContact O-N 3.12Å; Q12-D15 VanDerWaalsContact O-N 3.12Å
13Y92.8Very high91.9Very high141 Ų14139.7 Ų39.755%0.55321%0.214SC*.THydrogen-bonded Turntrans-67.9132.9168.6-56.3-58000109.2D15 I108 K109 T110 H127 V131Y13-D15 VanDerWaalsContact C-N 3.33Å; Y13-I108 HydrophobicContact CD1-CG2 4.33Å; Y13-K109 VanDerWaalsContact CD1-O 3.29Å; Y13-K109 WeakPolarHBondContact CD1-O 3.07Å; Y13-T110 WeakPolarHBondContact CE1-O 3.44Å; Y13-H127 AromaticContact CD1-NE2 3.85Å; Y13-H127 AromaticContact CE1-NE2 3.81Å; Y13-V131 HydrophobicContact CD1-CG2 4.18Å; Y13-V131 HydrophobicContact CE1-CB 4.03Å; Y13-V131 HydrophobicContact CE1-CG2 3.6Å
14G91.8Very high92.3Very high20 Ų2037.8 Ų37.821%0.20620%0.204CC..THydrogen-bonded Turntrans90.3-13.1-168.800000114.3I108 L153G14-I108 PolarHBondContact N-O 2.71Å; G14-L153 PolarHBondContact O-N 2.68Å
15D95.2Very high92.5Very high4 Ų436.4 Ų36.42%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-68.6156.3168.7-80.4-14.2000111Q12 Y13 I108 G151 D152 R179Q12-D15 PolarHBondContact N-OD2 3.33Å; Q12-D15 VanDerWaalsContact O-CB 3.31Å; Q12-D15 WeakPolarHBondContact O-CB 3.43Å; Q12-D15 PolarHBondContact O-N 3.12Å; Q12-D15 VanDerWaalsContact O-N 3.12Å; Y13-D15 VanDerWaalsContact C-N 3.33Å; D15-I108 HydrophobicContact CB-CD1 4.14Å; D15-I108 VanDerWaalsContact O-CB 3.3Å; D15-I108 WeakPolarHBondContact O-CB 3.32Å; D15-I108 WeakPolarHBondContact O-CG1 3.48Å; D15-I108 PolarHBondContact O-N 3.18Å; D15-G151 CarbonylContact C-O 3.51Å; D15-G151 VanDerWaalsContact CA-O 3.29Å; D15-G151 WeakPolarHBondContact CA-O 3.27Å; D15-G151 WeakPolarHBondContact OD1-CA 3.38Å; D15-D152 PolarHBondContact OD1-N 2.87Å; D15-R179 VanDerWaalsContact CG-NH1 3.29Å; D15-R179 IonicContact OD1-CZ 2.67Å; D15-R179 IonicContact OD1-NH1 3.65Å; D15-R179 PolarHBondContact OD1-NH1 3.45Å; D15-R179 IonicContact OD2-CZ 3.3Å; D15-R179 IonicContact OD2-NH1 2.71Å; D15-R179 PolarHBondContact OD2-NH1 2.82Å; D15-R179 VanDerWaalsContact OD2-NH1 3.13Å; D15-R179 IonicContact OD2-NH2 3.47Å; D15-R179 PolarHBondContact OD2-NH2 2.83Å
16C96Very high92.7Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-137.2147.2179.8163.30000109.1R105 V106 V107 F150 G151 L153 I156C16-R105 VanDerWaalsContact SG-CD 3.59Å; C16-R105 WeakPolarHBondContact SG-CG 3.19Å; C16-V106 CarbonylContact C-O 3.57Å; C16-V106 VanDerWaalsContact CA-O 3.31Å; C16-V106 WeakPolarHBondContact CA-O 3.13Å; C16-V107 HydrophobicContact CB-CG2 4.49Å; C16-F150 CarbonylContact O-C 3.6Å; C16-F150 VanDerWaalsContact O-CA 3.25Å; C16-F150 WeakPolarHBondContact O-CA 3.23Å; C16-G151 PolarHBondContact N-O 3.04Å; C16-G151 PolarHBondContact O-N 3.29Å; C16-L153 HydrophobicContact CB-CB 4.09Å; C16-L153 HydrophobicContact CB-CD1 3.86Å; C16-I156 HydrophobicContact CB-CD1 3.92Å; C16-I156 WeakPolarHBondContact O-CD1 3.43Å
17I96.8Very high92.9Very high1 Ų139.2 Ų39.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-118.2119.4167.3-60.2171.1000107.6L11 V19 L32 R105 V106 F137 I148 L149 F150L11-I17 HydrophobicContact CD1-CD1 3.93Å; L11-I17 HydrophobicContact CD2-CD1 4.32Å; L11-I17 HydrophobicContact CD2-CG1 4.44Å; I17-V19 HydrophobicContact CG2-CG2 4.41Å; I17-L32 HydrophobicContact CD1-CD2 3.86Å; I17-R105 CarbonylContact O-C 3.53Å; I17-R105 WeakPolarHBondContact O-CA 3.31Å; I17-V106 PolarHBondContact N-O 2.68Å; I17-V106 PolarHBondContact O-N 3.23Å; I17-F137 HydrophobicContact CD1-CD1 4.28Å; I17-I148 HydrophobicContact CG2-CG2 4.34Å; I17-L149 CarbonylContact C-O 3.54Å; I17-L149 WeakPolarHBondContact CA-O 3.46Å; I17-F150 HydrophobicContact CG1-CB 4.18Å
18E96.8Very high93.1Very high1 Ų138.8 Ų38.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-115.4115.3176.1-166.8-178.285.900111.1N20 V103 C104 R105 I148 L149 I156 N160E18-N20 PolarHBondContact OE1-ND2 2.89Å; E18-V103 VanDerWaalsContact CD-CG1 3.45Å; E18-V103 HydrophobicContact CG-CG1 3.47Å; E18-V103 VanDerWaalsContact CG-CG1 3.47Å; E18-C104 WeakPolarHBondContact CA-O 3.42Å; E18-R105 HydrophobicContact CB-CG 4.25Å; E18-R105 HydrophobicContact CG-CB 4.31Å; E18-R105 HydrophobicContact CG-CG 4.32Å; E18-R105 IonicContact OE2-CZ 2.95Å; E18-R105 IonicContact OE2-NE 3.13Å; E18-R105 PolarHBondContact OE2-NE 2.94Å; E18-R105 IonicContact OE2-NH2 3.53Å; E18-R105 PolarHBondContact OE2-NH2 3.25Å; E18-I148 CarbonylContact O-C 3.51Å; E18-I148 WeakPolarHBondContact O-CA 3.44Å; E18-L149 HydrophobicContact CB-CB 4.3Å; E18-L149 PolarHBondContact N-O 2.89Å; E18-L149 PolarHBondContact O-N 3Å; E18-I156 HydrophobicContact CB-CG2 4.41Å; E18-N160 PolarHBondContact OE1-ND2 3.42Å
19V95.9Very high93.7Very high2 Ų236.1 Ų36.11%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-100114.6174.3-1780000109.1I17 F28 I30 C104 I139 I145 I148I17-V19 HydrophobicContact CG2-CG2 4.41Å; V19-F28 HydrophobicContact CB-CZ 4.14Å; V19-F28 HydrophobicContact CG1-CE2 3.89Å; V19-F28 HydrophobicContact CG1-CZ 3.85Å; V19-F28 HydrophobicContact CG2-CZ 4.37Å; V19-I30 HydrophobicContact CG2-CD1 4.06Å; V19-C104 PolarHBondContact N-O 3.07Å; V19-C104 PolarHBondContact O-N 3.32Å; V19-I139 HydrophobicContact CG1-CD1 4Å; V19-I139 HydrophobicContact CG2-CD1 3.98Å; V19-I145 HydrophobicContact CG1-CD1 3.89Å; V19-I145 HydrophobicContact CG1-CG2 4Å; V19-I148 HydrophobicContact CG2-CG1 4.49Å; V19-I148 HydrophobicContact CG2-CG2 4.19Å
20N94.6Very high94.4Very high23 Ų2334.8 Ų34.812%0.12318%0.182CC..EExtended strand (participates in β ladder)trans-101.3136.2173.8-74.8-87.4000109.8E18 V103 I145 S146 T147E18-N20 PolarHBondContact OE1-ND2 2.89Å; N20-V103 WeakPolarHBondContact OD1-CG2 3.39Å; N20-I145 WeakPolarHBondContact O-CG2 3.12Å; N20-S146 PolarHBondContact O-N 3.19Å; N20-S146 PolarHBondContact O-OG 3.21Å; N20-S146 VanDerWaalsContact O-OG 3.1Å; N20-T147 WeakPolarHBondContact CB-OG1 3.42Å; N20-T147 PolarHBondContact N-O 3.36Å; N20-T147 PolarHBondContact O-N 2.95Å
21G93.7Very high94.9Very high6 Ų633.3 Ų33.36%0.06217%0.167CC..EExtended strand (participates in β ladder)trans-174.9-166.1177.700000114.5N101 F102 D144G21-N101 CarbonylContact O-C 3.45Å; G21-N101 WeakPolarHBondContact O-CA 3.23Å; G21-F102 PolarHBondContact N-O 3.18Å; G21-F102 PolarHBondContact O-N 3.06Å; G21-D144 CarbonylContact C-O 3.01Å; G21-D144 VanDerWaalsContact CA-O 3.26Å; G21-D144 WeakPolarHBondContact CA-O 3.48Å
22K94.9Very high95.1Very high71 Ų7133.6 Ų33.631%0.30917%0.169SC..EExtended strand (participates in β ladder)trans-121.8125177.9-173.5-171.9176.7-150.20109.6N99 S143 D144K22-N99 WeakPolarHBondContact CE-O 3.38Å; K22-S143 CarbonylContact O-C 3.51Å; K22-S143 WeakPolarHBondContact O-CA 3.36Å; K22-S143 WeakPolarHBondContact O-CB 3.28Å; K22-D144 HydrophobicContact CB-CB 4.39Å; K22-D144 PolarHBondContact N-O 3.36Å; K22-D144 PolarHBondContact O-N 3.04Å
23A95.6Very high95.2Very high3 Ų330.3 Ų30.33%0.02515%0.154CC..  trans-68.3136-171.700000111.2F96 R97 N99 E100 F102A23-F96 HydrophobicContact CB-CD2 3.96Å; A23-F96 HydrophobicContact CB-CE1 4.16Å; A23-F96 HydrophobicContact CB-CE2 3.57Å; A23-F96 HydrophobicContact CB-CG 4.41Å; A23-F96 HydrophobicContact CB-CZ 3.67Å; A23-R97 WeakPolarHBondContact CB-O 3.24Å; A23-N99 WeakPolarHBondContact O-CA 3.45Å; A23-N99 PolarHBondContact O-N 3.46Å; A23-E100 PolarHBondContact N-O 3.1Å; A23-F102 HydrophobicContact CB-CD1 3.9Å; A23-F102 HydrophobicContact CB-CE1 4.29Å
24G94Very high95.2Very high6 Ų624.6 Ų24.66%0.06214%0.135CC..  trans-66-166.8177.200000113.4T69 A98 D142 S143G24-T69 VanDerWaalsContact O-CG2 3.29Å; G24-T69 WeakPolarHBondContact O-CG2 3.48Å; G24-A98 WeakPolarHBondContact O-CA 3.3Å; G24-A98 VanDerWaalsContact O-CB 3.28Å; G24-A98 WeakPolarHBondContact O-CB 3.31Å; G24-D142 WeakPolarHBondContact CA-O 3.4Å; G24-S143 PolarHBondContact N-OG 3.29Å
25N94.9Very high94.9Very high97 Ų9727.7 Ų27.752%0.51915%0.147SC..SBendtrans-86-24.1172.5-60.4-76.4000112.1T69 N99 D142N25-T69 WeakPolarHBondContact O-CB 3.45Å; N25-T69 WeakPolarHBondContact O-CG2 3.23Å; N25-T69 PolarHBondContact O-OG1 3.37Å; N25-N99 PolarHBondContact OD1-ND2 2.75Å; N25-D142 WeakPolarHBondContact CA-OD2 3.3Å; N25-D142 PolarHBondContact N-OD2 2.87Å
26N94.4Very high94.5Very high110 Ų11031.8 Ų31.859%0.58816%0.162SC*.SBendtrans-112.9-67.1-174.1-56.1-34.1000113.1E68 T69 D142N26-E68 WeakPolarHBondContact O-CA 3.47Å; N26-T69 PolarHBondContact O-N 3.48Å; N26-T69 PolarHBondContact O-OG1 3.5Å; N26-D142 WeakPolarHBondContact CA-OD1 3.49Å; N26-D142 WeakPolarHBondContact CB-OD1 3.31Å; N26-D142 PolarHBondContact N-OD1 2.93Å; N26-D142 PolarHBondContact N-OD2 3.29Å
27K94.8Very high93.9Very high65 Ų6536.8 Ų36.828%0.28319%0.189SC..EExtended strand (participates in β ladder)trans-154.4160.4-169.565.6157.1-172.71570115.4L66 I67 D140 G141 D142 S143K27-L66 HydrophobicContact CB-CD1 4.19Å; K27-L66 HydrophobicContact CD-CD1 3.54Å; K27-L66 HydrophobicContact CG-CD1 4.48Å; K27-I67 CarbonylContact C-O 3.55Å; K27-I67 VanDerWaalsContact CA-O 3.23Å; K27-I67 WeakPolarHBondContact CA-O 3.45Å; K27-I67 WeakPolarHBondContact CB-O 3.44Å; K27-D140 IonicContact NZ-OD2 3.86Å; K27-D140 PolarHBondContact NZ-OD2 2.79Å; K27-G141 WeakPolarHBondContact O-CA 3.4Å; K27-D142 PolarHBondContact N-OD1 2.82Å; K27-D142 PolarHBondContact O-N 3.08Å; K27-S143 PolarHBondContact O-OG 3.38Å
28F96.8Very high93.2Very high0 Ų037.2 Ų37.20%019%0.192CC..EExtended strand (participates in β ladder)trans-119.9145.2161.8169.1-106000108.6V19 I30 I67 F96 F102 C104 I139 I145V19-F28 HydrophobicContact CB-CZ 4.14Å; V19-F28 HydrophobicContact CG1-CE2 3.89Å; V19-F28 HydrophobicContact CG1-CZ 3.85Å; V19-F28 HydrophobicContact CG2-CZ 4.37Å; F28-I30 HydrophobicContact CE1-CB 4.47Å; F28-I30 HydrophobicContact CE1-CG2 4.01Å; F28-I30 HydrophobicContact CZ-CB 4.14Å; F28-I30 HydrophobicContact CZ-CG2 4.1Å; F28-I67 HydrophobicContact CD1-CD1 4.13Å; F28-I67 HydrophobicContact CD1-CG1 4.34Å; F28-I67 PolarHBondContact N-O 3.02Å; F28-I67 PolarHBondContact O-N 3.45Å; F28-F96 HydrophobicContact CB-CE2 3.73Å; F28-F96 HydrophobicContact CB-CZ 3.55Å; F28-F102 HydrophobicContact CB-CZ 4.29Å; F28-F102 AromaticContact CD1-CE2 3.94Å; F28-F102 HydrophobicContact CD1-CE2 3.94Å; F28-F102 HydrophobicContact CD1-CZ 4.32Å; F28-F102 HydrophobicContact CD2-CE2 4.06Å; F28-F102 AromaticContact CD2-CZ 3.68Å; F28-F102 HydrophobicContact CD2-CZ 3.68Å; F28-F102 HydrophobicContact CE1-CE2 4.06Å; F28-F102 HydrophobicContact CE2-CE2 4.17Å; F28-F102 HydrophobicContact CE2-CZ 4.04Å; F28-F102 AromaticContact CG-CE2 3.94Å; F28-F102 HydrophobicContact CG-CE2 3.94Å; F28-F102 AromaticContact CG-CZ 3.84Å; F28-F102 HydrophobicContact CG-CZ 3.84Å; F28-F102 HydrophobicContact CZ-CE2 4.17Å; F28-F102 HydrophobicContact CZ-CZ 4.5Å; F28-C104 HydrophobicContact CE1-CB 3.98Å; F28-C104 HydrophobicContact CZ-CB 4.47Å; F28-I139 HydrophobicContact CD2-CG2 4.2Å; F28-I139 HydrophobicContact CE2-CG1 4.49Å; F28-I139 HydrophobicContact CE2-CG2 3.72Å; F28-I145 HydrophobicContact CD2-CD1 4.13Å; F28-I145 HydrophobicContact CE2-CD1 3.88Å
29S97.1Very high92.3Very high8 Ų841.9 Ų41.96%0.05621%0.213CC..EExtended strand (participates in β ladder)trans-145136.3179.2-148.10000109I65 I139 D140S29-I65 CarbonylContact C-O 3.51Å; S29-I65 VanDerWaalsContact CA-O 3.25Å; S29-I65 WeakPolarHBondContact CA-O 3.18Å; S29-I139 CarbonylContact O-C 3.58Å; S29-I139 VanDerWaalsContact O-CA 3.27Å; S29-I139 WeakPolarHBondContact O-CA 3.45Å; S29-D140 WeakPolarHBondContact CB-O 3.14Å; S29-D140 PolarHBondContact N-O 3.35Å; S29-D140 PolarHBondContact O-N 3.12Å
30I97.1Very high91.3Very high5 Ų542.7 Ų42.73%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-131.5127.5167.6179.8169.8000109.7V19 F28 Q64 I65 F137 A138 I139V19-I30 HydrophobicContact CG2-CD1 4.06Å; F28-I30 HydrophobicContact CE1-CB 4.47Å; F28-I30 HydrophobicContact CE1-CG2 4.01Å; F28-I30 HydrophobicContact CZ-CB 4.14Å; F28-I30 HydrophobicContact CZ-CG2 4.1Å; I30-Q64 WeakPolarHBondContact O-CA 3.17Å; I30-I65 HydrophobicContact CG2-CB 3.82Å; I30-I65 HydrophobicContact CG2-CD1 3.93Å; I30-I65 HydrophobicContact CG2-CG1 4.37Å; I30-I65 PolarHBondContact N-O 3.4Å; I30-I65 PolarHBondContact O-N 2.95Å; I30-F137 HydrophobicContact CD1-CB 4.28Å; I30-F137 HydrophobicContact CD1-CD2 4.35Å; I30-F137 HydrophobicContact CD1-CG 4.36Å; I30-F137 HydrophobicContact CG1-CB 4.35Å; I30-A138 WeakPolarHBondContact CA-O 3.3Å; I30-I139 HydrophobicContact CB-CG1 4.26Å; I30-I139 HydrophobicContact CD1-CG1 4.28Å; I30-I139 HydrophobicContact CG1-CG1 4.18Å
31D96.4Very high90.1Very high19 Ų1945.2 Ų45.210%0.10224%0.235CC..EExtended strand (participates in β ladder)trans-108.5127.9173.9-50.2-40.1000108.1K2 Q64 F137 A138K2-D31 IonicContact NZ-OD2 3.96Å; K2-D31 PolarHBondContact NZ-OD2 3.14Å; D31-Q64 WeakPolarHBondContact OD1-CG 3.4Å; D31-Q64 PolarHBondContact OD1-NE2 3.18Å; D31-F137 CarbonylContact O-C 3.56Å; D31-F137 WeakPolarHBondContact O-CA 3.48Å; D31-F137 WeakPolarHBondContact O-CB 3.23Å; D31-A138 PolarHBondContact N-O 3.08Å; D31-A138 PolarHBondContact O-N 3.13Å
32L96.5Very high89Confident10 Ų1050.5 Ų50.55%0.05227%0.266CS..EExtended strand (participates in β ladder)trans-81.7142.2165.6-61.2-171.5000109.5I17 P62 L63 Y113 I134 F137I17-L32 HydrophobicContact CD1-CD2 3.86Å; L32-P62 HydrophobicContact CB-CB 4.18Å; L32-L63 HydrophobicContact CB-CB 4.33Å; L32-L63 HydrophobicContact CD1-CB 3.78Å; L32-L63 HydrophobicContact CD1-CD2 4.25Å; L32-L63 HydrophobicContact CG-CB 3.98Å; L32-L63 PolarHBondContact N-O 3.42Å; L32-Y113 HydrophobicContact CD1-CD1 4.43Å; L32-Y113 HydrophobicContact CD1-CE1 3.87Å; L32-I134 HydrophobicContact CB-CG2 4.23Å; L32-I134 HydrophobicContact CD1-CD1 4.26Å; L32-F137 HydrophobicContact CD2-CB 3.84Å
33I93.4Very high87.6Confident44 Ų4451.8 Ų51.823%0.22628%0.275CS..EExtended strand (participates in β ladder)trans-118140.7-173.8-55.4176000109.1E4 I134 N135 G136 A138E4-I33 HydrophobicContact CG-CD1 3.74Å; I33-I134 CarbonylContact O-C 3.57Å; I33-I134 WeakPolarHBondContact O-CA 3.4Å; I33-I134 VanDerWaalsContact O-CG2 3.3Å; I33-I134 WeakPolarHBondContact O-CG2 3.3Å; I33-N135 VanDerWaalsContact C-OD1 3.3Å; I33-N135 WeakPolarHBondContact CG2-OD1 3.34Å; I33-N135 PolarHBondContact O-N 3.41Å; I33-N135 PolarHBondContact O-OD1 3.48Å; I33-G136 PolarHBondContact N-O 3.36Å; I33-G136 PolarHBondContact O-N 2.73Å; I33-A138 HydrophobicContact CD1-CB 3.93Å
34S92Very high86.1Confident22 Ų2255.6 Ų55.615%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-141146.6179.9-175.40000111.5Y36 S133S34-Y36 PolarHBondContact O-N 2.94Å; S34-Y36 VanDerWaalsContact OG-CB 3.28Å; S34-Y36 WeakPolarHBondContact OG-CB 3.2Å; S34-Y36 PolarHBondContact OG-N 3.29Å; S34-S133 VanDerWaalsContact CA-O 3.32Å; S34-S133 WeakPolarHBondContact CA-O 3.27Å; S34-S133 WeakPolarHBondContact CB-O 3.32Å; S34-S133 WeakPolarHBondContact OG-CB 3.4Å; S34-S133 PolarHBondContact OG-O 3.49Å; S34-S133 PolarHBondContact OG-OG 3.33Å; S34-S133 VanDerWaalsContact OG-OG 3.05Å
35D85.4Confident84.4Confident85 Ų8557.8 Ų57.846%0.45531%0.309SS..  trans-72.6-0.5166.2-67.1-46.1000112.3L37 S133 N135 R343D35-L37 PolarHBondContact O-N 2.71Å; D35-S133 PolarHBondContact N-O 3.42Å; D35-N135 PolarHBondContact OD1-ND2 2.74Å; D35-N135 PolarHBondContact OD2-ND2 3.04Å; D35-R343 IonicContact OD2-CZ 2.93Å; D35-R343 VanDerWaalsContact OD2-CZ 3.3Å; D35-R343 IonicContact OD2-NH1 3.96Å; D35-R343 PolarHBondContact OD2-NH1 3.41Å; D35-R343 IonicContact OD2-NH2 3.5Å; D35-R343 PolarHBondContact OD2-NH2 2.9Å
36Y87.4Confident82.7Confident89 Ų8960.4 Ų60.435%0.34932%0.318SS..  trans-76.9115.3-174.2-171.5-106.3000112.7S34 A38 T60 V129 P130 S133S34-Y36 PolarHBondContact O-N 2.94Å; S34-Y36 VanDerWaalsContact OG-CB 3.28Å; S34-Y36 WeakPolarHBondContact OG-CB 3.2Å; S34-Y36 PolarHBondContact OG-N 3.29Å; Y36-A38 HydrophobicContact CE1-CB 3.98Å; Y36-T60 HydrophobicContact CD1-CG2 3.83Å; Y36-T60 HydrophobicContact CE1-CG2 4.26Å; Y36-T60 PolarHBondContact O-OG1 3.16Å; Y36-V129 HydrophobicContact CD1-CB 4.49Å; Y36-V129 HydrophobicContact CD1-CG1 3.78Å; Y36-V129 HydrophobicContact CD1-CG2 4.37Å; Y36-V129 HydrophobicContact CG-CG1 3.95Å; Y36-P130 HydrophobicContact CD2-CG 4.44Å; Y36-P130 HydrophobicContact CE2-CG 4.31Å; Y36-S133 WeakPolarHBondContact CB-OG 3.31Å
37L83.6Confident80.7Confident106 Ų10663.1 Ų63.156%0.55533%0.327SS*.EExtended strand (participates in β ladder)trans-108.7121.8178-70179.3000109D35 I57 E59D35-L37 PolarHBondContact O-N 2.71Å; L37-I57 HydrophobicContact CB-CG2 3.58Å; L37-I57 HydrophobicContact CD1-CG2 4.08Å; L37-I57 HydrophobicContact CD2-CG2 4.3Å; L37-I57 HydrophobicContact CG-CG2 4.21Å; L37-E59 HydrophobicContact CD2-CG 4.43Å
38A82.1Confident78.8Confident9 Ų963.9 Ų63.97%0.07433%0.334CS..EExtended strand (participates in β ladder)trans-102.3151.5-173.600000111.9Y36 I57 V58 T60 P80Y36-A38 HydrophobicContact CE1-CB 3.98Å; A38-I57 WeakPolarHBondContact O-CA 3.2Å; A38-V58 PolarHBondContact N-O 3Å; A38-V58 PolarHBondContact O-N 3.47Å; A38-T60 HydrophobicContact CB-CG2 3.52Å; A38-P80 VanDerWaalsContact CB-CD 3.42Å; A38-P80 HydrophobicContact CB-CG 3.62Å
39F78.4Confident76.7Confident100 Ų10073.1 Ų73.144%0.43937%0.369SS..EExtended strand (participates in β ladder)trans-92.4122.5179.4172.3-89.4000110.6P41 L44 L55 P56F39-P41 HydrophobicContact CE1-CB 3.91Å; F39-P41 HydrophobicContact CE1-CG 4.5Å; F39-P41 WeakPolarHBondContact O-CD 3.48Å; F39-L44 HydrophobicContact CE2-CD1 4.48Å; F39-L44 HydrophobicContact CZ-CD1 4.02Å; F39-L55 HydrophobicContact CD2-CD2 4.48Å; F39-L55 HydrophobicContact CE2-CD2 4.07Å; F39-P56 HydrophobicContact CD2-CG 3.78Å; F39-P56 HydrophobicContact CE2-CG 3.54Å; F39-P56 HydrophobicContact CG-CG 4.47Å; F39-P56 HydrophobicContact CZ-CG 4.02Å
40D74.3Confident74.7Confident19 Ų1977.7 Ų77.710%0.10240%0.397CS..  trans-102.5101.5177.6-173.6-17.1000111.3T42 I43 P56 V58 P80D40-T42 PolarHBondContact O-N 3.44Å; D40-T42 VanDerWaalsContact O-N 3.11Å; D40-T42 WeakPolarHBondContact OD1-CA 3.34Å; D40-T42 VanDerWaalsContact OD1-CB 3.25Å; D40-T42 WeakPolarHBondContact OD1-CB 3.45Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.27Å; D40-T42 PolarHBondContact OD1-N 2.87Å; D40-T42 PolarHBondContact OD1-OG1 3.27Å; D40-T42 PolarHBondContact OD2-OG1 2.93Å; D40-I43 HydrophobicContact CB-CD1 3.9Å; D40-I43 HydrophobicContact CB-CG1 4.18Å; D40-I43 WeakPolarHBondContact OD2-CD1 3.42Å; D40-I43 WeakPolarHBondContact OD2-CG1 3.29Å; D40-P56 PolarHBondContact N-O 3.41Å; D40-P56 WeakPolarHBondContact O-CB 3.42Å; D40-P56 WeakPolarHBondContact O-CG 3.46Å; D40-V58 HydrophobicContact CB-CG2 3.66Å; D40-P80 HydrophobicContact CB-CB 3.77Å; D40-P80 HydrophobicContact CB-CG 4.34Å
41P68.9Low72.7Confident76 Ų7685 Ų8549%0.49444%0.436SS..THydrogen-bonded Turntrans-64.8-14.4178.226.4-33.8000114F39F39-P41 HydrophobicContact CE1-CB 3.91Å; F39-P41 HydrophobicContact CE1-CG 4.5Å; F39-P41 WeakPolarHBondContact O-CD 3.48Å
42T70.4Confident70.8Confident116 Ų11687.4 Ų87.471%0.71245%0.447SS*.THydrogen-bonded Turntrans-83.1-22.4-174.277.40000113.5D40 L44D40-T42 PolarHBondContact O-N 3.44Å; D40-T42 VanDerWaalsContact O-N 3.11Å; D40-T42 WeakPolarHBondContact OD1-CA 3.34Å; D40-T42 VanDerWaalsContact OD1-CB 3.25Å; D40-T42 WeakPolarHBondContact OD1-CB 3.45Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.27Å; D40-T42 PolarHBondContact OD1-N 2.87Å; D40-T42 PolarHBondContact OD1-OG1 3.27Å; D40-T42 PolarHBondContact OD2-OG1 2.93Å; T42-L44 VanDerWaalsContact C-N 3.29Å; T42-L44 PolarHBondContact O-N 2.95Å
43I66.7Low68.7Low98 Ų9889.4 Ų89.450%0.50346%0.461SS..SBendtrans-72.6-23.6176.8-66.1174.7000111.6D40 S45 P56 V58D40-I43 HydrophobicContact CB-CD1 3.9Å; D40-I43 HydrophobicContact CB-CG1 4.18Å; D40-I43 WeakPolarHBondContact OD2-CD1 3.42Å; D40-I43 WeakPolarHBondContact OD2-CG1 3.29Å; I43-S45 PolarHBondContact O-N 2.94Å; I43-P56 HydrophobicContact CB-CB 3.82Å; I43-P56 HydrophobicContact CG2-CB 4.07Å; I43-V58 HydrophobicContact CD1-CG2 3.56Å
44L63.1Low67.3Low84 Ų8495.1 Ų95.144%0.4449%0.487SS..  trans-69.793177.6-74.1166.2000111.6F39 T42 P56F39-L44 HydrophobicContact CE2-CD1 4.48Å; F39-L44 HydrophobicContact CZ-CD1 4.02Å; T42-L44 VanDerWaalsContact C-N 3.29Å; T42-L44 PolarHBondContact O-N 2.95Å; L44-P56 HydrophobicContact CD1-CG 3.92Å; L44-P56 HydrophobicContact CD2-CG 4.42Å; L44-P56 HydrophobicContact CG-CB 4.4Å; L44-P56 HydrophobicContact CG-CG 3.83Å
45S59.5Low66.1Low51 Ų5197 Ų9736%0.35750%0.495SS..  trans-63.8146.1172.9103.50000110.8I43 Q47 D48I43-S45 PolarHBondContact O-N 2.94Å; S45-Q47 PolarHBondContact O-N 3.49Å; S45-Q47 WeakPolarHBondContact OG-CB 3.48Å; S45-Q47 PolarHBondContact OG-N 3.23Å; S45-Q47 VanDerWaalsContact OG-N 3.14Å; S45-D48 VanDerWaalsContact CB-OD2 3.29Å; S45-D48 WeakPolarHBondContact CB-OD2 3.47Å; S45-D48 PolarHBondContact O-N 3.28Å; S45-D48 PolarHBondContact OG-OD2 3.27Å
46E58.4Low65.4Low153 Ų15393.5 Ų93.572%0.71548%0.477SS*.THydrogen-bonded Turntrans-62.4-14174.6-64-152.3113.500113.3R49E46-R49 IonicContact OE1-NH1 3.98Å; E46-R49 IonicContact OE1-NH2 2.98Å; E46-R49 PolarHBondContact OE1-NH2 2.91Å
47Q53.3Low64.8Low166 Ų16693.6 Ų93.678%0.77648%0.482SS*.THydrogen-bonded Turntrans-75.6-31.2179.5-140.875.147.200112.4S45 R49S45-Q47 PolarHBondContact O-N 3.49Å; S45-Q47 WeakPolarHBondContact OG-CB 3.48Å; S45-Q47 PolarHBondContact OG-N 3.23Å; S45-Q47 VanDerWaalsContact OG-N 3.14Å; Q47-R49 VanDerWaalsContact C-N 3.28Å; Q47-R49 PolarHBondContact O-N 3.43Å
48D54.6Low64.6Low82 Ų8290.7 Ų90.744%0.43947%0.468SS..  trans-9025.5-166.5-62.3-57.1000113.6S45 T50 C53S45-D48 VanDerWaalsContact CB-OD2 3.29Å; S45-D48 WeakPolarHBondContact CB-OD2 3.47Å; S45-D48 PolarHBondContact O-N 3.28Å; S45-D48 PolarHBondContact OG-OD2 3.27Å; D48-T50 PolarHBondContact O-N 3.33Å; D48-C53 PolarHBondContact O-SG 3.42Å
49R53.1Low64.7Low193 Ų19398.3 Ų98.373%0.72850%0.503SS*.  trans-78.941.9179.3-66.3-174.4176.2150.29113.5E46 Q47E46-R49 IonicContact OE1-NH1 3.98Å; E46-R49 IonicContact OE1-NH2 2.98Å; E46-R49 PolarHBondContact OE1-NH2 2.91Å; Q47-R49 VanDerWaalsContact C-N 3.28Å; Q47-R49 PolarHBondContact O-N 3.43Å
50T54.3Low65.2Low104 Ų10494.6 Ų94.664%0.63849%0.488SS*.SBendtrans-122.683.7-177.249.90000113D48 E52D48-T50 PolarHBondContact O-N 3.33Å; T50-E52 VanDerWaalsContact C-N 3.27Å; T50-E52 PolarHBondContact O-N 2.92Å
51D54.8Low66Low158 Ų15896 Ų9685%0.84549%0.494SS*.SBendtrans45.6-19.5156.9-67.1-29.2000122.9
52E55.7Low67.3Low71 Ų7192.5 Ų92.533%0.33247%0.471SS..  trans-130.737.6178.7-68.1-172.5161.500113.5T50 K826 L829 N830 N833T50-E52 VanDerWaalsContact C-N 3.27Å; T50-E52 PolarHBondContact O-N 2.92Å; E52-K826 IonicContact OE2-NZ 2.63Å; E52-L829 HydrophobicContact CB-CD2 4.47Å; E52-N830 PolarHBondContact OE1-ND2 3.13Å; E52-N833 WeakPolarHBondContact CA-ND2 3.43Å
53C54.3Low68.5Low51 Ų5187 Ų8735%0.34544%0.437SS..PPolyproline II helixtrans-82.6125.5177.2-73.10000113D48D48-C53 PolarHBondContact O-SG 3.42Å
54E63Low70Confident165 Ų16584.8 Ų84.877%0.77143%0.425SS*.PPolyproline II helixtrans-52.3139.7163.6-63.6174.5158.100109.6
55L66.1Low71.6Confident62 Ų6280.9 Ų80.933%0.32541%0.405SS..PPolyproline II helixtrans-62.4139.1172.8-69.8172.4000108.6F39 I57 F832 I836F39-L55 HydrophobicContact CD2-CD2 4.48Å; F39-L55 HydrophobicContact CE2-CD2 4.07Å; L55-I57 HydrophobicContact CB-CD1 3.83Å; L55-I57 HydrophobicContact CB-CG1 3.79Å; L55-I57 HydrophobicContact CD1-CD1 4.33Å; L55-I57 PolarHBondContact O-N 2.92Å; L55-F832 HydrophobicContact CD1-CZ 4.33Å; L55-I836 HydrophobicContact CD1-CD1 3.82Å; L55-I836 HydrophobicContact CD2-CD1 4.24Å; L55-I836 HydrophobicContact CG-CD1 3.98Å
56P72.3Confident73.4Confident11 Ų1180.2 Ų80.27%0.07140%0.397CS..  trans-7174.8177.534.1-41.1000110.2F39 D40 I43 L44F39-P56 HydrophobicContact CD2-CG 3.78Å; F39-P56 HydrophobicContact CE2-CG 3.54Å; F39-P56 HydrophobicContact CG-CG 4.47Å; F39-P56 HydrophobicContact CZ-CG 4.02Å; D40-P56 PolarHBondContact N-O 3.41Å; D40-P56 WeakPolarHBondContact O-CB 3.42Å; D40-P56 WeakPolarHBondContact O-CG 3.46Å; I43-P56 HydrophobicContact CB-CB 3.82Å; I43-P56 HydrophobicContact CG2-CB 4.07Å; L44-P56 HydrophobicContact CD1-CG 3.92Å; L44-P56 HydrophobicContact CD2-CG 4.42Å; L44-P56 HydrophobicContact CG-CB 4.4Å; L44-P56 HydrophobicContact CG-CG 3.83Å
57I73.3Confident75.3Confident91 Ų9173 Ų7347%0.46736%0.363SS..EExtended strand (participates in β ladder)trans-94.7128.8-176.6-67.9174.2000108.6L37 A38 L55L37-I57 HydrophobicContact CB-CG2 3.58Å; L37-I57 HydrophobicContact CD1-CG2 4.08Å; L37-I57 HydrophobicContact CD2-CG2 4.3Å; L37-I57 HydrophobicContact CG-CG2 4.21Å; A38-I57 WeakPolarHBondContact O-CA 3.2Å; L55-I57 HydrophobicContact CB-CD1 3.83Å; L55-I57 HydrophobicContact CB-CG1 3.79Å; L55-I57 HydrophobicContact CD1-CD1 4.33Å; L55-I57 PolarHBondContact O-N 2.92Å
58V81Confident77.4Confident44 Ų4468.3 Ų68.327%0.26734%0.341SS..EExtended strand (participates in β ladder)trans-126.5139.4-172.9-176.70000109.6A38 D40 I43 P80A38-V58 PolarHBondContact N-O 3Å; A38-V58 PolarHBondContact O-N 3.47Å; D40-V58 HydrophobicContact CB-CG2 3.66Å; I43-V58 HydrophobicContact CD1-CG2 3.56Å; V58-P80 HydrophobicContact CB-CG 3.87Å; V58-P80 HydrophobicContact CG1-CG 4.22Å; V58-P80 HydrophobicContact CG2-CG 4.49Å
59E82.2Confident79.3Confident170 Ų17065.5 Ų65.579%0.79433%0.327SS*.EExtended strand (participates in β ladder)trans-62.7142.3174.8-63178.3166.200110.8L37L37-E59 HydrophobicContact CD2-CG 4.43Å
60T89.1Confident81.3Confident22 Ų2260.3 Ų60.314%0.13532%0.317CS..  trans-110.3156.5176.6670000111.8Y36 A38 V129Y36-T60 HydrophobicContact CD1-CG2 3.83Å; Y36-T60 HydrophobicContact CE1-CG2 4.26Å; Y36-T60 PolarHBondContact O-OG1 3.16Å; A38-T60 HydrophobicContact CB-CG2 3.52Å; T60-V129 HydrophobicContact CG2-CG2 4.33Å; T60-V129 WeakPolarHBondContact OG1-CG2 3.34Å
61Q92.6Very high83.2Confident49 Ų4955.5 Ų55.523%0.22929%0.288CS..EExtended strand (participates in β ladder)trans-124.194.4178.8-168.5178.619.800108.8L63 Q64 A77 N78Q61-L63 VanDerWaalsContact C-N 3.34Å; Q61-L63 PolarHBondContact O-N 3.3Å; Q61-Q64 HydrophobicContact CG-CB 4.47Å; Q61-Q64 VanDerWaalsContact NE2-CB 3.25Å; Q61-A77 WeakPolarHBondContact O-CA 2.83Å; Q61-N78 HydrophobicContact CB-CB 4.09Å; Q61-N78 PolarHBondContact N-O 3.38Å; Q61-N78 PolarHBondContact O-N 3.21Å; Q61-N78 PolarHBondContact OE1-ND2 3.15Å
62P94.7Very high85.3Confident1 Ų150 Ų501%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-57.8-43-173.6-22.228.1000113.6L32 A77 Y113 V129 I134L32-P62 HydrophobicContact CB-CB 4.18Å; P62-A77 VanDerWaalsContact O-CB 3.27Å; P62-A77 WeakPolarHBondContact O-CB 3.24Å; P62-Y113 VanDerWaalsContact O-CE2 3.25Å; P62-Y113 WeakPolarHBondContact O-CE2 3.39Å; P62-Y113 PolarHBondContact O-OH 2.91Å; P62-V129 HydrophobicContact CB-CB 4.02Å; P62-V129 HydrophobicContact CB-CG1 4.39Å; P62-V129 HydrophobicContact CB-CG2 4.26Å; P62-V129 HydrophobicContact CG-CB 4.11Å; P62-V129 HydrophobicContact CG-CG1 4.04Å; P62-V129 HydrophobicContact CG-CG2 4.15Å; P62-I134 HydrophobicContact CB-CD1 4.16Å; P62-I134 HydrophobicContact CB-CG1 4.08Å; P62-I134 HydrophobicContact CG-CG1 4.27Å
63L96.8Very high87.3Confident1 Ų147.4 Ų47.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-164144172.3-168.266.9000109.8L32 Q61 I65 I75 N76 V106 Y113 V115L32-L63 HydrophobicContact CB-CB 4.33Å; L32-L63 HydrophobicContact CD1-CB 3.78Å; L32-L63 HydrophobicContact CD1-CD2 4.25Å; L32-L63 HydrophobicContact CG-CB 3.98Å; L32-L63 PolarHBondContact N-O 3.42Å; Q61-L63 VanDerWaalsContact C-N 3.34Å; Q61-L63 PolarHBondContact O-N 3.3Å; L63-I65 HydrophobicContact CD2-CD1 3.89Å; L63-I65 HydrophobicContact CD2-CG1 4.15Å; L63-I65 HydrophobicContact CG-CD1 4.5Å; L63-I65 HydrophobicContact CG-CG1 4.25Å; L63-I75 HydrophobicContact CD1-CG2 3.78Å; L63-N76 CarbonylContact C-O 3.58Å; L63-N76 WeakPolarHBondContact CA-O 3.08Å; L63-V106 HydrophobicContact CD2-CG1 3.91Å; L63-Y113 HydrophobicContact CB-CD2 4.33Å; L63-Y113 HydrophobicContact CB-CE2 4.1Å; L63-Y113 HydrophobicContact CD1-CD2 3.92Å; L63-Y113 HydrophobicContact CD1-CE2 4.36Å; L63-Y113 HydrophobicContact CD1-CG 4.47Å; L63-Y113 HydrophobicContact CD2-CD1 4.17Å; L63-Y113 HydrophobicContact CD2-CD2 4.05Å; L63-Y113 HydrophobicContact CD2-CG 3.82Å; L63-Y113 HydrophobicContact CG-CD2 4.33Å; L63-V115 HydrophobicContact CD2-CG2 4.34Å
64Q97.1Very high89.3Confident52 Ų5247.8 Ų47.824%0.24325%0.248CC..EExtended strand (participates in β ladder)trans-133.7133166163.51738100108.9I30 D31 Q61 I75 N76I30-Q64 WeakPolarHBondContact O-CA 3.17Å; D31-Q64 WeakPolarHBondContact OD1-CG 3.4Å; D31-Q64 PolarHBondContact OD1-NE2 3.18Å; Q61-Q64 HydrophobicContact CG-CB 4.47Å; Q61-Q64 VanDerWaalsContact NE2-CB 3.25Å; Q64-I75 CarbonylContact O-C 3.54Å; Q64-I75 VanDerWaalsContact O-CA 3.3Å; Q64-I75 WeakPolarHBondContact O-CA 3.31Å; Q64-N76 PolarHBondContact N-O 3.47Å; Q64-N76 PolarHBondContact O-N 3.1Å
65I97.9Very high91Very high2 Ų240 Ų401%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-121.4126.9176.1-58.5158000107.8S29 I30 L63 I67 I75 V106 V115S29-I65 CarbonylContact C-O 3.51Å; S29-I65 VanDerWaalsContact CA-O 3.25Å; S29-I65 WeakPolarHBondContact CA-O 3.18Å; I30-I65 HydrophobicContact CG2-CB 3.82Å; I30-I65 HydrophobicContact CG2-CD1 3.93Å; I30-I65 HydrophobicContact CG2-CG1 4.37Å; I30-I65 PolarHBondContact N-O 3.4Å; I30-I65 PolarHBondContact O-N 2.95Å; L63-I65 HydrophobicContact CD2-CD1 3.89Å; L63-I65 HydrophobicContact CD2-CG1 4.15Å; L63-I65 HydrophobicContact CG-CD1 4.5Å; L63-I65 HydrophobicContact CG-CG1 4.25Å; I65-I67 HydrophobicContact CG2-CD1 4.18Å; I65-I67 HydrophobicContact CG2-CG1 3.97Å; I65-I75 HydrophobicContact CB-CG1 4.48Å; I65-I75 HydrophobicContact CG1-CG1 4.17Å; I65-I75 HydrophobicContact CG1-CG2 4.34Å; I65-I75 HydrophobicContact CG2-CG1 4.17Å; I65-V106 HydrophobicContact CD1-CG2 3.44Å; I65-V106 VanDerWaalsContact CD1-CG2 3.44Å; I65-V115 HydrophobicContact CD1-CB 4.38Å; I65-V115 HydrophobicContact CD1-CG1 3.71Å; I65-V115 HydrophobicContact CD1-CG2 3.68Å; I65-V115 HydrophobicContact CG1-CG1 4.26Å; I65-V115 HydrophobicContact CG1-CG2 4.14Å; I65-V115 HydrophobicContact CG2-CG1 4.31Å
66L97.5Very high92.4Very high37 Ų3738.5 Ų38.519%0.19420%0.203CC..EExtended strand (participates in β ladder)trans-121.4131.3175.3172.461.8000108.9K27 W73 D74K27-L66 HydrophobicContact CB-CD1 4.19Å; K27-L66 HydrophobicContact CD-CD1 3.54Å; K27-L66 HydrophobicContact CG-CD1 4.48Å; L66-W73 CarbonylContact O-C 3.54Å; L66-W73 WeakPolarHBondContact O-CA 3.38Å; L66-W73 WeakPolarHBondContact O-CB 3.46Å; L66-D74 HydrophobicContact CB-CB 4.38Å; L66-D74 PolarHBondContact N-O 3.01Å; L66-D74 PolarHBondContact O-N 3.39Å
67I97.8Very high93.5Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-133.9126.6178.9-45.9-177.5000109.5K27 F28 I65 W73 A91 F96 L117 L122K27-I67 CarbonylContact C-O 3.55Å; K27-I67 VanDerWaalsContact CA-O 3.23Å; K27-I67 WeakPolarHBondContact CA-O 3.45Å; K27-I67 WeakPolarHBondContact CB-O 3.44Å; F28-I67 HydrophobicContact CD1-CD1 4.13Å; F28-I67 HydrophobicContact CD1-CG1 4.34Å; F28-I67 PolarHBondContact N-O 3.02Å; F28-I67 PolarHBondContact O-N 3.45Å; I65-I67 HydrophobicContact CG2-CD1 4.18Å; I65-I67 HydrophobicContact CG2-CG1 3.97Å; I67-W73 HydrophobicContact CG1-CB 4.48Å; I67-W73 HydrophobicContact CG2-CB 4.49Å; I67-A91 HydrophobicContact CG2-CB 3.5Å; I67-F96 HydrophobicContact CB-CD1 4.43Å; I67-F96 HydrophobicContact CB-CE1 4.36Å; I67-F96 HydrophobicContact CB-CZ 4.44Å; I67-F96 HydrophobicContact CG2-CB 4.05Å; I67-F96 HydrophobicContact CG2-CD1 3.55Å; I67-F96 HydrophobicContact CG2-CD2 4.04Å; I67-F96 HydrophobicContact CG2-CE1 3.95Å; I67-F96 HydrophobicContact CG2-CE2 4.4Å; I67-F96 HydrophobicContact CG2-CG 3.6Å; I67-F96 HydrophobicContact CG2-CZ 4.37Å; I67-L117 HydrophobicContact CD1-CD1 4.41Å; I67-L117 HydrophobicContact CD1-CD2 4.49Å; I67-L117 HydrophobicContact CG2-CD2 4.45Å; I67-L122 HydrophobicContact CD1-CD1 4Å
68E96.6Very high94.3Very high69 Ų6936.5 Ų36.532%0.32219%0.193SC..EExtended strand (participates in β ladder)trans-108.4149.6-179.7-66.1-164.8147.100113.2N26 T70 G71 S72N26-E68 WeakPolarHBondContact O-CA 3.47Å; E68-T70 HydrophobicContact CB-CG2 4.34Å; E68-T70 WeakPolarHBondContact CB-OG1 3.47Å; E68-T70 PolarHBondContact O-N 3.42Å; E68-T70 WeakPolarHBondContact OE2-CG2 3.34Å; E68-T70 PolarHBondContact OE2-OG1 3.02Å; E68-G71 PolarHBondContact O-N 3.36Å; E68-S72 PolarHBondContact N-O 3.32Å; E68-S72 WeakPolarHBondContact OE2-CB 3.48Å; E68-S72 PolarHBondContact OE2-OG 3.37Å
69T95Very high94.6Very high22 Ų2235.6 Ų35.614%0.13519%0.189CC..THydrogen-bonded Turntrans-69.5-13173.2630000113.8G24 N25 N26 G71 F96 A98G24-T69 VanDerWaalsContact O-CG2 3.29Å; G24-T69 WeakPolarHBondContact O-CG2 3.48Å; N25-T69 WeakPolarHBondContact O-CB 3.45Å; N25-T69 WeakPolarHBondContact O-CG2 3.23Å; N25-T69 PolarHBondContact O-OG1 3.37Å; N26-T69 PolarHBondContact O-N 3.48Å; N26-T69 PolarHBondContact O-OG1 3.5Å; T69-G71 PolarHBondContact O-N 3.49Å; T69-F96 HydrophobicContact CG2-CD1 4.49Å; T69-F96 HydrophobicContact CG2-CE1 3.94Å; T69-A98 HydrophobicContact CG2-CB 4.04Å
70T94.9Very high94.6Very high85 Ų8529.2 Ų29.252%0.52116%0.162SC..THydrogen-bonded Turntrans-58.7-33.1165.760.90000110.7E68 S72E68-T70 HydrophobicContact CB-CG2 4.34Å; E68-T70 WeakPolarHBondContact CB-OG1 3.47Å; E68-T70 PolarHBondContact O-N 3.42Å; E68-T70 WeakPolarHBondContact OE2-CG2 3.34Å; E68-T70 PolarHBondContact OE2-OG1 3.02Å; T70-S72 WeakPolarHBondContact OG1-CB 3.39Å; T70-S72 PolarHBondContact OG1-N 3.01Å; T70-S72 VanDerWaalsContact OG1-N 3.14Å; T70-S72 PolarHBondContact OG1-OG 2.98Å
71G95.6Very high94.1Very high2 Ų236 Ų362%0.02119%0.192CC..SBendtrans110.9-12.2-170.800000113.3E68 T69 S89 S90 A91E68-G71 PolarHBondContact O-N 3.36Å; T69-G71 PolarHBondContact O-N 3.49Å; G71-S89 CarbonylContact O-C 3.57Å; G71-S89 WeakPolarHBondContact O-CA 3.43Å; G71-S90 PolarHBondContact O-N 2.97Å; G71-A91 WeakPolarHBondContact O-CB 3.48Å; G71-A91 PolarHBondContact O-N 3.37Å; G71-A91 VanDerWaalsContact O-N 3.12Å
72S97.3Very high93.9Very high44 Ų4437.3 Ų37.331%0.30820%0.204SC..  trans-62.6150.6174.2-49.50000111.7E68 T70 G88E68-S72 PolarHBondContact N-O 3.32Å; E68-S72 WeakPolarHBondContact OE2-CB 3.48Å; E68-S72 PolarHBondContact OE2-OG 3.37Å; T70-S72 WeakPolarHBondContact OG1-CB 3.39Å; T70-S72 PolarHBondContact OG1-N 3.01Å; T70-S72 VanDerWaalsContact OG1-N 3.14Å; T70-S72 PolarHBondContact OG1-OG 2.98Å; S72-G88 CarbonylContact C-O 3.58Å; S72-G88 VanDerWaalsContact CA-O 3.3Å; S72-G88 WeakPolarHBondContact CA-O 3.44Å
73W97.8Very high93.6Very high16 Ų1641.1 Ų41.16%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-151.5149.6166.658.6-95.4000110.5L66 I67 I75 S86 H87 G88 S90 L122L66-W73 CarbonylContact O-C 3.54Å; L66-W73 WeakPolarHBondContact O-CA 3.38Å; L66-W73 WeakPolarHBondContact O-CB 3.46Å; I67-W73 HydrophobicContact CG1-CB 4.48Å; I67-W73 HydrophobicContact CG2-CB 4.49Å; W73-I75 HydrophobicContact CE3-CD1 3.9Å; W73-I75 HydrophobicContact CE3-CG1 3.89Å; W73-I75 HydrophobicContact CZ3-CB 4.44Å; W73-I75 HydrophobicContact CZ3-CD1 3.8Å; W73-I75 HydrophobicContact CZ3-CG1 4.02Å; W73-S86 WeakPolarHBondContact CZ3-O 3.19Å; W73-H87 CarbonylContact O-C 3.55Å; W73-H87 VanDerWaalsContact O-CA 3.26Å; W73-H87 WeakPolarHBondContact O-CA 3.29Å; W73-G88 PolarHBondContact N-O 3.44Å; W73-G88 PolarHBondContact O-N 2.92Å; W73-S90 PolarHBondContact NE1-OG 2.85Å; W73-L122 HydrophobicContact CD2-CD2 4.09Å; W73-L122 HydrophobicContact CG-CD2 4Å; W73-L122 WeakPolarHBondContact CH2-O 3.44Å; W73-L122 HydrophobicContact CZ2-CD2 4.45Å; W73-L122 WeakPolarHBondContact CZ2-O 3.23Å
74D97.6Very high93.4Very high59 Ų5942.5 Ų42.532%0.31624%0.239SC..EExtended strand (participates in β ladder)trans-133.7137.3176-55.6-65.1000109L66 S86 H87L66-D74 HydrophobicContact CB-CB 4.38Å; L66-D74 PolarHBondContact N-O 3.01Å; L66-D74 PolarHBondContact O-N 3.39Å; D74-S86 CarbonylContact C-O 3.58Å; D74-H87 WeakPolarHBondContact OD1-CB 3.44Å
75I97.4Very high93.3Very high1 Ų143.7 Ų43.71%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-130119.5177-62.7172.6000107.2L63 Q64 I65 W73 S85 S86 V115 L122L63-I75 HydrophobicContact CD1-CG2 3.78Å; Q64-I75 CarbonylContact O-C 3.54Å; Q64-I75 VanDerWaalsContact O-CA 3.3Å; Q64-I75 WeakPolarHBondContact O-CA 3.31Å; I65-I75 HydrophobicContact CB-CG1 4.48Å; I65-I75 HydrophobicContact CG1-CG1 4.17Å; I65-I75 HydrophobicContact CG1-CG2 4.34Å; I65-I75 HydrophobicContact CG2-CG1 4.17Å; W73-I75 HydrophobicContact CE3-CD1 3.9Å; W73-I75 HydrophobicContact CE3-CG1 3.89Å; W73-I75 HydrophobicContact CZ3-CB 4.44Å; W73-I75 HydrophobicContact CZ3-CD1 3.8Å; W73-I75 HydrophobicContact CZ3-CG1 4.02Å; I75-S85 WeakPolarHBondContact O-CA 3.44Å; I75-S86 PolarHBondContact N-O 3.3Å; I75-S86 PolarHBondContact O-N 3.06Å; I75-V115 HydrophobicContact CD1-CB 3.84Å; I75-V115 HydrophobicContact CD1-CG1 3.95Å; I75-V115 HydrophobicContact CD1-CG2 4.01Å; I75-L122 HydrophobicContact CD1-CB 4.09Å
76N96Very high93.2Very high30 Ų3045.3 Ų45.316%0.1626%0.264CS..EExtended strand (participates in β ladder)trans-133.4144.4-172.7-53.2-67.1000111.5L63 Q64 T84 S85L63-N76 CarbonylContact C-O 3.58Å; L63-N76 WeakPolarHBondContact CA-O 3.08Å; Q64-N76 PolarHBondContact N-O 3.47Å; Q64-N76 PolarHBondContact O-N 3.1Å; N76-T84 VanDerWaalsContact CA-O 3.3Å; N76-T84 WeakPolarHBondContact CA-O 3.22Å; N76-S85 VanDerWaalsContact OD1-CB 3.29Å; N76-S85 WeakPolarHBondContact OD1-CB 3.47Å; N76-S85 PolarHBondContact OD1-OG 2.74Å
77A94.8Very high93.1Very high0 Ų050 Ų500%029%0.285CS..EExtended strand (participates in β ladder)trans-135147.3162.200000109.6Q61 P62 S83 T84 L128Q61-A77 WeakPolarHBondContact O-CA 2.83Å; P62-A77 VanDerWaalsContact O-CB 3.27Å; P62-A77 WeakPolarHBondContact O-CB 3.24Å; A77-S83 VanDerWaalsContact O-CA 3.31Å; A77-S83 WeakPolarHBondContact O-CA 3.42Å; A77-S83 WeakPolarHBondContact O-CB 3.23Å; A77-T84 WeakPolarHBondContact CB-OG1 3.41Å; A77-T84 PolarHBondContact N-O 3.01Å; A77-T84 PolarHBondContact O-N 3.34Å; A77-L128 HydrophobicContact CB-CD1 3.98Å; A77-L128 HydrophobicContact CB-CG 4.17Å; A77-L128 WeakPolarHBondContact O-CD1 3.42Å
78N91.1Very high93Very high61 Ų6151.3 Ų51.333%0.32630%0.299SS..EExtended strand (participates in β ladder)trans-136.9131-175.8-66.1-70.4000112Q61 S83Q61-N78 HydrophobicContact CB-CB 4.09Å; Q61-N78 PolarHBondContact N-O 3.38Å; Q61-N78 PolarHBondContact O-N 3.21Å; Q61-N78 PolarHBondContact OE1-ND2 3.15Å; N78-S83 WeakPolarHBondContact OD1-CB 3.34Å
79S87.8Confident93Very high25 Ų2552.6 Ų52.618%0.17532%0.315CS..  trans-125.2171.9161.576.60000109E81 T82S79-E81 VanDerWaalsContact C-N 3.3Å; S79-E81 PolarHBondContact O-N 2.93Å; S79-E81 PolarHBondContact OG-N 3.23Å; S79-T82 CarbonylContact C-O 3.59Å; S79-T82 WeakPolarHBondContact CA-O 3.39Å; S79-T82 PolarHBondContact N-O 2.92Å; S79-T82 PolarHBondContact OG-N 2.92Å; S79-T82 PolarHBondContact OG-O 3.09Å; S79-T82 PolarHBondContact OG-OG1 2.81Å
80P80.8Confident93Very high36 Ų3652.9 Ų52.923%0.23432%0.318CS..SBendtrans-69.7-25.5174.2-21.535.7000113.8A38 D40 V58A38-P80 VanDerWaalsContact CB-CD 3.42Å; A38-P80 HydrophobicContact CB-CG 3.62Å; D40-P80 HydrophobicContact CB-CB 3.77Å; D40-P80 HydrophobicContact CB-CG 4.34Å; V58-P80 HydrophobicContact CB-CG 3.87Å; V58-P80 HydrophobicContact CG1-CG 4.22Å; V58-P80 HydrophobicContact CG2-CG 4.49Å
81E79.9Confident93.1Very high165 Ų16548.9 Ų48.977%0.77129%0.293SS*.SBendtrans-84.3-36.8-179.5-58.7-167.5165.500112.2S79S79-E81 VanDerWaalsContact C-N 3.3Å; S79-E81 PolarHBondContact O-N 2.93Å; S79-E81 PolarHBondContact OG-N 3.23Å
82T87.1Confident93Very high75 Ų7553.7 Ų53.746%0.4631%0.314SS..  trans-151.2155.8-171.157.90000112.4S79S79-T82 CarbonylContact C-O 3.59Å; S79-T82 WeakPolarHBondContact CA-O 3.39Å; S79-T82 PolarHBondContact N-O 2.92Å; S79-T82 PolarHBondContact OG-N 2.92Å; S79-T82 PolarHBondContact OG-O 3.09Å; S79-T82 PolarHBondContact OG-OG1 2.81Å
83S90Very high92.9Very high82 Ų8261.8 Ų61.857%0.57334%0.337SS*.EExtended strand (participates in β ladder)trans-138.1147.6166.956.70000111.6A77 N78A77-S83 VanDerWaalsContact O-CA 3.31Å; A77-S83 WeakPolarHBondContact O-CA 3.42Å; A77-S83 WeakPolarHBondContact O-CB 3.23Å; N78-S83 WeakPolarHBondContact OD1-CB 3.34Å
84T92Very high92.8Very high29 Ų2963 Ų6318%0.17834%0.343CS..EExtended strand (participates in β ladder)trans-113.2141.7172.2540000109.2N76 A77 S125 E126 L128N76-T84 VanDerWaalsContact CA-O 3.3Å; N76-T84 WeakPolarHBondContact CA-O 3.22Å; A77-T84 WeakPolarHBondContact CB-OG1 3.41Å; A77-T84 PolarHBondContact N-O 3.01Å; A77-T84 PolarHBondContact O-N 3.34Å; T84-S125 PolarHBondContact OG1-OG 3.22Å; T84-E126 HydrophobicContact CG2-CB 4.35Å; T84-L128 HydrophobicContact CG2-CD1 4.16Å; T84-L128 HydrophobicContact CG2-CD2 4.28Å; T84-L128 HydrophobicContact CG2-CG 4.46Å
85S94Very high92.6Very high77 Ų7761 Ų6154%0.53834%0.336SS..EExtended strand (participates in β ladder)trans-149116.3176.8-175.50000110I75 N76I75-S85 WeakPolarHBondContact O-CA 3.44Å; N76-S85 VanDerWaalsContact OD1-CB 3.29Å; N76-S85 WeakPolarHBondContact OD1-CB 3.47Å; N76-S85 PolarHBondContact OD1-OG 2.74Å
86S95.8Very high92.6Very high36 Ų3660.9 Ų60.925%0.25234%0.336SS..EExtended strand (participates in β ladder)trans-118.5133.4176.2-72.40000108.7W73 D74 I75 S123W73-S86 WeakPolarHBondContact CZ3-O 3.19Å; D74-S86 CarbonylContact C-O 3.58Å; I75-S86 PolarHBondContact N-O 3.3Å; I75-S86 PolarHBondContact O-N 3.06Å; S86-S123 VanDerWaalsContact CB-OG 3.23Å; S86-S123 WeakPolarHBondContact CB-OG 3.47Å; S86-S123 PolarHBondContact OG-OG 3.17Å
87H96.2Very high92.5Very high137 Ų13764.1 Ų64.163%0.63435%0.346SS*.EExtended strand (participates in β ladder)trans-142.6155.9-17857.2-91.4000112W73 D74W73-H87 CarbonylContact O-C 3.55Å; W73-H87 VanDerWaalsContact O-CA 3.26Å; W73-H87 WeakPolarHBondContact O-CA 3.29Å; D74-H87 WeakPolarHBondContact OD1-CB 3.44Å
88G96.3Very high92.6Very high27 Ų2766.1 Ų66.128%0.27836%0.363SS..EExtended strand (participates in β ladder)trans-166.2-173.7-177.800000114.6S72 W73S72-G88 CarbonylContact C-O 3.58Å; S72-G88 VanDerWaalsContact CA-O 3.3Å; S72-G88 WeakPolarHBondContact CA-O 3.44Å; W73-G88 PolarHBondContact N-O 3.44Å; W73-G88 PolarHBondContact O-N 2.92Å
89S96.2Very high92.7Very high96 Ų9667.5 Ų67.567%0.67137%0.37SS*.SBendtrans-132.519.8-178.553.60000113.2G71G71-S89 CarbonylContact O-C 3.57Å; G71-S89 WeakPolarHBondContact O-CA 3.43Å
90S95Very high93Very high28 Ų2870.4 Ų70.420%0.19638%0.381CS..  trans-88.3-12.2-174.553.30000114.9G71 W73 K92 R93 F94G71-S90 PolarHBondContact O-N 2.97Å; W73-S90 PolarHBondContact NE1-OG 2.85Å; S90-K92 PolarHBondContact O-N 3.32Å; S90-K92 VanDerWaalsContact O-N 3.12Å; S90-R93 WeakPolarHBondContact O-CA 3.24Å; S90-R93 VanDerWaalsContact O-CB 3.28Å; S90-R93 WeakPolarHBondContact O-CB 3.29Å; S90-R93 PolarHBondContact O-N 3.37Å; S90-F94 PolarHBondContact O-N 2.83Å
91A95.6Very high93.7Very high0 Ų073.8 Ų73.80%040%0.397CS..THydrogen-bonded Turntrans-58.4-36.8-170.300000112.9I67 G71 R93 F94 G95 F96 L117I67-A91 HydrophobicContact CG2-CB 3.5Å; G71-A91 WeakPolarHBondContact O-CB 3.48Å; G71-A91 PolarHBondContact O-N 3.37Å; G71-A91 VanDerWaalsContact O-N 3.12Å; A91-R93 VanDerWaalsContact C-N 3.31Å; A91-R93 PolarHBondContact O-N 3.44Å; A91-F94 CarbonylContact O-C 3.46Å; A91-F94 WeakPolarHBondContact O-CA 3.33Å; A91-F94 PolarHBondContact O-N 2.95Å; A91-F94 VanDerWaalsContact O-N 3.13Å; A91-G95 PolarHBondContact O-N 3.39Å; A91-F96 HydrophobicContact CB-CB 4.11Å; A91-F96 PolarHBondContact O-N 2.81Å; A91-L117 HydrophobicContact CB-CD2 3.69Å
92K95.3Very high94.5Very high103 Ų10366.1 Ų66.145%0.44836%0.361SS..THydrogen-bonded Turntrans-71-20.1175.8-178.3163.2-169.9161.80114.8S90 F96 R97S90-K92 PolarHBondContact O-N 3.32Å; S90-K92 VanDerWaalsContact O-N 3.12Å; K92-F96 WeakPolarHBondContact CA-O 3.22Å; K92-R97 HydrophobicContact CG-CG 4.07Å; K92-R97 PolarHBondContact O-NE 2.73Å; K92-R97 PolarHBondContact O-NH2 3.18Å
93R95.1Very high94.9Very high214 Ų21464 Ų6481%0.80835%0.348SS*.THydrogen-bonded Turntrans-79.2-40167.5-58.4-173.2178.9-157.61110.2S90 A91 G95S90-R93 WeakPolarHBondContact O-CA 3.24Å; S90-R93 VanDerWaalsContact O-CB 3.28Å; S90-R93 WeakPolarHBondContact O-CB 3.29Å; S90-R93 PolarHBondContact O-N 3.37Å; A91-R93 VanDerWaalsContact C-N 3.31Å; A91-R93 PolarHBondContact O-N 3.44Å; R93-G95 PolarHBondContact O-N 2.84Å; R93-G95 VanDerWaalsContact O-N 3.17Å
94F95.3Very high95.3Very high42 Ų4260.2 Ų60.218%0.18432%0.321CS..THydrogen-bonded Turntrans-80.425.6174.3-54.5-15.1000113.1S90 A91 F96 L117 N118 M120 M121 L122S90-F94 PolarHBondContact O-N 2.83Å; A91-F94 CarbonylContact O-C 3.46Å; A91-F94 WeakPolarHBondContact O-CA 3.33Å; A91-F94 PolarHBondContact O-N 2.95Å; A91-F94 VanDerWaalsContact O-N 3.13Å; F94-F96 PolarHBondContact O-N 2.87Å; F94-L117 HydrophobicContact CB-CD2 3.87Å; F94-L117 HydrophobicContact CB-CG 4.09Å; F94-N118 PolarHBondContact O-ND2 3.26Å; F94-M120 HydrophobicContact CB-CB 4.06Å; F94-M120 HydrophobicContact CB-CG 4.37Å; F94-M120 HydrophobicContact CD1-CB 3.72Å; F94-M120 HydrophobicContact CD1-CE 4.09Å; F94-M120 HydrophobicContact CD1-CG 3.84Å; F94-M120 HydrophobicContact CD2-CB 3.64Å; F94-M120 HydrophobicContact CE1-CB 4.02Å; F94-M120 HydrophobicContact CE1-CE 3.61Å; F94-M120 HydrophobicContact CE1-CG 4.27Å; F94-M120 HydrophobicContact CE2-CB 3.93Å; F94-M120 HydrophobicContact CG-CB 3.54Å; F94-M120 HydrophobicContact CG-CG 4.04Å; F94-M120 HydrophobicContact CZ-CB 4.12Å; F94-M120 HydrophobicContact CZ-CE 4.13Å; F94-M121 WeakPolarHBondContact CE2-O 3.47Å; F94-L122 HydrophobicContact CD2-CD2 3.64Å; F94-L122 HydrophobicContact CD2-CG 4.33Å; F94-L122 HydrophobicContact CE2-CD2 3.89Å
95G93.2Very high95.6Very high16 Ų1660.4 Ų60.417%0.16532%0.319CS..THydrogen-bonded Turntrans82.4-7.8170.900000117.9A91 R93 R97A91-G95 PolarHBondContact O-N 3.39Å; R93-G95 PolarHBondContact O-N 2.84Å; R93-G95 VanDerWaalsContact O-N 3.17Å; G95-R97 PolarHBondContact O-N 2.96Å
96F96.4Very high95.7Very high0 Ų056.9 Ų56.90%029%0.294CS..  trans-71.3103.8176.1-166.4-92.9000111A23 F28 I67 T69 A91 K92 F94 F102 L117A23-F96 HydrophobicContact CB-CD2 3.96Å; A23-F96 HydrophobicContact CB-CE1 4.16Å; A23-F96 HydrophobicContact CB-CE2 3.57Å; A23-F96 HydrophobicContact CB-CG 4.41Å; A23-F96 HydrophobicContact CB-CZ 3.67Å; F28-F96 HydrophobicContact CB-CE2 3.73Å; F28-F96 HydrophobicContact CB-CZ 3.55Å; I67-F96 HydrophobicContact CB-CD1 4.43Å; I67-F96 HydrophobicContact CB-CE1 4.36Å; I67-F96 HydrophobicContact CB-CZ 4.44Å; I67-F96 HydrophobicContact CG2-CB 4.05Å; I67-F96 HydrophobicContact CG2-CD1 3.55Å; I67-F96 HydrophobicContact CG2-CD2 4.04Å; I67-F96 HydrophobicContact CG2-CE1 3.95Å; I67-F96 HydrophobicContact CG2-CE2 4.4Å; I67-F96 HydrophobicContact CG2-CG 3.6Å; I67-F96 HydrophobicContact CG2-CZ 4.37Å; T69-F96 HydrophobicContact CG2-CD1 4.49Å; T69-F96 HydrophobicContact CG2-CE1 3.94Å; A91-F96 HydrophobicContact CB-CB 4.11Å; A91-F96 PolarHBondContact O-N 2.81Å; K92-F96 WeakPolarHBondContact CA-O 3.22Å; F94-F96 PolarHBondContact O-N 2.87Å; F96-F102 HydrophobicContact CD2-CB 4.01Å; F96-F102 HydrophobicContact CD2-CD1 4.12Å; F96-F102 HydrophobicContact CD2-CD2 4.06Å; F96-F102 AromaticContact CD2-CG 3.79Å; F96-F102 HydrophobicContact CD2-CG 3.79Å; F96-F102 AromaticContact CE2-CD1 3.84Å; F96-F102 HydrophobicContact CE2-CD1 3.84Å; F96-F102 HydrophobicContact CE2-CD2 4.04Å; F96-F102 AromaticContact CE2-CE1 3.98Å; F96-F102 HydrophobicContact CE2-CE1 3.98Å; F96-F102 HydrophobicContact CE2-CE2 4.17Å; F96-F102 AromaticContact CE2-CG 3.88Å; F96-F102 HydrophobicContact CE2-CG 3.88Å; F96-F102 HydrophobicContact CE2-CZ 4.15Å; F96-L117 HydrophobicContact CB-CD1 4.14Å; F96-L117 HydrophobicContact CB-CD2 3.77Å; F96-L117 HydrophobicContact CD2-CD1 4.24Å
97R95.4Very high95.8Very high97 Ų9755.6 Ų55.637%0.36628%0.284SS..  trans-148.7145.5-172.8-69.5175.1-171.91638.5110.7A23 K92 G95 N99 E100A23-R97 WeakPolarHBondContact CB-O 3.24Å; K92-R97 HydrophobicContact CG-CG 4.07Å; K92-R97 PolarHBondContact O-NE 2.73Å; K92-R97 PolarHBondContact O-NH2 3.18Å; G95-R97 PolarHBondContact O-N 2.96Å; R97-N99 PolarHBondContact O-N 3.22Å; R97-E100 HydrophobicContact CB-CB 4.18Å; R97-E100 HydrophobicContact CB-CG 4.05Å; R97-E100 VanDerWaalsContact CD-CD 3.48Å; R97-E100 WeakPolarHBondContact CD-OE1 3.45Å; R97-E100 WeakPolarHBondContact CD-OE2 3.39Å; R97-E100 IonicContact NH1-OE1 3.92Å; R97-E100 PolarHBondContact NH1-OE1 3.49Å; R97-E100 IonicContact NH1-OE2 3.44Å; R97-E100 PolarHBondContact O-N 3.48Å
98A95.5Very high95.9Very high43 Ų4349.1 Ų49.136%0.35525%0.254SS..THydrogen-bonded Turntrans-57.1123.1-174.100000113G24 T69 E100G24-A98 WeakPolarHBondContact O-CA 3.3Å; G24-A98 VanDerWaalsContact O-CB 3.28Å; G24-A98 WeakPolarHBondContact O-CB 3.31Å; T69-A98 HydrophobicContact CG2-CB 4.04Å; A98-E100 VanDerWaalsContact C-N 3.3Å; A98-E100 PolarHBondContact O-N 3.14Å
99N93.4Very high95.8Very high90 Ų9050.3 Ų50.348%0.48125%0.252SS..THydrogen-bonded Turntrans70.36.9-175.4-54.6-97.4000116.8K22 A23 N25 R97K22-N99 WeakPolarHBondContact CE-O 3.38Å; A23-N99 WeakPolarHBondContact O-CA 3.45Å; A23-N99 PolarHBondContact O-N 3.46Å; N25-N99 PolarHBondContact OD1-ND2 2.75Å; R97-N99 PolarHBondContact O-N 3.22Å
100E94.8Very high95.7Very high85 Ų8549 Ų4940%0.39724%0.24SC..SBendtrans-89.2155.7166.3-64.1-179.8-145.400110A23 R97 A98A23-E100 PolarHBondContact N-O 3.1Å; R97-E100 HydrophobicContact CB-CB 4.18Å; R97-E100 HydrophobicContact CB-CG 4.05Å; R97-E100 VanDerWaalsContact CD-CD 3.48Å; R97-E100 WeakPolarHBondContact CD-OE1 3.45Å; R97-E100 WeakPolarHBondContact CD-OE2 3.39Å; R97-E100 IonicContact NH1-OE1 3.92Å; R97-E100 PolarHBondContact NH1-OE1 3.49Å; R97-E100 IonicContact NH1-OE2 3.44Å; R97-E100 PolarHBondContact O-N 3.48Å; A98-E100 VanDerWaalsContact C-N 3.3Å; A98-E100 PolarHBondContact O-N 3.14Å
101N95.5Very high95.5Very high107 Ų10754.4 Ų54.457%0.57226%0.262SS*.EExtended strand (participates in β ladder)trans-77.3151.3175.9-71.512.6000110.7G21G21-N101 CarbonylContact O-C 3.45Å; G21-N101 WeakPolarHBondContact O-CA 3.23Å
102F96.5Very high95.5Very high4 Ų458 Ų582%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-142.9151.9175.374.8-79.1000112.3G21 A23 F28 F96 C104 L117 N118 I145G21-F102 PolarHBondContact N-O 3.18Å; G21-F102 PolarHBondContact O-N 3.06Å; A23-F102 HydrophobicContact CB-CD1 3.9Å; A23-F102 HydrophobicContact CB-CE1 4.29Å; F28-F102 HydrophobicContact CB-CZ 4.29Å; F28-F102 AromaticContact CD1-CE2 3.94Å; F28-F102 HydrophobicContact CD1-CE2 3.94Å; F28-F102 HydrophobicContact CD1-CZ 4.32Å; F28-F102 HydrophobicContact CD2-CE2 4.06Å; F28-F102 AromaticContact CD2-CZ 3.68Å; F28-F102 HydrophobicContact CD2-CZ 3.68Å; F28-F102 HydrophobicContact CE1-CE2 4.06Å; F28-F102 HydrophobicContact CE2-CE2 4.17Å; F28-F102 HydrophobicContact CE2-CZ 4.04Å; F28-F102 AromaticContact CG-CE2 3.94Å; F28-F102 HydrophobicContact CG-CE2 3.94Å; F28-F102 AromaticContact CG-CZ 3.84Å; F28-F102 HydrophobicContact CG-CZ 3.84Å; F28-F102 HydrophobicContact CZ-CE2 4.17Å; F28-F102 HydrophobicContact CZ-CZ 4.5Å; F96-F102 HydrophobicContact CD2-CB 4.01Å; F96-F102 HydrophobicContact CD2-CD1 4.12Å; F96-F102 HydrophobicContact CD2-CD2 4.06Å; F96-F102 AromaticContact CD2-CG 3.79Å; F96-F102 HydrophobicContact CD2-CG 3.79Å; F96-F102 AromaticContact CE2-CD1 3.84Å; F96-F102 HydrophobicContact CE2-CD1 3.84Å; F96-F102 HydrophobicContact CE2-CD2 4.04Å; F96-F102 AromaticContact CE2-CE1 3.98Å; F96-F102 HydrophobicContact CE2-CE1 3.98Å; F96-F102 HydrophobicContact CE2-CE2 4.17Å; F96-F102 AromaticContact CE2-CG 3.88Å; F96-F102 HydrophobicContact CE2-CG 3.88Å; F96-F102 HydrophobicContact CE2-CZ 4.15Å; F102-C104 HydrophobicContact CD2-CB 4.21Å; F102-C104 HydrophobicContact CE2-CB 4.16Å; F102-L117 HydrophobicContact CB-CD1 4.17Å; F102-L117 HydrophobicContact CD2-CD1 4.36Å; F102-N118 VanDerWaalsContact CA-OD1 3.32Å; F102-N118 WeakPolarHBondContact CA-OD1 3.5Å; F102-I145 HydrophobicContact CZ-CD1 4.22Å
103V96.5Very high95.6Very high32 Ų3253 Ų5319%0.19426%0.255CS..EExtended strand (participates in β ladder)trans-116.1124.9168.4-168.60000107.4E18 N20 L117 N118E18-V103 VanDerWaalsContact CD-CG1 3.45Å; E18-V103 HydrophobicContact CG-CG1 3.47Å; E18-V103 VanDerWaalsContact CG-CG1 3.47Å; N20-V103 WeakPolarHBondContact OD1-CG2 3.39Å; V103-L117 CarbonylContact O-C 3.55Å; V103-L117 WeakPolarHBondContact O-CA 3.43Å; V103-N118 PolarHBondContact N-OD1 3.43Å; V103-N118 PolarHBondContact O-N 2.8Å
104C97.5Very high95.7Very high1 Ų143.4 Ų43.41%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-115.6114.2171.9-179.60000108.6E18 V19 F28 F102 Y116E18-C104 WeakPolarHBondContact CA-O 3.42Å; V19-C104 PolarHBondContact N-O 3.07Å; V19-C104 PolarHBondContact O-N 3.32Å; F28-C104 HydrophobicContact CE1-CB 3.98Å; F28-C104 HydrophobicContact CZ-CB 4.47Å; F102-C104 HydrophobicContact CD2-CB 4.21Å; F102-C104 HydrophobicContact CE2-CB 4.16Å; C104-Y116 WeakPolarHBondContact CA-O 3.36Å
105R97.4Very high95.8Very high33 Ų3341.4 Ų41.413%0.12521%0.211CC..EExtended strand (participates in β ladder)trans-113128.1-177.2-163.2-175.4-64132.118.9110.3C16 I17 E18 V107 V115 Y116 D119C16-R105 VanDerWaalsContact SG-CD 3.59Å; C16-R105 WeakPolarHBondContact SG-CG 3.19Å; I17-R105 CarbonylContact O-C 3.53Å; I17-R105 WeakPolarHBondContact O-CA 3.31Å; E18-R105 HydrophobicContact CB-CG 4.25Å; E18-R105 HydrophobicContact CG-CB 4.31Å; E18-R105 HydrophobicContact CG-CG 4.32Å; E18-R105 IonicContact OE2-CZ 2.95Å; E18-R105 IonicContact OE2-NE 3.13Å; E18-R105 PolarHBondContact OE2-NE 2.94Å; E18-R105 IonicContact OE2-NH2 3.53Å; E18-R105 PolarHBondContact OE2-NH2 3.25Å; R105-V107 HydrophobicContact CG-CG2 4.13Å; R105-V115 WeakPolarHBondContact O-CA 3.36Å; R105-Y116 PolarHBondContact N-O 3.47Å; R105-Y116 PolarHBondContact O-N 3.23Å; R105-D119 IonicContact CZ-OD1 3.51Å; R105-D119 IonicContact NH1-OD1 2.9Å; R105-D119 PolarHBondContact NH1-OD1 2.77Å; R105-D119 VanDerWaalsContact NH1-OD1 3.12Å; R105-D119 IonicContact NH2-OD1 2.73Å; R105-D119 PolarHBondContact NH2-OD1 2.82Å
106V97.8Very high96Very high3 Ų344 Ų442%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-113.7107.2173.9-1750000107.6C16 I17 L63 I65 Y113 V114C16-V106 CarbonylContact C-O 3.57Å; C16-V106 VanDerWaalsContact CA-O 3.31Å; C16-V106 WeakPolarHBondContact CA-O 3.13Å; I17-V106 PolarHBondContact N-O 2.68Å; I17-V106 PolarHBondContact O-N 3.23Å; L63-V106 HydrophobicContact CD2-CG1 3.91Å; I65-V106 HydrophobicContact CD1-CG2 3.44Å; I65-V106 VanDerWaalsContact CD1-CG2 3.44Å; V106-Y113 HydrophobicContact CG1-CD1 4.26Å; V106-V114 WeakPolarHBondContact CA-O 3.49Å
107V97.5Very high96.1Very high9 Ų944 Ų446%0.05522%0.216CC..EExtended strand (participates in β ladder)trans-96.5134178.2-178.20000109.1C16 R105 K109 Y113 V114 Y116 L153C16-V107 HydrophobicContact CB-CG2 4.49Å; R105-V107 HydrophobicContact CG-CG2 4.13Å; V107-K109 HydrophobicContact CG1-CD 4.47Å; V107-Y113 CarbonylContact O-C 3.51Å; V107-Y113 WeakPolarHBondContact O-CA 3.26Å; V107-V114 PolarHBondContact N-O 3.15Å; V107-V114 PolarHBondContact O-N 3.13Å; V107-Y116 HydrophobicContact CG2-CD2 4.27Å; V107-Y116 HydrophobicContact CG2-CE2 3.98Å; V107-L153 HydrophobicContact CG1-CD2 4.15Å; V107-L153 HydrophobicContact CG2-CD1 4.31Å
108I96.8Very high96.1Very high1 Ų141.6 Ų41.61%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-101.697.7-175-52.3175.4000108.5L11 Y13 G14 D15 Y113 H127 V131L11-I108 HydrophobicContact CB-CD1 3.8Å; L11-I108 HydrophobicContact CD1-CD1 3.74Å; L11-I108 HydrophobicContact CD2-CD1 4.32Å; L11-I108 HydrophobicContact CG-CD1 4.15Å; Y13-I108 HydrophobicContact CD1-CG2 4.33Å; G14-I108 PolarHBondContact N-O 2.71Å; D15-I108 HydrophobicContact CB-CD1 4.14Å; D15-I108 VanDerWaalsContact O-CB 3.3Å; D15-I108 WeakPolarHBondContact O-CB 3.32Å; D15-I108 WeakPolarHBondContact O-CG1 3.48Å; D15-I108 PolarHBondContact O-N 3.18Å; I108-Y113 HydrophobicContact CG1-CD1 4.33Å; I108-H127 VanDerWaalsContact CG2-CE1 3.41Å; I108-H127 WeakPolarHBondContact CG2-CE1 3.46Å; I108-V131 HydrophobicContact CD1-CG1 4.46Å; I108-V131 HydrophobicContact CG2-CB 4.42Å; I108-V131 HydrophobicContact CG2-CG1 3.68Å; I108-V131 HydrophobicContact CG2-CG2 3.8Å
109K96.1Very high96.1Very high52 Ų5244.4 Ų44.423%0.22622%0.22CC..  trans-83176.5172.3-66.9-57.1-150.9142.70110.9Y13 V107 Y112 V114 H127 E196Y13-K109 VanDerWaalsContact CD1-O 3.29Å; Y13-K109 WeakPolarHBondContact CD1-O 3.07Å; V107-K109 HydrophobicContact CG1-CD 4.47Å; K109-Y112 WeakPolarHBondContact CA-O 3.38Å; K109-Y112 HydrophobicContact CB-CD2 4.28Å; K109-Y112 HydrophobicContact CB-CE2 4.16Å; K109-Y112 WeakPolarHBondContact CB-O 3.44Å; K109-Y112 HydrophobicContact CG-CE2 4.17Å; K109-Y112 PolarHBondContact N-O 3.23Å; K109-V114 HydrophobicContact CG-CG2 4.21Å; K109-H127 CovalentContact O-NE2 1.8Å; K109-H127 PolarHBondContact O-NE2 2.85Å; K109-E196 VanDerWaalsContact CD-OE1 3.31Å; K109-E196 WeakPolarHBondContact CD-OE1 3.38Å; K109-E196 WeakPolarHBondContact CE-OE1 3.41Å; K109-E196 IonicContact NZ-OE1 3.3Å; K109-E196 PolarHBondContact NZ-OE1 2.81Å
110T93.2Very high96.2Very high70 Ų7044.7 Ų44.743%0.42922%0.219SC..SBendtrans-60.1-43-178.746.60000113.2Y13 E196Y13-T110 WeakPolarHBondContact CE1-O 3.44Å; T110-E196 PolarHBondContact OG1-OE2 2.77Å
111E91.3Very high96.3Very high140 Ų14045.8 Ų45.865%0.65423%0.226SC*.SBendtrans-107.3-21.1-176.1-63-172.7153.800114.3H127E111-H127 PolarHBondContact O-CD2 3.15Å; E111-H127 PolarHBondContact O-N 2.6Å
112Y95Very high96.3Very high75 Ų7541.4 Ų41.429%0.29420%0.202SC..EExtended strand (participates in β ladder)trans-153.6158.4-172.651.2-96.1000114.3K109 V114 N124 S125 H127K109-Y112 WeakPolarHBondContact CA-O 3.38Å; K109-Y112 HydrophobicContact CB-CD2 4.28Å; K109-Y112 HydrophobicContact CB-CE2 4.16Å; K109-Y112 WeakPolarHBondContact CB-O 3.44Å; K109-Y112 HydrophobicContact CG-CE2 4.17Å; K109-Y112 PolarHBondContact N-O 3.23Å; Y112-V114 HydrophobicContact CD2-CG2 3.61Å; Y112-V114 HydrophobicContact CE2-CG2 3.44Å; Y112-V114 VanDerWaalsContact CE2-CG2 3.44Å; Y112-N124 HydrophobicContact CD2-CB 3.92Å; Y112-N124 HydrophobicContact CE2-CB 4.48Å; Y112-N124 HydrophobicContact CG-CB 4.45Å; Y112-S125 CarbonylContact C-O 3.49Å; Y112-S125 VanDerWaalsContact CA-O 3.27Å; Y112-S125 WeakPolarHBondContact CA-O 3.48Å; Y112-S125 WeakPolarHBondContact CB-O 3.34Å; Y112-H127 PolarHBondContact N-CD2 3.25Å; Y112-H127 PolarHBondContact N-NE2 3.32Å; Y112-H127 PolarHBondContact O-CE1 2.81Å; Y112-H127 PolarHBondContact O-NE2 3.45Å
113Y97.1Very high96.2Very high0 Ų042 Ų420%021%0.207CC..EExtended strand (participates in β ladder)trans-77.6144.4162-47.2-83.7000110.3L32 P62 L63 V106 V107 I108 N124 S125 H127 I134L32-Y113 HydrophobicContact CD1-CD1 4.43Å; L32-Y113 HydrophobicContact CD1-CE1 3.87Å; P62-Y113 VanDerWaalsContact O-CE2 3.25Å; P62-Y113 WeakPolarHBondContact O-CE2 3.39Å; P62-Y113 PolarHBondContact O-OH 2.91Å; L63-Y113 HydrophobicContact CB-CD2 4.33Å; L63-Y113 HydrophobicContact CB-CE2 4.1Å; L63-Y113 HydrophobicContact CD1-CD2 3.92Å; L63-Y113 HydrophobicContact CD1-CE2 4.36Å; L63-Y113 HydrophobicContact CD1-CG 4.47Å; L63-Y113 HydrophobicContact CD2-CD1 4.17Å; L63-Y113 HydrophobicContact CD2-CD2 4.05Å; L63-Y113 HydrophobicContact CD2-CG 3.82Å; L63-Y113 HydrophobicContact CG-CD2 4.33Å; V106-Y113 HydrophobicContact CG1-CD1 4.26Å; V107-Y113 CarbonylContact O-C 3.51Å; V107-Y113 WeakPolarHBondContact O-CA 3.26Å; I108-Y113 HydrophobicContact CG1-CD1 4.33Å; Y113-N124 CarbonylContact O-C 3.57Å; Y113-N124 WeakPolarHBondContact O-CA 3.33Å; Y113-N124 VanDerWaalsContact O-CB 3.32Å; Y113-N124 WeakPolarHBondContact O-CB 3.44Å; Y113-S125 WeakPolarHBondContact CD2-O 3.46Å; Y113-S125 PolarHBondContact N-O 2.87Å; Y113-S125 PolarHBondContact O-N 3.32Å; Y113-H127 VanDerWaalsContact CA-CE1 3.48Å; Y113-H127 WeakPolarHBondContact CA-CE1 3.23Å; Y113-H127 AromaticContact CD1-CE1 2.77Å; Y113-H127 WeakPolarHBondContact CD1-CE1 3.29Å; Y113-H127 AromaticContact CD1-ND1 3.92Å; Y113-H127 AromaticContact CD2-CE1 3.59Å; Y113-H127 AromaticContact CD2-ND1 3.56Å; Y113-H127 AromaticContact CE1-CE1 3.05Å; Y113-H127 WeakPolarHBondContact CE1-CE1 3.44Å; Y113-H127 AromaticContact CE1-ND1 3.64Å; Y113-H127 AromaticContact CE2-CE1 3.82Å; Y113-H127 AromaticContact CE2-ND1 3.26Å; Y113-H127 VanDerWaalsContact CE2-ND1 3.26Å; Y113-H127 WeakPolarHBondContact CE2-ND1 3.4Å; Y113-H127 AromaticContact CG-CE1 3.07Å; Y113-H127 AromaticContact CG-ND1 3.88Å; Y113-H127 AromaticContact CZ-CE1 3.57Å; Y113-H127 AromaticContact CZ-ND1 3.3Å; Y113-H127 VanDerWaalsContact CZ-ND1 3.3Å; Y113-H127 PolarHBondContact N-CE1 3.47Å; Y113-I134 HydrophobicContact CE1-CD1 4.08Å; Y113-I134 VanDerWaalsContact OH-CD1 3.3Å; Y113-I134 WeakPolarHBondContact OH-CD1 2.46Å
114V97.3Very high96.2Very high11 Ų1144.3 Ų44.37%0.06722%0.218CC..EExtended strand (participates in β ladder)trans-116.2126.8165.9-169.40000109.4V106 V107 K109 Y112 Y116 M121V106-V114 WeakPolarHBondContact CA-O 3.49Å; V107-V114 PolarHBondContact N-O 3.15Å; V107-V114 PolarHBondContact O-N 3.13Å; K109-V114 HydrophobicContact CG-CG2 4.21Å; Y112-V114 HydrophobicContact CD2-CG2 3.61Å; Y112-V114 HydrophobicContact CE2-CG2 3.44Å; Y112-V114 VanDerWaalsContact CE2-CG2 3.44Å; V114-Y116 HydrophobicContact CB-CE2 3.88Å; V114-Y116 HydrophobicContact CG1-CD2 4.05Å; V114-Y116 HydrophobicContact CG1-CE1 4.46Å; V114-Y116 HydrophobicContact CG1-CE2 3.37Å; V114-M121 HydrophobicContact CG1-CG 3.86Å; V114-M121 HydrophobicContact CG1-SD 3.75Å
115V97.7Very high96.1Very high0 Ų044.6 Ų44.60%022%0.22CC..EExtended strand (participates in β ladder)trans-108.5121.7-177.5-175.10000110L63 I65 I75 R105 L122 S123L63-V115 HydrophobicContact CD2-CG2 4.34Å; I65-V115 HydrophobicContact CD1-CB 4.38Å; I65-V115 HydrophobicContact CD1-CG1 3.71Å; I65-V115 HydrophobicContact CD1-CG2 3.68Å; I65-V115 HydrophobicContact CG1-CG1 4.26Å; I65-V115 HydrophobicContact CG1-CG2 4.14Å; I65-V115 HydrophobicContact CG2-CG1 4.31Å; I75-V115 HydrophobicContact CD1-CB 3.84Å; I75-V115 HydrophobicContact CD1-CG1 3.95Å; I75-V115 HydrophobicContact CD1-CG2 4.01Å; R105-V115 WeakPolarHBondContact O-CA 3.36Å; V115-L122 HydrophobicContact CG1-CB 4.49Å; V115-L122 HydrophobicContact CG1-CD1 4.16Å; V115-L122 PolarHBondContact O-N 2.86Å; V115-S123 PolarHBondContact N-O 3.03Å
116Y97.7Very high95.9Very high71 Ų7149 Ų4928%0.27824%0.242SC..EExtended strand (participates in β ladder)trans-113.8147.6175.2-59-98.4000111.1C104 R105 V107 V114 M120 M121C104-Y116 WeakPolarHBondContact CA-O 3.36Å; R105-Y116 PolarHBondContact N-O 3.47Å; R105-Y116 PolarHBondContact O-N 3.23Å; V107-Y116 HydrophobicContact CG2-CD2 4.27Å; V107-Y116 HydrophobicContact CG2-CE2 3.98Å; V114-Y116 HydrophobicContact CB-CE2 3.88Å; V114-Y116 HydrophobicContact CG1-CD2 4.05Å; V114-Y116 HydrophobicContact CG1-CE1 4.46Å; V114-Y116 HydrophobicContact CG1-CE2 3.37Å; Y116-M120 CarbonylContact C-O 3.6Å; Y116-M120 WeakPolarHBondContact CA-O 3.47Å; Y116-M121 HydrophobicContact CD1-CB 3.95Å; Y116-M121 HydrophobicContact CE1-CB 3.91Å; Y116-M121 HydrophobicContact CE1-CG 4.43Å
117L97.7Very high95.7Very high0 Ų050.6 Ų50.60%025%0.249CC..EExtended strand (participates in β ladder)trans-129.4115.3171.9168.565.5000108.2I67 A91 F94 F96 F102 V103 D119 M120 L122I67-L117 HydrophobicContact CD1-CD1 4.41Å; I67-L117 HydrophobicContact CD1-CD2 4.49Å; I67-L117 HydrophobicContact CG2-CD2 4.45Å; A91-L117 HydrophobicContact CB-CD2 3.69Å; F94-L117 HydrophobicContact CB-CD2 3.87Å; F94-L117 HydrophobicContact CB-CG 4.09Å; F96-L117 HydrophobicContact CB-CD1 4.14Å; F96-L117 HydrophobicContact CB-CD2 3.77Å; F96-L117 HydrophobicContact CD2-CD1 4.24Å; F102-L117 HydrophobicContact CB-CD1 4.17Å; F102-L117 HydrophobicContact CD2-CD1 4.36Å; V103-L117 CarbonylContact O-C 3.55Å; V103-L117 WeakPolarHBondContact O-CA 3.43Å; L117-D119 VanDerWaalsContact C-N 3.32Å; L117-D119 PolarHBondContact O-N 3.44Å; L117-M120 PolarHBondContact N-O 3.24Å; L117-M120 WeakPolarHBondContact O-CB 3.32Å; L117-M120 PolarHBondContact O-N 2.88Å; L117-M120 VanDerWaalsContact O-N 3.1Å; L117-L122 HydrophobicContact CB-CD1 3.69Å; L117-L122 HydrophobicContact CB-CD2 4.38Å; L117-L122 HydrophobicContact CB-CG 3.86Å; L117-L122 HydrophobicContact CD2-CD1 4.24Å; L117-L122 HydrophobicContact CD2-CD2 4.23Å
118N96.5Very high95.5Very high46 Ų4651.5 Ų51.525%0.24625%0.254CS..THydrogen-bonded Turntrans48.754-173.1-61.6-40.1000111.6F94 F102 V103 M120F94-N118 PolarHBondContact O-ND2 3.26Å; F102-N118 VanDerWaalsContact CA-OD1 3.32Å; F102-N118 WeakPolarHBondContact CA-OD1 3.5Å; V103-N118 PolarHBondContact N-OD1 3.43Å; V103-N118 PolarHBondContact O-N 2.8Å; N118-M120 PolarHBondContact O-N 2.88Å
119D94.4Very high95.2Very high102 Ų10251.5 Ų51.555%0.54525%0.254SS..THydrogen-bonded Turntrans58.11.8-176.9-50.8-65.9000116R105 L117R105-D119 IonicContact CZ-OD1 3.51Å; R105-D119 IonicContact NH1-OD1 2.9Å; R105-D119 PolarHBondContact NH1-OD1 2.77Å; R105-D119 VanDerWaalsContact NH1-OD1 3.12Å; R105-D119 IonicContact NH2-OD1 2.73Å; R105-D119 PolarHBondContact NH2-OD1 2.82Å; L117-D119 VanDerWaalsContact C-N 3.32Å; L117-D119 PolarHBondContact O-N 3.44Å
120M96.8Very high95Very high97 Ų9751.5 Ų51.548%0.47826%0.259SS..EExtended strand (participates in β ladder)trans-91.5123.3171.5-63.2-65.9-60.700110.6F94 Y116 L117 N118 L122F94-M120 HydrophobicContact CB-CB 4.06Å; F94-M120 HydrophobicContact CB-CG 4.37Å; F94-M120 HydrophobicContact CD1-CB 3.72Å; F94-M120 HydrophobicContact CD1-CE 4.09Å; F94-M120 HydrophobicContact CD1-CG 3.84Å; F94-M120 HydrophobicContact CD2-CB 3.64Å; F94-M120 HydrophobicContact CE1-CB 4.02Å; F94-M120 HydrophobicContact CE1-CE 3.61Å; F94-M120 HydrophobicContact CE1-CG 4.27Å; F94-M120 HydrophobicContact CE2-CB 3.93Å; F94-M120 HydrophobicContact CG-CB 3.54Å; F94-M120 HydrophobicContact CG-CG 4.04Å; F94-M120 HydrophobicContact CZ-CB 4.12Å; F94-M120 HydrophobicContact CZ-CE 4.13Å; Y116-M120 CarbonylContact C-O 3.6Å; Y116-M120 WeakPolarHBondContact CA-O 3.47Å; L117-M120 PolarHBondContact N-O 3.24Å; L117-M120 WeakPolarHBondContact O-CB 3.32Å; L117-M120 PolarHBondContact O-N 2.88Å; L117-M120 VanDerWaalsContact O-N 3.1Å; N118-M120 PolarHBondContact O-N 2.88Å; M120-L122 PolarHBondContact O-N 3.27Å
121M95.9Very high94.9Very high108 Ų10848.3 Ų48.353%0.53224%0.239SC..EExtended strand (participates in β ladder)trans-63.3125.2177.2-170.717972.100111.2F94 V114 Y116F94-M121 WeakPolarHBondContact CE2-O 3.47Å; V114-M121 HydrophobicContact CG1-CG 3.86Å; V114-M121 HydrophobicContact CG1-SD 3.75Å; Y116-M121 HydrophobicContact CD1-CB 3.95Å; Y116-M121 HydrophobicContact CE1-CB 3.91Å; Y116-M121 HydrophobicContact CE1-CG 4.43Å
122L94.6Very high94.9Very high14 Ų1444.2 Ų44.27%0.07324%0.235CC..EExtended strand (participates in β ladder)trans-83.2-55.3170.9-75.3172.8000110.8I67 W73 I75 F94 V115 L117 M120I67-L122 HydrophobicContact CD1-CD1 4Å; W73-L122 HydrophobicContact CD2-CD2 4.09Å; W73-L122 HydrophobicContact CG-CD2 4Å; W73-L122 WeakPolarHBondContact CH2-O 3.44Å; W73-L122 HydrophobicContact CZ2-CD2 4.45Å; W73-L122 WeakPolarHBondContact CZ2-O 3.23Å; I75-L122 HydrophobicContact CD1-CB 4.09Å; F94-L122 HydrophobicContact CD2-CD2 3.64Å; F94-L122 HydrophobicContact CD2-CG 4.33Å; F94-L122 HydrophobicContact CE2-CD2 3.89Å; V115-L122 HydrophobicContact CG1-CB 4.49Å; V115-L122 HydrophobicContact CG1-CD1 4.16Å; V115-L122 PolarHBondContact O-N 2.86Å; L117-L122 HydrophobicContact CB-CD1 3.69Å; L117-L122 HydrophobicContact CB-CD2 4.38Å; L117-L122 HydrophobicContact CB-CG 3.86Å; L117-L122 HydrophobicContact CD2-CD1 4.24Å; L117-L122 HydrophobicContact CD2-CD2 4.23Å; M120-L122 PolarHBondContact O-N 3.27Å
123S96.3Very high94.8Very high17 Ų1741.7 Ų41.712%0.11923%0.228CC..EExtended strand (participates in β ladder)trans-167.2172.8-178.6-149.30000111.4S86 V115S86-S123 VanDerWaalsContact CB-OG 3.23Å; S86-S123 WeakPolarHBondContact CB-OG 3.47Å; S86-S123 PolarHBondContact OG-OG 3.17Å; V115-S123 PolarHBondContact N-O 3.03Å
124N94.7Very high94.6Very high80 Ų8041.8 Ų41.843%0.42823%0.229SC..EExtended strand (participates in β ladder)trans-111164.3161.358.9-14.7000110.8Y112 Y113Y112-N124 HydrophobicContact CD2-CB 3.92Å; Y112-N124 HydrophobicContact CE2-CB 4.48Å; Y112-N124 HydrophobicContact CG-CB 4.45Å; Y113-N124 CarbonylContact O-C 3.57Å; Y113-N124 WeakPolarHBondContact O-CA 3.33Å; Y113-N124 VanDerWaalsContact O-CB 3.32Å; Y113-N124 WeakPolarHBondContact O-CB 3.44Å
125S95.6Very high94.3Very high7 Ų742.6 Ų42.65%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-147.5133.8171.61790000110.1T84 Y112 Y113T84-S125 PolarHBondContact OG1-OG 3.22Å; Y112-S125 CarbonylContact C-O 3.49Å; Y112-S125 VanDerWaalsContact CA-O 3.27Å; Y112-S125 WeakPolarHBondContact CA-O 3.48Å; Y112-S125 WeakPolarHBondContact CB-O 3.34Å; Y113-S125 WeakPolarHBondContact CD2-O 3.46Å; Y113-S125 PolarHBondContact N-O 2.87Å; Y113-S125 PolarHBondContact O-N 3.32Å
126E93.9Very high94.1Very high125 Ų12542.7 Ų42.758%0.58423%0.234SC*.EExtended strand (participates in β ladder)trans-62.7152.3178.1-62.2175.7179.500112.3T84 L128T84-E126 HydrophobicContact CG2-CB 4.35Å; E126-L128 HydrophobicContact CB-CD2 4.12Å; E126-L128 PolarHBondContact O-N 2.69Å
127H93.3Very high94Very high37 Ų3739.5 Ų39.517%0.17122%0.221CC..  trans-77.784.9177-67.3-38000111.9Y13 I108 K109 E111 Y112 Y113 V129Y13-H127 AromaticContact CD1-NE2 3.85Å; Y13-H127 AromaticContact CE1-NE2 3.81Å; I108-H127 VanDerWaalsContact CG2-CE1 3.41Å; I108-H127 WeakPolarHBondContact CG2-CE1 3.46Å; K109-H127 CovalentContact O-NE2 1.8Å; K109-H127 PolarHBondContact O-NE2 2.85Å; E111-H127 PolarHBondContact O-CD2 3.15Å; E111-H127 PolarHBondContact O-N 2.6Å; Y112-H127 PolarHBondContact N-CD2 3.25Å; Y112-H127 PolarHBondContact N-NE2 3.32Å; Y112-H127 PolarHBondContact O-CE1 2.81Å; Y112-H127 PolarHBondContact O-NE2 3.45Å; Y113-H127 VanDerWaalsContact CA-CE1 3.48Å; Y113-H127 WeakPolarHBondContact CA-CE1 3.23Å; Y113-H127 AromaticContact CD1-CE1 2.77Å; Y113-H127 WeakPolarHBondContact CD1-CE1 3.29Å; Y113-H127 AromaticContact CD1-ND1 3.92Å; Y113-H127 AromaticContact CD2-CE1 3.59Å; Y113-H127 AromaticContact CD2-ND1 3.56Å; Y113-H127 AromaticContact CE1-CE1 3.05Å; Y113-H127 WeakPolarHBondContact CE1-CE1 3.44Å; Y113-H127 AromaticContact CE1-ND1 3.64Å; Y113-H127 AromaticContact CE2-CE1 3.82Å; Y113-H127 AromaticContact CE2-ND1 3.26Å; Y113-H127 VanDerWaalsContact CE2-ND1 3.26Å; Y113-H127 WeakPolarHBondContact CE2-ND1 3.4Å; Y113-H127 AromaticContact CG-CE1 3.07Å; Y113-H127 AromaticContact CG-ND1 3.88Å; Y113-H127 AromaticContact CZ-CE1 3.57Å; Y113-H127 AromaticContact CZ-ND1 3.3Å; Y113-H127 VanDerWaalsContact CZ-ND1 3.3Å; Y113-H127 PolarHBondContact N-CE1 3.47Å; H127-V129 PolarHBondContact O-N 3.3Å
128L92.5Very high93.8Very high28 Ų2839.5 Ų39.515%0.14722%0.221CC..SBendtrans-76.6-5176.1-49.6-169.4000113.9A77 T84 E126A77-L128 HydrophobicContact CB-CD1 3.98Å; A77-L128 HydrophobicContact CB-CG 4.17Å; A77-L128 WeakPolarHBondContact O-CD1 3.42Å; T84-L128 HydrophobicContact CG2-CD1 4.16Å; T84-L128 HydrophobicContact CG2-CD2 4.28Å; T84-L128 HydrophobicContact CG2-CG 4.46Å; E126-L128 HydrophobicContact CB-CD2 4.12Å; E126-L128 PolarHBondContact O-N 2.69Å
129V91.3Very high93.7Very high2 Ų238 Ų381%0.01221%0.213CC..SBendtrans-138.1139.4177.1178.50000107.3Y36 T60 P62 H127 V131Y36-V129 HydrophobicContact CD1-CB 4.49Å; Y36-V129 HydrophobicContact CD1-CG1 3.78Å; Y36-V129 HydrophobicContact CD1-CG2 4.37Å; Y36-V129 HydrophobicContact CG-CG1 3.95Å; T60-V129 HydrophobicContact CG2-CG2 4.33Å; T60-V129 WeakPolarHBondContact OG1-CG2 3.34Å; P62-V129 HydrophobicContact CB-CB 4.02Å; P62-V129 HydrophobicContact CB-CG1 4.39Å; P62-V129 HydrophobicContact CB-CG2 4.26Å; P62-V129 HydrophobicContact CG-CB 4.11Å; P62-V129 HydrophobicContact CG-CG1 4.04Å; P62-V129 HydrophobicContact CG-CG2 4.15Å; H127-V129 PolarHBondContact O-N 3.3Å; V129-V131 PolarHBondContact O-N 3.32Å
130P91.2Very high93.8Very high51 Ų5135.3 Ų35.333%0.33120%0.199SC..  trans-57.5129.3178-25.335.3000112.3Y36 G132 S133Y36-P130 HydrophobicContact CD2-CG 4.44Å; Y36-P130 HydrophobicContact CE2-CG 4.31Å; P130-G132 VanDerWaalsContact C-N 3.25Å; P130-G132 PolarHBondContact O-N 2.99Å; P130-S133 PolarHBondContact O-N 3.22Å; P130-S133 PolarHBondContact O-OG 3.2Å
131V93Very high93.6Very high3 Ų331.5 Ų31.52%0.01818%0.184CC..G310 helixtrans-55-42.2-178.6173.40000112L11 Y13 I108 V129 S133 I134L11-V131 HydrophobicContact CB-CG1 3.92Å; Y13-V131 HydrophobicContact CD1-CG2 4.18Å; Y13-V131 HydrophobicContact CE1-CB 4.03Å; Y13-V131 HydrophobicContact CE1-CG2 3.6Å; I108-V131 HydrophobicContact CD1-CG1 4.46Å; I108-V131 HydrophobicContact CG2-CB 4.42Å; I108-V131 HydrophobicContact CG2-CG1 3.68Å; I108-V131 HydrophobicContact CG2-CG2 3.8Å; V129-V131 PolarHBondContact O-N 3.32Å; V131-S133 PolarHBondContact O-N 3.08Å; V131-S133 VanDerWaalsContact O-N 3.13Å; V131-I134 WeakPolarHBondContact O-CB 3.31Å; V131-I134 WeakPolarHBondContact O-CG1 3.46Å; V131-I134 PolarHBondContact O-N 3.13Å
132G91Very high93.5Very high54 Ų5429 Ų2956%0.55717%0.173SC*.G310 helixtrans-68.4-6-179.800000115.9P130P130-G132 VanDerWaalsContact C-N 3.25Å; P130-G132 PolarHBondContact O-N 2.99Å
133S91.9Very high93.5Very high23 Ų2329.2 Ų29.216%0.16118%0.175CC..G310 helixtrans-97.1-3.4170.360.80000113.4S34 D35 Y36 P130 V131 N135S34-S133 VanDerWaalsContact CA-O 3.32Å; S34-S133 WeakPolarHBondContact CA-O 3.27Å; S34-S133 WeakPolarHBondContact CB-O 3.32Å; S34-S133 WeakPolarHBondContact OG-CB 3.4Å; S34-S133 PolarHBondContact OG-O 3.49Å; S34-S133 PolarHBondContact OG-OG 3.33Å; S34-S133 VanDerWaalsContact OG-OG 3.05Å; D35-S133 PolarHBondContact N-O 3.42Å; Y36-S133 WeakPolarHBondContact CB-OG 3.31Å; P130-S133 PolarHBondContact O-N 3.22Å; P130-S133 PolarHBondContact O-OG 3.2Å; V131-S133 PolarHBondContact O-N 3.08Å; V131-S133 VanDerWaalsContact O-N 3.13Å; S133-N135 PolarHBondContact O-N 3.45Å
134I93.8Very high93.3Very high1 Ų133.9 Ų33.91%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-72.7117.5174.2-54.9169.6000107.9L11 L32 I33 P62 Y113 V131L11-I134 HydrophobicContact CD1-CB 3.97Å; L11-I134 HydrophobicContact CD1-CD1 4.23Å; L11-I134 HydrophobicContact CD1-CG2 3.58Å; L11-I134 HydrophobicContact CG-CG2 4.46Å; L32-I134 HydrophobicContact CB-CG2 4.23Å; L32-I134 HydrophobicContact CD1-CD1 4.26Å; I33-I134 CarbonylContact O-C 3.57Å; I33-I134 WeakPolarHBondContact O-CA 3.4Å; I33-I134 VanDerWaalsContact O-CG2 3.3Å; I33-I134 WeakPolarHBondContact O-CG2 3.3Å; P62-I134 HydrophobicContact CB-CD1 4.16Å; P62-I134 HydrophobicContact CB-CG1 4.08Å; P62-I134 HydrophobicContact CG-CG1 4.27Å; Y113-I134 HydrophobicContact CE1-CD1 4.08Å; Y113-I134 VanDerWaalsContact OH-CD1 3.3Å; Y113-I134 WeakPolarHBondContact OH-CD1 2.46Å; V131-I134 WeakPolarHBondContact O-CB 3.31Å; V131-I134 WeakPolarHBondContact O-CG1 3.46Å; V131-I134 PolarHBondContact O-N 3.13Å
135N90.7Very high93.2Very high29 Ų2931.8 Ų31.816%0.15519%0.188CC..EExtended strand (participates in β ladder)trans-112.5-5.8-17168.5-3.5000112.9V6 L7 I33 D35 S133V6-N135 CarbonylContact C-O 3.55Å; V6-N135 WeakPolarHBondContact CA-O 3.29Å; V6-N135 WeakPolarHBondContact CG1-O 3.31Å; L7-N135 PolarHBondContact N-O 3.18Å; I33-N135 VanDerWaalsContact C-OD1 3.3Å; I33-N135 WeakPolarHBondContact CG2-OD1 3.34Å; I33-N135 PolarHBondContact O-N 3.41Å; I33-N135 PolarHBondContact O-OD1 3.48Å; D35-N135 PolarHBondContact OD1-ND2 2.74Å; D35-N135 PolarHBondContact OD2-ND2 3.04Å; S133-N135 PolarHBondContact O-N 3.45Å
136G93.4Very high92.9Very high2 Ų232.9 Ų32.92%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-175.6-179.1-174.800000113.2F5 I33F5-G136 CarbonylContact O-C 3.55Å; F5-G136 WeakPolarHBondContact O-CA 3.47Å; I33-G136 PolarHBondContact N-O 3.36Å; I33-G136 PolarHBondContact O-N 2.73Å
137F94.9Very high92.8Very high3 Ų327.2 Ų27.21%0.01317%0.169CC..EExtended strand (participates in β ladder)trans-145.5161.1168.558.8-102.4000109.7F5 L7 I17 I30 D31 L32 I139 I148F5-F137 HydrophobicContact CB-CD2 4.33Å; F5-F137 HydrophobicContact CB-CE2 3.83Å; F5-F137 HydrophobicContact CB-CZ 3.96Å; F5-F137 HydrophobicContact CD1-CD1 4.44Å; F5-F137 AromaticContact CD1-CE1 3.64Å; F5-F137 HydrophobicContact CD1-CE1 3.64Å; F5-F137 HydrophobicContact CD1-CE2 4.28Å; F5-F137 AromaticContact CD1-CZ 3.53Å; F5-F137 HydrophobicContact CD1-CZ 3.53Å; F5-F137 HydrophobicContact CE1-CE1 4.37Å; F5-F137 HydrophobicContact CE1-CZ 4.4Å; F5-F137 HydrophobicContact CG-CE2 4.41Å; F5-F137 HydrophobicContact CG-CZ 4.04Å; F5-F137 PolarHBondContact N-O 3.14Å; F5-F137 PolarHBondContact O-N 2.96Å; L7-F137 HydrophobicContact CD2-CD1 4.24Å; L7-F137 HydrophobicContact CD2-CE1 3.97Å; I17-F137 HydrophobicContact CD1-CD1 4.28Å; I30-F137 HydrophobicContact CD1-CB 4.28Å; I30-F137 HydrophobicContact CD1-CD2 4.35Å; I30-F137 HydrophobicContact CD1-CG 4.36Å; I30-F137 HydrophobicContact CG1-CB 4.35Å; D31-F137 CarbonylContact O-C 3.56Å; D31-F137 WeakPolarHBondContact O-CA 3.48Å; D31-F137 WeakPolarHBondContact O-CB 3.23Å; L32-F137 HydrophobicContact CD2-CB 3.84Å; F137-I139 HydrophobicContact CD2-CG1 4.38Å; F137-I139 HydrophobicContact CE2-CD1 4.32Å; F137-I148 HydrophobicContact CE1-CG2 4.41Å; F137-I148 HydrophobicContact CE2-CD1 3.77Å; F137-I148 HydrophobicContact CE2-CG2 4.36Å; F137-I148 HydrophobicContact CZ-CD1 4.04Å; F137-I148 HydrophobicContact CZ-CG2 3.77Å
138A94.5Very high92.8Very high0 Ų025.9 Ų25.90%016%0.163CC..EExtended strand (participates in β ladder)trans-135139169.400000112K2 V3 E4 I30 D31 I33K2-A138 HydrophobicContact CD-CB 4.32Å; K2-A138 HydrophobicContact CG-CB 4.1Å; V3-A138 CarbonylContact O-C 3.54Å; V3-A138 WeakPolarHBondContact O-CA 3.44Å; V3-A138 WeakPolarHBondContact O-CB 3.45Å; E4-A138 HydrophobicContact CB-CB 4.06Å; E4-A138 HydrophobicContact CG-CB 4.16Å; I30-A138 WeakPolarHBondContact CA-O 3.3Å; D31-A138 PolarHBondContact N-O 3.08Å; D31-A138 PolarHBondContact O-N 3.13Å; I33-A138 HydrophobicContact CD1-CB 3.93Å
139I95Very high92.9Very high15 Ų1524.5 Ų24.58%0.07716%0.156CC..EExtended strand (participates in β ladder)trans-107.9133.7179.9-66.4170.9000109.1K2 V3 V19 F28 S29 I30 F137 I145 I148K2-I139 CarbonylContact C-O 3.54Å; K2-I139 VanDerWaalsContact CA-O 3.28Å; K2-I139 WeakPolarHBondContact CA-O 3.25Å; V3-I139 PolarHBondContact N-O 3.49Å; V3-I139 PolarHBondContact O-N 2.89Å; V19-I139 HydrophobicContact CG1-CD1 4Å; V19-I139 HydrophobicContact CG2-CD1 3.98Å; F28-I139 HydrophobicContact CD2-CG2 4.2Å; F28-I139 HydrophobicContact CE2-CG1 4.49Å; F28-I139 HydrophobicContact CE2-CG2 3.72Å; S29-I139 CarbonylContact O-C 3.58Å; S29-I139 VanDerWaalsContact O-CA 3.27Å; S29-I139 WeakPolarHBondContact O-CA 3.45Å; I30-I139 HydrophobicContact CB-CG1 4.26Å; I30-I139 HydrophobicContact CD1-CG1 4.28Å; I30-I139 HydrophobicContact CG1-CG1 4.18Å; F137-I139 HydrophobicContact CD2-CG1 4.38Å; F137-I139 HydrophobicContact CE2-CD1 4.32Å; I139-I145 HydrophobicContact CG2-CD1 4.27Å; I139-I145 HydrophobicContact CG2-CG1 4.18Å; I139-I148 HydrophobicContact CD1-CD1 3.52Å; I139-I148 HydrophobicContact CD1-CG1 4.34Å
140D94.6Very high93.1Very high46 Ų4624.4 Ų24.425%0.24616%0.156CC..EExtended strand (participates in β ladder)trans-134.5172.8170.9-177.748.3000111.3M1 K2 K27 S29M1-D140 WeakPolarHBondContact CA-OD1 3.03Å; M1-D140 PolarHBondContact N-OD1 2.8Å; K2-D140 HydrophobicContact CB-CB 4.1Å; K2-D140 HydrophobicContact CG-CB 4.42Å; K2-D140 PolarHBondContact N-OD1 2.85Å; K27-D140 IonicContact NZ-OD2 3.86Å; K27-D140 PolarHBondContact NZ-OD2 2.79Å; S29-D140 WeakPolarHBondContact CB-O 3.14Å; S29-D140 PolarHBondContact N-O 3.35Å; S29-D140 PolarHBondContact O-N 3.12Å
141G94.3Very high93.2Very high16 Ų1622 Ų2217%0.16514%0.14CC..EExtended strand (participates in β ladder)trans119.7-159.2-17400000111.8M1 K27M1-G141 PolarHBondContact N-O 3.09Å; K27-G141 WeakPolarHBondContact O-CA 3.4Å
142D93.7Very high93.2Very high55 Ų5522.5 Ų22.529%0.29414%0.142SC..SBendtrans-124.224.1179.670.1-42.2000112.8G24 N25 N26 K27G24-D142 WeakPolarHBondContact CA-O 3.4Å; N25-D142 WeakPolarHBondContact CA-OD2 3.3Å; N25-D142 PolarHBondContact N-OD2 2.87Å; N26-D142 WeakPolarHBondContact CA-OD1 3.49Å; N26-D142 WeakPolarHBondContact CB-OD1 3.31Å; N26-D142 PolarHBondContact N-OD1 2.93Å; N26-D142 PolarHBondContact N-OD2 3.29Å; K27-D142 PolarHBondContact N-OD1 2.82Å; K27-D142 PolarHBondContact O-N 3.08Å
143S93.4Very high93.2Very high19 Ų1921.8 Ų21.813%0.13313%0.126CC..  trans-92.7139.2179.1-57.20000112.1K22 G24 K27 I145K22-S143 CarbonylContact O-C 3.51Å; K22-S143 WeakPolarHBondContact O-CA 3.36Å; K22-S143 WeakPolarHBondContact O-CB 3.28Å; G24-S143 PolarHBondContact N-OG 3.29Å; K27-S143 PolarHBondContact O-OG 3.38Å; S143-I145 PolarHBondContact O-N 3.49Å
144D92.1Very high93.2Very high115 Ų11523.1 Ų23.162%0.61513%0.131SC*.EExtended strand (participates in β ladder)trans-85.8104.3179.8-65-44.7000109.6G21 K22G21-D144 CarbonylContact C-O 3.01Å; G21-D144 VanDerWaalsContact CA-O 3.26Å; G21-D144 WeakPolarHBondContact CA-O 3.48Å; K22-D144 HydrophobicContact CB-CB 4.39Å; K22-D144 PolarHBondContact N-O 3.36Å; K22-D144 PolarHBondContact O-N 3.04Å
145I92.6Very high93.1Very high36 Ų3623 Ų2319%0.18513%0.131CC..EExtended strand (participates in β ladder)trans-79.2132.4179.7-49.8-52.4000110.2V19 N20 F28 F102 I139 S143 I148V19-I145 HydrophobicContact CG1-CD1 3.89Å; V19-I145 HydrophobicContact CG1-CG2 4Å; N20-I145 WeakPolarHBondContact O-CG2 3.12Å; F28-I145 HydrophobicContact CD2-CD1 4.13Å; F28-I145 HydrophobicContact CE2-CD1 3.88Å; F102-I145 HydrophobicContact CZ-CD1 4.22Å; I139-I145 HydrophobicContact CG2-CD1 4.27Å; I139-I145 HydrophobicContact CG2-CG1 4.18Å; S143-I145 PolarHBondContact O-N 3.49Å; I145-I148 HydrophobicContact CG2-CD1 4.29Å; I145-I148 HydrophobicContact CG2-CG1 3.86Å
146S89.8Confident93.2Very high31 Ų3121.7 Ų21.722%0.21712%0.123CC..EExtended strand (participates in β ladder)trans-97.3-43.917755.80000112.3N20 P173 K174N20-S146 PolarHBondContact O-N 3.19Å; N20-S146 PolarHBondContact O-OG 3.21Å; N20-S146 VanDerWaalsContact O-OG 3.1Å; S146-P173 WeakPolarHBondContact O-CA 3.27Å; S146-K174 PolarHBondContact O-N 3.38Å
147T91.5Very high93Very high5 Ų525.9 Ų25.93%0.03114%0.142CC..EExtended strand (participates in β ladder)trans-155.7140.6-171.232.20000110.2N20 H167 K174N20-T147 WeakPolarHBondContact CB-OG1 3.42Å; N20-T147 PolarHBondContact N-O 3.36Å; N20-T147 PolarHBondContact O-N 2.95Å; T147-H167 WeakPolarHBondContact CB-CE1 3.32Å; T147-H167 WeakPolarHBondContact CG2-CE1 3.35Å; T147-H167 PolarHBondContact OG1-CE1 3.13Å; T147-H167 PolarHBondContact OG1-ND1 3.33Å; T147-K174 WeakPolarHBondContact CA-O 3.24Å; T147-K174 HydrophobicContact CG2-CB 4.35Å
148I94.1Very high92.7Very high9 Ų927.4 Ų27.45%0.04615%0.149CC..EExtended strand (participates in β ladder)trans-121.8124.6170.6-50.7174.4000107.4I17 E18 V19 F137 I139 I145 K174 I175 I176I17-I148 HydrophobicContact CG2-CG2 4.34Å; E18-I148 CarbonylContact O-C 3.51Å; E18-I148 WeakPolarHBondContact O-CA 3.44Å; V19-I148 HydrophobicContact CG2-CG1 4.49Å; V19-I148 HydrophobicContact CG2-CG2 4.19Å; F137-I148 HydrophobicContact CE1-CG2 4.41Å; F137-I148 HydrophobicContact CE2-CD1 3.77Å; F137-I148 HydrophobicContact CE2-CG2 4.36Å; F137-I148 HydrophobicContact CZ-CD1 4.04Å; F137-I148 HydrophobicContact CZ-CG2 3.77Å; I139-I148 HydrophobicContact CD1-CD1 3.52Å; I139-I148 HydrophobicContact CD1-CG1 4.34Å; I145-I148 HydrophobicContact CG2-CD1 4.29Å; I145-I148 HydrophobicContact CG2-CG1 3.86Å; I148-K174 PolarHBondContact N-O 3.46Å; I148-I175 HydrophobicContact CB-CG1 4.29Å; I148-I175 HydrophobicContact CB-CG2 4.4Å; I148-I175 HydrophobicContact CD1-CD1 4.3Å; I148-I175 HydrophobicContact CD1-CG1 4.23Å; I148-I175 CarbonylContact O-C 3.55Å; I148-I175 VanDerWaalsContact O-CA 3.3Å; I148-I175 WeakPolarHBondContact O-CA 3.09Å; I148-I176 PolarHBondContact O-N 3.31Å
149L94.5Very high92.6Very high0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-109.3138.2176.1-45.8177.9000107.8I17 E18 I156 Y159 N160 I176I17-L149 CarbonylContact C-O 3.54Å; I17-L149 WeakPolarHBondContact CA-O 3.46Å; E18-L149 HydrophobicContact CB-CB 4.3Å; E18-L149 PolarHBondContact N-O 2.89Å; E18-L149 PolarHBondContact O-N 3Å; L149-I156 HydrophobicContact CB-CD1 4.12Å; L149-I156 HydrophobicContact CB-CG1 4.1Å; L149-I156 HydrophobicContact CB-CG2 4.26Å; L149-I156 HydrophobicContact CD1-CG2 3.91Å; L149-Y159 HydrophobicContact CD1-CD1 3.51Å; L149-Y159 HydrophobicContact CD1-CE1 3.82Å; L149-Y159 HydrophobicContact CD2-CD1 3.8Å; L149-Y159 HydrophobicContact CD2-CE1 3.52Å; L149-Y159 HydrophobicContact CG-CD1 4.31Å; L149-Y159 HydrophobicContact CG-CE1 4.34Å; L149-N160 WeakPolarHBondContact CD1-OD1 2.77Å; L149-I176 WeakPolarHBondContact CA-O 3.32Å; L149-I176 HydrophobicContact CD2-CB 3.84Å; L149-I176 HydrophobicContact CD2-CD1 3.88Å; L149-I176 HydrophobicContact CD2-CG1 4.06Å
150F95Very high92.3Very high0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-145.9152174.175.9-80.8000112.3F5 L7 P8 C16 I17 I175 I176 E177 C178 L430F5-F150 HydrophobicContact CE1-CE1 4.23Å; F5-F150 HydrophobicContact CE1-CZ 4.5Å; L7-F150 HydrophobicContact CD2-CD1 4.39Å; L7-F150 HydrophobicContact CD2-CD2 3.47Å; L7-F150 VanDerWaalsContact CD2-CD2 3.47Å; L7-F150 HydrophobicContact CD2-CE2 3.62Å; L7-F150 HydrophobicContact CD2-CG 3.88Å; L7-F150 HydrophobicContact CD2-CZ 4.16Å; P8-F150 VanDerWaalsContact CD-CZ 3.46Å; P8-F150 HydrophobicContact CG-CE2 4.12Å; P8-F150 HydrophobicContact CG-CZ 3.68Å; C16-F150 CarbonylContact O-C 3.6Å; C16-F150 VanDerWaalsContact O-CA 3.25Å; C16-F150 WeakPolarHBondContact O-CA 3.23Å; I17-F150 HydrophobicContact CG1-CB 4.18Å; F150-I175 HydrophobicContact CD1-CG2 3.89Å; F150-I175 HydrophobicContact CE1-CG2 3.77Å; F150-I176 WeakPolarHBondContact CD1-O 3.28Å; F150-I176 PolarHBondContact N-O 3.24Å; F150-E177 HydrophobicContact CD2-CG 4.35Å; F150-E177 HydrophobicContact CE1-CB 3.81Å; F150-E177 HydrophobicContact CE1-CG 4.38Å; F150-E177 HydrophobicContact CE2-CB 4Å; F150-E177 HydrophobicContact CE2-CG 3.65Å; F150-E177 HydrophobicContact CZ-CB 3.47Å; F150-E177 VanDerWaalsContact CZ-CB 3.47Å; F150-E177 HydrophobicContact CZ-CG 3.67Å; F150-E177 CarbonylContact O-C 3.51Å; F150-E177 WeakPolarHBondContact O-CA 3.2Å; F150-C178 PolarHBondContact O-N 2.8Å; F150-L430 HydrophobicContact CE1-CD1 4.03Å; F150-L430 HydrophobicContact CZ-CD1 4.4Å
151G93.7Very high91.9Very high0 Ų030.7 Ų30.70%017%0.173CC..EExtended strand (participates in β ladder)trans118.5-151.2-176.300000111.5D15 C16 L153 C178D15-G151 CarbonylContact C-O 3.51Å; D15-G151 VanDerWaalsContact CA-O 3.29Å; D15-G151 WeakPolarHBondContact CA-O 3.27Å; D15-G151 WeakPolarHBondContact OD1-CA 3.38Å; C16-G151 PolarHBondContact N-O 3.04Å; C16-G151 PolarHBondContact O-N 3.29Å; G151-L153 PolarHBondContact O-N 3.38Å; G151-C178 CarbonylContact C-O 2.98Å; G151-C178 WeakPolarHBondContact CA-O 3.29Å
152D92.1Very high91.4Very high13 Ų1335.7 Ų35.77%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-62.7131.9-170.6177.1-77.6000111.6D15 N154 A155 I156 C178 L180D15-D152 PolarHBondContact OD1-N 2.87Å; D152-N154 VanDerWaalsContact C-N 3.33Å; D152-N154 PolarHBondContact O-N 2.71Å; D152-N154 WeakPolarHBondContact OD1-CA 3.23Å; D152-N154 VanDerWaalsContact OD1-CB 3.3Å; D152-N154 WeakPolarHBondContact OD1-CB 3.3Å; D152-N154 PolarHBondContact OD1-N 2.95Å; D152-A155 HydrophobicContact CB-CB 3.99Å; D152-A155 WeakPolarHBondContact O-CB 3.32Å; D152-A155 PolarHBondContact O-N 3.38Å; D152-A155 VanDerWaalsContact O-N 3.13Å; D152-A155 PolarHBondContact OD1-N 3.07Å; D152-I156 WeakPolarHBondContact O-CG1 3.23Å; D152-I156 PolarHBondContact O-N 3.49Å; D152-C178 PolarHBondContact N-O 2.93Å; D152-L180 HydrophobicContact CB-CD1 4.5Å; D152-L180 HydrophobicContact CB-CG 4.09Å; D152-L180 VanDerWaalsContact CG-CD1 3.48Å; D152-L180 WeakPolarHBondContact OD1-CD1 3.38Å; D152-L180 WeakPolarHBondContact OD1-CG 3.27Å; D152-L180 VanDerWaalsContact OD2-CD1 3.31Å; D152-L180 WeakPolarHBondContact OD2-CD1 3.44Å
153L92.6Very high90.6Very high40 Ų4034.5 Ų34.521%0.20918%0.182CC..Hα-helixtrans-56.7-42.7-177.4177.861.1000112.9G14 C16 V107 G151 I156 E157G14-L153 PolarHBondContact O-N 2.68Å; C16-L153 HydrophobicContact CB-CB 4.09Å; C16-L153 HydrophobicContact CB-CD1 3.86Å; V107-L153 HydrophobicContact CG1-CD2 4.15Å; V107-L153 HydrophobicContact CG2-CD1 4.31Å; G151-L153 PolarHBondContact O-N 3.38Å; L153-I156 PolarHBondContact O-N 2.77Å; L153-E157 WeakPolarHBondContact O-CG 3.27Å; L153-E157 PolarHBondContact O-N 2.91Å
154N90.7Very high89.1Confident50 Ų5040 Ų4027%0.26721%0.208SC..Hα-helixtrans-72.2-32.2179.7-56-70.1000111.4D152 E157 K158 L180 T188 L437D152-N154 VanDerWaalsContact C-N 3.33Å; D152-N154 PolarHBondContact O-N 2.71Å; D152-N154 WeakPolarHBondContact OD1-CA 3.23Å; D152-N154 VanDerWaalsContact OD1-CB 3.3Å; D152-N154 WeakPolarHBondContact OD1-CB 3.3Å; D152-N154 PolarHBondContact OD1-N 2.95Å; N154-E157 PolarHBondContact O-N 3.47Å; N154-K158 WeakPolarHBondContact O-CD 3.29Å; N154-K158 VanDerWaalsContact O-CG 3.22Å; N154-K158 WeakPolarHBondContact O-CG 3.46Å; N154-K158 PolarHBondContact O-N 3.44Å; N154-L180 HydrophobicContact CB-CD2 4.45Å; N154-T188 WeakPolarHBondContact ND2-CG2 3.42Å; N154-L437 HydrophobicContact CB-CD2 4.46Å
155A91.2Very high86.9Confident0 Ų039.2 Ų39.20%022%0.218CC..Hα-helixtrans-64.5-40.1170.600000111.7D152 Y159 C178 L180 F435D152-A155 HydrophobicContact CB-CB 3.99Å; D152-A155 WeakPolarHBondContact O-CB 3.32Å; D152-A155 PolarHBondContact O-N 3.38Å; D152-A155 VanDerWaalsContact O-N 3.13Å; D152-A155 PolarHBondContact OD1-N 3.07Å; A155-Y159 WeakPolarHBondContact O-CB 3.41Å; A155-Y159 PolarHBondContact O-N 3.26Å; A155-C178 HydrophobicContact CB-CB 3.88Å; A155-L180 HydrophobicContact CB-CD2 4.02Å; A155-L180 HydrophobicContact CB-CG 4.31Å; A155-F435 HydrophobicContact CB-CB 4.48Å; A155-F435 HydrophobicContact CB-CD2 4.17Å
156I92.6Very high84.9Confident0 Ų044.7 Ų44.70%024%0.243CC..Hα-helixtrans-64.6-43174.4-69.5176.3000111.3C16 E18 L149 D152 L153 Y159 N160 C178C16-I156 HydrophobicContact CB-CD1 3.92Å; C16-I156 WeakPolarHBondContact O-CD1 3.43Å; E18-I156 HydrophobicContact CB-CG2 4.41Å; L149-I156 HydrophobicContact CB-CD1 4.12Å; L149-I156 HydrophobicContact CB-CG1 4.1Å; L149-I156 HydrophobicContact CB-CG2 4.26Å; L149-I156 HydrophobicContact CD1-CG2 3.91Å; D152-I156 WeakPolarHBondContact O-CG1 3.23Å; D152-I156 PolarHBondContact O-N 3.49Å; L153-I156 PolarHBondContact O-N 2.77Å; I156-Y159 WeakPolarHBondContact O-CB 3.41Å; I156-Y159 PolarHBondContact O-N 2.97Å; I156-N160 WeakPolarHBondContact O-CB 3.05Å; I156-N160 PolarHBondContact O-N 3.34Å; I156-C178 HydrophobicContact CG1-CB 3.7Å
157E90.7Very high83Confident90 Ų9045 Ų4542%0.42124%0.241SC..Hα-helixtrans-66.4-37.2178.5-72-174.5-178.800112.8L153 N154 S161L153-E157 WeakPolarHBondContact O-CG 3.27Å; L153-E157 PolarHBondContact O-N 2.91Å; N154-E157 PolarHBondContact O-N 3.47Å; E157-S161 VanDerWaalsContact O-CB 3.29Å; E157-S161 WeakPolarHBondContact O-CB 3.47Å; E157-S161 PolarHBondContact O-N 3.36Å; E157-S161 PolarHBondContact O-OG 2.95Å
158K88.7Confident80.9Confident35 Ų3551.3 Ų51.315%0.15227%0.273CS..Hα-helixtrans-67.1-42.9170.8-67.4166.1-162.2172.10112.3N154 N160 S161 K162 F435 E436 L437N154-K158 WeakPolarHBondContact O-CD 3.29Å; N154-K158 VanDerWaalsContact O-CG 3.22Å; N154-K158 WeakPolarHBondContact O-CG 3.46Å; N154-K158 PolarHBondContact O-N 3.44Å; K158-N160 PolarHBondContact O-N 3.29Å; K158-S161 PolarHBondContact O-N 3.41Å; K158-K162 VanDerWaalsContact O-CB 3.23Å; K158-K162 WeakPolarHBondContact O-CB 3.36Å; K158-K162 PolarHBondContact O-N 2.93Å; K158-F435 HydrophobicContact CB-CB 4.44Å; K158-F435 HydrophobicContact CB-CD1 3.59Å; K158-F435 HydrophobicContact CB-CE1 4.03Å; K158-F435 HydrophobicContact CB-CG 4.12Å; K158-F435 HydrophobicContact CD-CB 3.73Å; K158-F435 HydrophobicContact CD-CD1 4.25Å; K158-F435 HydrophobicContact CD-CG 4.29Å; K158-E436 WeakPolarHBondContact CE-O 3.32Å; K158-E436 PolarHBondContact NZ-O 2.95Å; K158-L437 VanDerWaalsContact NZ-CA 3.3Å; K158-L437 VanDerWaalsContact NZ-CD2 3.26Å
159Y90.7Very high78.7Confident12 Ų1259.2 Ų59.25%0.04731%0.31CS..Hα-helixtrans-56.4-51.2174.3173.7-87.3000110.5L149 A155 I156 S161 K162 H163 H167 I176 E433 F435L149-Y159 HydrophobicContact CD1-CD1 3.51Å; L149-Y159 HydrophobicContact CD1-CE1 3.82Å; L149-Y159 HydrophobicContact CD2-CD1 3.8Å; L149-Y159 HydrophobicContact CD2-CE1 3.52Å; L149-Y159 HydrophobicContact CG-CD1 4.31Å; L149-Y159 HydrophobicContact CG-CE1 4.34Å; A155-Y159 WeakPolarHBondContact O-CB 3.41Å; A155-Y159 PolarHBondContact O-N 3.26Å; I156-Y159 WeakPolarHBondContact O-CB 3.41Å; I156-Y159 PolarHBondContact O-N 2.97Å; Y159-S161 PolarHBondContact O-N 2.94Å; Y159-K162 PolarHBondContact O-N 3.14Å; Y159-H163 AromaticContact CD2-CD2 3.78Å; Y159-H163 HydrophobicContact CE1-CB 4.33Å; Y159-H163 AromaticContact CE2-CD2 3.58Å; Y159-H163 AromaticContact CE2-CG 3.99Å; Y159-H163 AromaticContact CE2-NE2 3.91Å; Y159-H163 AromaticContact CZ-CG 3.97Å; Y159-H163 WeakPolarHBondContact O-CB 3.44Å; Y159-H163 PolarHBondContact O-CD2 3.13Å; Y159-H163 VanDerWaalsContact O-CD2 3.29Å; Y159-H163 PolarHBondContact O-N 2.87Å; Y159-H167 AromaticContact CD1-NE2 3.76Å; Y159-H167 AromaticContact CE1-CE1 3.55Å; Y159-H167 AromaticContact CE1-NE2 2.46Å; Y159-H167 WeakPolarHBondContact CE1-NE2 3.48Å; Y159-H167 AromaticContact CE2-NE2 3.82Å; Y159-H167 AromaticContact CZ-NE2 2.48Å; Y159-H167 PolarHBondContact OH-NE2 2.78Å; Y159-I176 HydrophobicContact CE1-CD1 4.29Å; Y159-I176 HydrophobicContact CE2-CD1 3.72Å; Y159-I176 HydrophobicContact CE2-CG2 4.46Å; Y159-I176 VanDerWaalsContact CZ-CD1 3.5Å; Y159-I176 VanDerWaalsContact OH-CD1 3.23Å; Y159-I176 WeakPolarHBondContact OH-CD1 3.41Å; Y159-E433 WeakPolarHBondContact CE2-OE1 3.37Å; Y159-F435 VanDerWaalsContact CA-CZ 3.48Å; Y159-F435 HydrophobicContact CD2-CE2 4.34Å; Y159-F435 AromaticContact CD2-CZ 3.91Å; Y159-F435 HydrophobicContact CD2-CZ 3.91Å; Y159-F435 HydrophobicContact CG-CZ 4.23Å
160N89.3Confident76.6Confident37 Ų3761.7 Ų61.720%0.19833%0.327CS..Hα-helixtrans-59.5-46.6177.5-82.2-20.1000111.1E18 L149 I156 K158 K162 H163 I164E18-N160 PolarHBondContact OE1-ND2 3.42Å; L149-N160 WeakPolarHBondContact CD1-OD1 2.77Å; I156-N160 WeakPolarHBondContact O-CB 3.05Å; I156-N160 PolarHBondContact O-N 3.34Å; K158-N160 PolarHBondContact O-N 3.29Å; N160-K162 VanDerWaalsContact C-N 3.35Å; N160-K162 PolarHBondContact O-N 2.95Å; N160-H163 CarbonylContact O-C 3.56Å; N160-H163 PolarHBondContact O-N 3.29Å; N160-H163 VanDerWaalsContact O-N 3.14Å; N160-I164 WeakPolarHBondContact O-CG1 3.37Å; N160-I164 PolarHBondContact O-N 3.3Å
161S86.6Confident74.6Confident82 Ų8269.4 Ų69.457%0.57337%0.369SS*.Hα-helixtrans-59.4-39.5177.9-61.70000113.8E157 K158 Y159E157-S161 VanDerWaalsContact O-CB 3.29Å; E157-S161 WeakPolarHBondContact O-CB 3.47Å; E157-S161 PolarHBondContact O-N 3.36Å; E157-S161 PolarHBondContact O-OG 2.95Å; K158-S161 PolarHBondContact O-N 3.41Å; Y159-S161 PolarHBondContact O-N 2.94Å
162K83.6Confident73.3Confident120 Ų12074.9 Ų74.952%0.52240%0.398SS..Hα-helixtrans-71.6-32.5176176.2-172168.1-161.20112.4K158 Y159 N160 E433 F435K158-K162 VanDerWaalsContact O-CB 3.23Å; K158-K162 WeakPolarHBondContact O-CB 3.36Å; K158-K162 PolarHBondContact O-N 2.93Å; Y159-K162 PolarHBondContact O-N 3.14Å; N160-K162 VanDerWaalsContact C-N 3.35Å; N160-K162 PolarHBondContact O-N 2.95Å; K162-E433 IonicContact NZ-OE2 2.77Å; K162-E433 PolarHBondContact NZ-OE2 2.94Å; K162-F435 HydrophobicContact CD-CE1 3.66Å; K162-F435 HydrophobicContact CD-CZ 4.14Å
163H77.8Confident72.5Confident31 Ų3175 Ų7514%0.14440%0.4CS..Hα-helixtrans-108.46.6-171.5-70.2-92.7000115.9Y159 N160 A165 Q166 E433Y159-H163 AromaticContact CD2-CD2 3.78Å; Y159-H163 HydrophobicContact CE1-CB 4.33Å; Y159-H163 AromaticContact CE2-CD2 3.58Å; Y159-H163 AromaticContact CE2-CG 3.99Å; Y159-H163 AromaticContact CE2-NE2 3.91Å; Y159-H163 AromaticContact CZ-CG 3.97Å; Y159-H163 WeakPolarHBondContact O-CB 3.44Å; Y159-H163 PolarHBondContact O-CD2 3.13Å; Y159-H163 VanDerWaalsContact O-CD2 3.29Å; Y159-H163 PolarHBondContact O-N 2.87Å; N160-H163 CarbonylContact O-C 3.56Å; N160-H163 PolarHBondContact O-N 3.29Å; N160-H163 VanDerWaalsContact O-N 3.14Å; H163-A165 PolarHBondContact O-N 2.9Å; H163-Q166 PolarHBondContact O-N 2.96Å; H163-E433 IonicContact NE2-OE2 2.77Å
164I61.9Low72.2Confident133 Ų13376.5 Ų76.568%0.68240%0.404SS*.THydrogen-bonded Turntrans-42.9-38.2174.5-57.3-174.4000112.4N160 Q166N160-I164 WeakPolarHBondContact O-CG1 3.37Å; N160-I164 PolarHBondContact O-N 3.3Å; I164-Q166 PolarHBondContact O-N 2.98Å
165A46Very low72.2Confident99 Ų9974.2 Ų74.282%0.81839%0.392SS*.THydrogen-bonded Turntrans-77.8-6.2-175.800000115.9H163H163-A165 PolarHBondContact O-N 2.9Å
166Q49.6Very low72.2Confident151 Ų15174.3 Ų74.371%0.70639%0.393SS*.THydrogen-bonded Turntrans-128.7-11.5-168-62.6-170.86.800116.4H163 I164 I168H163-Q166 PolarHBondContact O-N 2.96Å; I164-Q166 PolarHBondContact O-N 2.98Å; Q166-I168 VanDerWaalsContact C-N 3.26Å; Q166-I168 PolarHBondContact O-N 2.67Å
167H49.3Very low72.2Confident38 Ų3875 Ų7518%0.17640%0.395CS..THydrogen-bonded Turntrans-72.29.1-163.3-109.5-107.1000118.9T147 Y159T147-H167 WeakPolarHBondContact CB-CE1 3.32Å; T147-H167 WeakPolarHBondContact CG2-CE1 3.35Å; T147-H167 PolarHBondContact OG1-CE1 3.13Å; T147-H167 PolarHBondContact OG1-ND1 3.33Å; Y159-H167 AromaticContact CD1-NE2 3.76Å; Y159-H167 AromaticContact CE1-CE1 3.55Å; Y159-H167 AromaticContact CE1-NE2 2.46Å; Y159-H167 WeakPolarHBondContact CE1-NE2 3.48Å; Y159-H167 AromaticContact CE2-NE2 3.82Å; Y159-H167 AromaticContact CZ-NE2 2.48Å; Y159-H167 PolarHBondContact OH-NE2 2.78Å
168I48.1Very low72.3Confident137 Ų13770.7 Ų70.770%0.70338%0.375SS*.THydrogen-bonded Turntrans-112.9-6.2-160.5-61.7-179.6000114.5Q166Q166-I168 VanDerWaalsContact C-N 3.26Å; Q166-I168 PolarHBondContact O-N 2.67Å
169Q47.8Very low72.3Confident175 Ų17570.5 Ų70.582%0.81837%0.374SS*.  trans-137.815.5-171.6-65.3-167.6-6.600117.7N171Q169-N171 PolarHBondContact O-N 2.92Å
170S50.8Low72Confident53 Ų5370.3 Ų70.337%0.37137%0.373SS..  trans-78.6103.6170.2510000111.5N172S170-N172 PolarHBondContact O-N 3.42Å
171N53.6Low71.3Confident162 Ų16270.4 Ų70.487%0.86638%0.376SS*.SBendtrans-64-7.8177-70.7-18.6000114.9Q169Q169-N171 PolarHBondContact O-N 2.92Å
172N64.6Low70Confident115 Ų11571.5 Ų71.562%0.61538%0.383SS*.SBendtrans-111.6130.6175-63.8-16.8000108.3S170S170-N172 PolarHBondContact O-N 3.42Å
173P76.6Confident68.6Low16 Ų1672.6 Ų72.610%0.10440%0.395CS..  trans-65.3140172.627.4-33.8000111S146 Q426 L428S146-P173 WeakPolarHBondContact O-CA 3.27Å; P173-Q426 HydrophobicContact CG-CG 4.45Å; P173-L428 HydrophobicContact CB-CD2 3.61Å; P173-L428 HydrophobicContact CG-CD2 3.55Å; P173-L428 HydrophobicContact CG-CG 4.36Å
174K86.6Confident67.5Low71 Ų7172 Ų7231%0.30939%0.393SS..EExtended strand (participates in β ladder)trans-114.6154.9171.7-59.9-161179.7-149.30111.7S146 T147 I148 I176 E429S146-K174 PolarHBondContact O-N 3.38Å; T147-K174 WeakPolarHBondContact CA-O 3.24Å; T147-K174 HydrophobicContact CG2-CB 4.35Å; I148-K174 PolarHBondContact N-O 3.46Å; K174-I176 HydrophobicContact CB-CG1 4.43Å; K174-E429 WeakPolarHBondContact CE-OE2 3.44Å; K174-E429 HydrophobicContact CG-CB 4.49Å; K174-E429 IonicContact NZ-OE2 2.67Å; K174-E429 PolarHBondContact NZ-OE2 2.84Å
175I90.5Very high67.1Low1 Ų169.5 Ų69.51%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-122130.8169.9-53.5-176.5000107.6F5 I148 F150 L428 E429 L430 V431F5-I175 HydrophobicContact CB-CD1 4.17Å; F5-I175 HydrophobicContact CD1-CD1 4.11Å; F5-I175 HydrophobicContact CD1-CG2 4.37Å; F5-I175 HydrophobicContact CD2-CD1 3.37Å; F5-I175 HydrophobicContact CE1-CD1 4.37Å; F5-I175 HydrophobicContact CE1-CG2 3.85Å; F5-I175 HydrophobicContact CE2-CD1 3.69Å; F5-I175 HydrophobicContact CE2-CG2 4.36Å; F5-I175 HydrophobicContact CG-CD1 3.6Å; F5-I175 HydrophobicContact CZ-CD1 4.19Å; F5-I175 HydrophobicContact CZ-CG2 3.85Å; I148-I175 HydrophobicContact CB-CG1 4.29Å; I148-I175 HydrophobicContact CB-CG2 4.4Å; I148-I175 HydrophobicContact CD1-CD1 4.3Å; I148-I175 HydrophobicContact CD1-CG1 4.23Å; I148-I175 CarbonylContact O-C 3.55Å; I148-I175 VanDerWaalsContact O-CA 3.3Å; I148-I175 WeakPolarHBondContact O-CA 3.09Å; F150-I175 HydrophobicContact CD1-CG2 3.89Å; F150-I175 HydrophobicContact CE1-CG2 3.77Å; I175-L428 HydrophobicContact CD1-CB 4.26Å; I175-L428 HydrophobicContact CD1-CD1 4.14Å; I175-L428 HydrophobicContact CD1-CD2 4.02Å; I175-L428 HydrophobicContact CD1-CG 4.37Å; I175-L428 HydrophobicContact CG1-CB 4.45Å; I175-L428 HydrophobicContact CG1-CD2 3.96Å; I175-E429 PolarHBondContact N-O 2.85Å; I175-E429 VanDerWaalsContact O-O 3.07Å; I175-L430 HydrophobicContact CB-CD1 4.35Å; I175-L430 HydrophobicContact CG2-CD1 4.15Å; I175-L430 CarbonylContact O-C 3.53Å; I175-L430 VanDerWaalsContact O-CA 3.32Å; I175-L430 WeakPolarHBondContact O-CA 3.42Å; I175-V431 PolarHBondContact O-N 2.96Å
176I91.1Very high67.3Low3 Ų371.2 Ų71.22%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-130.4115-171.8-48.3-176.6000109.8I148 L149 F150 Y159 K174 C178 V431 E433I148-I176 PolarHBondContact O-N 3.31Å; L149-I176 WeakPolarHBondContact CA-O 3.32Å; L149-I176 HydrophobicContact CD2-CB 3.84Å; L149-I176 HydrophobicContact CD2-CD1 3.88Å; L149-I176 HydrophobicContact CD2-CG1 4.06Å; F150-I176 WeakPolarHBondContact CD1-O 3.28Å; F150-I176 PolarHBondContact N-O 3.24Å; Y159-I176 HydrophobicContact CE1-CD1 4.29Å; Y159-I176 HydrophobicContact CE2-CD1 3.72Å; Y159-I176 HydrophobicContact CE2-CG2 4.46Å; Y159-I176 VanDerWaalsContact CZ-CD1 3.5Å; Y159-I176 VanDerWaalsContact OH-CD1 3.23Å; Y159-I176 WeakPolarHBondContact OH-CD1 3.41Å; K174-I176 HydrophobicContact CB-CG1 4.43Å; I176-C178 PolarHBondContact O-N 3.43Å; I176-V431 CarbonylContact C-O 3.57Å; I176-V431 VanDerWaalsContact CA-O 3.31Å; I176-V431 WeakPolarHBondContact CA-O 3.36Å; I176-V431 HydrophobicContact CG1-CB 4.32Å; I176-V431 HydrophobicContact CG2-CB 4.34Å; I176-E433 HydrophobicContact CG2-CB 4.41Å; I176-E433 HydrophobicContact CG2-CG 4.29Å
177E93Very high67Low13 Ų1365.8 Ų65.86%0.06136%0.356CS..EExtended strand (participates in β ladder)trans-74.4115.8166.2-166.7-177.7-15500108.2S9 F150 R179 V431 R432 E433S9-E177 PolarHBondContact OG-OE1 2.86Å; F150-E177 HydrophobicContact CD2-CG 4.35Å; F150-E177 HydrophobicContact CE1-CB 3.81Å; F150-E177 HydrophobicContact CE1-CG 4.38Å; F150-E177 HydrophobicContact CE2-CB 4Å; F150-E177 HydrophobicContact CE2-CG 3.65Å; F150-E177 HydrophobicContact CZ-CB 3.47Å; F150-E177 VanDerWaalsContact CZ-CB 3.47Å; F150-E177 HydrophobicContact CZ-CG 3.67Å; F150-E177 CarbonylContact O-C 3.51Å; F150-E177 WeakPolarHBondContact O-CA 3.2Å; E177-R179 HydrophobicContact CG-CG 3.98Å; E177-R179 IonicContact OE1-CZ 3.73Å; E177-R179 IonicContact OE1-NE 2.68Å; E177-R179 PolarHBondContact OE1-NE 2.65Å; E177-R179 IonicContact OE1-NH2 2.63Å; E177-R179 PolarHBondContact OE1-NH2 3.06Å; E177-V431 PolarHBondContact N-O 1.98Å; E177-R432 HydrophobicContact CB-CB 4.32Å; E177-R432 HydrophobicContact CB-CG 4.31Å; E177-R432 CarbonylContact O-C 3.59Å; E177-R432 WeakPolarHBondContact O-CA 3.3Å; E177-R432 IonicContact OE1-NH1 3.73Å; E177-R432 WeakPolarHBondContact OE2-CD 3.23Å; E177-R432 IonicContact OE2-CZ 3.18Å; E177-R432 IonicContact OE2-NE 2.71Å; E177-R432 IonicContact OE2-NH1 2.77Å; E177-R432 PolarHBondContact OE2-NH1 3.24Å; E177-E433 PolarHBondContact O-N 2.88Å
178C91.8Very high67.1Low0 Ų064.1 Ų64.10%035%0.349CS..EExtended strand (participates in β ladder)trans-104.8116.1176.5-59.10000108.3F150 G151 D152 A155 I156 I176 E433F150-C178 PolarHBondContact O-N 2.8Å; G151-C178 CarbonylContact C-O 2.98Å; G151-C178 WeakPolarHBondContact CA-O 3.29Å; D152-C178 PolarHBondContact N-O 2.93Å; A155-C178 HydrophobicContact CB-CB 3.88Å; I156-C178 HydrophobicContact CG1-CB 3.7Å; I176-C178 PolarHBondContact O-N 3.43Å; C178-E433 WeakPolarHBondContact CA-O 3.4Å
179R89.3Confident67.1Low31 Ų3162 Ų6212%0.11734%0.342CS..EExtended strand (participates in β ladder)trans-125.1151.7177.8-63.5-64.4-178.8-173-5.4110.7S9 D15 E177 E433 E434 F435S9-R179 PolarHBondContact OG-NH2 3.5Å; S9-R179 VanDerWaalsContact OG-NH2 3.07Å; D15-R179 VanDerWaalsContact CG-NH1 3.29Å; D15-R179 IonicContact OD1-CZ 2.67Å; D15-R179 IonicContact OD1-NH1 3.65Å; D15-R179 PolarHBondContact OD1-NH1 3.45Å; D15-R179 IonicContact OD2-CZ 3.3Å; D15-R179 IonicContact OD2-NH1 2.71Å; D15-R179 PolarHBondContact OD2-NH1 2.82Å; D15-R179 VanDerWaalsContact OD2-NH1 3.13Å; D15-R179 IonicContact OD2-NH2 3.47Å; D15-R179 PolarHBondContact OD2-NH2 2.83Å; E177-R179 HydrophobicContact CG-CG 3.98Å; E177-R179 IonicContact OE1-CZ 3.73Å; E177-R179 IonicContact OE1-NE 2.68Å; E177-R179 PolarHBondContact OE1-NE 2.65Å; E177-R179 IonicContact OE1-NH2 2.63Å; E177-R179 PolarHBondContact OE1-NH2 3.06Å; R179-E433 PolarHBondContact N-O 3.14Å; R179-E434 VanDerWaalsContact O-CA 3.31Å; R179-E434 WeakPolarHBondContact O-CA 3.39Å; R179-F435 PolarHBondContact O-N 3.5Å
180L83.5Confident66.8Low8 Ų860.1 Ų60.14%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-77.3160.7165.8-65179.9000110.2D152 N154 A155 D184 L185 T188 F435 L437D152-L180 HydrophobicContact CB-CD1 4.5Å; D152-L180 HydrophobicContact CB-CG 4.09Å; D152-L180 VanDerWaalsContact CG-CD1 3.48Å; D152-L180 WeakPolarHBondContact OD1-CD1 3.38Å; D152-L180 WeakPolarHBondContact OD1-CG 3.27Å; D152-L180 VanDerWaalsContact OD2-CD1 3.31Å; D152-L180 WeakPolarHBondContact OD2-CD1 3.44Å; N154-L180 HydrophobicContact CB-CD2 4.45Å; A155-L180 HydrophobicContact CB-CD2 4.02Å; A155-L180 HydrophobicContact CB-CG 4.31Å; L180-D184 HydrophobicContact CB-CB 3.86Å; L180-D184 HydrophobicContact CD1-CB 4.27Å; L180-L185 HydrophobicContact CB-CG 4.49Å; L180-T188 HydrophobicContact CD1-CG2 3.55Å; L180-F435 WeakPolarHBondContact CA-O 3.33Å; L180-F435 WeakPolarHBondContact CD2-O 3.46Å; L180-L437 HydrophobicContact CD1-CD1 4.38Å; L180-L437 HydrophobicContact CD1-CG 4.42Å; L180-L437 HydrophobicContact CD2-CD2 4.35Å; L180-L437 HydrophobicContact CD2-CG 4.33Å
181T75Confident66.6Low40 Ų4062.6 Ų62.625%0.24535%0.345CS..  trans-72.5164.4172.379.50000110.8D183 D184 L185 F435 E436T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 2.9Å; T181-D184 WeakPolarHBondContact CB-OD2 3.45Å; T181-D184 PolarHBondContact N-OD2 2.83Å; T181-D184 WeakPolarHBondContact O-CB 3.21Å; T181-D184 PolarHBondContact O-N 3.31Å; T181-D184 VanDerWaalsContact O-N 3.15Å; T181-D184 PolarHBondContact OG1-OD2 2.98Å; T181-L185 PolarHBondContact O-N 3.13Å; T181-F435 PolarHBondContact N-O 2.67Å; T181-E436 HydrophobicContact CG2-CG 3.84Å
182S60.4Low66.1Low104 Ų10458.1 Ų58.173%0.72732%0.321SS*.Hα-helixtrans-60.4-33.4-173.4-58.20000114.1
183D53.4Low64.9Low143 Ų14358.9 Ų58.977%0.76533%0.325SS*.Hα-helixtrans-74.5-29.6-179.4-63.4-17.3000111.7T181T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 PolarHBondContact O-N 2.9Å
184D54.2Low63.1Low19 Ų1961.6 Ų61.610%0.10234%0.344CS..Hα-helixtrans-76.8-33.8-178.7-63.5-50.8000113.5L180 T181 L186 A187 T188 E436 L437L180-D184 HydrophobicContact CB-CB 3.86Å; L180-D184 HydrophobicContact CD1-CB 4.27Å; T181-D184 WeakPolarHBondContact CB-OD2 3.45Å; T181-D184 PolarHBondContact N-OD2 2.83Å; T181-D184 WeakPolarHBondContact O-CB 3.21Å; T181-D184 PolarHBondContact O-N 3.31Å; T181-D184 VanDerWaalsContact O-N 3.15Å; T181-D184 PolarHBondContact OG1-OD2 2.98Å; D184-L186 PolarHBondContact O-N 3.3Å; D184-A187 WeakPolarHBondContact O-CA 3.44Å; D184-A187 WeakPolarHBondContact O-CB 3.37Å; D184-A187 PolarHBondContact O-N 2.82Å; D184-T188 PolarHBondContact O-N 2.92Å; D184-T188 PolarHBondContact O-OG1 3.3Å; D184-E436 WeakPolarHBondContact OD2-CA 3.42Å; D184-L437 HydrophobicContact CB-CB 4.39Å; D184-L437 HydrophobicContact CB-CD1 3.63Å; D184-L437 HydrophobicContact CB-CG 3.85Å; D184-L437 VanDerWaalsContact OD1-CB 3.24Å; D184-L437 WeakPolarHBondContact OD1-CB 3.46Å; D184-L437 PolarHBondContact OD1-N 3.01Å; D184-L437 PolarHBondContact OD2-N 2.87Å
185L54.9Low60.9Low81 Ų8163.7 Ų63.742%0.42436%0.355SS..Hα-helixtrans-56.2-31178.4-94.2159.5000112.2L180 T181 A187 T188 V189L180-L185 HydrophobicContact CB-CG 4.49Å; T181-L185 PolarHBondContact O-N 3.13Å; L185-A187 VanDerWaalsContact C-N 3.34Å; L185-T188 PolarHBondContact O-OG1 3.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.32Å; L185-V189 PolarHBondContact O-N 2.79Å
186L50.4Low58.6Low134 Ų13467.5 Ų67.570%0.70237%0.373SS*.Hα-helixtrans-71.4-30.3175-148.477.5000112.2D184 L190D184-L186 PolarHBondContact O-N 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.14Å
187A43.2Very low55.8Low37 Ų3775.1 Ų75.131%0.30641%0.408SS..Hα-helixtrans-80.6-38.1178.700000112.5D184 L185 V189 L190 L191 L437D184-A187 WeakPolarHBondContact O-CA 3.44Å; D184-A187 WeakPolarHBondContact O-CB 3.37Å; D184-A187 PolarHBondContact O-N 2.82Å; L185-A187 VanDerWaalsContact C-N 3.34Å; A187-V189 VanDerWaalsContact C-N 3.35Å; A187-V189 PolarHBondContact O-N 3.03Å; A187-L190 PolarHBondContact O-N 3.44Å; A187-L191 WeakPolarHBondContact O-CG 3.21Å; A187-L191 PolarHBondContact O-N 2.87Å; A187-L191 VanDerWaalsContact O-N 3.15Å; A187-L437 HydrophobicContact CB-CD1 3.95Å
188T49.7Very low53Low4 Ų478.2 Ų78.23%0.02543%0.432CS..Hα-helixtrans-63.2-39.3175.222.90000112.6N154 L180 D184 L185 L190 L191 N192 L437N154-T188 WeakPolarHBondContact ND2-CG2 3.42Å; L180-T188 HydrophobicContact CD1-CG2 3.55Å; D184-T188 PolarHBondContact O-N 2.92Å; D184-T188 PolarHBondContact O-OG1 3.3Å; L185-T188 PolarHBondContact O-OG1 3.29Å; T188-L190 VanDerWaalsContact C-N 3.3Å; T188-L190 PolarHBondContact O-N 3.39Å; T188-L191 PolarHBondContact O-N 2.91Å; T188-N192 WeakPolarHBondContact O-CB 3.38Å; T188-N192 VanDerWaalsContact O-CG 3.3Å; T188-N192 PolarHBondContact O-N 2.86Å; T188-N192 PolarHBondContact O-ND2 3.12Å; T188-L437 HydrophobicContact CG2-CD1 4.49Å
189V48.4Very low50.1Low93 Ų9385.8 Ų85.856%0.56446%0.464SS*.Hα-helixtrans-58.6-42.5174.41710000111.3L185 A187 L191L185-V189 WeakPolarHBondContact O-CG2 3.32Å; L185-V189 PolarHBondContact O-N 2.79Å; A187-V189 VanDerWaalsContact C-N 3.35Å; A187-V189 PolarHBondContact O-N 3.03Å; V189-L191 VanDerWaalsContact C-N 3.32Å; V189-L191 PolarHBondContact O-N 3.08Å
190L42.1Very low47.2Very low135 Ų13589.3 Ų89.371%0.70749%0.49SS*.Hα-helixtrans-72.1-20.6179.6-68.2171.2000114.3L186 A187 T188L186-L190 WeakPolarHBondContact O-CG 3.14Å; A187-L190 PolarHBondContact O-N 3.44Å; T188-L190 VanDerWaalsContact C-N 3.3Å; T188-L190 PolarHBondContact O-N 3.39Å
191L46.6Very low44.7Very low105 Ų10599.8 Ų99.855%0.5553%0.53SS..Hα-helixtrans-91.6-41.3179.6-70.8168.4000112.6A187 T188 V189 D193 S194A187-L191 WeakPolarHBondContact O-CG 3.21Å; A187-L191 PolarHBondContact O-N 2.87Å; A187-L191 VanDerWaalsContact O-N 3.15Å; T188-L191 PolarHBondContact O-N 2.91Å; V189-L191 VanDerWaalsContact C-N 3.32Å; V189-L191 PolarHBondContact O-N 3.08Å; L191-D193 VanDerWaalsContact C-N 3.33Å; L191-D193 PolarHBondContact O-N 2.77Å; L191-S194 WeakPolarHBondContact O-CB 3.46Å; L191-S194 PolarHBondContact O-N 3.3Å; L191-S194 VanDerWaalsContact O-N 3.08Å; L191-S194 PolarHBondContact O-OG 2.86Å
192N42.8Very low42.7Very low68 Ų68103.2 Ų103.236%0.36455%0.547SS..Hα-helixtrans-61.9-36.2-173.2-77.5-31.9000113.4T188 S194 E195T188-N192 WeakPolarHBondContact O-CB 3.38Å; T188-N192 VanDerWaalsContact O-CG 3.3Å; T188-N192 PolarHBondContact O-N 2.86Å; T188-N192 PolarHBondContact O-ND2 3.12Å; N192-S194 PolarHBondContact O-N 3.12Å; N192-S194 VanDerWaalsContact O-N 3.13Å; N192-E195 PolarHBondContact O-N 2.83Å
193D40Very low41.4Very low131 Ų131105.5 Ų105.570%0.70155%0.551SS**Hα-helixtrans-63.2-15.4177.1-77.21.4000113.6L191L191-D193 VanDerWaalsContact C-N 3.33Å; L191-D193 PolarHBondContact O-N 2.77Å
194S37.5Very low40.5Very low72 Ų72106.9 Ų106.950%0.50355%0.551SS.*Hα-helixtrans-90.3-25-175.8750000114.8L191 N192L191-S194 WeakPolarHBondContact O-CB 3.46Å; L191-S194 PolarHBondContact O-N 3.3Å; L191-S194 VanDerWaalsContact O-N 3.08Å; L191-S194 PolarHBondContact O-OG 2.86Å; N192-S194 PolarHBondContact O-N 3.12Å; N192-S194 VanDerWaalsContact O-N 3.13Å
195E41.6Very low39.7Very low115 Ų115110.4 Ų110.454%0.53758%0.577SS.*Hα-helixtrans-84.1-31.1-174.9-76.1-135.4113.700113.6N192 H197 S198 K199N192-E195 PolarHBondContact O-N 2.83Å; E195-H197 PolarHBondContact O-N 2.77Å; E195-S198 PolarHBondContact O-N 2.78Å; E195-S198 PolarHBondContact O-OG 2.91Å; E195-K199 IonicContact OE1-NZ 2.68Å
196E41.3Very low38.7Very low81 Ų81113.1 Ų113.138%0.37959%0.592SS.*THydrogen-bonded Turntrans-73.20.3-175.6-59.5-163.8160.900113.8K109 T110K109-E196 VanDerWaalsContact CD-OE1 3.31Å; K109-E196 WeakPolarHBondContact CD-OE1 3.38Å; K109-E196 WeakPolarHBondContact CE-OE1 3.41Å; K109-E196 IonicContact NZ-OE1 3.3Å; K109-E196 PolarHBondContact NZ-OE1 2.81Å; T110-E196 PolarHBondContact OG1-OE2 2.77Å
197H32.8Very low38Very low164 Ų164113.3 Ų113.376%0.75959%0.593SS**THydrogen-bonded Turntrans-125.41.8-179.5-69.9-5.2000115.1E195E195-H197 PolarHBondContact O-N 2.77Å
198S33.9Very low37.6Very low78 Ų78118.3 Ų118.355%0.54561%0.61SS.*SBendtrans-104.6-4.2-173.861.60000115.8E195E195-S198 PolarHBondContact O-N 2.78Å; E195-S198 PolarHBondContact O-OG 2.91Å
199K30.9Very low36.8Very low158 Ų158124 Ų12469%0.68764%0.639SS**  trans-12643.7-178.3-70.3169.4-171.5142.20113.5E195 Y201E195-K199 IonicContact OE1-NZ 2.68Å; K199-Y201 PolarHBondContact O-N 3.12Å; K199-Y201 VanDerWaalsContact O-N 3.08Å
200T29.4Very low36.1Very low106 Ų106126.9 Ų126.965%0.6565%0.646SS**  trans-60.6109.2157.2-52.90000108.1D202T200-D202 WeakPolarHBondContact CG2-OD1 3.49Å; T200-D202 PolarHBondContact O-N 3.23Å
201Y29.9Very low35.5Very low227 Ų227126 Ų12689%0.8964%0.643SS**  trans-70.588.2163.9-108.8-94.4000107.5K199 D203K199-Y201 PolarHBondContact O-N 3.12Å; K199-Y201 VanDerWaalsContact O-N 3.08Å; Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 2.95Å
202D32.8Very low34.8Very low113 Ų113127.3 Ų127.360%0.60465%0.65SS**  trans-68.988.5178.8-112.24.7000109T200 F204T200-D202 WeakPolarHBondContact CG2-OD1 3.49Å; T200-D202 PolarHBondContact O-N 3.23Å; D202-F204 HydrophobicContact CB-CD2 3.84Å; D202-F204 HydrophobicContact CB-CE2 4.26Å; D202-F204 PolarHBondContact O-N 3.07Å
203D33Very low34.4Very low152 Ų152129.9 Ų129.981%0.81366%0.664SS**  trans-72.648.4-179.4-167.422.8000111.9Y201 S205Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 2.95Å; D203-S205 PolarHBondContact O-N 2.99Å
204F34.8Very low33.8Very low171 Ų171132.1 Ų132.175%0.7567%0.674SS**  trans-7974.2174.9-77.8-66000110.5D202 D206D202-F204 HydrophobicContact CB-CD2 3.84Å; D202-F204 HydrophobicContact CB-CE2 4.26Å; D202-F204 PolarHBondContact O-N 3.07Å; F204-D206 PolarHBondContact O-N 3.26Å
205S37.9Very low33.5Very low94 Ų94133 Ų13366%0.65768%0.676SS**  trans-48.5125.617162.70000112.3D203 N207D203-S205 PolarHBondContact O-N 2.99Å; S205-N207 PolarHBondContact O-N 2.96Å; S205-N207 VanDerWaalsContact O-N 3.11Å
206D34.5Very low33.1Very low137 Ų137133.4 Ų133.473%0.73368%0.682SS**  trans-52.6112.6-178-97.1-52.2000113.2F204F204-D206 PolarHBondContact O-N 3.26Å
207N35.2Very low32.7Very low138 Ų138135.7 Ų135.774%0.73870%0.696SS**  trans-138.963.7153.8-83.8-79.3000110.8S205S205-N207 PolarHBondContact O-N 2.96Å; S205-N207 VanDerWaalsContact O-N 3.11Å
208H34.3Very low32.7Very low143 Ų143134.6 Ų134.666%0.66269%0.691SS**  18.4134.9122.2-99.4-41.5000118.2
209I33Very low32.6Very low123 Ų123138 Ų13863%0.63170%0.698SS**  trans78.3131.4145.6-62.5164.7000113.9
210E33.5Very low32.8Very low153 Ų153137.3 Ų137.372%0.71570%0.702SS**  cis-145.513923.7-149.6139.1-135.600114
211N30.2Very low33Very low117 Ų117137.6 Ų137.663%0.62670%0.703SS**  trans21140.2140.1-44.8-19.9000119.1
212N32.3Very low33.2Very low132 Ų132132.4 Ų132.471%0.70669%0.691SS**  -167.2155.563.8-86.7-78.7000114.5
213N32.8Very low33.3Very low123 Ų123134.4 Ų134.466%0.65870%0.697SS**  trans63.186152.4-58.10.9000119.1
214I27.5Very low33.4Very low177 Ų177133.8 Ų133.891%0.90869%0.694SS**  trans-81.3110.6132-65.4175.8000107
215T32Very low33.5Very low90 Ų90132.5 Ų132.555%0.55269%0.694SS**  trans-157.5134.2165.848.70000105.2
216D32.6Very low33.4Very low125 Ų125135.4 Ų135.467%0.66870%0.701SS**  cis-168.6161.81.9-107.6-25000108.4
217I34.1Very low33.5Very low128 Ų128133 Ų13366%0.65670%0.695SS**  trans54.2133.1134.7-63.4171.2000119.4
218E31.6Very low33.6Very low141 Ų141134.4 Ų134.466%0.65970%0.703SS**  cis-169.1174.7-7.9-115.9168.3-156.100109.8
219H32.2Very low33.5Very low149 Ų149131.3 Ų131.369%0.6971%0.71SS**  trans20.8141.9145.5-58.7-48.6000122.6
220N34.8Very low33.4Very low144 Ų144134.7 Ų134.777%0.7772%0.723SS**  -157.5142.7103.6-108-48000114.9
221T33.8Very low33.1Very low112 Ų112135.9 Ų135.969%0.68773%0.726SS**  trans57.4130150.5570000119.2
222N34.8Very low33.1Very low119 Ų119136.1 Ų136.164%0.63673%0.732SS**  cis-148.1150.87.8-88-20.3000109.7
223Q34.9Very low33Very low155 Ų155134.4 Ų134.472%0.72473%0.726SS**  47.5134.991.2-40.6-173.9-99.100114.3
224D35.9Very low33Very low139 Ų139134.7 Ų134.774%0.74373%0.732SS**  cis-122.7147.113.8-59.2-62.8000110.9
225D36Very low33.2Very low143 Ų143134 Ų13477%0.76573%0.725SS**  92.5147.850.3-133.8-10.8000114.6
226I35.3Very low33.2Very low155 Ų155136.8 Ų136.880%0.79574%0.737SS**  trans86.5128179.4-50.8167.3000118
227S37Very low33Very low88 Ų88141.9 Ų141.962%0.61575%0.748SS**  cis-167.4141.3-30.163.50000112.2
228N36.6Very low32.9Very low167 Ų167142.8 Ų142.889%0.89375%0.753SS**  trans49.5113.1144.8-56.4-22.8000120.9
229G32.8Very low32.9Very low78 Ų78142 Ų14280%0.80475%0.754SS**  trans-159.631.6176.500000117.5
230E30.9Very low32.8Very low193 Ų193145.9 Ų145.990%0.90276%0.762SS**  trans64.9134.2176.8-161.1158.4-149.800116.7
231F26.5Very low32.6Very low179 Ų179148.1 Ų148.179%0.78577%0.768SS**  trans-138.5112.5-170.7179-89.4000110.4V233F231-V233 HydrophobicContact CD1-CG2 4.48Å; F231-V233 HydrophobicContact CE1-CB 4.48Å; F231-V233 HydrophobicContact CE1-CG2 3.67Å; F231-V233 HydrophobicContact CE2-CG2 4Å; F231-V233 HydrophobicContact CZ-CG2 3.39Å
232T31.2Very low32.6Very low122 Ų122150 Ų15075%0.74876%0.762SS**  trans-133.310117253.30000110.2
233V29Very low32.4Very low95 Ų95149.7 Ų149.758%0.57677%0.765SS**  trans-80.1122.7170.8170.40000109.4F231 E235F231-V233 HydrophobicContact CD1-CG2 4.48Å; F231-V233 HydrophobicContact CE1-CB 4.48Å; F231-V233 HydrophobicContact CE1-CG2 3.67Å; F231-V233 HydrophobicContact CE2-CG2 4Å; F231-V233 HydrophobicContact CZ-CG2 3.39Å; V233-E235 HydrophobicContact CG1-CG 3.92Å
234T32.7Very low32.2Very low129 Ų129149.7 Ų149.779%0.79177%0.769SS**  trans-124.492.7161.650.70000108.9N236T234-N236 PolarHBondContact O-N 2.82Å
235E31.8Very low32.1Very low162 Ų162147.9 Ų147.976%0.75776%0.756SS**  trans-62.1127.7168.4-60.1177.9129.900109.7V233V233-E235 HydrophobicContact CG1-CG 3.92Å
236N33Very low31.9Very low150 Ų150143.7 Ų143.780%0.80275%0.747SS**  trans-162.778.4157.3-100-57.1000110.2T234 L238T234-N236 PolarHBondContact O-N 2.82Å; N236-L238 PolarHBondContact O-N 2.84Å
237Y29Very low31.6Very low232 Ų232141.2 Ų141.291%0.9174%0.74SS**SBendtrans12.472.5158.9-82.3-95.8000117.5
238L30.3Very low31.2Very low147 Ų147147.2 Ų147.277%0.7775%0.75SS**  trans-129.8169150.3-70.5172.8000106.6N236N236-L238 PolarHBondContact O-N 2.84Å
239D33.4Very low30.9Very low124 Ų124145.5 Ų145.566%0.66375%0.746SS**  trans57.460.6168.5-49.9-31.2000116.4
240R29.9Very low30.8Very low230 Ų230148.1 Ų148.187%0.86874%0.737SS**SBendtrans-136.37162.8-136.6-177-178.6173.42118.3
241E30.4Very low30.7Very low191 Ų191141.2 Ų141.289%0.89371%0.706SS**SBendtrans-100.2-23.9154.2-70.5-179136.800110.9T243E241-T243 VanDerWaalsContact C-N 3.27Å; E241-T243 PolarHBondContact O-N 2.63Å
242R33.1Very low31Very low151 Ų151140 Ų14057%0.5771%0.707SS**THydrogen-bonded Turntrans-76.969.8168.5-63.1-160.3144.5174.9-10.5112.7E245R242-E245 WeakPolarHBondContact CD-OE2 3.48Å; R242-E245 WeakPolarHBondContact CG-OE2 3.37Å; R242-E245 IonicContact CZ-OE1 3.58Å; R242-E245 IonicContact CZ-OE2 2.86Å; R242-E245 VanDerWaalsContact NE-CD 3.27Å; R242-E245 IonicContact NE-OE1 2.91Å; R242-E245 PolarHBondContact NE-OE1 2.84Å; R242-E245 IonicContact NE-OE2 3.12Å; R242-E245 PolarHBondContact NE-OE2 2.89Å; R242-E245 IonicContact NH2-OE1 3.8Å; R242-E245 PolarHBondContact NH2-OE1 3.07Å; R242-E245 VanDerWaalsContact NH2-OE1 3.09Å; R242-E245 IonicContact NH2-OE2 3.38Å
243T30.9Very low30.9Very low113 Ų113141.1 Ų141.169%0.69370%0.702SS**THydrogen-bonded Turntrans-146.75.316390000114.5E241E241-T243 VanDerWaalsContact C-N 3.27Å; E241-T243 PolarHBondContact O-N 2.63Å
244L30.9Very low30.9Very low155 Ų155138.4 Ų138.481%0.81269%0.686SS**SBendtrans-109-16.2166.4-86.1157.9000112.8G246L244-G246 VanDerWaalsContact C-N 3.29Å; L244-G246 PolarHBondContact O-N 2.94Å
245E32.9Very low30.6Very low101 Ų101135 Ų13547%0.47268%0.676SS.*THydrogen-bonded Turntrans-58.489151.4-66.3175-179.100108.5R242R242-E245 WeakPolarHBondContact CD-OE2 3.48Å; R242-E245 WeakPolarHBondContact CG-OE2 3.37Å; R242-E245 IonicContact CZ-OE1 3.58Å; R242-E245 IonicContact CZ-OE2 2.86Å; R242-E245 VanDerWaalsContact NE-CD 3.27Å; R242-E245 IonicContact NE-OE1 2.91Å; R242-E245 PolarHBondContact NE-OE1 2.84Å; R242-E245 IonicContact NE-OE2 3.12Å; R242-E245 PolarHBondContact NE-OE2 2.89Å; R242-E245 IonicContact NH2-OE1 3.8Å; R242-E245 PolarHBondContact NH2-OE1 3.07Å; R242-E245 VanDerWaalsContact NH2-OE1 3.09Å; R242-E245 IonicContact NH2-OE2 3.38Å
246G31.7Very low30.3Very low56 Ų56134.9 Ų134.958%0.57768%0.681SS**THydrogen-bonded Turntrans176.5-26.5178.900000120.6L244L244-G246 VanDerWaalsContact C-N 3.29Å; L244-G246 PolarHBondContact O-N 2.94Å
247T29.5Very low30Very low103 Ų103134.2 Ų134.263%0.63268%0.682SS**SBendtrans-128.4-2.4-169.836.70000117
248Y28Very low29.9Very low213 Ų213126.2 Ų126.284%0.83567%0.67SS**SBendtrans-90.2-14.1175.7-102.5-96.5000114.7
249T30.7Very low29.7Very low131 Ų131127.9 Ų127.980%0.80467%0.671SS**THydrogen-bonded Turntrans-94.14.8-171.442.60000115.7
250Q31.2Very low29.3Very low133 Ų133127.6 Ų127.662%0.62167%0.669SS**THydrogen-bonded Turntrans-1050.9-178.2-112174.23.100115.7T282 N283 N284Q250-T282 VanDerWaalsContact O-CB 3.27Å; Q250-T282 WeakPolarHBondContact O-CB 3.5Å; Q250-N283 CarbonylContact O-C 3.2Å; Q250-N283 VanDerWaalsContact O-CA 3.32Å; Q250-N283 WeakPolarHBondContact O-CA 3.25Å; Q250-N283 PolarHBondContact O-N 3.1Å; Q250-N284 PolarHBondContact O-N 3.47Å
251N28.6Very low29.2Very low48 Ų48121.4 Ų121.426%0.25766%0.66SS.*  trans-10420.3-160.2-58.9-16.5000116.7N284N251-N284 PolarHBondContact O-OD1 3.24Å; N251-N284 VanDerWaalsContact O-OD1 3.13Å; N251-N284 WeakPolarHBondContact OD1-CA 3.3Å; N251-N284 PolarHBondContact OD1-N 2.84Å
252L32.6Very low28.9Very low154 Ų154118.2 Ų118.281%0.80665%0.649SS**SBendtrans-140.767-157.6-114.8171.4000116.7
253K29.6Very low28.6Very low146 Ų146116.3 Ų116.364%0.63565%0.654SS**SBendtrans-170.6-32.1170.4-107.4152.8167.6-168.10116.8N280 N281 T282K253-N280 PolarHBondContact NZ-O 3.37Å; K253-N281 WeakPolarHBondContact CD-O 3.26Å; K253-T282 WeakPolarHBondContact CA-OG1 3.45Å; K253-T282 HydrophobicContact CB-CG2 3.71Å; K253-T282 WeakPolarHBondContact CB-OG1 3.34Å; K253-T282 HydrophobicContact CD-CG2 3.83Å; K253-T282 HydrophobicContact CG-CG2 4.36Å; K253-T282 PolarHBondContact N-OG1 3.45Å
254T28.2Very low28.4Very low38 Ų38115.5 Ų115.523%0.23365%0.653CS.*  trans-133.7172-164.889.20000116N281 T282 N283T254-N281 VanDerWaalsContact CG2-CA 3.47Å; T254-N281 HydrophobicContact CG2-CB 3.8Å; T254-N281 VanDerWaalsContact CG2-OD1 3.27Å; T254-N281 WeakPolarHBondContact CG2-OD1 3.38Å; T254-T282 PolarHBondContact N-OG1 2.81Å; T254-T282 PolarHBondContact OG1-O 2.85Å; T254-N283 PolarHBondContact O-OD1 3.37Å; T254-N283 VanDerWaalsContact OG1-CG 3.28Å; T254-N283 PolarHBondContact OG1-ND2 3.19Å; T254-N283 PolarHBondContact OG1-OD1 2.84Å
255G26.6Very low28.2Very low56 Ų56113.2 Ų113.258%0.57764%0.642SS**  trans68.546.8-176.200000111
256N25.3Very low27.9Very low161 Ų161115.9 Ų115.986%0.86166%0.659SS**  66.54869.1-155.646.8000114
257T28Very low27.6Very low135 Ų135120.6 Ų120.683%0.82867%0.67SS**  trans-149.6134.8158.744.70000110.1
258G26Very low27.6Very low64 Ų64120.7 Ų120.766%0.6666%0.663SS**  trans90.269.5171.800000115.2
259F26.3Very low27.6Very low182 Ų182116 Ų11680%0.79866%0.658SS**  63.5115.186.9-76.2-75.9000117.3
260L25.5Very low27.3Very low119 Ų119116 Ų11662%0.62365%0.653SS**  trans68.1129.4143.9-63.9163.8000119.2K402L260-K402 PolarHBondContact O-NZ 3.47Å
261C27.3Very low27.2Very low99 Ų99113.8 Ų113.867%0.66965%0.653SS**  cis-127.5150.98.4-65.70000108.8
262N25Very low27.1Very low124 Ų124118.9 Ų118.966%0.66368%0.675SS**  38121.680.7-67.3-3.3000112.5
263T26.8Very low26.9Very low111 Ų111119.2 Ų119.268%0.68167%0.67SS**  -135.972.265.743.20000115.2N265T263-N265 PolarHBondContact O-N 2.92Å
264S26Very low26.7Very low96 Ų96117.3 Ų117.367%0.67167%0.671SS**SBendtrans-60.2123.4138.547.30000107.2
265N26.5Very low26.7Very low107 Ų107121 Ų12157%0.57269%0.689SS**  trans7282.6-163.9-52.4-42.8000116.3T263 H268T263-N265 PolarHBondContact O-N 2.92Å; N265-H268 PolarHBondContact OD1-CD2 2.82Å
266L27.1Very low26.7Very low158 Ų158126.2 Ų126.283%0.82770%0.699SS**SBend-111.428.1126.3-126.9176.1000111.7
267L25.5Very low26.8Very low155 Ų155122.5 Ų122.581%0.81269%0.685SS**SBendtrans-13741.3173.3-130177.5000113.2
268H28.8Very low26.8Very low104 Ų104123.5 Ų123.548%0.48168%0.679SS.*  trans-143.7152.4155.5-88.3-50.2000107.6N265 N270N265-H268 PolarHBondContact OD1-CD2 2.82Å; H268-N270 PolarHBondContact CE1-O 3.33Å; H268-N270 VanDerWaalsContact CE1-O 3.23Å; H268-N270 PolarHBondContact ND1-O 3.48Å; H268-N270 VanDerWaalsContact ND1-O 3.08Å
269P28Very low27Very low115 Ų115125.9 Ų125.975%0.74768%0.677SS**  cis-77.1158.810.1-12.630.6000113.3
270N24.4Very low27.2Very low130 Ų130121.7 Ų121.770%0.69566%0.663SS**SBendcis-123.2152.426.9-59.7-63.9000113.6H268H268-N270 PolarHBondContact CE1-O 3.33Å; H268-N270 VanDerWaalsContact CE1-O 3.23Å; H268-N270 PolarHBondContact ND1-O 3.48Å; H268-N270 VanDerWaalsContact ND1-O 3.08Å
271S28.8Very low27.4Very low88 Ų88120.8 Ų120.862%0.61566%0.659SS**  trans54.5136.4146.456.80000120.2
272E27.4Very low27.4Very low155 Ų155118 Ų11872%0.72464%0.639SS**  cis-178.1174.7-11.4-129176.4166.300108.7
273F27.7Very low27.6Very low160 Ų160115.9 Ų115.970%0.70263%0.628SS**  trans55.1104.3171.3-63.2-75.6000117.3
274T26.3Very low27.7Very low106 Ų106113.8 Ų113.865%0.6561%0.612SS**  44.7122.774.975.20000113.7
275N27.8Very low27.7Very low116 Ų116116.6 Ų116.662%0.6261%0.613SS**  -165.1152.657.5-84.6-76.2000113.3
276Q26.6Very low27.7Very low165 Ų165116.4 Ų116.477%0.77162%0.615SS**  trans53138.2132.8-60175.73.700120.1
277C26.2Very low27.7Very low84 Ų84114.8 Ų114.857%0.56861%0.612SS**  cis-169.9157.24.3-120.30000112.3
278H29.7Very low27.8Very low155 Ų155111.8 Ų111.872%0.71860%0.604SS**  trans64.4144.6150.4-60.5-47.5000119.8
279D29.9Very low27.7Very low115 Ų115114 Ų11462%0.61562%0.619SS**  cis-167.2155.1-9.3-115.511.4000114.1
280N30.4Very low27.8Very low94 Ų94113.9 Ų113.950%0.50362%0.621SS.*  trans75.4124.4139.8-65.4-30.4000126.2K253K253-N280 PolarHBondContact NZ-O 3.37Å
281N28.5Very low27.9Very low100 Ų100113.8 Ų113.854%0.53562%0.62SS.*  73.8152.4115.8-50.8-13.1000125.5K253 T254K253-N281 WeakPolarHBondContact CD-O 3.26Å; T254-N281 VanDerWaalsContact CG2-CA 3.47Å; T254-N281 HydrophobicContact CG2-CB 3.8Å; T254-N281 VanDerWaalsContact CG2-OD1 3.27Å; T254-N281 WeakPolarHBondContact CG2-OD1 3.38Å
282T29.1Very low27.9Very low41 Ų41116.5 Ų116.525%0.25262%0.624SS.*  trans-163.6176.8-173.2500000111Q250 K253 T254Q250-T282 VanDerWaalsContact O-CB 3.27Å; Q250-T282 WeakPolarHBondContact O-CB 3.5Å; K253-T282 WeakPolarHBondContact CA-OG1 3.45Å; K253-T282 HydrophobicContact CB-CG2 3.71Å; K253-T282 WeakPolarHBondContact CB-OG1 3.34Å; K253-T282 HydrophobicContact CD-CG2 3.83Å; K253-T282 HydrophobicContact CG-CG2 4.36Å; K253-T282 PolarHBondContact N-OG1 3.45Å; T254-T282 PolarHBondContact N-OG1 2.81Å; T254-T282 PolarHBondContact OG1-O 2.85Å
283N29.1Very low27.8Very low79 Ų79117 Ų11742%0.42262%0.623SS.*  -169.1131.9126.6-99.3-8.2000112Q250 T254Q250-N283 CarbonylContact O-C 3.2Å; Q250-N283 VanDerWaalsContact O-CA 3.32Å; Q250-N283 WeakPolarHBondContact O-CA 3.25Å; Q250-N283 PolarHBondContact O-N 3.1Å; T254-N283 PolarHBondContact O-OD1 3.37Å; T254-N283 VanDerWaalsContact OG1-CG 3.28Å; T254-N283 PolarHBondContact OG1-ND2 3.19Å; T254-N283 PolarHBondContact OG1-OD1 2.84Å
284N27.1Very low27.7Very low67 Ų67116.5 Ų116.536%0.35863%0.627SS.*  67.3134.285.8-88.4-25.6000112.5Q250 N251Q250-N284 PolarHBondContact O-N 3.47Å; N251-N284 PolarHBondContact O-OD1 3.24Å; N251-N284 VanDerWaalsContact O-OD1 3.13Å; N251-N284 WeakPolarHBondContact OD1-CA 3.3Å; N251-N284 PolarHBondContact OD1-N 2.84Å
285F26.2Very low27.7Very low155 Ų155116.3 Ų116.368%0.6863%0.63SS**  cis-173.9-153.51.8-175.5-105.8000106.9
286V27.1Very low27.7Very low103 Ų103118.6 Ų118.662%0.62464%0.643SS**  trans66.4133.8152.5-108.60000124.4
287T27Very low27.7Very low124 Ų124116.6 Ų116.676%0.76165%0.646SS**  trans72.4149.2138.453.20000122.5
288S27.6Very low27.8Very low91 Ų91118 Ų11864%0.63666%0.657SS**  cis-171154.8-12.4510000115
289N26.8Very low27.9Very low152 Ų152119.8 Ų119.881%0.81366%0.663SS**  trans42.8115.1138.8-60.3-11000121.5
290S29.9Very low27.7Very low112 Ų112122.9 Ų122.978%0.78368%0.678SS**  174.1154.1129.541.30000110.9
291N27.6Very low27.6Very low127 Ų127126.1 Ų126.168%0.67969%0.694SS**  cis-162.8124.9-22.7-119.9-54.5000109.1
292Q27Very low27.6Very low146 Ų146131.7 Ų131.768%0.68271%0.708SS**  trans65.3163.4157.9-52.1170.445.300115.4
293K26.8Very low27.5Very low164 Ų164134.8 Ų134.871%0.71374%0.738SS**  cis-152.1140.72.7-145.2158.4-170.1146.50111.8
294L24.8Very low27.5Very low151 Ų151135.3 Ų135.379%0.79175%0.747SS**  trans-1.7128.9154.3-64.9150.1000118.4
295S25.8Very low27.7Very low102 Ų102137.3 Ų137.371%0.71377%0.767SS**  167.7124.3105.8-70.10000114
296N29.5Very low27.9Very low164 Ų164138.7 Ų138.788%0.87777%0.769SS**  trans139.9109.9140.4-71.5-25.9000113.9
297S26.8Very low28.1Very low122 Ų122139.6 Ų139.685%0.85377%0.766SS**  trans-86.6130.6173.852.60000112.3
298S27.8Very low28.5Very low113 Ų113139.2 Ų139.279%0.7976%0.759SS**  trans-163.1-17.7165.858.30000117.4
299K30.2Very low28.8Very low194 Ų194140.3 Ų140.384%0.84376%0.761SS**  trans-95.519.6-168-79.2-161.7172.4-166.90117.5I301K299-I301 PolarHBondContact O-N 2.89Å; K299-I301 VanDerWaalsContact O-N 3.13Å
300L26.6Very low29Very low179 Ų179140.6 Ų140.694%0.93776%0.756SS**  trans-80.490.3169.5-91.3171.3000110.4
301I29.1Very low29.4Very low163 Ų163142.4 Ų142.484%0.83676%0.757SS**  trans-81.4137.7170.2-61.4-178.8000109.2K299K299-I301 PolarHBondContact O-N 2.89Å; K299-I301 VanDerWaalsContact O-N 3.13Å
302R28Very low29.8Very low217 Ų217141.7 Ų141.782%0.81976%0.756SS**  trans-88.2110.2-166.8-175.3-169-159.3178.76.6111.3S304R302-S304 PolarHBondContact O-N 3.11Å
303A25.9Very low30.3Very low106 Ų106142.2 Ų142.288%0.87676%0.764SS**  trans-63.2125.4162.100000109.6
304S29.8Very low30.6Very low89 Ų89139.3 Ų139.362%0.62276%0.764SS**  trans-130119.8-179.152.80000112.6R302R302-S304 PolarHBondContact O-N 3.11Å
305S31.4Very low31Very low110 Ų110139.6 Ų139.677%0.76977%0.766SS**  trans55.290.5162.752.50000117.7
306Y31.5Very low31.7Very low184 Ų184140.1 Ų140.172%0.72277%0.77SS**  trans-74.2134.4143.2-71.1-79.2000109.3
307Q30.2Very low32Very low121 Ų121139.8 Ų139.857%0.56577%0.768SS**  trans-137.187173.2-174.281.165.300108.4Q839Q307-Q839 VanDerWaalsContact CD-NE2 3.25Å
308L36.4Very low32.8Very low117 Ų117142.9 Ų142.961%0.61377%0.769SS**  trans-90.8127.3172.7-69.1173.4000109.6
309V32.8Very low33.4Very low114 Ų114146.9 Ų146.969%0.69178%0.776SS**  trans-95.3127.8171.1178.60000107.3
310F31.6Very low33.6Very low158 Ų158145.4 Ų145.469%0.69378%0.775SS**  trans-96.6107.1174.8-63.3-84.1000109.3V312F310-V312 HydrophobicContact CB-CG2 4.21Å; F310-V312 PolarHBondContact O-N 2.96Å
311D37.1Very low34.3Very low150 Ų150144 Ų14480%0.80277%0.769SS**  trans-70.797.1162.8-81.9-32.9000108.6D313D311-D313 PolarHBondContact O-N 2.92Å
312V36.1Very low34.6Very low111 Ų111145.8 Ų145.867%0.67377%0.765SS**  trans-91.884.8169.6-175.40000107.5F310 S314F310-V312 HydrophobicContact CB-CG2 4.21Å; F310-V312 PolarHBondContact O-N 2.96Å; V312-S314 PolarHBondContact O-N 2.89Å; V312-S314 PolarHBondContact O-OG 3.1Å
313D38.1Very low35Very low157 Ų157142.1 Ų142.184%0.8476%0.762SS**  trans-52.8112175.1-103.4-31.3000109.6D311D311-D313 PolarHBondContact O-N 2.92Å
314S33.5Very low35.4Very low103 Ų103143.7 Ų143.772%0.7276%0.755SS**  trans-95.5117-166.7-63.10000111.5V312 S316V312-S314 PolarHBondContact O-N 2.89Å; V312-S314 PolarHBondContact O-OG 3.1Å; S314-S316 PolarHBondContact O-N 3.13Å
315D33.5Very low35.6Very low157 Ų157149.1 Ų149.184%0.8477%0.771SS**  trans12.385.7165.4-64.8-33.4000117.7
316S40.9Very low35.8Very low114 Ų114148.4 Ų148.480%0.79776%0.761SS**  trans-104.591.516269.40000111.2S314 E318S314-S316 PolarHBondContact O-N 3.13Å; S316-E318 PolarHBondContact O-N 3.43Å
317N35.3Very low36.2Very low156 Ų156147.1 Ų147.183%0.83476%0.762SS**  trans-65.9109.4169.4-66.7-87.6000109.9
318E42.7Very low36.6Very low187 Ų187148.6 Ų148.687%0.87477%0.769SS**  trans-125.9146.4158.3-71.1-160.5159.900110.1S316S316-E318 PolarHBondContact O-N 3.43Å
319E40.4Very low36.7Very low198 Ų198147.2 Ų147.293%0.92577%0.765SS**  trans-82.2153-158.5-64-176.3115.600114.2D321E319-D321 PolarHBondContact O-N 2.84Å
320I35.4Very low37Very low162 Ų162144.1 Ų144.183%0.83175%0.749SS**  trans-70.8111.9172.4-56.9164.3000109.3
321D40.4Very low37.2Very low150 Ų150140.9 Ų140.980%0.80274%0.738SS**  trans-120158.5149.4-153.92.6000111.1E319E319-D321 PolarHBondContact O-N 2.84Å
322R36.1Very low37.2Very low200 Ų200140.6 Ų140.676%0.75573%0.729SS**  trans-105.1142.2-152.5-54.2169.8-170.1169.43.6111.2
323N36.9Very low37.3Very low140 Ų140139.9 Ų139.975%0.74973%0.725SS**  171.9124.1112.5-77.8-34.2000111
324D33.8Very low37.3Very low140 Ų140137.2 Ų137.275%0.74971%0.71SS**SBendtrans61155.5152.1-52.6-33.2000121.5V326D324-V326 PolarHBondContact O-N 2.88Å
325E34Very low37.8Very low203 Ų203136.1 Ų136.195%0.94970%0.696SS**  trans55.740.1171.9-61.8-160.9138.200119.6
326V36Very low38.5Very low94 Ų94133.7 Ų133.757%0.5768%0.682SS**  trans-126.292.8166.8-165.10000112.2D324 T329 S330D324-V326 PolarHBondContact O-N 2.88Å; V326-T329 WeakPolarHBondContact CG1-OG1 3.44Å; V326-S330 WeakPolarHBondContact CG1-OG 3.41Å
327H38.5Very low38.7Very low158 Ų158131.4 Ų131.473%0.73167%0.667SS**SBendtrans-140.7-7179.1-131.6-55.6000116.8I331H327-I331 WeakPolarHBondContact O-CD1 3.26Å
328E38.1Very low39.3Very low151 Ų151128.6 Ų128.671%0.70665%0.651SS**SBendtrans-111-29.1-179.1-167.8173.8-158.700113.2
329T39.7Very low39.6Very low89 Ų89124.3 Ų124.355%0.54663%0.63SS.*Hα-helixtrans-73.4-47.2173.440.30000112V326 I331 K332 T333V326-T329 WeakPolarHBondContact CG1-OG1 3.44Å; T329-I331 VanDerWaalsContact C-N 3.27Å; T329-I331 PolarHBondContact O-N 2.85Å; T329-K332 WeakPolarHBondContact O-CB 3.3Å; T329-K332 PolarHBondContact O-N 2.97Å; T329-T333 PolarHBondContact O-N 3.38Å; T329-T333 PolarHBondContact O-OG1 3.4Å
330S38.7Very low40.2Very low48 Ų48118.7 Ų118.734%0.33661%0.606SS.*Hα-helixtrans-55.3-40.7-177.9-43.50000112.8V326 T333 I334V326-S330 WeakPolarHBondContact CG1-OG 3.41Å; S330-T333 PolarHBondContact O-N 3.29Å; S330-I334 WeakPolarHBondContact O-CB 3.34Å; S330-I334 WeakPolarHBondContact O-CD1 3.39Å; S330-I334 WeakPolarHBondContact O-CG1 3.28Å; S330-I334 PolarHBondContact O-N 1.8Å
331I36Very low41.2Very low90 Ų90117.4 Ų117.446%0.46260%0.596SS.*Hα-helixtrans-67.4-36.5179.2-60.9175.8000111H327 T329 N335H327-I331 WeakPolarHBondContact O-CD1 3.26Å; T329-I331 VanDerWaalsContact C-N 3.27Å; T329-I331 PolarHBondContact O-N 2.85Å; I331-N335 VanDerWaalsContact O-CB 3.29Å; I331-N335 WeakPolarHBondContact O-CB 3.35Å; I331-N335 PolarHBondContact O-N 3.49Å; I331-N335 PolarHBondContact O-OD1 2.84Å
332K37.2Very low41.6Very low144 Ų144114 Ų11463%0.62658%0.582SS**Hα-helixtrans-67.2-43.1174.1-71.8-179.7178.4175.90111.7T329 L336T329-K332 WeakPolarHBondContact O-CB 3.3Å; T329-K332 PolarHBondContact O-N 2.97Å; K332-L336 VanDerWaalsContact O-CB 3.29Å; K332-L336 WeakPolarHBondContact O-CB 3.41Å; K332-L336 PolarHBondContact O-N 2.83Å
333T38.2Very low42.1Very low96 Ų96109.4 Ų109.459%0.58956%0.564SS**Hα-helixtrans-64.9-43.7177.4-49.90000111.7T329 S330 L336 S337T329-T333 PolarHBondContact O-N 3.38Å; T329-T333 PolarHBondContact O-OG1 3.4Å; S330-T333 PolarHBondContact O-N 3.29Å; T333-L336 PolarHBondContact O-N 2.87Å; T333-S337 PolarHBondContact O-N 3.33Å; T333-S337 PolarHBondContact O-OG 3.32Å
334I38.7Very low42.8Very low102 Ų102105 Ų10552%0.52355%0.547SS..Hα-helixtrans-65-44.7177.4-69.4164.2000111.1S330 L336 S337 L338S330-I334 WeakPolarHBondContact O-CB 3.34Å; S330-I334 WeakPolarHBondContact O-CD1 3.39Å; S330-I334 WeakPolarHBondContact O-CG1 3.28Å; S330-I334 PolarHBondContact O-N 1.8Å; I334-L336 VanDerWaalsContact C-N 3.32Å; I334-L336 PolarHBondContact O-N 2.8Å; I334-S337 PolarHBondContact O-N 2.94Å; I334-S337 PolarHBondContact O-OG 3.44Å; I334-S337 VanDerWaalsContact O-OG 3.13Å; I334-L338 VanDerWaalsContact O-CB 3.23Å; I334-L338 WeakPolarHBondContact O-CB 3.07Å; I334-L338 PolarHBondContact O-N 3.1Å
335N43.2Very low43.6Very low80 Ų80103.1 Ų103.143%0.42853%0.532SS..Hα-helixtrans-65.3-37177.4-73.31.5000111.8I331 F339I331-N335 VanDerWaalsContact O-CB 3.29Å; I331-N335 WeakPolarHBondContact O-CB 3.35Å; I331-N335 PolarHBondContact O-N 3.49Å; I331-N335 PolarHBondContact O-OD1 2.84Å; N335-F339 WeakPolarHBondContact O-CB 3.46Å; N335-F339 PolarHBondContact O-N 2.87Å
336L48.1Very low44.2Very low105 Ų10596.9 Ų96.955%0.5551%0.511SS..Hα-helixtrans-71.6-40.5177.6-175.461.1000112.2K332 T333 I334 N340K332-L336 VanDerWaalsContact O-CB 3.29Å; K332-L336 WeakPolarHBondContact O-CB 3.41Å; K332-L336 PolarHBondContact O-N 2.83Å; T333-L336 PolarHBondContact O-N 2.87Å; I334-L336 VanDerWaalsContact C-N 3.32Å; I334-L336 PolarHBondContact O-N 2.8Å; L336-N340 VanDerWaalsContact O-CB 3.3Å; L336-N340 WeakPolarHBondContact O-CB 3.48Å; L336-N340 PolarHBondContact O-N 2.82Å; L336-N340 PolarHBondContact O-ND2 3.13Å
337S46.4Very low44.7Very low67 Ų6795.7 Ų95.747%0.46950%0.501SS..Hα-helixtrans-67.6-40.5175.466.80000111.7T333 I334 N340 Q341T333-S337 PolarHBondContact O-N 3.33Å; T333-S337 PolarHBondContact O-OG 3.32Å; I334-S337 PolarHBondContact O-N 2.94Å; I334-S337 PolarHBondContact O-OG 3.44Å; I334-S337 VanDerWaalsContact O-OG 3.13Å; S337-N340 PolarHBondContact O-N 2.86Å; S337-Q341 VanDerWaalsContact O-CB 3.27Å; S337-Q341 WeakPolarHBondContact O-CB 3.48Å; S337-Q341 PolarHBondContact O-N 3.03Å
338L46.5Very low45.2Very low97 Ų9793.7 Ų93.751%0.50849%0.492SS..Hα-helixtrans-65.1-44.5175.7-16572.9000111.3I334 N340 Q341 T342I334-L338 VanDerWaalsContact O-CB 3.23Å; I334-L338 WeakPolarHBondContact O-CB 3.07Å; I334-L338 PolarHBondContact O-N 3.1Å; L338-N340 PolarHBondContact O-N 3.03Å; L338-Q341 PolarHBondContact O-N 3.21Å; L338-T342 PolarHBondContact O-N 2.89Å; L338-T342 PolarHBondContact O-OG1 2.73Å; L338-T342 VanDerWaalsContact O-OG1 3.1Å
339F49.9Very low45.4Very low97 Ų9790.3 Ų90.343%0.42548%0.478SS..Hα-helixtrans-60.9-44.8174.5-179.2-98.6000112N335 Q341 T342 R343N335-F339 WeakPolarHBondContact O-CB 3.46Å; N335-F339 PolarHBondContact O-N 2.87Å; F339-Q341 VanDerWaalsContact C-N 3.33Å; F339-Q341 PolarHBondContact O-N 3.32Å; F339-T342 PolarHBondContact O-N 3.26Å; F339-R343 VanDerWaalsContact O-CB 3.28Å; F339-R343 WeakPolarHBondContact O-CB 3.32Å; F339-R343 PolarHBondContact O-N 3.4Å
340N52.9Low45.6Very low80 Ų8091.2 Ų91.243%0.42848%0.479SS..Hα-helixtrans-64.2-37.6175.9-72.7-10.1000111.9L336 S337 L338 A344L336-N340 VanDerWaalsContact O-CB 3.3Å; L336-N340 WeakPolarHBondContact O-CB 3.48Å; L336-N340 PolarHBondContact O-N 2.82Å; L336-N340 PolarHBondContact O-ND2 3.13Å; S337-N340 PolarHBondContact O-N 2.86Å; L338-N340 PolarHBondContact O-N 3.03Å; N340-A344 VanDerWaalsContact O-CB 3.23Å; N340-A344 WeakPolarHBondContact O-CB 3.49Å; N340-A344 PolarHBondContact O-N 3.5Å
341Q54.9Low45.6Very low134 Ų13494 Ų9463%0.62649%0.486SS*.Hα-helixtrans-67.8-42.1176-170.2176.528.100111.8S337 L338 F339 A344 K345S337-Q341 VanDerWaalsContact O-CB 3.27Å; S337-Q341 WeakPolarHBondContact O-CB 3.48Å; S337-Q341 PolarHBondContact O-N 3.03Å; L338-Q341 PolarHBondContact O-N 3.21Å; F339-Q341 VanDerWaalsContact C-N 3.33Å; F339-Q341 PolarHBondContact O-N 3.32Å; Q341-A344 PolarHBondContact O-N 2.9Å; Q341-K345 WeakPolarHBondContact O-CB 3.28Å; Q341-K345 PolarHBondContact O-N 3.45Å
342T49.9Very low46Very low80 Ų8094.2 Ų94.249%0.49148%0.484SS..Hα-helixtrans-64.4-47.2172.9-58.10000110.9L338 F339 A344 K345 S346L338-T342 PolarHBondContact O-N 2.89Å; L338-T342 PolarHBondContact O-OG1 2.73Å; L338-T342 VanDerWaalsContact O-OG1 3.1Å; F339-T342 PolarHBondContact O-N 3.26Å; T342-A344 VanDerWaalsContact C-N 3.31Å; T342-A344 PolarHBondContact O-N 2.95Å; T342-K345 PolarHBondContact O-N 3.07Å; T342-S346 WeakPolarHBondContact O-CB 3.37Å; T342-S346 PolarHBondContact O-N 2.88Å; T342-S346 PolarHBondContact O-OG 3.45Å; T342-S346 VanDerWaalsContact O-OG 3.13Å
343R46.9Very low46.1Very low102 Ų10293.1 Ų93.139%0.38548%0.48SS..Hα-helixtrans-57.4-43.3175.6-171.3179.4-176.1-168.82.4111.1D35 F339 I347D35-R343 IonicContact OD2-CZ 2.93Å; D35-R343 VanDerWaalsContact OD2-CZ 3.3Å; D35-R343 IonicContact OD2-NH1 3.96Å; D35-R343 PolarHBondContact OD2-NH1 3.41Å; D35-R343 IonicContact OD2-NH2 3.5Å; D35-R343 PolarHBondContact OD2-NH2 2.9Å; F339-R343 VanDerWaalsContact O-CB 3.28Å; F339-R343 WeakPolarHBondContact O-CB 3.32Å; F339-R343 PolarHBondContact O-N 3.4Å; R343-I347 HydrophobicContact CG-CD1 3.93Å; R343-I347 WeakPolarHBondContact O-CB 3.29Å; R343-I347 VanDerWaalsContact O-CG1 3.23Å; R343-I347 WeakPolarHBondContact O-CG1 3.47Å; R343-I347 PolarHBondContact O-N 3.13Å
344A51.8Low46.3Very low47 Ų4793.3 Ų93.339%0.38847%0.474SS..Hα-helixtrans-64.8-45.2175.300000112.6N340 Q341 T342 I347 Q348N340-A344 VanDerWaalsContact O-CB 3.23Å; N340-A344 WeakPolarHBondContact O-CB 3.49Å; N340-A344 PolarHBondContact O-N 3.5Å; Q341-A344 PolarHBondContact O-N 2.9Å; T342-A344 VanDerWaalsContact C-N 3.31Å; T342-A344 PolarHBondContact O-N 2.95Å; A344-I347 PolarHBondContact O-N 3.24Å; A344-Q348 VanDerWaalsContact O-CB 3.29Å; A344-Q348 WeakPolarHBondContact O-CB 3.33Å; A344-Q348 PolarHBondContact O-N 3.44Å
345K50.6Low46.6Very low101 Ų10194.2 Ų94.244%0.43948%0.476SS..Hα-helixtrans-64.1-40.6176.7-155.6175.9-175.7-175.50110.8Q341 T342 Q348 N349 E411Q341-K345 WeakPolarHBondContact O-CB 3.28Å; Q341-K345 PolarHBondContact O-N 3.45Å; T342-K345 PolarHBondContact O-N 3.07Å; K345-Q348 PolarHBondContact O-N 3.38Å; K345-N349 WeakPolarHBondContact O-CB 3.23Å; K345-N349 VanDerWaalsContact O-CG 3.23Å; K345-N349 PolarHBondContact O-N 2.93Å; K345-N349 PolarHBondContact O-OD1 3.29Å; K345-E411 IonicContact NZ-OE2 2.81Å; K345-E411 PolarHBondContact NZ-OE2 2.91Å
346S45.1Very low46.5Very low72 Ų7293.5 Ų93.550%0.50347%0.472SS..Hα-helixtrans-64.2-42173.7-63.40000113.2T342 N349 L350T342-S346 WeakPolarHBondContact O-CB 3.37Å; T342-S346 PolarHBondContact O-N 2.88Å; T342-S346 PolarHBondContact O-OG 3.45Å; T342-S346 VanDerWaalsContact O-OG 3.13Å; S346-N349 PolarHBondContact O-N 3.13Å; S346-L350 WeakPolarHBondContact O-CB 3.37Å; S346-L350 PolarHBondContact O-N 3.17Å
347I46.7Very low46.2Very low70 Ų7094.8 Ų94.836%0.35947%0.47SS..Hα-helixtrans-67.3-40.3175.4-72.3168000110.8R343 A344 L350 F351R343-I347 HydrophobicContact CG-CD1 3.93Å; R343-I347 WeakPolarHBondContact O-CB 3.29Å; R343-I347 VanDerWaalsContact O-CG1 3.23Å; R343-I347 WeakPolarHBondContact O-CG1 3.47Å; R343-I347 PolarHBondContact O-N 3.13Å; A344-I347 PolarHBondContact O-N 3.24Å; I347-L350 PolarHBondContact O-N 3.32Å; I347-F351 HydrophobicContact CG2-CD2 3.65Å; I347-F351 HydrophobicContact CG2-CE2 3.54Å; I347-F351 VanDerWaalsContact O-CD2 3.24Å; I347-F351 WeakPolarHBondContact O-CD2 3.38Å; I347-F351 PolarHBondContact O-N 2.8Å
348Q49.3Very low46.1Very low116 Ų11699.1 Ų99.154%0.54248%0.477SS..Hα-helixtrans-62.5-43.4174.6-178176-9.700111.5A344 K345 F351 H352A344-Q348 VanDerWaalsContact O-CB 3.29Å; A344-Q348 WeakPolarHBondContact O-CB 3.33Å; A344-Q348 PolarHBondContact O-N 3.44Å; K345-Q348 PolarHBondContact O-N 3.38Å; Q348-F351 PolarHBondContact O-N 2.85Å; Q348-H352 PolarHBondContact O-N 3.34Å
349N43.1Very low46Very low79 Ų7998.1 Ų98.142%0.42247%0.473SS..Hα-helixtrans-63.9-41.1174.6-72.820.2000111.5K345 S346 F351 H352 F353K345-N349 WeakPolarHBondContact O-CB 3.23Å; K345-N349 VanDerWaalsContact O-CG 3.23Å; K345-N349 PolarHBondContact O-N 2.93Å; K345-N349 PolarHBondContact O-OD1 3.29Å; S346-N349 PolarHBondContact O-N 3.13Å; N349-F351 PolarHBondContact O-N 2.9Å; N349-H352 PolarHBondContact O-N 2.89Å; N349-F353 WeakPolarHBondContact O-CB 3.06Å; N349-F353 PolarHBondContact O-N 2.8Å
350L42.7Very low45.7Very low108 Ų10895.2 Ų95.257%0.56546%0.462SS*.Hα-helixtrans-62.6-41.4174.8-177.263.5000111.7S346 I347 F353 H354S346-L350 WeakPolarHBondContact O-CB 3.37Å; S346-L350 PolarHBondContact O-N 3.17Å; I347-L350 PolarHBondContact O-N 3.32Å; L350-F353 PolarHBondContact O-N 3Å; L350-H354 WeakPolarHBondContact O-CB 3.49Å; L350-H354 PolarHBondContact O-N 3.2Å
351F40.4Very low45.5Very low108 Ų10896.8 Ų96.847%0.47447%0.465SS..Hα-helixtrans-68.1-38.9174-81.2-60.8000112.8I347 Q348 N349 H354 H355I347-F351 HydrophobicContact CG2-CD2 3.65Å; I347-F351 HydrophobicContact CG2-CE2 3.54Å; I347-F351 VanDerWaalsContact O-CD2 3.24Å; I347-F351 WeakPolarHBondContact O-CD2 3.38Å; I347-F351 PolarHBondContact O-N 2.8Å; Q348-F351 PolarHBondContact O-N 2.85Å; N349-F351 PolarHBondContact O-N 2.9Å; F351-H354 PolarHBondContact O-N 3.35Å; F351-H355 WeakPolarHBondContact O-CB 3.45Å; F351-H355 PolarHBondContact O-N 2.81Å
352H44.3Very low45.4Very low93 Ų9395.7 Ų95.743%0.43146%0.463SS..Hα-helixtrans-62.3-44.7172-9131.8000111.4Q348 N349 H354 H355 N356Q348-H352 PolarHBondContact O-N 3.34Å; N349-H352 PolarHBondContact O-N 2.89Å; H352-H354 PolarHBondContact O-N 2.93Å; H352-H355 PolarHBondContact O-N 2.82Å; H352-N356 VanDerWaalsContact O-CB 3.26Å; H352-N356 WeakPolarHBondContact O-CB 3.3Å; H352-N356 PolarHBondContact O-N 3.01Å; H352-N356 PolarHBondContact O-ND2 3.07Å
353F38.3Very low45.5Very low121 Ų12197.6 Ų97.653%0.53147%0.466SS..Hα-helixtrans-60.1-45.9176.2-161.4-92.3000111.1N349 L350 Y357N349-F353 WeakPolarHBondContact O-CB 3.06Å; N349-F353 PolarHBondContact O-N 2.8Å; L350-F353 PolarHBondContact O-N 3Å; F353-Y357 HydrophobicContact CD1-CD2 4.04Å; F353-Y357 HydrophobicContact CD1-CE2 4.49Å; F353-Y357 AromaticContact CE1-CD2 3.62Å; F353-Y357 HydrophobicContact CE1-CD2 3.62Å; F353-Y357 AromaticContact CE1-CE2 3.63Å; F353-Y357 HydrophobicContact CE1-CE2 3.63Å; F353-Y357 HydrophobicContact CZ-CD2 4.22Å; F353-Y357 AromaticContact CZ-CE2 3.98Å; F353-Y357 HydrophobicContact CZ-CE2 3.98Å; F353-Y357 WeakPolarHBondContact O-CB 3.47Å; F353-Y357 PolarHBondContact O-N 3.06Å
354H42.6Very low45.7Very low101 Ų10195.7 Ų95.747%0.46846%0.463SS..Hα-helixtrans-65.4-40.9176.4-116.6-53.4000113.3L350 F351 H352 Y357 Y358L350-H354 WeakPolarHBondContact O-CB 3.49Å; L350-H354 PolarHBondContact O-N 3.2Å; F351-H354 PolarHBondContact O-N 3.35Å; H352-H354 PolarHBondContact O-N 2.93Å; H354-Y357 WeakPolarHBondContact O-CB 3.47Å; H354-Y357 PolarHBondContact O-N 3.24Å; H354-Y358 AromaticContact ND1-CE2 3.59Å; H354-Y358 VanDerWaalsContact O-CD2 3.23Å; H354-Y358 WeakPolarHBondContact O-CD2 3.4Å; H354-Y358 PolarHBondContact O-N 2.93Å
355H45.4Very low45.8Very low121 Ų12196.9 Ų96.956%0.5646%0.463SS*.Hα-helixtrans-67.5-46179.8-147.610.4000110.2F351 H352 Y357 Y358 D359F351-H355 WeakPolarHBondContact O-CB 3.45Å; F351-H355 PolarHBondContact O-N 2.81Å; H352-H355 PolarHBondContact O-N 2.82Å; H355-Y357 PolarHBondContact O-N 3.35Å; H355-Y358 PolarHBondContact O-N 3.35Å; H355-Y358 VanDerWaalsContact O-N 3.14Å; H355-D359 WeakPolarHBondContact O-CB 3.28Å; H355-D359 PolarHBondContact O-N 3.25Å
356N40.9Very low46.4Very low65 Ų6597.7 Ų97.735%0.34847%0.467SS..Hα-helixtrans-60.2-31.9172-67.7-13.7000112.2H352 N360H352-N356 VanDerWaalsContact O-CB 3.26Å; H352-N356 WeakPolarHBondContact O-CB 3.3Å; H352-N356 PolarHBondContact O-N 3.01Å; H352-N356 PolarHBondContact O-ND2 3.07Å; N356-N360 VanDerWaalsContact O-CB 3.23Å; N356-N360 WeakPolarHBondContact O-CB 3.38Å; N356-N360 PolarHBondContact O-N 3.02Å; N356-N360 PolarHBondContact O-ND2 3.1Å
357Y41.9Very low46.9Very low132 Ų13296.8 Ų96.852%0.51845%0.454SS..Hα-helixtrans-69.2-43.5173.7-124.4-90.1000112.2F353 H354 H355 F361F353-Y357 HydrophobicContact CD1-CD2 4.04Å; F353-Y357 HydrophobicContact CD1-CE2 4.49Å; F353-Y357 AromaticContact CE1-CD2 3.62Å; F353-Y357 HydrophobicContact CE1-CD2 3.62Å; F353-Y357 AromaticContact CE1-CE2 3.63Å; F353-Y357 HydrophobicContact CE1-CE2 3.63Å; F353-Y357 HydrophobicContact CZ-CD2 4.22Å; F353-Y357 AromaticContact CZ-CE2 3.98Å; F353-Y357 HydrophobicContact CZ-CE2 3.98Å; F353-Y357 WeakPolarHBondContact O-CB 3.47Å; F353-Y357 PolarHBondContact O-N 3.06Å; H354-Y357 WeakPolarHBondContact O-CB 3.47Å; H354-Y357 PolarHBondContact O-N 3.24Å; H355-Y357 PolarHBondContact O-N 3.35Å; Y357-F361 WeakPolarHBondContact O-CB 3.25Å; Y357-F361 PolarHBondContact O-N 3.36Å
358Y43.6Very low47.2Very low157 Ų15797.1 Ų97.162%0.61646%0.456SS*.Hα-helixtrans-69.2-40.9176.3-81.6-67.8000112.2H354 H355 F361 D362H354-Y358 AromaticContact ND1-CE2 3.59Å; H354-Y358 VanDerWaalsContact O-CD2 3.23Å; H354-Y358 WeakPolarHBondContact O-CD2 3.4Å; H354-Y358 PolarHBondContact O-N 2.93Å; H355-Y358 PolarHBondContact O-N 3.35Å; H355-Y358 VanDerWaalsContact O-N 3.14Å; Y358-F361 CarbonylContact O-C 3.57Å; Y358-F361 WeakPolarHBondContact O-CB 3.42Å; Y358-F361 PolarHBondContact O-N 2.73Å; Y358-F361 VanDerWaalsContact O-N 3.09Å; Y358-D362 PolarHBondContact O-N 2.84Å
359D44.6Very low47.7Very low77 Ų7798.3 Ų98.341%0.41246%0.461SS..Hα-helixtrans-67.1-38.1176-70.8-21.7000111.2H355 D362 H363H355-D359 WeakPolarHBondContact O-CB 3.28Å; H355-D359 PolarHBondContact O-N 3.25Å; D359-D362 PolarHBondContact O-N 2.88Å; D359-H363 WeakPolarHBondContact O-CB 3.49Å; D359-H363 PolarHBondContact O-N 2.87Å
360N44.9Very low48.5Very low36 Ų3698.9 Ų98.919%0.19346%0.461CS..Hα-helixtrans-62-41.5167.2-89.8-72.6000111.4N356 H363 I364N356-N360 VanDerWaalsContact O-CB 3.23Å; N356-N360 WeakPolarHBondContact O-CB 3.38Å; N356-N360 PolarHBondContact O-N 3.02Å; N356-N360 PolarHBondContact O-ND2 3.1Å; N360-H363 PolarHBondContact O-N 3.02Å; N360-I364 VanDerWaalsContact O-CB 3.31Å; N360-I364 WeakPolarHBondContact O-CB 3.27Å; N360-I364 WeakPolarHBondContact O-CD1 3.39Å; N360-I364 WeakPolarHBondContact O-CG1 3.35Å; N360-I364 PolarHBondContact O-N 2.8Å
361F48Very low49.1Very low113 Ų11394.5 Ų94.550%0.49644%0.439SS..Hα-helixtrans-65.1-39.4178.9-122.5-78.9000112.5Y357 Y358 I364 N365Y357-F361 WeakPolarHBondContact O-CB 3.25Å; Y357-F361 PolarHBondContact O-N 3.36Å; Y358-F361 CarbonylContact O-C 3.57Å; Y358-F361 WeakPolarHBondContact O-CB 3.42Å; Y358-F361 PolarHBondContact O-N 2.73Å; Y358-F361 VanDerWaalsContact O-N 3.09Å; F361-I364 PolarHBondContact O-N 2.62Å; F361-N365 VanDerWaalsContact O-CB 3.24Å; F361-N365 WeakPolarHBondContact O-CB 3.49Å; F361-N365 VanDerWaalsContact O-CG 3.22Å; F361-N365 PolarHBondContact O-N 2.83Å; F361-N365 PolarHBondContact O-ND2 3.44Å
362D52.5Low49.9Very low111 Ų11195 Ų9559%0.59444%0.443SS*.Hα-helixtrans-72.5-34174.5-92.52.2000112.1Y358 D359 K366Y358-D362 PolarHBondContact O-N 2.84Å; D359-D362 PolarHBondContact O-N 2.88Å; D362-K366 WeakPolarHBondContact O-CB 3.47Å; D362-K366 PolarHBondContact O-N 2.86Å
363H51.8Low50.6Low119 Ų11995.8 Ų95.855%0.55145%0.446SS*.Hα-helixtrans-65.2-41.3168.8-81.11.2000112.7D359 N360 F367D359-H363 WeakPolarHBondContact O-CB 3.49Å; D359-H363 PolarHBondContact O-N 2.87Å; N360-H363 PolarHBondContact O-N 3.02Å; H363-F367 WeakPolarHBondContact O-CB 3.42Å; H363-F367 PolarHBondContact O-N 3.42Å
364I51.2Low51.5Low63 Ų6394.5 Ų94.532%0.32345%0.445SS..Hα-helixtrans-67.4-47.5176-71.8164000110.4N360 F361 K366 F367 I368 L397N360-I364 VanDerWaalsContact O-CB 3.31Å; N360-I364 WeakPolarHBondContact O-CB 3.27Å; N360-I364 WeakPolarHBondContact O-CD1 3.39Å; N360-I364 WeakPolarHBondContact O-CG1 3.35Å; N360-I364 PolarHBondContact O-N 2.8Å; F361-I364 PolarHBondContact O-N 2.62Å; I364-K366 VanDerWaalsContact C-N 3.34Å; I364-K366 PolarHBondContact O-N 3.06Å; I364-F367 PolarHBondContact O-N 3.05Å; I364-I368 HydrophobicContact CG2-CD1 3.69Å; I364-I368 HydrophobicContact CG2-CG1 4.41Å; I364-I368 WeakPolarHBondContact O-CB 3.07Å; I364-I368 VanDerWaalsContact O-CG1 3.23Å; I364-I368 WeakPolarHBondContact O-CG1 3.47Å; I364-I368 PolarHBondContact O-N 2.94Å; I364-L397 HydrophobicContact CG1-CD2 4.43Å
365N53.9Low52Low72 Ų7294.3 Ų94.339%0.38545%0.446SS..Hα-helixtrans-59.7-43.3175.7-79.4-33000111.7F361 I368 H369F361-N365 VanDerWaalsContact O-CB 3.24Å; F361-N365 WeakPolarHBondContact O-CB 3.49Å; F361-N365 VanDerWaalsContact O-CG 3.22Å; F361-N365 PolarHBondContact O-N 2.83Å; F361-N365 PolarHBondContact O-ND2 3.44Å; N365-I368 PolarHBondContact O-N 2.88Å; N365-H369 WeakPolarHBondContact O-CB 3.38Å; N365-H369 PolarHBondContact O-N 2.83Å
366K64.3Low52.5Low118 Ų11893 Ų9351%0.51345%0.45SS..Hα-helixtrans-64.7-45.6175.4-178.9-177.4167.3-170.50111.5D362 I364 I368 H369 E370D362-K366 WeakPolarHBondContact O-CB 3.47Å; D362-K366 PolarHBondContact O-N 2.86Å; I364-K366 VanDerWaalsContact C-N 3.34Å; I364-K366 PolarHBondContact O-N 3.06Å; K366-I368 VanDerWaalsContact C-N 3.33Å; K366-I368 PolarHBondContact O-N 3.43Å; K366-H369 WeakPolarHBondContact O-CB 3.38Å; K366-H369 PolarHBondContact O-N 3.04Å; K366-H369 VanDerWaalsContact O-N 3.13Å; K366-E370 WeakPolarHBondContact CE-OE1 3.46Å; K366-E370 HydrophobicContact CG-CG 4.44Å; K366-E370 IonicContact NZ-OE1 3.18Å; K366-E370 WeakPolarHBondContact O-CG 3.27Å; K366-E370 PolarHBondContact O-N 3.35Å
367F54.3Low53.2Low52 Ų5296.5 Ų96.523%0.22847%0.465CS..Hα-helixtrans-63.2-38177.5179.3-102.7000112.1H363 I364 S371 I390H363-F367 WeakPolarHBondContact O-CB 3.42Å; H363-F367 PolarHBondContact O-N 3.42Å; I364-F367 PolarHBondContact O-N 3.05Å; F367-S371 WeakPolarHBondContact O-CB 3.19Å; F367-S371 PolarHBondContact O-N 2.94Å; F367-S371 PolarHBondContact O-OG 2.87Å; F367-I390 HydrophobicContact CE1-CG1 4.16Å; F367-I390 HydrophobicContact CE1-CG2 4.5Å; F367-I390 HydrophobicContact CZ-CB 4.42Å; F367-I390 HydrophobicContact CZ-CG1 3.91Å
368I52.6Low53.3Low78 Ų7894.2 Ų94.240%0.446%0.461SS..Hα-helixtrans-63.2-43.9171.6-73.7167.9000110.4I364 N365 K366 S371 H372I364-I368 HydrophobicContact CG2-CD1 3.69Å; I364-I368 HydrophobicContact CG2-CG1 4.41Å; I364-I368 WeakPolarHBondContact O-CB 3.07Å; I364-I368 VanDerWaalsContact O-CG1 3.23Å; I364-I368 WeakPolarHBondContact O-CG1 3.47Å; I364-I368 PolarHBondContact O-N 2.94Å; N365-I368 PolarHBondContact O-N 2.88Å; K366-I368 VanDerWaalsContact C-N 3.33Å; K366-I368 PolarHBondContact O-N 3.43Å; I368-S371 PolarHBondContact O-N 3.35Å; I368-H372 WeakPolarHBondContact O-CB 3.38Å; I368-H372 PolarHBondContact O-CD2 3.41Å; I368-H372 VanDerWaalsContact O-CD2 3.23Å; I368-H372 PolarHBondContact O-N 2.9Å
369H59.8Low53.4Low140 Ų14096.6 Ų96.665%0.64848%0.478SS*.Hα-helixtrans-64.2-46.4176.7-111.8-68.7000112.9N365 K366 H372 Q373N365-H369 WeakPolarHBondContact O-CB 3.38Å; N365-H369 PolarHBondContact O-N 2.83Å; K366-H369 WeakPolarHBondContact O-CB 3.38Å; K366-H369 PolarHBondContact O-N 3.04Å; K366-H369 VanDerWaalsContact O-N 3.13Å; H369-H372 PolarHBondContact O-N 3.47Å; H369-Q373 WeakPolarHBondContact O-CB 3.42Å; H369-Q373 PolarHBondContact O-N 2.95Å
370E61.4Low53.3Low92 Ų9294.7 Ų94.743%0.4348%0.477SS..Hα-helixtrans-64.9-39.2176.5-71.4176.3166.900110.9K366 Q373 L374K366-E370 WeakPolarHBondContact CE-OE1 3.46Å; K366-E370 HydrophobicContact CG-CG 4.44Å; K366-E370 IonicContact NZ-OE1 3.18Å; K366-E370 WeakPolarHBondContact O-CG 3.27Å; K366-E370 PolarHBondContact O-N 3.35Å; E370-Q373 PolarHBondContact O-N 3.01Å; E370-L374 WeakPolarHBondContact O-CG 3.36Å; E370-L374 PolarHBondContact O-N 3.01Å
371S55.4Low53.3Low15 Ų1598.7 Ų98.711%0.10551%0.508CS..Hα-helixtrans-64.1-44.6173.6-63.30000112.3F367 I368 Q373 L374 I375F367-S371 WeakPolarHBondContact O-CB 3.19Å; F367-S371 PolarHBondContact O-N 2.94Å; F367-S371 PolarHBondContact O-OG 2.87Å; I368-S371 PolarHBondContact O-N 3.35Å; S371-Q373 VanDerWaalsContact C-N 3.29Å; S371-Q373 PolarHBondContact O-N 3.29Å; S371-L374 PolarHBondContact O-N 3.01Å; S371-I375 WeakPolarHBondContact O-CB 3.28Å; S371-I375 WeakPolarHBondContact O-CD1 3.13Å; S371-I375 WeakPolarHBondContact O-CG1 3.36Å; S371-I375 PolarHBondContact O-N 3Å
372H56.3Low53.5Low119 Ų11996.1 Ų96.155%0.55150%0.499SS*.Hα-helixtrans-63.1-36.1174.3-85.6-59.5000112.4I368 H369 I375 S376I368-H372 WeakPolarHBondContact O-CB 3.38Å; I368-H372 PolarHBondContact O-CD2 3.41Å; I368-H372 VanDerWaalsContact O-CD2 3.23Å; I368-H372 PolarHBondContact O-N 2.9Å; H369-H372 PolarHBondContact O-N 3.47Å; H372-I375 PolarHBondContact O-N 3.22Å; H372-S376 PolarHBondContact O-N 3.05Å; H372-S376 PolarHBondContact O-OG 2.91Å
373Q59.6Low53.6Low109 Ų10996.6 Ų96.651%0.50950%0.501SS..Hα-helixtrans-66.1-45.4176.7-166.81581500111.2H369 E370 S371 I375 S376 E377H369-Q373 WeakPolarHBondContact O-CB 3.42Å; H369-Q373 PolarHBondContact O-N 2.95Å; E370-Q373 PolarHBondContact O-N 3.01Å; S371-Q373 VanDerWaalsContact C-N 3.29Å; S371-Q373 PolarHBondContact O-N 3.29Å; Q373-I375 PolarHBondContact O-N 3.25Å; Q373-S376 WeakPolarHBondContact CA-OG 3.46Å; Q373-S376 PolarHBondContact O-N 3.21Å; Q373-S376 PolarHBondContact O-OG 3.45Å; Q373-E377 PolarHBondContact O-N 3.25Å; Q373-E377 VanDerWaalsContact O-N 3.15Å
374L55.9Low53.7Low95 Ų9595.8 Ų95.850%0.49750%0.5SS..Hα-helixtrans-60.4-42.4172.7-69.8167.4000112.6E370 S371 S376 E377 D378 L386E370-L374 WeakPolarHBondContact O-CG 3.36Å; E370-L374 PolarHBondContact O-N 3.01Å; S371-L374 PolarHBondContact O-N 3.01Å; L374-S376 PolarHBondContact O-N 3.34Å; L374-E377 PolarHBondContact O-N 3.29Å; L374-D378 PolarHBondContact O-N 3.13Å; L374-D378 VanDerWaalsContact O-N 3.16Å; L374-L386 HydrophobicContact CB-CD1 4.42Å
375I53.8Low53.9Low97 Ų97101 Ų10150%0.49752%0.516SS..Hα-helixtrans-61.4-29.9174.2-69161.8000111.7S371 H372 Q373 L386S371-I375 WeakPolarHBondContact O-CB 3.28Å; S371-I375 WeakPolarHBondContact O-CD1 3.13Å; S371-I375 WeakPolarHBondContact O-CG1 3.36Å; S371-I375 PolarHBondContact O-N 3Å; H372-I375 PolarHBondContact O-N 3.22Å; Q373-I375 PolarHBondContact O-N 3.25Å; I375-L386 HydrophobicContact CD1-CD2 3.85Å; I375-L386 HydrophobicContact CG1-CD1 4.48Å; I375-L386 HydrophobicContact CG1-CD2 3.57Å
376S55.5Low53.9Low92 Ų9299.9 Ų99.964%0.64351%0.509SS*.Hα-helixtrans-86.3-10.2178.568.50000115.1H372 Q373 L374H372-S376 PolarHBondContact O-N 3.05Å; H372-S376 PolarHBondContact O-OG 2.91Å; Q373-S376 WeakPolarHBondContact CA-OG 3.46Å; Q373-S376 PolarHBondContact O-N 3.21Å; Q373-S376 PolarHBondContact O-OG 3.45Å; L374-S376 PolarHBondContact O-N 3.34Å
377E56.3Low53.5Low139 Ų13999.5 Ų99.565%0.6551%0.508SS*.Hα-helixtrans-108-21.9-178.8-70.8-178.2-172.600113.6Q373 L374 E379Q373-E377 PolarHBondContact O-N 3.25Å; Q373-E377 VanDerWaalsContact O-N 3.15Å; L374-E377 PolarHBondContact O-N 3.29Å; E377-E379 PolarHBondContact O-N 3.02Å
378D44.2Very low53.8Low84 Ų84101.9 Ų101.945%0.44952%0.523SS..  trans-90.188.4179.1-166.245000112.4L374 G380 N382L374-D378 PolarHBondContact O-N 3.13Å; L374-D378 VanDerWaalsContact O-N 3.16Å; D378-G380 PolarHBondContact O-N 3.41Å; D378-N382 WeakPolarHBondContact OD2-CB 3.41Å
379E44.7Very low54Low207 Ų207101.9 Ų101.997%0.96753%0.527SS*.  trans-69.449.9170.1-72.9-162.514400113.2E377E377-E379 PolarHBondContact O-N 3.02Å
380G43.4Very low53.9Low37 Ų3798 Ų9838%0.38151%0.51SS..SBendtrans135.7143.9155.400000117.5D378D378-G380 PolarHBondContact O-N 3.41Å
381S44Very low53.4Low121 Ų12198.7 Ų98.785%0.84652%0.517SS*.SBendtrans79.7-2.4157.675.50000120.8
382N52.7Low53.7Low59 Ų59102.1 Ų102.132%0.31654%0.537SS..  trans-107.527.2178.6-67.6-79.1000116.4D378 D384 R385 L386D378-N382 WeakPolarHBondContact OD2-CB 3.41Å; N382-D384 PolarHBondContact O-N 2.86Å; N382-D384 VanDerWaalsContact O-N 3.12Å; N382-R385 HydrophobicContact CB-CB 4.29Å; N382-R385 HydrophobicContact CB-CG 4.48Å; N382-R385 PolarHBondContact O-N 2.83Å; N382-R385 VanDerWaalsContact O-N 3.08Å; N382-R385 WeakPolarHBondContact OD1-CD 3.3Å; N382-L386 PolarHBondContact O-N 3.07Å; N382-L386 VanDerWaalsContact O-N 3.12Å
383I54.2Low53.6Low121 Ų12198.6 Ų98.662%0.62153%0.526SS*.Hα-helixtrans-50.8-39.5178.1-69.3175.2000112.5L386 K387I383-L386 WeakPolarHBondContact O-CB 3.42Å; I383-L386 PolarHBondContact O-N 3.12Å; I383-K387 PolarHBondContact O-N 3.45Å; I383-K387 VanDerWaalsContact O-N 3.14Å
384D54.9Low53.1Low101 Ų10197.7 Ų97.754%0.5452%0.522SS..Hα-helixtrans-75-33.8-178.2-60.8-47.6000112.9N382 L386 K387 D388N382-D384 PolarHBondContact O-N 2.86Å; N382-D384 VanDerWaalsContact O-N 3.12Å; D384-L386 PolarHBondContact O-N 3.12Å; D384-K387 WeakPolarHBondContact O-CB 3.49Å; D384-K387 PolarHBondContact O-N 3.16Å; D384-K387 IonicContact OD1-NZ 2.69Å; D384-K387 PolarHBondContact OD1-NZ 3.39Å; D384-D388 PolarHBondContact O-N 3.39Å
385R55.4Low53Low172 Ų17298.5 Ų98.565%0.64952%0.524SS*.Hα-helixtrans-64.6-31.7170.3-63.5-177.177.3-168.71.6111.8N382 T389N382-R385 HydrophobicContact CB-CB 4.29Å; N382-R385 HydrophobicContact CB-CG 4.48Å; N382-R385 PolarHBondContact O-N 2.83Å; N382-R385 VanDerWaalsContact O-N 3.08Å; N382-R385 WeakPolarHBondContact OD1-CD 3.3Å; R385-T389 WeakPolarHBondContact O-CB 3.19Å; R385-T389 PolarHBondContact O-N 3.3Å; R385-T389 PolarHBondContact O-OG1 3.47Å
386L54Low52.9Low49 Ų4998.1 Ų98.126%0.25752%0.523SS..Hα-helixtrans-66.2-45.4174-160.984.8000110.8L374 I375 N382 I383 D384 D388 T389 I390L374-L386 HydrophobicContact CB-CD1 4.42Å; I375-L386 HydrophobicContact CD1-CD2 3.85Å; I375-L386 HydrophobicContact CG1-CD1 4.48Å; I375-L386 HydrophobicContact CG1-CD2 3.57Å; N382-L386 PolarHBondContact O-N 3.07Å; N382-L386 VanDerWaalsContact O-N 3.12Å; I383-L386 WeakPolarHBondContact O-CB 3.42Å; I383-L386 PolarHBondContact O-N 3.12Å; D384-L386 PolarHBondContact O-N 3.12Å; L386-D388 PolarHBondContact O-N 2.91Å; L386-T389 PolarHBondContact O-N 2.86Å; L386-I390 HydrophobicContact CD2-CD1 4.27Å; L386-I390 HydrophobicContact CG-CD1 4.12Å; L386-I390 WeakPolarHBondContact O-CD1 3.26Å; L386-I390 VanDerWaalsContact O-CG1 3.28Å; L386-I390 WeakPolarHBondContact O-CG1 3.2Å; L386-I390 PolarHBondContact O-N 3.19Å
387K55.2Low52.8Low111 Ų11195.8 Ų95.848%0.48350%0.503SS..Hα-helixtrans-58.7-46.3174-66.2171.8-170.1157.90112I383 D384 T389 I390 N391I383-K387 PolarHBondContact O-N 3.45Å; I383-K387 VanDerWaalsContact O-N 3.14Å; D384-K387 WeakPolarHBondContact O-CB 3.49Å; D384-K387 PolarHBondContact O-N 3.16Å; D384-K387 IonicContact OD1-NZ 2.69Å; D384-K387 PolarHBondContact OD1-NZ 3.39Å; K387-T389 VanDerWaalsContact C-N 3.32Å; K387-T389 PolarHBondContact O-N 3.02Å; K387-I390 PolarHBondContact O-N 3.02Å; K387-N391 WeakPolarHBondContact O-CB 3.4Å; K387-N391 PolarHBondContact O-N 3.35Å
388D60.2Low52.2Low102 Ų10293.4 Ų93.455%0.54549%0.494SS..Hα-helixtrans-61.4-41.9178.6-70.7-21.2000111.3D384 L386 N391 V392D384-D388 PolarHBondContact O-N 3.39Å; L386-D388 PolarHBondContact O-N 2.91Å; D388-N391 PolarHBondContact O-N 2.95Å; D388-V392 WeakPolarHBondContact O-CB 3.35Å; D388-V392 VanDerWaalsContact O-CG2 3.3Å; D388-V392 WeakPolarHBondContact O-CG2 3.15Å; D388-V392 PolarHBondContact O-N 2.91Å
389T57.8Low52.1Low78 Ų7892.4 Ų92.448%0.47949%0.492SS..Hα-helixtrans-63.9-42.6176.6-54.70000111.6R385 L386 K387 V392 S393R385-T389 WeakPolarHBondContact O-CB 3.19Å; R385-T389 PolarHBondContact O-N 3.3Å; R385-T389 PolarHBondContact O-OG1 3.47Å; L386-T389 PolarHBondContact O-N 2.86Å; K387-T389 VanDerWaalsContact C-N 3.32Å; K387-T389 PolarHBondContact O-N 3.02Å; T389-V392 PolarHBondContact O-N 3.5Å; T389-S393 PolarHBondContact O-N 2.93Å; T389-S393 PolarHBondContact O-OG 3.18Å
390I56.7Low52.1Low58 Ų5889 Ų8930%0.29748%0.477SS..Hα-helixtrans-63.7-46.9176.1-68.2161.7000110.9F367 L386 K387 V392 S393 M394F367-I390 HydrophobicContact CE1-CG1 4.16Å; F367-I390 HydrophobicContact CE1-CG2 4.5Å; F367-I390 HydrophobicContact CZ-CB 4.42Å; F367-I390 HydrophobicContact CZ-CG1 3.91Å; L386-I390 HydrophobicContact CD2-CD1 4.27Å; L386-I390 HydrophobicContact CG-CD1 4.12Å; L386-I390 WeakPolarHBondContact O-CD1 3.26Å; L386-I390 VanDerWaalsContact O-CG1 3.28Å; L386-I390 WeakPolarHBondContact O-CG1 3.2Å; L386-I390 PolarHBondContact O-N 3.19Å; K387-I390 PolarHBondContact O-N 3.02Å; I390-V392 PolarHBondContact O-N 2.9Å; I390-S393 PolarHBondContact O-N 2.86Å; I390-M394 HydrophobicContact CG2-CG 4.34Å; I390-M394 WeakPolarHBondContact O-CB 3.29Å; I390-M394 VanDerWaalsContact O-CG 3.29Å; I390-M394 WeakPolarHBondContact O-CG 3.3Å; I390-M394 PolarHBondContact O-N 2.76Å
391N51.8Low52Low106 Ų10690 Ų9057%0.56747%0.473SS*.Hα-helixtrans-60.7-42.8177.9-79.1-20.1000112.2K387 D388 H395K387-N391 WeakPolarHBondContact O-CB 3.4Å; K387-N391 PolarHBondContact O-N 3.35Å; D388-N391 PolarHBondContact O-N 2.95Å; N391-H395 VanDerWaalsContact O-CB 3.23Å; N391-H395 WeakPolarHBondContact O-CB 3.4Å; N391-H395 PolarHBondContact O-N 3.35Å
392V60.7Low51.8Low87 Ų8789.2 Ų89.253%0.52745%0.454SS..Hα-helixtrans-66.7-44.6178.61700000111.5D388 T389 I390 H395 N396D388-V392 WeakPolarHBondContact O-CB 3.35Å; D388-V392 VanDerWaalsContact O-CG2 3.3Å; D388-V392 WeakPolarHBondContact O-CG2 3.15Å; D388-V392 PolarHBondContact O-N 2.91Å; T389-V392 PolarHBondContact O-N 3.5Å; I390-V392 PolarHBondContact O-N 2.9Å; V392-H395 PolarHBondContact O-N 3.46Å; V392-N396 VanDerWaalsContact O-CG 3.25Å; V392-N396 PolarHBondContact O-N 2.86Å; V392-N396 PolarHBondContact O-ND2 3.47Å
393S54.4Low51.2Low46 Ų4692.3 Ų92.332%0.32247%0.47SS..Hα-helixtrans-62.6-45.7176.6-72.10000112.3T389 I390 H395 N396 L397T389-S393 PolarHBondContact O-N 2.93Å; T389-S393 PolarHBondContact O-OG 3.18Å; I390-S393 PolarHBondContact O-N 2.86Å; S393-H395 PolarHBondContact O-N 3.32Å; S393-N396 PolarHBondContact O-N 3.09Å; S393-L397 PolarHBondContact O-N 2.86Å
394M50.4Low50.4Low89 Ų8991 Ų9144%0.43846%0.464SS..Hα-helixtrans-63.3-41.6177.2-70.5-64.1-67.700112I390 N396 L397 I398I390-M394 HydrophobicContact CG2-CG 4.34Å; I390-M394 WeakPolarHBondContact O-CB 3.29Å; I390-M394 VanDerWaalsContact O-CG 3.29Å; I390-M394 WeakPolarHBondContact O-CG 3.3Å; I390-M394 PolarHBondContact O-N 2.76Å; M394-N396 PolarHBondContact O-N 2.67Å; M394-L397 PolarHBondContact O-N 3.42Å; M394-I398 WeakPolarHBondContact O-CD1 3.15Å; M394-I398 VanDerWaalsContact O-CG1 3.27Å; M394-I398 WeakPolarHBondContact O-CG1 3.28Å; M394-I398 PolarHBondContact O-N 3.16Å
395H52.3Low49.5Very low113 Ų11391.3 Ų91.352%0.52346%0.462SS..Hα-helixtrans-63.3-40.6176.6-172.3-64000111.9N391 V392 S393 I398 C399N391-H395 VanDerWaalsContact O-CB 3.23Å; N391-H395 WeakPolarHBondContact O-CB 3.4Å; N391-H395 PolarHBondContact O-N 3.35Å; V392-H395 PolarHBondContact O-N 3.46Å; S393-H395 PolarHBondContact O-N 3.32Å; H395-I398 PolarHBondContact O-N 2.88Å; H395-C399 PolarHBondContact CE1-SG 2.96Å; H395-C399 WeakPolarHBondContact O-CB 3.05Å; H395-C399 PolarHBondContact O-N 2.85Å; H395-C399 PolarHBondContact O-SG 3.05Å; H395-C399 VanDerWaalsContact O-SG 3.39Å
396N52.8Low48.6Very low89 Ų8986.7 Ų86.748%0.47646%0.456SS..Hα-helixtrans-64.3-45.3175.8-70.5-19.5000111.4V392 S393 M394 I398 C399 E400V392-N396 VanDerWaalsContact O-CG 3.25Å; V392-N396 PolarHBondContact O-N 2.86Å; V392-N396 PolarHBondContact O-ND2 3.47Å; S393-N396 PolarHBondContact O-N 3.09Å; M394-N396 PolarHBondContact O-N 2.67Å; N396-I398 VanDerWaalsContact C-N 3.32Å; N396-I398 PolarHBondContact O-N 2.89Å; N396-C399 WeakPolarHBondContact O-CB 3.31Å; N396-C399 PolarHBondContact O-N 2.84Å; N396-C399 VanDerWaalsContact O-N 3.1Å; N396-E400 PolarHBondContact O-N 3.27Å
397L52.2Low47.8Very low43 Ų4392.7 Ų92.723%0.22548%0.48CS..Hα-helixtrans-58.5-42.8177.5-152.977.4000111.9I364 S393 M394 E400 N401I364-L397 HydrophobicContact CG1-CD2 4.43Å; S393-L397 PolarHBondContact O-N 2.86Å; M394-L397 PolarHBondContact O-N 3.42Å; L397-E400 PolarHBondContact O-N 2.92Å; L397-N401 PolarHBondContact O-N 2.86Å; L397-N401 PolarHBondContact O-ND2 3.07Å
398I44.2Very low47.1Very low89 Ų8993.3 Ų93.346%0.45649%0.485SS..Hα-helixtrans-66.6-36.8176.5-67.8164.2000111.4M394 H395 N396 K402M394-I398 WeakPolarHBondContact O-CD1 3.15Å; M394-I398 VanDerWaalsContact O-CG1 3.27Å; M394-I398 WeakPolarHBondContact O-CG1 3.28Å; M394-I398 PolarHBondContact O-N 3.16Å; H395-I398 PolarHBondContact O-N 2.88Å; N396-I398 VanDerWaalsContact C-N 3.32Å; N396-I398 PolarHBondContact O-N 2.89Å; I398-K402 HydrophobicContact CG2-CD 4.38Å; I398-K402 WeakPolarHBondContact O-CG 3.5Å; I398-K402 PolarHBondContact O-N 2.81Å
399C41.7Very low45.8Very low63 Ų6397 Ų9743%0.42650%0.496SS..Hα-helixtrans-69.1-38.7176.1-78.30000113.3H395 N396 L403H395-C399 PolarHBondContact CE1-SG 2.96Å; H395-C399 WeakPolarHBondContact O-CB 3.05Å; H395-C399 PolarHBondContact O-N 2.85Å; H395-C399 PolarHBondContact O-SG 3.05Å; H395-C399 VanDerWaalsContact O-SG 3.39Å; N396-C399 WeakPolarHBondContact O-CB 3.31Å; N396-C399 PolarHBondContact O-N 2.84Å; N396-C399 VanDerWaalsContact O-N 3.1Å; C399-L403 PolarHBondContact O-N 2.75Å
400E44.8Very low44.7Very low136 Ų136100 Ų10064%0.63651%0.51SS*.Hα-helixtrans-69-42.8178.4-70.8-172.7149.400111.8N396 L397 K402 L403 L404N396-E400 PolarHBondContact O-N 3.27Å; L397-E400 PolarHBondContact O-N 2.92Å; E400-K402 PolarHBondContact O-N 2.95Å; E400-L403 WeakPolarHBondContact O-CB 3.4Å; E400-L403 PolarHBondContact O-N 3.32Å; E400-L403 VanDerWaalsContact O-N 3.1Å; E400-L404 PolarHBondContact O-N 2.87Å
401N41.8Very low43.6Very low58 Ų58104.2 Ų104.231%0.3153%0.528SS..Hα-helixtrans-59.5-47.7174.8-73.5-62.3000112L397 L403 L404 E405L397-N401 PolarHBondContact O-N 2.86Å; L397-N401 PolarHBondContact O-ND2 3.07Å; N401-L403 PolarHBondContact O-N 3.31Å; N401-L403 VanDerWaalsContact O-N 3.14Å; N401-L404 PolarHBondContact O-N 3.24Å; N401-E405 PolarHBondContact O-N 2.85Å
402K39.8Very low42.6Very low103 Ų103105.4 Ų105.445%0.44854%0.539SS..Hα-helixtrans-58.3-26.7175-79.7178.2172.7173.50113.6L260 I398 E400 S406L260-K402 PolarHBondContact O-NZ 3.47Å; I398-K402 HydrophobicContact CG2-CD 4.38Å; I398-K402 WeakPolarHBondContact O-CG 3.5Å; I398-K402 PolarHBondContact O-N 2.81Å; E400-K402 PolarHBondContact O-N 2.95Å; K402-S406 WeakPolarHBondContact O-CB 3.29Å; K402-S406 PolarHBondContact O-N 2.86Å; K402-S406 PolarHBondContact O-OG 2.84Å
403L39.9Very low41Very low124 Ų124106.8 Ų106.865%0.64955%0.552SS**Hα-helixtrans-81.7-18.9179.7-154.778.8000113.3C399 E400 N401C399-L403 PolarHBondContact O-N 2.75Å; E400-L403 WeakPolarHBondContact O-CB 3.4Å; E400-L403 PolarHBondContact O-N 3.32Å; E400-L403 VanDerWaalsContact O-N 3.1Å; N401-L403 PolarHBondContact O-N 3.31Å; N401-L403 VanDerWaalsContact O-N 3.14Å
404L38.1Very low39.8Very low93 Ų93112.3 Ų112.349%0.48758%0.578SS.*Hα-helixtrans-84.3-52.7171.1-97.367.3000111.1E400 N401 S406 K407E400-L404 PolarHBondContact O-N 2.87Å; N401-L404 PolarHBondContact O-N 3.24Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 3.11Å; L404-K407 VanDerWaalsContact O-CB 3.29Å; L404-K407 WeakPolarHBondContact O-CB 3.5Å; L404-K407 PolarHBondContact O-N 3.1Å
405E35.4Very low38.9Very low109 Ų109113.9 Ų113.951%0.50960%0.598SS.*Hα-helixtrans-56.8-41.5-175.8-66.1176.6141.500112.5N401 K407 F409N401-E405 PolarHBondContact O-N 2.85Å; E405-K407 PolarHBondContact O-N 3.4Å; E405-K407 VanDerWaalsContact O-N 3.07Å; E405-F409 WeakPolarHBondContact O-CD2 3.47Å
406S36.8Very low37.7Very low75 Ų75116.1 Ų116.152%0.52461%0.614SS.*Hα-helixtrans-67.8-5.3178.255.10000114.9K402 L404 N410K402-S406 WeakPolarHBondContact O-CB 3.29Å; K402-S406 PolarHBondContact O-N 2.86Å; K402-S406 PolarHBondContact O-OG 2.84Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 3.11Å; S406-N410 PolarHBondContact O-ND2 3.29Å
407K36.9Very low36.6Very low175 Ų175120.6 Ų120.676%0.76163%0.632SS**Hα-helixtrans-106.7-21.8-172.2-147.8173.2-173.6178.80114.5L404 E405L404-K407 VanDerWaalsContact O-CB 3.29Å; L404-K407 WeakPolarHBondContact O-CB 3.5Å; L404-K407 PolarHBondContact O-N 3.1Å; E405-K407 PolarHBondContact O-N 3.4Å; E405-K407 VanDerWaalsContact O-N 3.07Å
408E39.5Very low35.5Very low124 Ų124126.4 Ų126.458%0.57966%0.662SS**Hα-helixtrans-106.7-14.7-174.3-60.7-167.114700114.3
409F34.6Very low34.7Very low178 Ų178128 Ų12878%0.78168%0.681SS**SBendtrans-85.2-3.9-176.6-87.8-91.8000116.1E405 E411E405-F409 WeakPolarHBondContact O-CD2 3.47Å; F409-E411 VanDerWaalsContact C-N 3.35Å; F409-E411 PolarHBondContact O-N 3.06Å
410N33.3Very low34Very low142 Ų142127.5 Ų127.576%0.75969%0.687SS**THydrogen-bonded Turntrans-87.917.8-172.4-74.1-62.5000115.3S406S406-N410 PolarHBondContact O-ND2 3.29Å
411E33.1Very low33.3Very low147 Ų147131.5 Ų131.569%0.68770%0.702SS**THydrogen-bonded Turntrans-132.822.3-168.7-150.6-172.7-127.700115.5K345 F409K345-E411 IonicContact NZ-OE2 2.81Å; K345-E411 PolarHBondContact NZ-OE2 2.91Å; F409-E411 VanDerWaalsContact C-N 3.35Å; F409-E411 PolarHBondContact O-N 3.06Å
412V31.4Very low32.6Very low130 Ų130136 Ų13679%0.78872%0.719SS**  trans-138.673.9173.9-167.30000112.1
413S27.4Very low32.1Very low116 Ų116136.2 Ų136.281%0.81173%0.734SS**  trans-152.289.7172.4-77.30000111.5
414D29Very low31.4Very low163 Ų163136.9 Ų136.987%0.87274%0.744SS**  trans162.6111.8149.5-94-20.6000111.5
415S31.6Very low30.9Very low121 Ų121137.1 Ų137.185%0.84675%0.753SS**  trans169.456.714942.50000114.6Q417S415-Q417 PolarHBondContact O-N 2.99Å; S415-Q417 VanDerWaalsContact O-N 3.12Å
416N27.6Very low30.8Very low161 Ų161137.2 Ų137.286%0.86175%0.753SS**  trans-70.2103166.8-90.6-39.5000111.6
417Q29.2Very low30.8Very low183 Ų183138.4 Ų138.486%0.85575%0.753SS**  trans-178.6119.9148.9-104.4153.310600113.8S415S415-Q417 PolarHBondContact O-N 2.99Å; S415-Q417 VanDerWaalsContact O-N 3.12Å
418L29Very low31.7Very low165 Ų165132.7 Ų132.786%0.86473%0.731SS**  trans-122.596.6164.5-81.9172.7000110.7
419S27.3Very low32.8Very low121 Ų121131.7 Ų131.785%0.84673%0.726SS**  trans-105.875.5177.255.40000112.1
420G28Very low34.9Very low54 Ų54127.3 Ų127.356%0.55771%0.71SS**  trans-115.8125.9177.600000113F422G420-F422 PolarHBondContact O-N 3.36Å
421K29.1Very low37.2Very low219 Ų219122.4 Ų122.495%0.95269%0.685SS**  trans-8591.6-179.7-70.3-179.1-180174.90112
422F28.5Very low39.6Very low152 Ų152122.1 Ų122.167%0.66768%0.678SS**  trans-72.8155.3168.7-71.5-88.1000112.4G420 L427G420-F422 PolarHBondContact O-N 3.36Å; F422-L427 HydrophobicContact CB-CD1 4.28Å; F422-L427 HydrophobicContact CB-CD2 4.03Å; F422-L427 HydrophobicContact CB-CG 4.21Å; F422-L427 HydrophobicContact CD2-CD2 4.18Å; F422-L427 HydrophobicContact CG-CD2 4.29Å
423S28.5Very low42.1Very low109 Ų109117.9 Ų117.976%0.76265%0.65SS**  trans-68.9135172.5-73.20000110.7S425S423-S425 VanDerWaalsContact C-N 3.34Å; S423-S425 PolarHBondContact O-N 3.44Å
424T25.9Very low44.7Very low138 Ų138117.8 Ų117.885%0.84764%0.636SS**SBendtrans-81.969.8-165.355.60000113.6
425S26.7Very low47.1Very low97 Ų97110.9 Ų110.968%0.67860%0.598SS**SBendtrans-140.8103.1166.155.90000109S423S423-S425 VanDerWaalsContact C-N 3.34Å; S423-S425 PolarHBondContact O-N 3.44Å
426Q33.9Very low49Very low112 Ų112112.4 Ų112.452%0.52359%0.592SS.*  trans58.462.2-176.3-63.6174.8-21.700114.2P173 L428P173-Q426 HydrophobicContact CG-CG 4.45Å; Q426-L428 PolarHBondContact O-N 2.92Å; Q426-L428 VanDerWaalsContact O-N 3.13Å
427L36.1Very low50.7Low100 Ų100106.7 Ų106.752%0.52456%0.561SS.*  trans-68.9100.9153.6-97.5166.5000107.8F422 E429F422-L427 HydrophobicContact CB-CD1 4.28Å; F422-L427 HydrophobicContact CB-CD2 4.03Å; F422-L427 HydrophobicContact CB-CG 4.21Å; F422-L427 HydrophobicContact CD2-CD2 4.18Å; F422-L427 HydrophobicContact CG-CD2 4.29Å; L427-E429 PolarHBondContact O-N 2.96Å
428L56.7Low52.1Low54 Ų54104.6 Ų104.628%0.28356%0.556SS.*  trans-70116.1169.2-71.8154.5000108.1V3 P173 I175 Q426 L430V3-L428 HydrophobicContact CG1-CD1 3.82Å; P173-L428 HydrophobicContact CB-CD2 3.61Å; P173-L428 HydrophobicContact CG-CD2 3.55Å; P173-L428 HydrophobicContact CG-CG 4.36Å; I175-L428 HydrophobicContact CD1-CB 4.26Å; I175-L428 HydrophobicContact CD1-CD1 4.14Å; I175-L428 HydrophobicContact CD1-CD2 4.02Å; I175-L428 HydrophobicContact CD1-CG 4.37Å; I175-L428 HydrophobicContact CG1-CB 4.45Å; I175-L428 HydrophobicContact CG1-CD2 3.96Å; Q426-L428 PolarHBondContact O-N 2.92Å; Q426-L428 VanDerWaalsContact O-N 3.13Å; L428-L430 PolarHBondContact O-N 3.41Å
429E62.2Low53.1Low103 Ų103105 Ų10548%0.48155%0.554SS.*EExtended strand (participates in β ladder)trans-81.3114.9173.6-171.7177.4-140.700108.5K174 I175 L427 V431K174-E429 WeakPolarHBondContact CE-OE2 3.44Å; K174-E429 HydrophobicContact CG-CB 4.49Å; K174-E429 IonicContact NZ-OE2 2.67Å; K174-E429 PolarHBondContact NZ-OE2 2.84Å; I175-E429 PolarHBondContact N-O 2.85Å; I175-E429 VanDerWaalsContact O-O 3.07Å; L427-E429 PolarHBondContact O-N 2.96Å; E429-V431 HydrophobicContact CG-CG2 3.97Å
430L77.7Confident53.6Low87 Ų87106.6 Ų106.646%0.45555%0.553SS.*EExtended strand (participates in β ladder)trans-82.4120.7167.6178.859.4000108.8F5 P8 F150 I175 L428F5-L430 HydrophobicContact CZ-CD1 4.02Å; F5-L430 HydrophobicContact CZ-CD2 4.27Å; P8-L430 HydrophobicContact CG-CD2 4.4Å; F150-L430 HydrophobicContact CE1-CD1 4.03Å; F150-L430 HydrophobicContact CZ-CD1 4.4Å; I175-L430 HydrophobicContact CB-CD1 4.35Å; I175-L430 HydrophobicContact CG2-CD1 4.15Å; I175-L430 CarbonylContact O-C 3.53Å; I175-L430 VanDerWaalsContact O-CA 3.32Å; I175-L430 WeakPolarHBondContact O-CA 3.42Å; L428-L430 PolarHBondContact O-N 3.41Å
431V81.7Confident53.8Low39 Ų39110.3 Ų110.324%0.23656%0.56CS.*EExtended strand (participates in β ladder)trans-116.1152.3173.9-173.90000108.1I175 I176 E177 E429 E433I175-V431 PolarHBondContact O-N 2.96Å; I176-V431 CarbonylContact C-O 3.57Å; I176-V431 VanDerWaalsContact CA-O 3.31Å; I176-V431 WeakPolarHBondContact CA-O 3.36Å; I176-V431 HydrophobicContact CG1-CB 4.32Å; I176-V431 HydrophobicContact CG2-CB 4.34Å; E177-V431 PolarHBondContact N-O 1.98Å; E429-V431 HydrophobicContact CG-CG2 3.97Å; V431-E433 HydrophobicContact CG1-CG 4.16Å
432R84.9Confident54Low141 Ų141107 Ų10753%0.53255%0.548SS..EExtended strand (participates in β ladder)trans-119.5129.7165.5177.1175166.5130.7-11.9108.2E177 E434E177-R432 HydrophobicContact CB-CB 4.32Å; E177-R432 HydrophobicContact CB-CG 4.31Å; E177-R432 CarbonylContact O-C 3.59Å; E177-R432 WeakPolarHBondContact O-CA 3.3Å; E177-R432 IonicContact OE1-NH1 3.73Å; E177-R432 WeakPolarHBondContact OE2-CD 3.23Å; E177-R432 IonicContact OE2-CZ 3.18Å; E177-R432 IonicContact OE2-NE 2.71Å; E177-R432 IonicContact OE2-NH1 2.77Å; E177-R432 PolarHBondContact OE2-NH1 3.24Å; R432-E434 HydrophobicContact CG-CG 4.42Å; R432-E434 IonicContact CZ-OE1 3.26Å; R432-E434 IonicContact NE-OE1 3.68Å; R432-E434 PolarHBondContact NE-OE1 2.76Å; R432-E434 IonicContact NH2-OE1 3.74Å; R432-E434 PolarHBondContact NH2-OE1 2.82Å
433E83.2Confident54.2Low41 Ų41106.8 Ų106.819%0.19255%0.554CS.*EExtended strand (participates in β ladder)trans-123.7137.4173.2-69.3-163.2-145.200109.9Y159 K162 H163 I176 E177 C178 R179 V431 F435Y159-E433 WeakPolarHBondContact CE2-OE1 3.37Å; K162-E433 IonicContact NZ-OE2 2.77Å; K162-E433 PolarHBondContact NZ-OE2 2.94Å; H163-E433 IonicContact NE2-OE2 2.77Å; I176-E433 HydrophobicContact CG2-CB 4.41Å; I176-E433 HydrophobicContact CG2-CG 4.29Å; E177-E433 PolarHBondContact O-N 2.88Å; C178-E433 WeakPolarHBondContact CA-O 3.4Å; R179-E433 PolarHBondContact N-O 3.14Å; V431-E433 HydrophobicContact CG1-CG 4.16Å; E433-F435 HydrophobicContact CB-CD2 4.44Å; E433-F435 HydrophobicContact CB-CE2 3.57Å; E433-F435 HydrophobicContact CB-CZ 4.11Å
434E82.6Confident54.4Low113 Ų113109.2 Ų109.253%0.52856%0.558SS.*EExtended strand (participates in β ladder)trans-118140.6-174.7-62.9-179.4160.900109.6R179 R432R179-E434 VanDerWaalsContact O-CA 3.31Å; R179-E434 WeakPolarHBondContact O-CA 3.39Å; R432-E434 HydrophobicContact CG-CG 4.42Å; R432-E434 IonicContact CZ-OE1 3.26Å; R432-E434 IonicContact NE-OE1 3.68Å; R432-E434 PolarHBondContact NE-OE1 2.76Å; R432-E434 IonicContact NH2-OE1 3.74Å; R432-E434 PolarHBondContact NH2-OE1 2.82Å
435F79.1Confident54.8Low18 Ų18108 Ų1088%0.07955%0.55CS.*EExtended strand (participates in β ladder)trans-138.5123.3-167.8-69.6-92.3000113.5A155 K158 Y159 K162 R179 L180 T181 E433A155-F435 HydrophobicContact CB-CB 4.48Å; A155-F435 HydrophobicContact CB-CD2 4.17Å; K158-F435 HydrophobicContact CB-CB 4.44Å; K158-F435 HydrophobicContact CB-CD1 3.59Å; K158-F435 HydrophobicContact CB-CE1 4.03Å; K158-F435 HydrophobicContact CB-CG 4.12Å; K158-F435 HydrophobicContact CD-CB 3.73Å; K158-F435 HydrophobicContact CD-CD1 4.25Å; K158-F435 HydrophobicContact CD-CG 4.29Å; Y159-F435 VanDerWaalsContact CA-CZ 3.48Å; Y159-F435 HydrophobicContact CD2-CE2 4.34Å; Y159-F435 AromaticContact CD2-CZ 3.91Å; Y159-F435 HydrophobicContact CD2-CZ 3.91Å; Y159-F435 HydrophobicContact CG-CZ 4.23Å; K162-F435 HydrophobicContact CD-CE1 3.66Å; K162-F435 HydrophobicContact CD-CZ 4.14Å; R179-F435 PolarHBondContact O-N 3.5Å; L180-F435 WeakPolarHBondContact CA-O 3.33Å; L180-F435 WeakPolarHBondContact CD2-O 3.46Å; T181-F435 PolarHBondContact N-O 2.67Å; E433-F435 HydrophobicContact CB-CD2 4.44Å; E433-F435 HydrophobicContact CB-CE2 3.57Å; E433-F435 HydrophobicContact CB-CZ 4.11Å
436E71.7Confident54.9Low153 Ų153112 Ų11272%0.71556%0.558SS**  trans-66.8144.8171.3-66.2168.9-166.400111.1K158 T181 D184K158-E436 WeakPolarHBondContact CE-O 3.32Å; K158-E436 PolarHBondContact NZ-O 2.95Å; T181-E436 HydrophobicContact CG2-CG 3.84Å; D184-E436 WeakPolarHBondContact OD2-CA 3.42Å
437L62.8Low54.7Low41 Ų41114.5 Ų114.522%0.21558%0.575CS.*  trans-77.9121.1166.9-74.7164.5000110.3N154 K158 L180 D184 A187 T188 Q439N154-L437 HydrophobicContact CB-CD2 4.46Å; K158-L437 VanDerWaalsContact NZ-CA 3.3Å; K158-L437 VanDerWaalsContact NZ-CD2 3.26Å; L180-L437 HydrophobicContact CD1-CD1 4.38Å; L180-L437 HydrophobicContact CD1-CG 4.42Å; L180-L437 HydrophobicContact CD2-CD2 4.35Å; L180-L437 HydrophobicContact CD2-CG 4.33Å; D184-L437 HydrophobicContact CB-CB 4.39Å; D184-L437 HydrophobicContact CB-CD1 3.63Å; D184-L437 HydrophobicContact CB-CG 3.85Å; D184-L437 VanDerWaalsContact OD1-CB 3.24Å; D184-L437 WeakPolarHBondContact OD1-CB 3.46Å; D184-L437 PolarHBondContact OD1-N 3.01Å; D184-L437 PolarHBondContact OD2-N 2.87Å; A187-L437 HydrophobicContact CB-CD1 3.95Å; T188-L437 HydrophobicContact CG2-CD1 4.49Å; L437-Q439 PolarHBondContact O-N 2.95Å
438D58.4Low54.3Low140 Ų140116.8 Ų116.875%0.74959%0.586SS**  trans-59.6103.8165.2-68.4-62000109.4N440D438-N440 PolarHBondContact O-N 2.89Å
439Q49.7Very low53.1Low172 Ų172122.1 Ų122.180%0.80461%0.61SS**  trans-62.5129.7168.8-64.1-176.85.500108.6L437 N441L437-Q439 PolarHBondContact O-N 2.95Å; Q439-N441 PolarHBondContact O-N 2.86Å
440N38.6Very low51.6Low156 Ų156122.4 Ų122.483%0.83462%0.619SS**  trans-50.399.1-169.2-72.8-23.9000113.8D438 E442D438-N440 PolarHBondContact O-N 2.89Å; N440-E442 PolarHBondContact O-N 3.04Å
441N31.1Very low49.1Very low132 Ų132124.8 Ų124.871%0.70663%0.632SS**  trans-86.689.1167.9-83.1-55000109.7Q439 D443Q439-N441 PolarHBondContact O-N 2.86Å; N441-D443 PolarHBondContact O-N 2.68Å
442E34.2Very low46.8Very low149 Ų149132.2 Ų132.270%0.69666%0.661SS**THydrogen-bonded Turntrans-69.2-4174-63-168.5122.800113.6N440 N444N440-E442 PolarHBondContact O-N 3.04Å; E442-N444 PolarHBondContact O-N 2.98Å
443D33Very low44.1Very low147 Ų147130.4 Ų130.479%0.78667%0.67SS**THydrogen-bonded Turntrans-67.67.8-177.1-85.4-7.2000116N441 V445N441-D443 PolarHBondContact O-N 2.68Å; D443-V445 VanDerWaalsContact C-N 3.32Å; D443-V445 PolarHBondContact O-N 3.35Å
444N33.3Very low41.8Very low160 Ų160138.7 Ų138.786%0.85671%0.706SS**  trans-94.937.1175.9-97.5-52.4000114E442E442-N444 PolarHBondContact O-N 2.98Å
445V34.1Very low39.2Very low113 Ų113140.8 Ų140.869%0.68572%0.72SS**SBendtrans-118.2129.9165.7179.50000109.2D443D443-V445 VanDerWaalsContact C-N 3.32Å; D443-V445 PolarHBondContact O-N 3.35Å
446E27.8Very low36.9Very low181 Ų181148.3 Ų148.385%0.84675%0.753SS**  trans56.583.8178.2-64.4-160.2139.200118
447N30.1Very low34.9Very low165 Ų165148.4 Ų148.488%0.88275%0.753SS**  trans-129.256149.5-128.7-54.8000112.6
448I28.7Very low33.3Very low147 Ų147155.2 Ų155.275%0.75478%0.783SS**  trans-100137.7167-72.6174.3000107.7
449Q29.8Very low31.8Very low166 Ų166155.5 Ų155.578%0.77679%0.785SS**  trans68.9125.2-179.6-67.3170.446.400115
450T31.1Very low30.9Very low110 Ų110153.3 Ų153.368%0.67579%0.789SS**  cis-163.614621.526.40000114.7
451N25.9Very low30.3Very low137 Ų137150.3 Ų150.373%0.73379%0.786SS**  trans16.6112.2137.2-57.5-52.7000120.3
452K32.7Very low30.2Very low194 Ų194150.8 Ų150.884%0.84379%0.793SS**  175.2123.1106.9-92.8150.3-169.1164.70115.7
453S28.3Very low29.9Very low104 Ų104152.1 Ų152.173%0.72780%0.797SS**  trans-7.4140.6148.159.70000120.5
454K34.1Very low29.7Very low214 Ų214151.4 Ų151.493%0.9379%0.793SS**  -154.6157.6116.4-110.5163.4-172.7175.50112.2
455L28Very low29.4Very low157 Ų157148.5 Ų148.582%0.82278%0.781SS**  trans-139.9139.2-173.5-159.8169000107.3
456K31.9Very low29.1Very low177 Ų177150.9 Ų150.977%0.7779%0.79SS**  trans124.9122.8175-75.5-179.1177-169.80110.2
457Q29.6Very low28.9Very low154 Ų154145.4 Ų145.472%0.7278%0.782SS**  cis92.5100.245.1178-167.617.800111.2
458E29.4Very low28.6Very low184 Ų184144.8 Ų144.886%0.8678%0.784SS**  -162.7172.8127.8-114.1167.1-163.400111.6
459N27.1Very low28.5Very low147 Ų147142.3 Ų142.379%0.78678%0.78SS**  trans-115.9156.9-163.1-43-87000112.5
460S30.9Very low28.3Very low126 Ų126139.7 Ų139.788%0.88178%0.778SS**  -170.5164.111952.30000110.9
461A26Very low28.1Very low93 Ų93142.2 Ų142.277%0.76978%0.782SS**  trans-146.4133.6-177.600000112.2
462V29.2Very low28Very low141 Ų141143 Ų14386%0.85578%0.783SS**  trans-143.2107.6164.1-173.60000105
463K27.7Very low27.7Very low178 Ų178140.3 Ų140.377%0.77478%0.778SS**  74.9136.264.1-88.9-162.2171.7-171.80115.5
464N27.5Very low27.7Very low132 Ų132141.3 Ų141.371%0.70679%0.785SS**  trans74.4150.6157.3-70.127.3000118.1
465T26.8Very low27.2Very low99 Ų99139.3 Ų139.361%0.60778%0.783SS**  cis177.4133.3-40.233.10000107.5
466N27.7Very low27.2Very low162 Ų162136.3 Ų136.387%0.86678%0.776SS**  trans65.4155.5169.5-42.5-18.6000114.1
467G24.9Very low27Very low66 Ų66135.4 Ų135.468%0.6878%0.779SS**  cis142142.9-800000112.9
468V24.3Very low27Very low153 Ų153134.1 Ų134.193%0.92778%0.782SS**  trans80.5139161.9-177.80000118.9
469S26.2Very low26.9Very low95 Ų95131 Ų13166%0.66478%0.775SS**  trans85.8110.8156.7-173.60000121.2
470C24.3Very low27Very low111 Ų111132.9 Ų132.975%0.7578%0.776SS**  29.3139.5118.2-41.50000118.8
471H27Very low26.9Very low163 Ų163132.3 Ų132.376%0.75577%0.772SS**  -173.3-174.855.1-164.5-99.8000111.4
472M25Very low26.9Very low153 Ų153134.8 Ų134.875%0.75477%0.771SS**  trans-62.2177172.8-71-73.5-148.300114.9
473D25.3Very low26.9Very low138 Ų138135.1 Ų135.174%0.73877%0.768SS**  trans85.870.5156.7-51.5-47.2000118.3
474S29.6Very low26.9Very low125 Ų125133 Ų13387%0.87477%0.765SS**  trans-15380144.4-82.20000112.7
475L24.1Very low26.9Very low171 Ų171135.1 Ų135.190%0.89578%0.776SS**  trans-52.3158.6151.2-82.9160.1000111.2
476S26.8Very low27Very low94 Ų94135 Ų13566%0.65778%0.775SS**  trans6466.2155.8-176.50000117.5
477N28.8Very low27Very low158 Ų158135 Ų13585%0.84577%0.77SS**  trans-176102.7144.9-85.8-38.1000106.3
478V29.1Very low27.3Very low127 Ų127138 Ų13877%0.7777%0.77SS**  cis-128.6114.949.5178.60000112.3
479V27.1Very low27.5Very low120 Ų120135.5 Ų135.573%0.72778%0.775SS**  trans-93145.9149.7178.20000106.7
480K28.3Very low27.7Very low185 Ų185135.4 Ų135.480%0.80478%0.775SS**  trans86.974-176.5-50.8169.2-178.1174.80116.4
481S28.6Very low27.8Very low115 Ų115138.6 Ų138.680%0.80478%0.778SS**SBendtrans171.9114.4142.8-78.10000107.8
482I27.6Very low28Very low144 Ų144138 Ų13874%0.73878%0.78SS**SBendcis-125.9114.60.6-63.6167.9000108.3
483N27.6Very low28.2Very low149 Ų149135.8 Ų135.880%0.79778%0.775SS**  trans-94.9154.9148.2-86.4-2.5000107
484N28.7Very low28.4Very low132 Ų132137.9 Ų137.971%0.70678%0.781SS**  trans69.885.4175.8-493.3000115
485L27.8Very low28.4Very low178 Ų178135.9 Ų135.993%0.93277%0.766SS**  -125.771.5125.5-80.8-177.1000108.1
486T28.2Very low28.7Very low96 Ų96133.8 Ų133.859%0.58976%0.761SS**  trans-73158.6160.5-34.40000108.8
487E29.1Very low28.8Very low161 Ų161136.4 Ų136.475%0.75276%0.764SS**SBendtrans66.6114161.7-78.7141.2-177.100118.1
488D29.5Very low28.9Very low131 Ų131135 Ų13570%0.70176%0.757SS**  trans59.4105.8132.3-59.3-0.8000119.5S490D488-S490 PolarHBondContact O-N 2.86Å
489G28.3Very low29.1Very low99 Ų99135 Ų135100%1.02175%0.752SS**  trans-65.671.8150.400000111.4
490S31.7Very low29.1Very low94 Ų94133.6 Ų133.666%0.65775%0.748SS**  trans-114.9149.3166.463.70000109.8D488D488-S490 PolarHBondContact O-N 2.86Å
491E26.1Very low29.3Very low178 Ų178131.3 Ų131.383%0.83274%0.74SS**  trans-74.3143.2-169.6-54.5169.1128.100111.8
492L30.9Very low29.5Very low149 Ų149133.1 Ų133.178%0.7873%0.733SS**  157.1122.3119.5-81.2166.4000115.1
493T30Very low29.6Very low107 Ų107132.6 Ų132.666%0.65673%0.731SS**  trans53.6129139.157.20000123.8
494E28.2Very low29.7Very low183 Ų183132 Ų13286%0.85573%0.727SS**  trans68.8147140.1-67.9-171.6135.800120.4
495S29.3Very low29.7Very low82 Ų82131.9 Ų131.957%0.57373%0.731SS**  cis-169.8159.5-19.259.20000111.2
496T30.7Very low29.8Very low127 Ų127130.8 Ų130.878%0.77973%0.725SS**  trans64.5156.6160.565.40000118.4
497M29Very low29.8Very low149 Ų149130.5 Ų130.573%0.73473%0.727SS**  cis-165.9146.6-13.6-116.3-170.1158.400111.8
498L32Very low29.9Very low130 Ų130130 Ų13068%0.68173%0.73SS**  trans62.2160.5145.8-56.6176.4000118.8
499N32.3Very low29.9Very low127 Ų127134.5 Ų134.568%0.67974%0.737SS**  cis-163.6160.3-10.4-123.8-4.4000112.7
500S28.5Very low30Very low90 Ų90136.1 Ų136.163%0.62973%0.727SS**  trans62.3157.7138.5-60.90000122.2
501E32.1Very low29.8Very low136 Ų136136 Ų13664%0.63673%0.726SS**  cis-170.3150.2-19.9-106.4-164.1146.100111.8
502K32.9Very low30.1Very low154 Ų154136.6 Ų136.667%0.6773%0.729SS**  trans62.6165.2141.1-69.4177.1178.4143.70121.2
503I29.1Very low29.9Very low133 Ų133135 Ų13568%0.68273%0.726SS**  cis-159.1157.2-29.4-108.3171.7000110
504N29.7Very low30Very low136 Ų136137.3 Ų137.373%0.72773%0.731SS**  trans-12.9157.5163-47.4-19.6000122.3
505V29.5Very low30.1Very low130 Ų130135.4 Ų135.479%0.78873%0.726SS**  157.3108.4114.4167.90000114.9
506L29Very low30.3Very low154 Ų154135.8 Ų135.881%0.80673%0.729SS**  52.4123.9127.3-152.467.4000125.3
507S27Very low30.3Very low91 Ų91136.6 Ų136.664%0.63673%0.728SS**  trans45.4129.5143.3-56.60000125.1
508N32.5Very low30.5Very low150 Ų150134.9 Ų134.980%0.80272%0.722SS**  -172.7144.4110.7-88.2-42.9000109.5
509R29.5Very low30.6Very low226 Ų226134.3 Ų134.385%0.85372%0.72SS**  44133.584.3-75.8-172.2177.4-173.30.6113.8
510T29.4Very low30.7Very low133 Ų133135.2 Ų135.282%0.81672%0.72SS**  cis-152.8-171.822.9-19.70000113.3
511S28.3Very low31Very low91 Ų91136.1 Ų136.164%0.63672%0.718SS**  trans-85.3152.7-175.651.90000116.6
512E31.8Very low31.2Very low190 Ų190138.2 Ų138.289%0.88873%0.727SS**  trans-170.5130.4144.7-100.8152.8-143.600105.9
513T27.4Very low31.2Very low116 Ų116139.6 Ų139.671%0.71274%0.736SS**  cis79.394.834.3-41.50000114.6
514M31.3Very low31.4Very low155 Ų155136.9 Ų136.976%0.76474%0.741SS**  165.8139.4124.7-96.1-164.1-71.400115.5
515N30.6Very low31.6Very low143 Ų143136.8 Ų136.877%0.76574%0.74SS**  trans66.2162.9146.7-52-14.7000117.6
516S32.7Very low31.7Very low90 Ų90137.6 Ų137.663%0.62974%0.739SS**  cis-159.4139.43.1106.60000111.9
517L31.5Very low31.8Very low145 Ų145138.6 Ų138.676%0.75974%0.741SS**  trans57.6160.6143.2-78.168.8000118.5
518D34.3Very low31.8Very low112 Ų112141 Ų14160%0.59975%0.746SS**  cis-159.5159.53.6-128.76.4000112.4
519N34.1Very low31.8Very low119 Ų119143.7 Ų143.764%0.63675%0.751SS**  trans59.5149.5147.2-58.2-27.5000121.4
520Q34.3Very low31.8Very low146 Ų146140.8 Ų140.868%0.68275%0.747SS**  cis-161.5154.9-9.5-115.5179.5-70.900111.5
521D33.9Very low31.8Very low109 Ų109141 Ų14158%0.58375%0.752SS**  trans33.9139.3143.1-45.1-22.6000121.5
522H37.3Very low31.7Very low179 Ų179143.3 Ų143.383%0.82975%0.753SS**  cis-157.9173.646.5-99.6-60.6000114.9
523E31.7Very low31.6Very low183 Ų183139.2 Ų139.286%0.85575%0.745SS**  trans-91.4165-171.9-55.6175.6106.200116
524G33.8Very low31.8Very low77 Ų77141.1 Ų141.179%0.79474%0.744SS**  trans-155.316.2-174.800000120
525N33.4Very low31.6Very low134 Ų134140.7 Ų140.772%0.71774%0.743SS**  trans34.7128.4159-95.5-30.6000123.9
526I33Very low31.5Very low146 Ų146139.7 Ų139.775%0.74975%0.745SS**  trans74.4138.2137.5-65.5165.4000116.7
527M29.4Very low31.1Very low175 Ų175140.6 Ų140.686%0.86275%0.746SS**  cis-143.4164.220.6-155.7166.169.600114.4
528L27.9Very low31Very low141 Ų141143.3 Ų143.374%0.73875%0.752SS**  trans-73.2148.7177.9-68.5149.3000115.6
529K32.1Very low30.5Very low208 Ų208148.2 Ų148.290%0.90476%0.762SS**  -159.7134.4120.4-121.2177.4-177.6179.70113.6
530E29Very low30.2Very low165 Ų165149.2 Ų149.277%0.77177%0.767SS**  trans-91157178.5-58.9157.2109.600112.3
531C29.2Very low29.9Very low136 Ų136146.7 Ų146.792%0.91977%0.766SS**  trans-155.1125.5135.3-104.90000108.9
532E26.9Very low29.6Very low140 Ų140149.1 Ų149.165%0.65478%0.778SS**  trans-81.4173.8-179.5-76.6-157.2115.300113.7K534E532-K534 WeakPolarHBondContact OE1-CE 3.04Å; E532-K534 IonicContact OE1-NZ 3.09Å; E532-K534 PolarHBondContact OE1-NZ 2.88Å; E532-K534 IonicContact OE2-NZ 3.39Å; E532-K534 PolarHBondContact OE2-NZ 2.8Å
533S30.6Very low29.2Very low105 Ų105145.5 Ų145.573%0.73477%0.773SS**  trans98.1144.1135.381.30000118.3
534K31.6Very low29.2Very low155 Ų155142.5 Ų142.567%0.67476%0.763SS**  cis-160.5154.2-33.8-114.5143.6-167.8164.30107E532E532-K534 WeakPolarHBondContact OE1-CE 3.04Å; E532-K534 IonicContact OE1-NZ 3.09Å; E532-K534 PolarHBondContact OE1-NZ 2.88Å; E532-K534 IonicContact OE2-NZ 3.39Å; E532-K534 PolarHBondContact OE2-NZ 2.8Å
535I25.4Very low28.9Very low146 Ų146147 Ų14775%0.74976%0.76SS**  trans-67.5159.5178.3-21.4179.2000110.4
536P29.5Very low28.8Very low123 Ų123149.1 Ų149.180%0.79977%0.766SS**  -142.8137.3101.636.8-23.1000115.8
537V23.7Very low28.7Very low108 Ų108148 Ų14866%0.65577%0.765SS**  trans-70.5148.6152.8166.60000108.7
538F29Very low29Very low203 Ų203144.5 Ų144.589%0.8976%0.756SS**  -177.2149.5127.6-96.9-60.9000114.3
539R25.4Very low29.1Very low215 Ų215144.3 Ų144.381%0.81176%0.756SS**  trans-76.8149.3168.5-53.8168.7173157.8-5.4110
540N27.8Very low29.1Very low139 Ų139141.4 Ų141.474%0.74375%0.749SS**  166.2148.2106.1-92.7-19.4000114.9
541S26.9Very low29.3Very low93 Ų93139.7 Ų139.765%0.6574%0.744SS**  trans49.3113.6136.7-54.30000122.3
542L28.7Very low29.5Very low160 Ų160138.7 Ų138.784%0.83873%0.734SS**  61.3110.8123.6-69.4160.1000120.9
543S29.1Very low29.8Very low103 Ų103139.2 Ų139.272%0.7274%0.741SS**  97.9146.1125.383.90000121.3
544N30.1Very low29.8Very low120 Ų120138.1 Ų138.164%0.64275%0.747SS**  trans56.7110.4159.2-78-52.4000121.4
545K28Very low29.7Very low172 Ų172136.3 Ų136.375%0.74875%0.753SS**  42.7108.4121.3-55.6172-171.41710118
546H31Very low30Very low179 Ų179139 Ų13983%0.82976%0.763SS**  -173.1135.195.5-113.3-83.8000113.1
547T32Very low29.9Very low121 Ų121140.4 Ų140.474%0.74276%0.759SS**  trans-85.5156.3153.345.80000109.1
548P35.9Very low30.4Very low103 Ų103143.4 Ų143.467%0.66977%0.769SS**  -154.2149.397.138.2-19.7000118.1
549N29.3Very low30.5Very low137 Ų137141.5 Ų141.573%0.73376%0.761SS**  trans65.8160.7148.2-56-13.5000117.7
550L31.7Very low30.6Very low146 Ų146141.2 Ų141.276%0.76477%0.766SS**  cis-125.1139.918.5-96.887.1000111.8
551I33.7Very low30.8Very low130 Ų130144 Ų14467%0.66777%0.771SS**  62.413288.4-61.9179.2000112.3
552T33.5Very low30.9Very low114 Ų114145.1 Ų145.170%0.69978%0.776SS**  cis-130.6168.89.236.40000110.6
553N31.9Very low31.1Very low151 Ų151145.1 Ų145.181%0.80778%0.776SS**  cis-169.4165.9-21.6-99.53.8000107.8
554G31Very low31.5Very low83 Ų83151.5 Ų151.586%0.85679%0.785SS**  trans157.556.6171.900000115.2
555S29.2Very low31.5Very low116 Ų116151.8 Ų151.881%0.81180%0.796SS**  trans-97.1134.8-163.455.30000115.9
556Q33Very low31.9Very low204 Ų204148.6 Ų148.695%0.95380%0.802SS**  trans-148.6139.3140.6-115.2172.51300111
557E26.5Very low32Very low152 Ų152146.3 Ų146.371%0.7179%0.786SS**  trans-92143.9-171.5-58172.988.300113.2K559E557-K559 VanDerWaalsContact OE1-CE 3.3Å; E557-K559 WeakPolarHBondContact OE1-CE 3.33Å; E557-K559 IonicContact OE1-NZ 3.62Å
558I34Very low32.1Very low170 Ų170147.9 Ų147.987%0.87278%0.783SS**  trans-132.7136.5143.1-61.1-175.1000108.5
559K31.1Very low32Very low164 Ų164146.5 Ų146.571%0.71379%0.787SS**  trans-91138.1-170.8-73.5167.5177.1157.90112.9E557E557-K559 VanDerWaalsContact OE1-CE 3.3Å; E557-K559 WeakPolarHBondContact OE1-CE 3.33Å; E557-K559 IonicContact OE1-NZ 3.62Å
560F27.2Very low32.2Very low208 Ų208144.8 Ų144.891%0.91279%0.786SS**  trans-65.4154.1165.6-78.7-92.9000112.4
561K33.1Very low32.2Very low198 Ų198146.5 Ų146.586%0.86179%0.787SS**  trans-136.3119.3160.6-81.5-173.7176.6179.10110.1
562P27.9Very low32.2Very low117 Ų117147.2 Ų147.276%0.7679%0.788SS**  trans-92.4145.4167.434.6-31.4000111.9
563L34.9Very low32.5Very low159 Ų159146.2 Ų146.283%0.83278%0.783SS**  trans-133.5107166.5-68.3173.2000106.8
564R35.9Very low32.6Very low238 Ų238149 Ų14990%0.89878%0.782SS**  65.6107.886-80.2-167.2169.7-165.1-2.5113.6
565S30.9Very low32.9Very low125 Ų125150.5 Ų150.587%0.87477%0.77SS**  trans-81.4163.5161.657.10000111.7
566A36.2Very low33.2Very low106 Ų106150.5 Ų150.588%0.87677%0.766SS**  trans-148.7157.817100000110.9
567R34Very low33.3Very low130 Ų130147 Ų14749%0.49175%0.754SS.*  trans-104.9144-171-74178.3173.9174.5-1.1113.5
568K33.6Very low33.7Very low155 Ų155144.9 Ų144.967%0.67476%0.755SS**  51.5126.5123.9-161161.1178.2158.90120.3
569G34Very low33.6Very low74 Ų74143.8 Ų143.876%0.76375%0.751SS**  trans-164.6153.7163.600000111.4
570S32.9Very low34.2Very low101 Ų101140 Ų14071%0.70674%0.743SS**  trans-154.9147.7-171.4550000112.6
571F32Very low34.6Very low181 Ų181137.1 Ų137.179%0.79474%0.737SS**  trans171.1-177.4136.3-98.4-69.2000111.5
572H33.7Very low34.8Very low146 Ų146134.4 Ų134.468%0.67673%0.733SS**  trans-140.8-159.6-148.2-14614.1000113.6
573P38.7Very low34.8Very low92 Ų92134 Ų13460%0.59773%0.731SS**  -120.7-156.5-107.737.1-17.3000116.5
574R34.7Very low34.7Very low211 Ų211131.6 Ų131.680%0.79673%0.728SS**  trans95.1149.1164.7-64.3-178.2168.1-116.18.2117.3
575D37Very low34.4Very low113 Ų113126.7 Ų126.760%0.60472%0.724SS**  cis-155.3170.3-8.7-105.4-19.1000112.4
576T36.4Very low34.4Very low117 Ų117129 Ų12972%0.71873%0.726SS**  trans-13.1175.4166.540.30000123.7
577D35.4Very low34Very low131 Ų131128.5 Ų128.570%0.70172%0.716SS**  cis-162.6160.415.8-134.8-37.4000117.2
578S35.1Very low33.9Very low106 Ų106128.3 Ų128.374%0.74173%0.733SS**  trans60.8163.6146.374.40000124
579N32Very low33.7Very low147 Ų147125.5 Ų125.579%0.78673%0.733SS**  cis-159.8-140.5-40.4-165.719.2000111.5
580P42.7Very low33.7Very low85 Ų85128 Ų12855%0.55273%0.728SS**  -108.5179.1-124.137.2-19.7000117.6
581D36.3Very low33.7Very low147 Ų147130.8 Ų130.879%0.78673%0.728SS**  174.2150.7115.4-89.4-25.4000117.1
582D35.8Very low33.8Very low142 Ų142131.6 Ų131.676%0.75973%0.734SS**  trans61.5112.8147.8-88.8-7.5000127.8
583C28.5Very low33.6Very low108 Ų108128.2 Ų128.273%0.7374%0.739SS**  77.6148.5115.4-860000127.5
584S32.9Very low33.4Very low108 Ų108132.3 Ų132.376%0.75576%0.755SS**  trans77.7110.2155.168.90000118.2
585V29.5Very low33.2Very low136 Ų136129.2 Ų129.282%0.82475%0.752SS**  87.9117.969.6164.10000113.5
586L31.3Very low33Very low174 Ų174132.4 Ų132.491%0.91176%0.763SS**  trans-168.4144.3130.8-105.3172.2000110.9
587S27Very low32.6Very low95 Ų95131.5 Ų131.566%0.66476%0.762SS**  trans-143.3134.8-173.3590000112.5
588C32.6Very low32.4Very low126 Ų126136.9 Ų136.985%0.85177%0.772SS**  trans-158.7124.1154.5-90.10000106.4
589S30.1Very low32.1Very low96 Ų96138.3 Ų138.367%0.67177%0.77SS**  cis89.5134.928.3-53.30000114.6
590D32.6Very low32.1Very low126 Ų126137.5 Ų137.567%0.67477%0.773SS**  trans71.4145.1163.3-76.415.8000119.1
591K33.8Very low31.7Very low159 Ų159140.7 Ų140.769%0.69178%0.781SS**  cis-169.1177.7-20.5-120.8-179.5-165.288.50108.3
592Q34.7Very low31.4Very low198 Ų198139.9 Ų139.993%0.92578%0.783SS**  trans72.8141.8171.4-52-179.610.900115.9
593G29.5Very low31.2Very low75 Ų75141.2 Ų141.277%0.77379%0.789SS**  trans-146.3171.5175.200000110.2
594L33.4Very low31.1Very low178 Ų178142 Ų14293%0.93279%0.794SS**  trans-145.4138.8176.6-113159.4000110.3
595I30.2Very low31.2Very low146 Ų146142.5 Ų142.575%0.74980%0.798SS**  trans-69.6137.7178-62.3157.1000108.9
596H33Very low31.2Very low180 Ų180142 Ų14283%0.83379%0.789SS**  -177.4158.1126.4-98.882.1000111.5
597S27.8Very low31.1Very low98 Ų98139.7 Ų139.769%0.68579%0.788SS**  trans-89.6146.6-174.349.20000113.5
598R31.5Very low31.3Very low244 Ų244143 Ų14392%0.92179%0.793SS**  trans-172.3149.9139.7-100.4148.7-158.7-152.54.3113.9
599I29.5Very low31.3Very low137 Ų137142.1 Ų142.170%0.70379%0.788SS**  trans-57.7142-179-57.1145.9000112.6Q601I599-Q601 HydrophobicContact CG2-CG 4.06Å; I599-Q601 PolarHBondContact O-N 2.9Å
600P31.4Very low31.4Very low129 Ų129144.9 Ų144.984%0.83880%0.795SS**  trans-81.497157.532.7-29.5000110.2
601Q33.8Very low31.5Very low153 Ų153143 Ų14372%0.71579%0.792SS**PPolyproline II helixtrans-85.4151.1157.4-78.5-165.6-17.100109.1I599 L603I599-Q601 HydrophobicContact CG2-CG 4.06Å; I599-Q601 PolarHBondContact O-N 2.9Å; Q601-L603 PolarHBondContact O-N 3.37Å
602P30.1Very low31.5Very low130 Ų130142 Ų14284%0.84479%0.794SS**PPolyproline II helixtrans-61.8120.4175.525.4-33.4000110.5
603L31.7Very low31.4Very low169 Ų169138.5 Ų138.589%0.88578%0.782SS**PPolyproline II helixtrans-84.9129.1-177.1-85.8160.6000111.7Q601Q601-L603 PolarHBondContact O-N 3.37Å
604C27.4Very low31.6Very low124 Ų124141.3 Ų141.384%0.83878%0.779SS**PPolyproline II helixtrans-74.5139.9167.7-63.40000111.4
605S33.8Very low31.5Very low119 Ų119138.2 Ų138.283%0.83277%0.767SS**  trans-123.883172.856.60000112.5
606I29.3Very low31.5Very low125 Ų125137 Ų13764%0.64176%0.762SS**  trans1.4136.7149.9-61162.2000117.8
607S30.8Very low31.6Very low126 Ų126136 Ų13688%0.88176%0.758SS**  trans-145.2142.6134.9-83.90000111.3
608H30.4Very low31.8Very low166 Ų166135.5 Ų135.577%0.76975%0.754SS**  trans-91.6155-156.4-48.7-96.3000114.9
609S32.2Very low31.9Very low107 Ų107131.4 Ų131.475%0.74875%0.745SS**  -171.3126.8115.260.20000113.7
610N32.5Very low32.1Very low153 Ų153132.3 Ų132.382%0.81874%0.744SS**  trans32.5143136.8-61.9-1.6000121.7
611S33.9Very low32.1Very low86 Ų86133 Ų13360%0.60174%0.736SS**  cis-177.9151.7-5.850.70000111.3
612N33.9Very low32Very low139 Ų139132 Ų13274%0.74374%0.735SS**  trans64.1151.1153.1-60.3-8.5000118.7
613N32.9Very low32.1Very low125 Ų125131.2 Ų131.267%0.66872%0.724SS**  cis-166.7158.1-27.1-107.3-9.5000108.2
614N33.7Very low32.1Very low133 Ų133129.8 Ų129.871%0.71171%0.713SS**  trans66.6123.4160-64.67.1000115.8
615T30.9Very low32.4Very low113 Ų113130 Ų13069%0.69371%0.706SS**  57.7138.475.662.60000114
616D31Very low32.4Very low120 Ų120130.5 Ų130.564%0.64270%0.699SS**  cis-155170.910.3-137.3-40.8000112.9
617H35.1Very low32.3Very low160 Ų160128.8 Ų128.874%0.74170%0.698SS**  trans59.8159.5155.4-65.13.9000118.3
618S31.9Very low32.5Very low87 Ų87131 Ų13161%0.60869%0.694SS**  cis-171.2168.2-34.664.20000106.8
619H34.4Very low32.6Very low158 Ų158131.4 Ų131.473%0.73170%0.697SS**  trans55.1107.5151.4-75-34.2000120.4
620K33.6Very low32.4Very low156 Ų156134.1 Ų134.168%0.67870%0.702SS**  126.3128.894.1-93.5177.6-179.5-179.20116.3
621Q31.5Very low32.6Very low144 Ų144132 Ų13267%0.67370%0.696SS**  trans86.1111.7131.9-76.7-179.2-53.600120.7
622L31.4Very low32.5Very low132 Ų132135.5 Ų135.569%0.69171%0.707SS**  84.5133.6123.4-68.5170.4000118.4
623N32.8Very low32.3Very low114 Ų114138.2 Ų138.261%0.6171%0.708SS**  trans70.8143.6145.3-69.839.5000117.2
624E31.5Very low32.1Very low138 Ų138140.2 Ų140.265%0.64571%0.713SS**  cis-165.3161.8-18.4-126.7165.6-172.400108.7
625N31.9Very low32Very low129 Ų129138.3 Ų138.369%0.6971%0.71SS**  trans66.1156.1152.5-58.5-24.1000121.2
626D33.9Very low32Very low130 Ų130137.5 Ų137.570%0.69571%0.709SS**  trans73.1100.4150.7-72.6-48.8000123.1
627S29.1Very low32Very low89 Ų89138.1 Ų138.162%0.62271%0.711SS**  56.4144.796.8-51.50000120.2
628Q34.3Very low32Very low171 Ų171139.5 Ų139.580%0.79972%0.715SS**  trans83.5141.2175-50.9169.859.700114.2
629Q31.4Very low32Very low176 Ų176139.4 Ų139.482%0.82271%0.714SS**  cis-152.5171.5-12.9-128.7171.52.300111.1
630L29.1Very low32.1Very low164 Ų164139 Ų13986%0.85972%0.718SS**  trans-81.9166.5178.1-85.7169.6000112.7
631P37.1Very low32.1Very low107 Ų107135.3 Ų135.370%0.69571%0.711SS**  trans-94.4179.2-158.539.5-39.4000114.1
632I32.1Very low32.3Very low161 Ų161136.6 Ų136.683%0.82672%0.717SS**  trans-164.5136142.6-106.8151.9000114
633Y29Very low32.5Very low196 Ų196139.8 Ų139.877%0.76973%0.725SS**  trans6.6148.9152.9-89.2-101000124.5
634E29.6Very low32.4Very low167 Ų167144.8 Ų144.878%0.7874%0.737SS**  trans60.2142.9143.2-92.7171-156.800120.1
635S30.2Very low32.8Very low93 Ų93143 Ų14365%0.6574%0.737SS**  cis-174.8154.525.443.20000113.9
636S31Very low32.9Very low95 Ų95142 Ų14266%0.66474%0.74SS**  trans76149.2135.279.20000125
637I32.3Very low32.7Very low133 Ų133140 Ų14068%0.68274%0.737SS**  trans90.5126.6134.3-86163.8000121.7
638K33.3Very low33Very low189 Ų189144.2 Ų144.282%0.82274%0.744SS**  trans69.1150161.5-74.7158.7-165.3166.90118.5
639S33Very low32.9Very low85 Ų85143.4 Ų143.459%0.59474%0.74SS**  cis-175.3163.7-18.751.50000111.8
640N36Very low32.9Very low151 Ų151139 Ų13981%0.80773%0.729SS**  trans71.9151.9156.8-63.4-13.5000117.7
641S33.9Very low33.2Very low78 Ų78138.4 Ų138.455%0.54573%0.725SS.*  cis-172.1153.7-19.652.50000111.5
642H36.1Very low32.9Very low170 Ų170141.2 Ų141.279%0.78774%0.735SS**  trans68.9157.8163.9-52.1-49.6000116.3
643K34.3Very low32.9Very low199 Ų199137 Ų13787%0.86573%0.73SS**  cis-148.7146.15.6-139.4162-170.6176.90112.2
644Y31.5Very low33Very low219 Ų219135.9 Ų135.986%0.85973%0.734SS**  trans-74.1-177.1171.4-96.4-67.9000113
645P40.9Very low33Very low100 Ų100132.9 Ų132.965%0.64973%0.732SS**  cis-142-171.4-18.234.8-13.7000116.1
646S33.6Very low33Very low108 Ų108137 Ų13776%0.75574%0.738SS**  trans78.9157.2138.781.80000119.2
647S29.7Very low33Very low90 Ų90137.9 Ų137.963%0.62974%0.739SS**  cis-174.1178-23.353.90000109.9
648K34.3Very low32.8Very low176 Ų176138.7 Ų138.777%0.76574%0.74SS**  trans75.3153.4169.3-59.5167179.1-176.60115.1
649Q33.8Very low32.5Very low154 Ų154135.5 Ų135.572%0.7273%0.731SS**  cis-158125.6-13.4-109168-68.600105.6
650S29.6Very low32.4Very low84 Ų84141.1 Ų141.159%0.58774%0.739SS**  84.1147.872.9800000115.5
651I35.5Very low31.9Very low152 Ų152140.4 Ų140.478%0.77974%0.735SS**  trans81111.6167.8-56.2163.2000112.8
652N30.9Very low31.8Very low166 Ų166142.7 Ų142.789%0.88874%0.742SS**  78.9132.262.8-85-3.3000115.2
653G33.1Very low31.6Very low71 Ų71139.7 Ų139.773%0.73274%0.74SS**  trans145.366.3-179.900000112.1
654M30.6Very low31.5Very low173 Ų173137.4 Ų137.485%0.85274%0.735SS**  53.9116.488.1-80.5-173.76100116.3
655S29.4Very low31.5Very low105 Ų105130.7 Ų130.773%0.73473%0.725SS**  trans68.7160.6150.385.60000115.9
656K29.9Very low31.1Very low178 Ų178134.7 Ų134.777%0.77473%0.733SS**  cis-169.6172.1-16.3-120.3-178.3-179.3-175.30105.9
657T31.2Very low31.1Very low114 Ų114135.1 Ų135.170%0.69973%0.73SS**  trans61.5167.5155.245.70000116.2
658E27.6Very low31.2Very low150 Ų150137 Ų13770%0.70173%0.733SS**  cis-161.4149.9-39.5-112.7177132.200108.4
659I27.7Very low31.1Very low122 Ų122133.2 Ų133.263%0.62673%0.725SS**  trans64.2148.5140.2-67.9169.3000120.2
660R30.4Very low31Very low204 Ų204131.6 Ų131.677%0.7772%0.721SS**  trans72129.4172.6-78.3161.1176138.80.9113.9
661N27.2Very low31.1Very low136 Ų136136.2 Ų136.273%0.72773%0.731SS**  61.3141.159.4-47.515.5000110.4
662D31.6Very low30.9Very low126 Ų126133.7 Ų133.767%0.67473%0.726SS**  cis-150.4156.533-93.1-65.5000112.3
663S30.3Very low30.9Very low107 Ų107131.6 Ų131.675%0.74872%0.72SS**  trans66171.1149.977.30000116.6
664I32.6Very low30.7Very low150 Ų150134.8 Ų134.877%0.76972%0.719SS**  cis-121.6150.33.3-68.5177.3000110.1
665A31.8Very low30.6Very low79 Ų79132.3 Ų132.365%0.65371%0.709SS**  trans-10.6159.6157.400000118.9
666K32.8Very low30.7Very low184 Ų184135.7 Ų135.780%0.871%0.705SS**  cis-173.3145.548.9-144.8148.6-179.6-178.90112.1
667V33.2Very low30.6Very low116 Ų116134.1 Ų134.170%0.70371%0.705SS**  trans57.1122.6140.1163.90000117.6
668N32.3Very low30.8Very low129 Ų129133.7 Ų133.769%0.6970%0.704SS**  cis-167.2168.91.8-127.87000113.5
669T31Very low30.9Very low98 Ų98133.3 Ų133.360%0.60171%0.707SS**  trans10.2141.3143.459.60000119.5
670N31.6Very low31.1Very low120 Ų120136.9 Ų136.964%0.64272%0.718SS**  cis-162.5155.915-116-12.9000109.5
671K32.4Very low31Very low181 Ų181132.3 Ų132.379%0.78772%0.717SS**  43132.494.4-61.5-175.8-170.8179.20114.6
672S31.4Very low31.1Very low98 Ų98130.7 Ų130.769%0.68572%0.716SS**  cis-172139.51.752.20000110.9
673V29.9Very low31Very low123 Ų123136.6 Ų136.675%0.74573%0.729SS**  75.2109.8102.2178.60000116.3
674I29.7Very low31Very low138 Ų138135.9 Ų135.971%0.70872%0.724SS**  trans80.9105.1140-70.2176.9000121.1
675N29Very low31Very low121 Ų121135.8 Ų135.865%0.64773%0.73SS**  71.7141.2124.7-77.9-23.5000125.8
676R30.6Very low31Very low175 Ų175138.5 Ų138.566%0.6673%0.734SS**  trans88.8104.6135.7-81.1163.6-175.1173.7-3.7120.4
677N29.2Very low31Very low145 Ų145137.9 Ų137.978%0.77574%0.739SS**  59.4153.3110.7-66.428.2000120.6
678P35.6Very low30.9Very low105 Ų105142.8 Ų142.868%0.68275%0.745SS**  cis-141.6-164.8-28.936.5-15.9000113.4
679L29.6Very low30.9Very low143 Ų143146.1 Ų146.175%0.74975%0.753SS**  trans85.4120.6154-70.5166.5000121.4
680K30.2Very low31Very low196 Ų196146.3 Ų146.385%0.85276%0.759SS**  trans88.3144139.7-71.1176.8178.2-1720121.5
681S29Very low31Very low109 Ų109150.7 Ų150.776%0.76277%0.768SS**  trans86.274.4158.5-136.90000119.5
682S28.8Very low31Very low101 Ų101147.4 Ų147.471%0.70677%0.765SS**  26.1119.5126.555.80000120.2
683R30.3Very low31Very low251 Ų251150.8 Ų150.895%0.94777%0.774SS**  -153.5138.7122.9-119.5174.2-175.31781.9112.5
684S30.2Very low31Very low92 Ų92153.5 Ų153.564%0.64378%0.784SS**  trans-86.9145.4-174.9470000113
685V33.7Very low30.9Very low147 Ų147151.4 Ų151.489%0.89178%0.781SS**  trans-142.3126.7147-176.10000108
686N31.3Very low31Very low137 Ų137152.7 Ų152.773%0.73379%0.788SS**  trans-71.4148.8179.3-59.7-57.1000112.4
687N32.5Very low31Very low170 Ų170150.7 Ų150.791%0.90979%0.791SS**  trans-161.8130.2130.1-103.4-42.8000112.8
688R31.2Very low31.1Very low220 Ų220152.4 Ų152.483%0.8380%0.796SS**  trans-83.7150-176.4-67.5173.5170168.3-6.8112.6
689K32.2Very low30.9Very low198 Ų198155.4 Ų155.486%0.86180%0.798SS**  trans-144.974138.9-79-160177.4-178.70111.2
690S32.5Very low31Very low102 Ų102154.3 Ų154.371%0.71380%0.803SS**PPolyproline II helixtrans-73.9143.9158.839.90000109.9
691Y31.1Very low31Very low213 Ų213152.2 Ų152.284%0.83580%0.8SS**PPolyproline II helixtrans-86.2151.8172.1-83.4-101.5000110.3
692P33.5Very low31.1Very low112 Ų112151.6 Ų151.673%0.72780%0.796SS**PPolyproline II helixtrans-83.2132.3-169.531.9-34.3000113
693L31.4Very low31.2Very low169 Ų169154 Ų15489%0.88580%0.801SS**PPolyproline II helixtrans-68.4141.8152.7-73.2167000109
694L29.6Very low31.2Very low180 Ų180147.8 Ų147.894%0.94279%0.793SS**  trans-93.5107.7177.7-84.5165.8000110.5
695S27.9Very low31.3Very low94 Ų94150.5 Ų150.566%0.65781%0.805SS**  trans-146.4137.6163.4590000111.4
696N31.1Very low31.2Very low147 Ų147153 Ų15379%0.78680%0.804SS**  trans64.7128.6168-52.2-25.5000118.4
697D30.2Very low31.1Very low134 Ų134154.6 Ų154.672%0.71781%0.813SS**  178.1124.199.3-117.6-0.9000114
698M31.8Very low31.1Very low180 Ų180150.3 Ų150.389%0.88781%0.808SS**  trans-143.358.8163-93.5-58175.700114
699K30.1Very low31Very low169 Ų169145.7 Ų145.774%0.73581%0.805SS**  trans35.3117.8137.5-60169.9-177.1167.10120.1
700S33.5Very low31Very low120 Ų120143 Ų14384%0.83980%0.799SS**  178.1161.4125.643.50000112.2
701L30Very low30.9Very low151 Ų151143 Ų14379%0.79180%0.799SS**  cis-168.3119.1-47-141.6162.8000108.1
702S30.6Very low30.8Very low97 Ų97138.7 Ų138.768%0.67880%0.795SS**  trans62.5154.5169.767.90000118.4
703N31.6Very low30.7Very low152 Ų152142.6 Ų142.681%0.81380%0.801SS**  cis-159.6149.2-14.4-103-7.7000109.2
704P29.6Very low30.6Very low119 Ų119139 Ų13977%0.77380%0.796SS**  trans-103.9138.718036.6-31.5000114.9
705V32.3Very low30.8Very low150 Ų150135.4 Ų135.491%0.90979%0.785SS**  trans-140.1148.7166.7-176.70000110.9
706K32.4Very low31Very low200 Ų200138.3 Ų138.387%0.8779%0.793SS**  trans-78.2163.2-161.6-61.9172.3177.1177.60116.3
707N28.1Very low31Very low170 Ų170136.5 Ų136.591%0.90978%0.783SS**  trans-56.6153.9171.6-62.9-13000114.8
708G32.4Very low31.3Very low79 Ų79138.5 Ų138.581%0.81479%0.786SS**  trans-165.4128.1162.200000110.8
709T28.5Very low31.2Very low123 Ų123135.1 Ų135.176%0.75578%0.78SS**  trans-96.3149.5-172.755.20000112.7
710N32.8Very low31.5Very low141 Ų141131.8 Ų131.875%0.75478%0.775SS**  166.2121.7120-80.8-10.2000115.5
711S30.5Very low31.6Very low102 Ų102134.6 Ų134.671%0.71377%0.772SS**  trans59.4115134.569.60000124.7
712V29.1Very low31.7Very low124 Ų124133.5 Ų133.575%0.75277%0.767SS**  93.1132.9116.6169.70000122.3
713K30.8Very low31.8Very low193 Ų193138 Ų13884%0.83978%0.775SS**  trans63.6118.2167.1-77.9162.3-176.6176.10117.1
714A30.7Very low31.7Very low95 Ų95136 Ų13679%0.78577%0.768SS**  cis86.712026.500000116.5
715S32.4Very low31.9Very low103 Ų103135.4 Ų135.472%0.7277%0.767SS**  167.2141.1112.878.50000113.7
716L32.9Very low31.9Very low155 Ų155132.9 Ų132.981%0.81276%0.756SS**  trans61.1153.2153.3-83.283.9000120
717D31Very low31.9Very low110 Ų110128.5 Ų128.559%0.58875%0.751SS**  cis-168.9168-25.7-158.11.3000111.2
718K35.7Very low32.2Very low175 Ų175125.2 Ų125.276%0.76174%0.741SS**  trans68.4135.4156.6-73.3148.6-179127.60122.4
719S30.3Very low32.3Very low109 Ų109126.5 Ų126.576%0.76274%0.737SS**  trans-114-160.7160.558.10000108
720P37.3Very low32.5Very low99 Ų99125 Ų12564%0.64373%0.732SS**  cis-146.9-167.91.345.5-25.1000117.6
721K34.9Very low32.5Very low179 Ų179126 Ų12678%0.77874%0.737SS**  trans76.2120.9147.2-79.5172.9-179.2177.20124
722N32.3Very low32.6Very low128 Ų128126.3 Ų126.368%0.68474%0.739SS**  trans57.9128.3130.4-55.711.8000123.3
723F31.3Very low32.7Very low192 Ų192125.7 Ų125.784%0.84274%0.74SS**  -171.3-166.5100-111-81.7000112.6
724T31.2Very low33Very low109 Ų109121.8 Ų121.867%0.66973%0.734SS**  trans-129.5177.6-145.558.10000117.9
725S32.3Very low33Very low107 Ų107122.5 Ų122.575%0.74873%0.734SS**  trans74.2150.7153.426.30000119.1
726S33.2Very low33.2Very low98 Ų98122.7 Ų122.769%0.68574%0.735SS**  cis-171.2166.7-8.247.80000112.9
727S33Very low33.2Very low108 Ų108124.4 Ų124.476%0.75574%0.739SS**  trans63.7152.3152470000120.7
728S34.2Very low33.6Very low100 Ų100124.9 Ų124.970%0.69975%0.748SS**  cis-174161.5-16.752.60000112.3
729S33.9Very low33.4Very low106 Ų106121.6 Ų121.674%0.74175%0.747SS**  trans62.9152.8151.653.70000121
730S33.2Very low33.2Very low92 Ų92122.2 Ų122.264%0.64375%0.746SS**  cis-179.2164.9-17.656.80000111.8
731L32.3Very low32.8Very low163 Ų163123.3 Ų123.385%0.85375%0.751SS**  trans70.1153.1161.1-62.4159.5000117.3
732S32.8Very low32.5Very low107 Ų107119.5 Ų119.575%0.74875%0.747SS**  cis-164.2160-13.846.60000112.7
733S30.2Very low32.6Very low112 Ų112118 Ų11878%0.78375%0.747SS**  trans-79-161.7177.7-35.50000113.6
734P38.7Very low32.6Very low110 Ų110114 Ų11471%0.71474%0.742SS**  cis-142.4-179-8.742.1-23.3000117.8
735S30.7Very low32.9Very low111 Ų111116.8 Ų116.878%0.77675%0.752SS**  trans70.8154.2152.775.90000118.5
736S35.9Very low33.1Very low106 Ų106116.6 Ų116.674%0.74175%0.751SS**  cis-162148.836.3490000116.6
737Q32Very low33.2Very low192 Ų192116.5 Ų116.590%0.89775%0.751SS**  trans48.1156.4153.7-73-167.6-80.700124.9
738P39.1Very low33Very low119 Ų119119.6 Ų119.677%0.77376%0.758SS**  trans-118.8174.8-173.143.9-32.5000115.2
739S31.6Very low32.9Very low107 Ų107119.8 Ų119.875%0.74876%0.759SS**  trans-155.5144154.4520000114.1
740T27.1Very low32.6Very low122 Ų122121.2 Ų121.275%0.74876%0.763SS**  trans7.4150.2147.757.20000120.4
741T29.6Very low32.6Very low121 Ų121126.5 Ų126.574%0.74278%0.775SS**  cis-164.117838.3-230000113.1
742S28.2Very low32.3Very low99 Ų99126 Ų12669%0.69277%0.772SS**  trans-26.2159160.556.30000117.7
743S34.5Very low32.1Very low98 Ų98130.5 Ų130.569%0.68578%0.779SS**  cis-165.7135.430.3-0.40000108.4
744S30.8Very low32Very low106 Ų106129.6 Ų129.674%0.74177%0.772SS**  84.7154.165.684.20000114.8
745L37.4Very low31.5Very low168 Ų168131.4 Ų131.488%0.8878%0.776SS**  trans77.7133.4-163-50.7174.7000113.8
746S36.4Very low31.5Very low103 Ų103131 Ų13172%0.7277%0.773SS**  cis-170.8149.3-7.144.30000110.5
747S35Very low31.2Very low97 Ų97132.3 Ų132.368%0.67878%0.777SS**  cis-176129.8-14500000112.3
748L29.3Very low31.1Very low173 Ų173127.3 Ų127.391%0.90677%0.768SS**  trans67.6149.8160.1-79.380.5000118.6
749S32.6Very low30.9Very low104 Ų104130.5 Ų130.573%0.72777%0.769SS**  cis-146.6136.7-0.254.70000113.5
750T27.6Very low31.1Very low136 Ų136130.9 Ų130.983%0.83477%0.77SS**  trans-93.5146.2157.438.40000110.6
751K31.9Very low31.3Very low202 Ų202132 Ų13288%0.87877%0.77SS**  trans-124.699.5165.1-94.9-171.5174.1-178.20110.3
752L26.2Very low31.4Very low152 Ų152132.7 Ų132.780%0.79677%0.768SS**  trans-66.7144153.9-67.8156.9000108.5
753F28.4Very low31.6Very low203 Ų203138.3 Ų138.389%0.8978%0.775SS**  trans-159108.3138.5-102.1-62.4000110.6
754S29.9Very low31.6Very low93 Ų93138.1 Ų138.165%0.6577%0.773SS**  trans-96.4153.5164.949.40000110.1
755N27.1Very low31.8Very low147 Ų147140.7 Ų140.779%0.78678%0.778SS**  trans174.7128.4144.2-87.4-26.6000107.5
756S30.4Very low31.4Very low103 Ų103136.3 Ų136.372%0.7277%0.774SS**  86.4132.650.1-173.30000113.4
757V30.1Very low31.3Very low134 Ų134139.8 Ų139.881%0.81278%0.783SS**  trans146.5132.2136.8166.30000108.6
758A30.9Very low31.2Very low86 Ų86144.5 Ų144.571%0.71179%0.792SS**  cis-143.5158.614.700000115.1
759K34.9Very low31.2Very low186 Ų186140.9 Ų140.981%0.80978%0.781SS**  trans-127.4148.4142.2-76.7-174.9177.2-178.70108.1L761K759-L761 WeakPolarHBondContact O-CD1 3.49Å
760P35.6Very low31Very low116 Ų116144.6 Ų144.675%0.75378%0.784SS**  trans-75.9141.8152.3-10.228.7000109.2
761L31Very low31Very low145 Ų145148.5 Ų148.576%0.75978%0.783SS**  cis60.9129.341.9-73.179.7000112.3K759K759-L761 WeakPolarHBondContact O-CD1 3.49Å
762L31.4Very low30.8Very low135 Ų135147.2 Ų147.271%0.70778%0.781SS**  cis-155.4-179.7-1.7-98.4168.4000105.9
763R32.9Very low30.8Very low218 Ų218148 Ų14882%0.82378%0.778SS**  cis-162.7168.424.3-142.9164.4-155.61726110
764S33.4Very low30.7Very low93 Ų93144.5 Ų144.565%0.6577%0.768SS**  trans-80.2158.3175.759.10000114
765N34.8Very low30.7Very low160 Ų160147.2 Ų147.286%0.85677%0.773SS**  -177.5135.9113.3-86.1-10.7000111.3
766G30Very low30.7Very low76 Ų76147.3 Ų147.378%0.78477%0.769SS**  trans-116.9153.4172.100000111.7
767L35.2Very low30.7Very low176 Ų176148.3 Ų148.392%0.92177%0.771SS**  trans-139.3160168.3-106.2173.3000111.7
768K31.1Very low30.5Very low197 Ų197148.1 Ų148.186%0.85777%0.765SS**  trans-100.9157.6-168.6-55.9160.2-176.7170.30109.8
769S29.7Very low30.5Very low97 Ų97150.1 Ų150.168%0.67876%0.764SS**  161.2118.4108.4-176.90000115.6
770K28.1Very low30.4Very low181 Ų181150 Ų15079%0.78776%0.764SS**  trans44.9120.4135.7-57.8175.3179.1173.40121.5
771R27.6Very low30.2Very low218 Ų218149.9 Ų149.982%0.82377%0.765SS**  64.2156118.6-70.7-173.5163.7-169.7-4121.2
772Q28.6Very low30.3Very low176 Ų176148.5 Ų148.582%0.82277%0.765SS**  trans78.1145.8158.7-76162.7-42.100116.9
773K26.4Very low30.2Very low168 Ų168149 Ų14973%0.7377%0.768SS**  cis175125.8-33.9158.6177.2175.9-173.60105.4
774L26.3Very low30Very low130 Ų130144.6 Ų144.668%0.68176%0.76SS**  trans57.2125.3154.4-161.781.4000117.6
775I30.1Very low29.7Very low150 Ų150146.4 Ų146.477%0.76976%0.762SS**  179.1136.5115.3-91.5159.3000108.2
776E27.2Very low29.4Very low148 Ų148144 Ų14469%0.69275%0.754SS**  trans-73.2159.3174.1-52.1118.1113.500111.3
777T28.7Very low29.3Very low124 Ų124147.4 Ų147.476%0.76175%0.754SS**  -175.2126.7111.721.60000113.1
778N27Very low29.2Very low130 Ų130144.3 Ų144.370%0.69575%0.747SS**  trans20.8127.4131.4-49.1-25.7000116.8
779N30.1Very low29.2Very low129 Ų129145.3 Ų145.369%0.6975%0.745SS**  -171142.274.9-95.5-84.2000114.2
780K32.4Very low29.4Very low184 Ų184147.3 Ų147.380%0.874%0.744SS**  trans61.8101.3139.5-63.8175.5-176.4179.60120.9
781S31.4Very low29.4Very low113 Ų113145.5 Ų145.579%0.7974%0.738SS**  -54.1159.3127.7-17.90000110.6
782P35Very low29.6Very low116 Ų116142.1 Ų142.175%0.75373%0.732SS**  -152.8149.565.740-19.9000118.6
783N28Very low29.7Very low144 Ų144138.4 Ų138.477%0.7773%0.725SS**  52.2162.8121.3-146.15.5000122.9
784I28.5Very low30Very low126 Ų126137.2 Ų137.265%0.64673%0.726SS**  trans82.499.9155.7-71.4155000119.5
785N27.3Very low30.4Very low131 Ų131137.3 Ų137.370%0.70173%0.726SS**  80.1135.7123.8-68.84.8000126
786T28Very low30.4Very low111 Ų111137.8 Ų137.868%0.68173%0.73SS**  trans82.1123.1132.449.70000124.3
787N28.3Very low30.6Very low146 Ų146134.3 Ų134.378%0.78173%0.734SS**  62104.3128-56-10.3000121.9
788S34.1Very low30.7Very low111 Ų111136.1 Ų136.178%0.77674%0.739SS**  -156130.8126.6-29.30000108.1
789R30Very low30.7Very low219 Ų219137.6 Ų137.683%0.82675%0.746SS**  59.2133.983-65.3-178.2179.6176.20.1113.5
790Q33.9Very low30.7Very low139 Ų139135.6 Ų135.665%0.6575%0.747SS**  cis-150.7148.87.6-111.5151.5-4200109
791Q29.1Very low30.5Very low142 Ų142136 Ų13666%0.66475%0.749SS**  45.513597-65.2169.2-88.800113.9
792E32Very low30.3Very low148 Ų148135.1 Ų135.169%0.69274%0.743SS**  cis-165.9143.116.9-131.3153.8-152.600112.7
793S30.8Very low29.9Very low97 Ų97136.5 Ų136.568%0.67874%0.744SS**  trans53.5163.813178.50000122
794L32.8Very low29.8Very low143 Ų143134.4 Ų134.475%0.74974%0.74SS**  cis-147.9156.514.9-91.8176.9000112.7
795I34.8Very low29.6Very low133 Ų133134.7 Ų134.768%0.68275%0.748SS**  trans66.5105.9141.8-65.4166.9000121.2
796N28.8Very low29.6Very low160 Ų160135 Ų13586%0.85676%0.755SS**  19.8138.1126.4-50.7-8.8000121.7
797G31.2Very low29.4Very low75 Ų75138.9 Ų138.977%0.77376%0.763SS**  trans-174.290.2159.800000114.4
798N30.6Very low29.4Very low161 Ų161141.6 Ų141.686%0.86177%0.768SS**  trans-67.9150.1170.8-69.3-28.1000111.1
799L28.6Very low29Very low161 Ų161146.2 Ų146.284%0.84377%0.774SS**  163106.397.5-167.669.7000114.8
800A28.5Very low28.9Very low87 Ų87141.4 Ų141.472%0.71977%0.774SS**  trans63.9165.3142.700000123.5
801K29.1Very low28.5Very low192 Ų192140.7 Ų140.784%0.83578%0.779SS**  trans82.384.8155.3-75.5176.1179.5176.40120.9
802S26.8Very low28.5Very low95 Ų95141.7 Ų141.766%0.66479%0.789SS**  80.4133.7104.869.90000122.1
803N26.9Very low28.2Very low146 Ų146142.1 Ų142.178%0.78180%0.796SS**  trans94.5123.5143.3-66.9-3.6000121.3
804S26.3Very low28Very low99 Ų99144.8 Ų144.869%0.69280%0.801SS**  trans68.9101.8139.559.60000121
805T23.7Very low27.7Very low132 Ų132143.4 Ų143.481%0.8180%0.804SS**  6694.3115.8-44.20000119.1
806T27.2Very low27.4Very low137 Ų137144.7 Ų144.784%0.8481%0.811SS**  trans-145.3145.2137.45.40000111.5
807K24.6Very low27.1Very low194 Ų194144.4 Ų144.484%0.84381%0.809SS**  trans-81.6138.2178.5-61.5169.4179.6172.90110.2
808F26.8Very low26.9Very low203 Ų203146.1 Ų146.189%0.8981%0.81SS**  trans-132.7133.8151.1-92.1-81.4000111.2
809K26.7Very low26.8Very low207 Ų207146.5 Ų146.590%0.981%0.81SS**  trans-94.5132.9164.4-90.5-172.7169.1-169.80108
810S28Very low26.7Very low119 Ų119144 Ų14483%0.83281%0.805SS**  trans-152117.6149.253.60000109.4
811T24.4Very low26.9Very low123 Ų123145 Ų14576%0.75580%0.803SS**  trans-65.9150.7166.543.20000110.8
812N29Very low27.5Very low164 Ų164142.6 Ų142.688%0.87780%0.799SS**  trans-157.8120.8145.4-97.7-21.7000108.6
813D25.9Very low27.9Very low157 Ų157140.3 Ų140.384%0.8479%0.791SS**  trans-78.3134.1175.9-56.9-80.1000110.7
814I27.2Very low28.5Very low153 Ų153141.4 Ų141.479%0.78579%0.789SS**  trans-131100.5158.3-59.7-177.6000107.5L816I814-L816 HydrophobicContact CG2-CG 4.5Å
815S25.5Very low29Very low114 Ų114143.8 Ų143.880%0.79779%0.789SS**  trans-78.7123172.8570000110.7
816L28.8Very low29.8Very low160 Ų160143 Ų14384%0.83877%0.774SS**  trans-121.6109.4164.7-75.8174.7000110.1I814I814-L816 HydrophobicContact CG2-CG 4.5Å
817N24.3Very low30.6Very low154 Ų154141.9 Ų141.982%0.82476%0.763SS**  trans-70.2168.1160.9-84.4-30.6000110.2
818S26.4Very low31.3Very low111 Ų111140.6 Ų140.678%0.77675%0.754SS**  trans71.990.2170.8650000118.2
819I27Very low32.3Very low169 Ų169133.8 Ų133.887%0.86773%0.726SS**  -122.8141.2125.2-74.895.7000106.5
820S27.1Very low33.4Very low107 Ų107127.2 Ų127.275%0.74870%0.701SS**  trans-102.4133.4-175.558.60000112.9
821T34Very low34.5Very low109 Ų109126.1 Ų126.167%0.66969%0.689SS**  trans-107.9-2.1177.5460000114.7G823T821-G823 PolarHBondContact O-N 3.49Å
822D41.7Very low35.7Very low141 Ų141125.1 Ų125.175%0.75467%0.674SS**THydrogen-bonded Turntrans-52.1-19.3-174.6-91.5-26.2000116.6
823G34.9Very low36.5Very low47 Ų47118.2 Ų118.249%0.48564%0.638SS.*THydrogen-bonded Turntrans-73.7-65.4-179.900000112.9T821 Q825 K826 D827T821-G823 PolarHBondContact O-N 3.49Å; G823-Q825 VanDerWaalsContact C-N 3.34Å; G823-Q825 PolarHBondContact O-N 3.44Å; G823-K826 PolarHBondContact O-N 3.04Å; G823-K826 VanDerWaalsContact O-N 3.12Å; G823-D827 PolarHBondContact O-N 3.02Å
824K38.6Very low37.8Very low170 Ų170116.9 Ų116.974%0.73963%0.626SS**Hα-helixtrans-60.1-41.8-168.8-68-169.9175.2-171.30112.9K826 D827 Y828K824-K826 PolarHBondContact O-N 2.76Å; K824-D827 PolarHBondContact O-N 2.78Å; K824-Y828 VanDerWaalsContact O-CD2 3.28Å; K824-Y828 WeakPolarHBondContact O-CD2 3.41Å; K824-Y828 PolarHBondContact O-N 2.86Å
825Q37.6Very low38.7Very low148 Ų148112.6 Ų112.669%0.69261%0.61SS**Hα-helixtrans-64.5-27.2-176.8-156.1167.77.700112.2G823 L829G823-Q825 VanDerWaalsContact C-N 3.34Å; G823-Q825 PolarHBondContact O-N 3.44Å; Q825-L829 PolarHBondContact O-N 2.86Å
826K41Very low39.8Very low116 Ų116109.1 Ų109.150%0.50458%0.582SS.*Hα-helixtrans-81.3-35.2178.7-169.5158.2-169.5145.20113.6E52 G823 K824 N830E52-K826 IonicContact OE2-NZ 2.63Å; G823-K826 PolarHBondContact O-N 3.04Å; G823-K826 VanDerWaalsContact O-N 3.12Å; K824-K826 PolarHBondContact O-N 2.76Å; K826-N830 PolarHBondContact O-N 2.82Å; K826-N830 VanDerWaalsContact O-N 3.08Å; K826-N830 PolarHBondContact O-ND2 2.77Å
827D42.5Very low40.6Very low113 Ų113103.8 Ų103.860%0.60456%0.558SS**Hα-helixtrans-66.3-43.6175.3-67.3-33.6000111G823 K824 N830 V831G823-D827 PolarHBondContact O-N 3.02Å; K824-D827 PolarHBondContact O-N 2.78Å; D827-N830 PolarHBondContact O-N 3.41Å; D827-V831 WeakPolarHBondContact O-CG2 3.5Å; D827-V831 PolarHBondContact O-N 2.73Å; D827-V831 VanDerWaalsContact O-N 3.08Å
828Y40.9Very low41.7Very low168 Ų168101.8 Ų101.866%0.65954%0.544SS*.Hα-helixtrans-58.6-47.8173.8-82.3-65.9000112.6K824 N830 V831 F832K824-Y828 VanDerWaalsContact O-CD2 3.28Å; K824-Y828 WeakPolarHBondContact O-CD2 3.41Å; K824-Y828 PolarHBondContact O-N 2.86Å; Y828-N830 VanDerWaalsContact C-N 3.28Å; Y828-N830 PolarHBondContact O-N 3.07Å; Y828-V831 PolarHBondContact O-N 3.3Å; Y828-F832 PolarHBondContact O-N 2.74Å
829L47.6Very low42.5Very low59 Ų59100.2 Ų100.231%0.30952%0.524SS..Hα-helixtrans-59.6-38.7178.1-173.261.6000111.8E52 Q825 F832 N833E52-L829 HydrophobicContact CB-CD2 4.47Å; Q825-L829 PolarHBondContact O-N 2.86Å; L829-F832 PolarHBondContact O-N 3.17Å; L829-N833 WeakPolarHBondContact O-CB 3.22Å; L829-N833 VanDerWaalsContact O-CG 3.26Å; L829-N833 PolarHBondContact O-N 2.67Å; L829-N833 PolarHBondContact O-ND2 2.91Å
830N48.9Very low43Very low69 Ų6995.2 Ų95.237%0.36950%0.504SS..Hα-helixtrans-66.6-39.4176.3-88.8-96.4000113E52 K826 D827 Y828 Q834E52-N830 PolarHBondContact OE1-ND2 3.13Å; K826-N830 PolarHBondContact O-N 2.82Å; K826-N830 VanDerWaalsContact O-N 3.08Å; K826-N830 PolarHBondContact O-ND2 2.77Å; D827-N830 PolarHBondContact O-N 3.41Å; Y828-N830 VanDerWaalsContact C-N 3.28Å; Y828-N830 PolarHBondContact O-N 3.07Å; N830-Q834 WeakPolarHBondContact O-CB 3.34Å; N830-Q834 PolarHBondContact O-N 3.2Å
831V51.8Low43.9Very low96 Ų9696 Ų9658%0.58249%0.494SS*.Hα-helixtrans-67.5-40176.9173.70000111.6D827 Y828 Q834 S835D827-V831 WeakPolarHBondContact O-CG2 3.5Å; D827-V831 PolarHBondContact O-N 2.73Å; D827-V831 VanDerWaalsContact O-N 3.08Å; Y828-V831 PolarHBondContact O-N 3.3Å; V831-Q834 PolarHBondContact O-N 3.07Å; V831-S835 PolarHBondContact O-N 3.34Å; V831-S835 VanDerWaalsContact O-N 3.09Å; V831-S835 PolarHBondContact O-OG 3.32Å
832F48.1Very low44.1Very low102 Ų10295.8 Ų95.845%0.44749%0.488SS..Hα-helixtrans-62.6-53176.1-176.2-106.1000111.8L55 Y828 L829 Q834 S835 I836L55-F832 HydrophobicContact CD1-CZ 4.33Å; Y828-F832 PolarHBondContact O-N 2.74Å; L829-F832 PolarHBondContact O-N 3.17Å; F832-Q834 VanDerWaalsContact C-N 3.29Å; F832-Q834 PolarHBondContact O-N 2.85Å; F832-S835 WeakPolarHBondContact O-CB 3.23Å; F832-S835 PolarHBondContact O-N 3.2Å; F832-S835 VanDerWaalsContact O-N 3.11Å; F832-I836 HydrophobicContact CD1-CD1 3.77Å; F832-I836 HydrophobicContact CE1-CD1 3.35Å; F832-I836 HydrophobicContact CE2-CD1 4.26Å; F832-I836 HydrophobicContact CG-CD1 4.39Å; F832-I836 HydrophobicContact CZ-CD1 3.64Å; F832-I836 PolarHBondContact O-N 3.5Å; F832-I836 VanDerWaalsContact O-N 3.07Å
833N47.3Very low44.1Very low20 Ų2093.7 Ų93.711%0.10748%0.475CS..Hα-helixtrans-62.8-34.7179-68.5-31.7000112.4E52 L829 S837E52-N833 WeakPolarHBondContact CA-ND2 3.43Å; L829-N833 WeakPolarHBondContact O-CB 3.22Å; L829-N833 VanDerWaalsContact O-CG 3.26Å; L829-N833 PolarHBondContact O-N 2.67Å; L829-N833 PolarHBondContact O-ND2 2.91Å; N833-S837 VanDerWaalsContact O-CB 3.23Å; N833-S837 WeakPolarHBondContact O-CB 3.18Å; N833-S837 PolarHBondContact O-N 3.03Å
834Q53.6Low44.4Very low129 Ų12996.4 Ų96.460%0.60348%0.479SS*.Hα-helixtrans-68-34.9175.9-165.3170.7121.800112.5N830 V831 F832 Q838N830-Q834 WeakPolarHBondContact O-CB 3.34Å; N830-Q834 PolarHBondContact O-N 3.2Å; V831-Q834 PolarHBondContact O-N 3.07Å; F832-Q834 VanDerWaalsContact C-N 3.29Å; F832-Q834 PolarHBondContact O-N 2.85Å; Q834-Q838 WeakPolarHBondContact O-CG 3.49Å; Q834-Q838 PolarHBondContact O-N 3.34Å
835S45Very low44.4Very low63 Ų6394.2 Ų94.244%0.44147%0.471SS..Hα-helixtrans-67.3-48.2174.1-61.60000111.8V831 F832 S837 Q838 Q839V831-S835 PolarHBondContact O-N 3.34Å; V831-S835 VanDerWaalsContact O-N 3.09Å; V831-S835 PolarHBondContact O-OG 3.32Å; F832-S835 WeakPolarHBondContact O-CB 3.23Å; F832-S835 PolarHBondContact O-N 3.2Å; F832-S835 VanDerWaalsContact O-N 3.11Å; S835-S837 VanDerWaalsContact C-N 3.31Å; S835-S837 PolarHBondContact O-N 3.11Å; S835-Q838 WeakPolarHBondContact O-CB 3.23Å; S835-Q838 PolarHBondContact O-N 3.09Å; S835-Q839 PolarHBondContact O-N 3.33Å; S835-Q839 VanDerWaalsContact O-N 3.11Å
836I48.9Very low44.5Very low40 Ų4091 Ų9121%0.20546%0.461CS..Hα-helixtrans-60.3-42.5175.3-67.1167.1000110.6L55 F832 Q838 Q839 C840L55-I836 HydrophobicContact CD1-CD1 3.82Å; L55-I836 HydrophobicContact CD2-CD1 4.24Å; L55-I836 HydrophobicContact CG-CD1 3.98Å; F832-I836 HydrophobicContact CD1-CD1 3.77Å; F832-I836 HydrophobicContact CE1-CD1 3.35Å; F832-I836 HydrophobicContact CE2-CD1 4.26Å; F832-I836 HydrophobicContact CG-CD1 4.39Å; F832-I836 HydrophobicContact CZ-CD1 3.64Å; F832-I836 PolarHBondContact O-N 3.5Å; F832-I836 VanDerWaalsContact O-N 3.07Å; I836-Q838 PolarHBondContact O-N 3Å; I836-Q839 PolarHBondContact O-N 3.04Å; I836-Q839 VanDerWaalsContact O-N 3.1Å; I836-C840 WeakPolarHBondContact O-CB 3.28Å; I836-C840 PolarHBondContact O-N 3.24Å
837S45.3Very low44.2Very low49 Ų4989.8 Ų89.834%0.34346%0.461SS..Hα-helixtrans-61.3-25.9176.4-167.60000113.4N833 S835 K841N833-S837 VanDerWaalsContact O-CB 3.23Å; N833-S837 WeakPolarHBondContact O-CB 3.18Å; N833-S837 PolarHBondContact O-N 3.03Å; S835-S837 VanDerWaalsContact C-N 3.31Å; S835-S837 PolarHBondContact O-N 3.11Å; S837-K841 VanDerWaalsContact O-CD 3.23Å; S837-K841 WeakPolarHBondContact O-CD 3.1Å; S837-K841 WeakPolarHBondContact O-CG 3.48Å; S837-K841 PolarHBondContact O-N 3.16Å; S837-K841 PolarHBondContact O-NZ 3.37Å; S837-K841 PolarHBondContact OG-NZ 2.66Å
838Q47.4Very low43.9Very low111 Ų11188 Ų8852%0.51946%0.457SS..Hα-helixtrans-78.7-41172.2-71.6178.85000111.9Q834 S835 I836 K841 L842Q834-Q838 WeakPolarHBondContact O-CG 3.49Å; Q834-Q838 PolarHBondContact O-N 3.34Å; S835-Q838 WeakPolarHBondContact O-CB 3.23Å; S835-Q838 PolarHBondContact O-N 3.09Å; I836-Q838 PolarHBondContact O-N 3Å; Q838-K841 WeakPolarHBondContact O-CB 3.36Å; Q838-K841 PolarHBondContact O-N 3.04Å; Q838-K841 VanDerWaalsContact O-N 3.13Å; Q838-L842 PolarHBondContact O-N 3.41Å
839Q42.5Very low43.5Very low79 Ų7984.2 Ų84.237%0.36945%0.451SS..Hα-helixtrans-64.6-43.3175.6-63.1-160.9-9.400112.3Q307 S835 I836 K841 L842 I843Q307-Q839 VanDerWaalsContact CD-NE2 3.25Å; S835-Q839 PolarHBondContact O-N 3.33Å; S835-Q839 VanDerWaalsContact O-N 3.11Å; I836-Q839 PolarHBondContact O-N 3.04Å; I836-Q839 VanDerWaalsContact O-N 3.1Å; Q839-K841 PolarHBondContact O-N 3.18Å; Q839-L842 PolarHBondContact O-N 3.49Å; Q839-L842 VanDerWaalsContact O-N 3.07Å; Q839-I843 WeakPolarHBondContact O-CG1 3.25Å; Q839-I843 PolarHBondContact O-N 3.08Å
840C39.3Very low42.6Very low64 Ų6485.9 Ų85.943%0.43247%0.465SS..Hα-helixtrans-59.6-31.2172.5-71.80000112.4I836 N844I836-C840 WeakPolarHBondContact O-CB 3.28Å; I836-C840 PolarHBondContact O-N 3.24Å; C840-N844 WeakPolarHBondContact O-CB 3.48Å; C840-N844 PolarHBondContact O-N 2.64Å; C840-N844 VanDerWaalsContact O-N 3.16Å; C840-N844 PolarHBondContact O-ND2 3.03Å
841K45.4Very low41.6Very low123 Ų12387.9 Ų87.954%0.53548%0.479SS..Hα-helixtrans-72.6-40.9172.4-74.3164.6-172.9125.90112.1S837 Q838 Q839 N844 Q845S837-K841 VanDerWaalsContact O-CD 3.23Å; S837-K841 WeakPolarHBondContact O-CD 3.1Å; S837-K841 WeakPolarHBondContact O-CG 3.48Å; S837-K841 PolarHBondContact O-N 3.16Å; S837-K841 PolarHBondContact O-NZ 3.37Å; S837-K841 PolarHBondContact OG-NZ 2.66Å; Q838-K841 WeakPolarHBondContact O-CB 3.36Å; Q838-K841 PolarHBondContact O-N 3.04Å; Q838-K841 VanDerWaalsContact O-N 3.13Å; Q839-K841 PolarHBondContact O-N 3.18Å; K841-N844 PolarHBondContact O-N 2.79Å; K841-Q845 WeakPolarHBondContact O-CB 3.47Å; K841-Q845 WeakPolarHBondContact O-CG 3.46Å; K841-Q845 PolarHBondContact O-N 2.75Å
842L38.8Very low40.5Very low105 Ų10591.9 Ų91.955%0.5549%0.489SS..Hα-helixtrans-63.7-47.7175.7-76.6163.5000112Q838 Q839 N844 Q845 V846Q838-L842 PolarHBondContact O-N 3.41Å; Q839-L842 PolarHBondContact O-N 3.49Å; Q839-L842 VanDerWaalsContact O-N 3.07Å; L842-N844 VanDerWaalsContact C-N 3.34Å; L842-N844 PolarHBondContact O-N 3.11Å; L842-Q845 WeakPolarHBondContact O-CB 3.45Å; L842-Q845 PolarHBondContact O-N 2.91Å; L842-Q845 VanDerWaalsContact O-N 3.09Å; L842-V846 WeakPolarHBondContact O-CG2 3.41Å; L842-V846 PolarHBondContact O-N 3.26Å
843I41.1Very low39.5Very low96 Ų9696.7 Ų96.749%0.49251%0.51SS..Hα-helixtrans-60.6-43.4177-66.5167.2000110.6Q839 Q845 V846 N847Q839-I843 WeakPolarHBondContact O-CG1 3.25Å; Q839-I843 PolarHBondContact O-N 3.08Å; I843-Q845 VanDerWaalsContact C-N 3.35Å; I843-Q845 PolarHBondContact O-N 3.08Å; I843-V846 PolarHBondContact O-N 3.25Å; I843-N847 WeakPolarHBondContact O-CB 3.04Å; I843-N847 VanDerWaalsContact O-CG 3.25Å; I843-N847 PolarHBondContact O-N 2.92Å; I843-N847 PolarHBondContact O-ND2 3.49Å
844N39.9Very low38.7Very low105 Ų105104.9 Ų104.956%0.56155%0.545SS*.Hα-helixtrans-69.4-27.8174.9-78.8-65.2000113.5C840 K841 L842 S848C840-N844 WeakPolarHBondContact O-CB 3.48Å; C840-N844 PolarHBondContact O-N 2.64Å; C840-N844 VanDerWaalsContact O-N 3.16Å; C840-N844 PolarHBondContact O-ND2 3.03Å; K841-N844 PolarHBondContact O-N 2.79Å; L842-N844 VanDerWaalsContact C-N 3.34Å; L842-N844 PolarHBondContact O-N 3.11Å; N844-S848 VanDerWaalsContact O-CB 3.28Å; N844-S848 WeakPolarHBondContact O-CB 3.13Å; N844-S848 PolarHBondContact O-N 3.44Å; N844-S848 PolarHBondContact O-OG 2.75Å
845Q40.1Very low37.5Very low123 Ų123107.1 Ų107.158%0.57556%0.555SS**Hα-helixtrans-71-40.8170.5-80.8-178.7-14.500112.3K841 L842 I843 S848 T849K841-Q845 WeakPolarHBondContact O-CB 3.47Å; K841-Q845 WeakPolarHBondContact O-CG 3.46Å; K841-Q845 PolarHBondContact O-N 2.75Å; L842-Q845 WeakPolarHBondContact O-CB 3.45Å; L842-Q845 PolarHBondContact O-N 2.91Å; L842-Q845 VanDerWaalsContact O-N 3.09Å; I843-Q845 VanDerWaalsContact C-N 3.35Å; I843-Q845 PolarHBondContact O-N 3.08Å; Q845-S848 WeakPolarHBondContact CA-OG 3.39Å; Q845-S848 PolarHBondContact O-N 2.94Å; Q845-S848 PolarHBondContact O-OG 3.19Å; Q845-T849 WeakPolarHBondContact O-CB 3.41Å; Q845-T849 WeakPolarHBondContact O-CG2 3.29Å; Q845-T849 PolarHBondContact O-N 3.03Å; Q845-T849 PolarHBondContact O-OG1 3.22Å
846V39.6Very low36.7Very low80 Ų80116 Ų11649%0.48558%0.579SS.*Hα-helixtrans-63.3-46.6173.8173.40000110.4L842 I843 S848 T849 T850L842-V846 WeakPolarHBondContact O-CG2 3.41Å; L842-V846 PolarHBondContact O-N 3.26Å; I843-V846 PolarHBondContact O-N 3.25Å; V846-S848 VanDerWaalsContact C-N 3.31Å; V846-S848 PolarHBondContact O-N 3.12Å; V846-T849 WeakPolarHBondContact CA-OG1 3.18Å; V846-T849 PolarHBondContact O-N 3.28Å; V846-T849 PolarHBondContact O-OG1 3.31Å; V846-T849 VanDerWaalsContact O-OG1 3.1Å; V846-T850 HydrophobicContact CG1-CG2 4.33Å; V846-T850 WeakPolarHBondContact O-CG2 3.49Å; V846-T850 PolarHBondContact O-N 3.36Å; V846-T850 PolarHBondContact O-OG1 2.9Å
847N34.8Very low35.7Very low91 Ų91120.9 Ų120.949%0.48761%0.606SS.*Hα-helixtrans-68.4-24.9179-67.3-14.5000113.8I843 T851I843-N847 WeakPolarHBondContact O-CB 3.04Å; I843-N847 VanDerWaalsContact O-CG 3.25Å; I843-N847 PolarHBondContact O-N 2.92Å; I843-N847 PolarHBondContact O-ND2 3.49Å; N847-T851 PolarHBondContact O-OG1 3.45Å
848S35.4Very low34.9Very low76 Ų76126.1 Ų126.153%0.53162%0.624SS.*Hα-helixtrans-91.9-8.117558.20000114.7N844 Q845 V846N844-S848 VanDerWaalsContact O-CB 3.28Å; N844-S848 WeakPolarHBondContact O-CB 3.13Å; N844-S848 PolarHBondContact O-N 3.44Å; N844-S848 PolarHBondContact O-OG 2.75Å; Q845-S848 WeakPolarHBondContact CA-OG 3.39Å; Q845-S848 PolarHBondContact O-N 2.94Å; Q845-S848 PolarHBondContact O-OG 3.19Å; V846-S848 VanDerWaalsContact C-N 3.31Å; V846-S848 PolarHBondContact O-N 3.12Å
849T32Very low34Very low88 Ų88125.4 Ų125.454%0.5463%0.632SS.*Hα-helixtrans-99-31.8172.3460000112.8Q845 V846 T851Q845-T849 WeakPolarHBondContact O-CB 3.41Å; Q845-T849 WeakPolarHBondContact O-CG2 3.29Å; Q845-T849 PolarHBondContact O-N 3.03Å; Q845-T849 PolarHBondContact O-OG1 3.22Å; V846-T849 WeakPolarHBondContact CA-OG1 3.18Å; V846-T849 PolarHBondContact O-N 3.28Å; V846-T849 PolarHBondContact O-OG1 3.31Å; V846-T849 VanDerWaalsContact O-OG1 3.1Å; T849-T851 PolarHBondContact O-N 2.73Å
850T28.5Very low33.3Very low95 Ų95127.8 Ų127.858%0.58365%0.652SS**G310 helixtrans-70.2-14.7177.9490000114.5V846 K852V846-T850 HydrophobicContact CG1-CG2 4.33Å; V846-T850 WeakPolarHBondContact O-CG2 3.49Å; V846-T850 PolarHBondContact O-N 3.36Å; V846-T850 PolarHBondContact O-OG1 2.9Å; T850-K852 VanDerWaalsContact C-N 3.3Å; T850-K852 PolarHBondContact O-N 3.05Å
851T28.9Very low32.8Very low110 Ų110132 Ų13268%0.67567%0.669SS**G310 helixtrans-85.613.6-179.841.10000114.8N847 T849N847-T851 PolarHBondContact O-OG1 3.45Å; T849-T851 PolarHBondContact O-N 2.73Å
852K29Very low31.9Very low180 Ų180130.1 Ų130.178%0.78367%0.671SS**G310 helixtrans-139.328.3-176.9-75.6-168.3-179.7173.70117.3T850T850-K852 VanDerWaalsContact C-N 3.3Å; T850-K852 PolarHBondContact O-N 3.05Å
853F26.6Very low31.3Very low204 Ų204132.9 Ų132.990%0.89569%0.687SS**  trans-109.1106.4163.9-84.2-84.9000111.5
854K30.7Very low30.7Very low192 Ų192131.7 Ų131.784%0.83570%0.698SS**  trans-108.5139.7174.8-171.5172.3-173.9173.10108.2
855E27.9Very low30.2Very low176 Ų176134.3 Ų134.382%0.82271%0.712SS**  trans-55.1142.7-166.8-56.9127.8119.100113.5
856R29Very low29.7Very low248 Ų248135.9 Ų135.994%0.93672%0.719SS**  trans-137.2125.4145.8-92.1-157.2176.283.11.3110.4
857D27.6Very low29.1Very low144 Ų144137.5 Ų137.577%0.7773%0.725SS**  trans-87.7177.3-175.7-139.1-25.4000112.1
858Q29.2Very low28.8Very low158 Ų158138.9 Ų138.974%0.73873%0.732SS**  trans76.892.6156.7-75.116544.900120.7
859S27.5Very low28.6Very low97 Ų97141.7 Ų141.768%0.67874%0.741SS**  85.2133.5102.7760000122.6
860V27.7Very low28.5Very low129 Ų129145 Ų14578%0.78276%0.755SS**  trans85.2141136.6161.10000119.3
861L28.9Very low28.5Very low152 Ų152146.2 Ų146.280%0.79677%0.765SS**  trans72.5105.5-173-49.1-177.1000114.8
862S26.3Very low28.5Very low84 Ų84146.8 Ų146.859%0.58777%0.772SS**  cis85.8127.631.788.60000116.2
863N27.2Very low28.6Very low162 Ų162143.9 Ų143.987%0.86677%0.769SS**  trans73133.3163.3-49.7-17.4000116.6
864G26.8Very low28.7Very low72 Ų72140 Ų14074%0.74276%0.764SS**  trans-169.7-19.1-177.500000121.4
865L30Very low28.7Very low160 Ų160135.9 Ų135.984%0.83876%0.758SS**  trans65.7133.8173.2-64158.8000119.1
866H29.3Very low28.6Very low156 Ų156134.4 Ų134.472%0.72276%0.755SS**  9.1144.6129.7-69.4-69.1000119.2
867N28.6Very low28.6Very low114 Ų114129 Ų12961%0.6175%0.745SS**  cis-167.8154.622.3-123.7-7.4000114
868N28Very low28.8Very low119 Ų119127.9 Ų127.964%0.63674%0.739SS**  trans59.9134.8140.2-64.4-8.2000124.2
869N30.2Very low28.9Very low135 Ų135129 Ų12972%0.72274%0.741SS**  trans70.590.3143.3-56.8-4.4000120.7
870N29.8Very low29Very low157 Ų157133.2 Ų133.284%0.8475%0.751SS**  176.4136.896.3-93.6-21.3000113.4
871P30.2Very low29.2Very low121 Ų121132.7 Ų132.779%0.78675%0.75SS**  trans-92.4141166.935.3-30.9000111.9
872C28.9Very low29.2Very low122 Ų122134 Ų13482%0.82476%0.756SS**  trans-160.5110.5166.9-132.90000115.7
873V30.1Very low29.2Very low119 Ų119136.9 Ų136.972%0.72176%0.764SS**  trans53.7123.7141.1-175.30000121.3
874P29.9Very low29Very low122 Ų122133.7 Ų133.779%0.79275%0.754SS**  trans-96.2143.1162.136.6-30.9000114
875C28.7Very low28.9Very low106 Ų106136.7 Ų136.772%0.71676%0.758SS**  trans-153.2125167.6-88.80000107.6
876L27Very low28.8Very low145 Ų145137.3 Ų137.376%0.75976%0.757SS**  102.9140.154.4-94.7173.8000112.8
877N27.8Very low28.6Very low134 Ų134135.6 Ų135.672%0.71776%0.759SS**  trans74138.5170.9-49.2-43.4000116.4
878N32.7Very low28.6Very low122 Ų122138.4 Ų138.465%0.65277%0.773SS**  cis-147.4152.519.1-91.3-66000113.8
879K30.3Very low28.5Very low180 Ų180138.2 Ų138.278%0.78378%0.78SS**  trans22.3131.1132.3-44.4172-172.9177.90117.8
880E30.8Very low28.3Very low187 Ų187138.4 Ų138.487%0.87478%0.776SS**  -160.8160.256.9-77.7-176.7149.800113.1
881P31Very low28.3Very low117 Ų117139.2 Ų139.276%0.7678%0.781SS**  trans-106153.9176.139-31.9000114.3
882I30.6Very low28.2Very low180 Ų180140.3 Ų140.392%0.92377%0.773SS**  trans-158.3154.9157.9-108.3149.5000113.3
883N25.1Very low28.2Very low144 Ų144141.9 Ų141.977%0.7777%0.768SS**  trans-81.5149.9-160.7-107.2-11.8000118.3
884C23.3Very low28.2Very low95 Ų95144.7 Ų144.764%0.64278%0.777SS**  trans56.7143.8133.4-650000124.6
885T25.4Very low28.1Very low135 Ų135144.7 Ų144.783%0.82877%0.77SS**  trans62.2128.4149.451.60000117.9
886Q26.4Very low28Very low174 Ų174145.8 Ų145.881%0.81377%0.769SS**  cis-14716632.6-74.9-170.1-40.100113
887P26.7Very low28.1Very low119 Ų119147 Ų14777%0.77378%0.776SS**  trans-73.9147.1165.632.8-35.6000111.9
888L27.8Very low28Very low174 Ų174145.2 Ų145.291%0.91177%0.77SS**  trans-131121.2169.1-91.1169.2000111
889C26Very low27.9Very low115 Ų115145 Ų14578%0.77778%0.777SS**  trans-84.6177.1174.3-65.60000112
890E25.1Very low27.6Very low138 Ų138143.2 Ų143.265%0.64578%0.777SS**  trans76.1110.9167-50.8-152117.900118K892E890-K892 VanDerWaalsContact OE1-CE 3.27Å; E890-K892 WeakPolarHBondContact OE1-CE 3.38Å; E890-K892 IonicContact OE1-NZ 2.77Å; E890-K892 PolarHBondContact OE1-NZ 2.54Å
891N30Very low27.5Very low175 Ų175141.6 Ų141.694%0.93677%0.774SS**  -134.9124.4124.9-110.9-47.4000108.8
892K29.1Very low27.2Very low144 Ų144140 Ų14063%0.62677%0.766SS**  trans-113155.2-179.7-71.6174.4173.71450110.5E890E890-K892 VanDerWaalsContact OE1-CE 3.27Å; E890-K892 WeakPolarHBondContact OE1-CE 3.38Å; E890-K892 IonicContact OE1-NZ 2.77Å; E890-K892 PolarHBondContact OE1-NZ 2.54Å
893H27.7Very low27Very low155 Ų155138.3 Ų138.372%0.71876%0.757SS**  trans60.7105.5159.4-61.2-59.2000119.9L895H893-L895 HydrophobicContact CB-CB 4.44Å
894I30.8Very low27Very low178 Ų178136.8 Ų136.891%0.91375%0.753SS**  trans-12695.1131.1-55.9176.8000103.9
895L27Very low27.1Very low122 Ų122138.4 Ų138.464%0.63976%0.76SS**  cis84.697.444.1-144.1178.9000112.1H893H893-L895 HydrophobicContact CB-CB 4.44Å
896N27Very low27.2Very low128 Ų128138 Ų13868%0.68475%0.753SS**  trans26.2131.8162.4-59.6-7.1000121.1V898N896-V898 HydrophobicContact CB-CG2 4.16Å
897N29.8Very low27.4Very low172 Ų172135.2 Ų135.292%0.9274%0.744SS**  trans-112.4116.4131-127.3-12.8000108.4
898V25.7Very low27.4Very low96 Ų96135.7 Ų135.758%0.58274%0.74SS**  trans-107.4130.7176164.80000108.3N896 N900N896-V898 HydrophobicContact CB-CG2 4.16Å; V898-N900 HydrophobicContact CG1-CB 4.33Å
899S29.7Very low27.4Very low116 Ų116134 Ų13481%0.81173%0.731SS**  trans-128.866.4168.2650000111.1N901S899-N901 PolarHBondContact O-N 3.14Å; S899-N901 VanDerWaalsContact O-N 3.16Å
900N25Very low27.5Very low144 Ų144136.1 Ų136.177%0.7773%0.728SS**  trans-69.6102.7162.7-87.1-15.4000109V898V898-N900 HydrophobicContact CG1-CB 4.33Å
901N28.7Very low27.6Very low152 Ų152135.7 Ų135.781%0.81373%0.727SS**  trans-167.6144.9163.3-95.6-37.1000108.1S899S899-N901 PolarHBondContact O-N 3.14Å; S899-N901 VanDerWaalsContact O-N 3.16Å
902S25.1Very low27.5Very low84 Ų84132.7 Ų132.759%0.58771%0.711SS**  cis-172.4176.2-24.244.70000106.9
903I26.7Very low27.4Very low144 Ų144132.1 Ų132.174%0.73871%0.714SS**  trans6080.9160.1-61.9158.9000114.2
904T24.2Very low27.4Very low113 Ų113129.5 Ų129.569%0.69371%0.713SS**  65.1137.392.762.70000117.6
905T25.6Very low27.2Very low129 Ų129128.5 Ų128.579%0.79170%0.702SS**  trans69.9147.7169.669.20000116.4
906N27.7Very low27.3Very low127 Ų127128 Ų12868%0.67970%0.7SS**  cis-147.6147.12.6-136.5-1.4000114.7
907N29.4Very low27.2Very low115 Ų115127.1 Ų127.162%0.61570%0.703SS**  trans38.2109.6142-71.1-13.8000121.6
908N26.9Very low27.1Very low128 Ų128125.7 Ų125.768%0.68469%0.693SS**  79.5140.9113.7-59.2-19.7000121.8
909N29.1Very low27.3Very low138 Ų138129.5 Ų129.574%0.73870%0.702SS**  trans85.896.3140.1-74.2-17.1000121.3
910K27.5Very low27.1Very low160 Ų160129.9 Ų129.970%0.69669%0.691SS**  84135.897.2-155.3-162.5-170.1-148.10118
911M26.4Very low27.3Very low129 Ų129129.1 Ų129.164%0.63568%0.683SS**  trans74.2118150.8-89166.515900119.6
912D28.2Very low27.5Very low113 Ų113128.4 Ų128.460%0.60467%0.672SS**  103.3112.6115.7-70.8-4.6000122.7
913I28Very low27.6Very low131 Ų131131.2 Ų131.267%0.67268%0.677SS**  60.4105.5118.3-57.2166.7000116.5
914S26.5Very low27.8Very low101 Ų101130.5 Ų130.571%0.70667%0.673SS**  trans72.7172.6143.1900000116.5
915K28.1Very low28.2Very low156 Ų156131.6 Ų131.668%0.67867%0.67SS**  cis-161.7169.7-8.5-136.6163156.7-103.20109.4
916D27.7Very low28.5Very low113 Ų113130.7 Ų130.760%0.60466%0.661SS**  trans59.2152.4145.2-63.5-28.6000121
917C26.3Very low28.7Very low109 Ų109130.5 Ų130.574%0.73666%0.656SS**  trans69.4114.8155.3-69.50000119.2
918I27.5Very low28.8Very low141 Ų141133.5 Ų133.572%0.72366%0.66SS**  84.5136.359.8-74.9170.6000111.7
919K28.2Very low28.9Very low176 Ų176133.7 Ų133.777%0.76566%0.66SS**  trans69.8155.4168.1-78.5170.2166.5-155.50115
920Q27.4Very low28.8Very low124 Ų124133 Ų13358%0.57966%0.661SS**  cis-159.3172.2-13.4-132166.3-77.700107.5
921E28.9Very low29Very low128 Ų128132.8 Ų132.860%0.59867%0.666SS**  trans68.9164146-74.6172.3-162.200116.9
922K32.9Very low29.1Very low137 Ų137132.6 Ų132.660%0.59667%0.668SS**  cis-148.1131.2-4.7-121.6164.9177.4144.80108.2
923E27.5Very low29.3Very low144 Ų144133.4 Ų133.467%0.67367%0.672SS**  75.4137.697.6-87.1-171.7155.200116.9
924L30.2Very low29.2Very low128 Ų128135.3 Ų135.367%0.6768%0.678SS**  trans69.8158.5147.3-63.4166.3000116.9
925H33.1Very low29.4Very low136 Ų136135.3 Ų135.363%0.6368%0.679SS**  cis-148.7154.85.7-126.3-54.8000109.9
926N31.2Very low29.7Very low110 Ų110135.3 Ų135.359%0.58869%0.686SS**  trans64.5162.7148.4-718.5000119.4
927E31Very low30.1Very low124 Ų124133.1 Ų133.158%0.57968%0.684SS**  cis-156.2168.3-27.1-90.6154.9125.400103.5
928Y32.3Very low30.5Very low177 Ų177134.4 Ų134.469%0.69468%0.683SS**  cis-159156.838.8-113.3-81.3000110.9
929L29.9Very low31Very low133 Ų133134.4 Ų134.470%0.69668%0.68SS**  trans-0.3123.5155.1-81.855000118.9
930T26.4Very low31.5Very low122 Ų122131.1 Ų131.175%0.74867%0.671SS**  63.1131.576.367.70000117.6
931L32.2Very low32.1Very low156 Ų156132.3 Ų132.382%0.81768%0.676SS**  trans176.6131.1133.8-89.3160000106.7
932N27.6Very low32.5Very low125 Ų125131.1 Ų131.167%0.66867%0.674SS**  58.8137.989.2-85.959000114.1
933D32.5Very low32.7Very low130 Ų130128.1 Ų128.170%0.69567%0.67SS**  cis-12914911-66.7-68.1000110.7
934Q26.5Very low33.2Very low171 Ų171130 Ų13080%0.79967%0.671SS**  40.5106.577.8-72.9-164.75.800116.4
935S31Very low33.3Very low102 Ų102129.8 Ų129.871%0.71367%0.67SS**  164.9150.6104.4560000113.5
936N33.2Very low33.6Very low155 Ų155129.2 Ų129.283%0.82967%0.672SS**  trans56.2145.9145.1-62.7-14000121.8
937A35.8Very low33.8Very low68 Ų68128.3 Ų128.356%0.56267%0.67SS**  cis-170152.4-18.600000109.5
938N35.3Very low33.8Very low136 Ų136130.8 Ų130.873%0.72768%0.679SS**  trans64.3151.8152.7-65.2-2.6000117.6
939H37.5Very low34.1Very low141 Ų141131 Ų13165%0.65368%0.684SS**  cis-150.3155.36.2-120.4-27.7000110
940N38.3Very low34.4Very low107 Ų107131.7 Ų131.757%0.57268%0.683SS**  38.4147.4129.3-61.516.4000120.1
941H41.5Very low34.7Very low148 Ų148131.9 Ų131.969%0.68568%0.679SS**  cis-168.6164.96.6-107.6-38.6000105
942D37.8Very low34.6Very low104 Ų104131.6 Ų131.656%0.55668%0.678SS**  cis-148.7163.9-14.5-145.423.8000107.8R944D942-R944 IonicContact OD2-NH1 3.27Å; D942-R944 PolarHBondContact OD2-NH1 3.45Å
943S37.1Very low34.7Very low74 Ų74128.9 Ų128.952%0.51768%0.68SS.*  trans26.1149.7130.499.60000121.1
944R36.1Very low34.5Very low183 Ų183129.1 Ų129.169%0.69168%0.681SS**  cis-162.8144.125.1-127.8146.8-167.6115.6-3.7106.9D942D942-R944 IonicContact OD2-NH1 3.27Å; D942-R944 PolarHBondContact OD2-NH1 3.45Å
945N34.1Very low34.5Very low123 Ų123127.5 Ų127.566%0.65868%0.675SS**  62.3146.7101-68.647.1000115.6
946D37.7Very low34.4Very low124 Ų124129.4 Ų129.466%0.66368%0.675SS**  cis-152.5146.59.7-123.5-25000115.5
947V36.5Very low34Very low91 Ų91126.6 Ų126.655%0.55266%0.663SS**  trans45.2113.5135164.60000120.8
948K31.5Very low33.6Very low176 Ų176128.7 Ų128.777%0.76567%0.669SS**  27.4125.3126.7-35.5163.5-173.91720117.8
949K38.5Very low33.1Very low181 Ų181130.9 Ų130.979%0.78767%0.672SS**  -152122.5123.9-107.6133.2-168.2173.80110.2
950H36.4Very low32.5Very low148 Ų148128.4 Ų128.469%0.68567%0.671SS**  72.911598-79.3-135.4000111.5
951L31.4Very low31.9Very low127 Ų127132 Ų13267%0.66568%0.681SS**  102.812650.2-94.3166.5000110.4
952N30.3Very low31.1Very low149 Ų149131.2 Ų131.280%0.79768%0.682SS**  trans65.4162.3154.5-60.9-11.5000118.7
953G29.4Very low30.5Very low69 Ų69132 Ų13271%0.71169%0.69SS**  trans104.662.8-176.100000111.7
954N28.3Very low30Very low134 Ų134131.8 Ų131.872%0.71770%0.7SS**  cis60.1118.941.1-161.235000112.8
955M27.1Very low29.6Very low137 Ų137129.7 Ų129.768%0.67570%0.701SS**  trans66.4162.1175.5-54.2155.454.300114.3
956M27.7Very low29.4Very low143 Ų143130 Ų13070%0.70470%0.702SS**  cis-120.2133.9-4.2-94-156.2170.500108.1
957T26.8Very low28.8Very low96 Ų96132 Ų13259%0.58971%0.708SS**  45.2139.181.973.90000115.3
958T26.2Very low28.5Very low112 Ų112134.8 Ų134.869%0.68772%0.718SS**  trans72.2148.6169.884.50000114.1
959K25.4Very low28.2Very low181 Ų181132.3 Ų132.379%0.78771%0.713SS**  cis-162.5160.9-0.3-132164.5-160.3169.70110.7
960S24.6Very low27.8Very low89 Ų89130.4 Ų130.462%0.62271%0.712SS**  trans41.8103.9131.7177.30000118
961K25Very low27.4Very low183 Ų183127.3 Ų127.380%0.79671%0.707SS**  91.6172.591-160.9-171.5-178.4179.50111.4
962L25.6Very low27.3Very low132 Ų132127 Ų12769%0.69171%0.706SS**  trans67.1109.6-176.3-80.749.2000111.6
963T24.7Very low27.3Very low120 Ų120125.4 Ų125.474%0.73670%0.697SS**  57.3106.768.573.50000112.8
964G27Very low27.3Very low70 Ų70128.1 Ų128.172%0.72270%0.695SS**  trans-174.765.118000000109.1
965I27.5Very low27.3Very low138 Ų138129.4 Ų129.471%0.70870%0.696SS**  77.4133.980-64.5163.6000110.7
966N29.4Very low27.2Very low129 Ų129124.8 Ų124.869%0.6968%0.678SS**  trans71112-172.1-53.8-20.2000112.6
967E25Very low27.2Very low167 Ų167124 Ų12478%0.7868%0.675SS**  cis62.2123.448.6-51.1-174.9171.200113.8
968I29.9Very low27.2Very low150 Ų150124.4 Ų124.477%0.76967%0.67SS**  trans154.494.4147-82158.5000104.8
969N26.9Very low27.4Very low124 Ų124124.5 Ų124.566%0.66367%0.666SS**  55.38079.3-61.4-36.1000112.6
970N29.7Very low27.7Very low141 Ų141120.9 Ų120.975%0.75466%0.656SS**  -166.1126.7103.7-83.4-35.6000109
971S27.5Very low28Very low82 Ų82125.7 Ų125.757%0.57366%0.662SS**  cis73.2147.44496.90000113.2
972N29.8Very low28.2Very low121 Ų121122.2 Ų122.265%0.64766%0.656SS**  trans74.1111.8-176.8-49.5-56.4000112.9
973N30Very low28.4Very low115 Ų115122.9 Ų122.962%0.61566%0.66SS**  102.4138.978-79.5-17.8000109.5
974L29.3Very low28.5Very low126 Ų126124.8 Ų124.866%0.6667%0.666SS**  cis-149.1162.710.1-112152.8000112.2
975Q27.5Very low28.6Very low161 Ų161128.5 Ų128.575%0.75268%0.675SS**  trans-11.1121.9147.7-66.51665.100115.9
976S25.1Very low28.7Very low41 Ų41125.4 Ų125.429%0.28768%0.677SS.*  7113196.391.10000117.1
977I27.9Very low28.5Very low127 Ų127125.7 Ų125.765%0.65168%0.683SS**  -172.9119.6104.9-84.7143.8000104.6
978Q28.1Very low28.7Very low103 Ų103125.8 Ų125.848%0.48168%0.683SS.*  76134.961.7-148.5-146.82.300114.8
979N30.5Very low28.7Very low114 Ų114125 Ų12561%0.6168%0.679SS**  trans88.4142.7169-52-19.8000115.9
980N30.5Very low28.9Very low105 Ų105127.3 Ų127.356%0.56169%0.685SS**  cis-174.6158.6-21.5-115.131.7000106.7
981Y30.8Very low28.9Very low191 Ų191127 Ų12775%0.74968%0.683SS**  cis-108.2-156.9-7.6-70.1-100.4000107.6
982T28.6Very low29Very low109 Ų109131.2 Ų131.267%0.66969%0.694SS**  cis73.8151.13.998.70000116.8
983D31.1Very low29Very low147 Ų147133.3 Ų133.379%0.78670%0.702SS**  cis-110.5145.47.3-66.3-42.9000114.7
984N26.1Very low28.8Very low160 Ų160133.9 Ų133.986%0.85671%0.71SS**  trans-127.7138170.2-101.9-3.1000107.9
985T30Very low28.8Very low148 Ų148134.2 Ų134.291%0.90871%0.712SS**  trans-130.473.5163.945.20000110.6
986G28.5Very low28.7Very low73 Ų73134.2 Ų134.275%0.75372%0.717SS**  trans-73.8156.8163.900000111.7
987V25.1Very low29.1Very low135 Ų135138 Ų13882%0.81874%0.738SS**  trans-65.4146.4-179.2176.50000111.6I989V987-I989 HydrophobicContact CG1-CG1 4Å
988H30.3Very low29.1Very low169 Ų169140.9 Ų140.978%0.78275%0.746SS**  trans-134.2106.3154.3-154.5-37000109.5
989I30Very low29.1Very low133 Ų133144.2 Ų144.268%0.68276%0.761SS**  trans-67.5142.1166.7-62.9171.5000107.5V987V987-I989 HydrophobicContact CG1-CG1 4Å
990H31.2Very low29.2Very low172 Ų172146.5 Ų146.580%0.79677%0.773SS**  trans-137.8112.1176.8-149-54.2000109.7
991D29.9Very low29.1Very low134 Ų134148.1 Ų148.172%0.71778%0.782SS**  trans-75.7164-179.6-85.4-56.1000113.7
992E28.3Very low29.2Very low172 Ų172145.4 Ų145.480%0.80478%0.781SS**  trans39.3116166.1-64.7-154.713400119.5
993M30.1Very low29.4Very low165 Ų165145.3 Ų145.381%0.81378%0.776SS**  trans-148.697.7138.3-148.8167.2-70.400112.9L995M993-L995 HydrophobicContact CG-CG 4.43Å; M993-L995 PolarHBondContact O-N 3.18Å
994T26Very low29.3Very low126 Ų126148.2 Ų148.277%0.77378%0.777SS**  trans-73.6114.1171-60.10000109.9
995L29.7Very low29.4Very low133 Ų133147.8 Ų147.870%0.69678%0.775SS**  trans-118.599.7178.8-87.7170.4000112.8M993 V997M993-L995 HydrophobicContact CG-CG 4.43Å; M993-L995 PolarHBondContact O-N 3.18Å; L995-V997 PolarHBondContact O-N 3.31Å; L995-V997 VanDerWaalsContact O-N 3.16Å
996N25.9Very low29.3Very low161 Ų161146.6 Ų146.686%0.86177%0.767SS**  trans-69.3100.7163.6-87.5-28.3000110.2
997V32.9Very low29.1Very low120 Ų120147.5 Ų147.573%0.72777%0.767SS**  trans-126.376.7168-169.30000111.3L995L995-V997 PolarHBondContact O-N 3.31Å; L995-V997 VanDerWaalsContact O-N 3.16Å
998K28.5Very low29.2Very low189 Ų189145.9 Ų145.982%0.82276%0.762SS**  trans39.8117.1132.2-161173.9-175.2177.80118.5
999E27.3Very low29Very low173 Ų173144 Ų14481%0.80876%0.763SS**  trans-51149.7165-55.8166.2125.600113.1
1000N32.6Very low28.8Very low161 Ų161144.8 Ų144.886%0.86177%0.767SS**  trans-147.1128.2146.2-115.1-1.8000108
1001N29.3Very low28.5Very low140 Ų140141 Ų14175%0.74976%0.761SS**  trans-67.6152.6174.7-65.4-47.6000110.5
1002D32.6Very low28.2Very low133 Ų133139.5 Ų139.571%0.71176%0.76SS**  -171.7128.7100.8-100.8-9.8000115
1003N31.6Very low28Very low108 Ų108137.2 Ų137.258%0.57876%0.757SS**  trans65.4116.5139.5-62.2-43.9000121.8
1004Y29.2Very low27.8Very low207 Ų207138.1 Ų138.181%0.81276%0.76SS**  trans43.8145.9131.7-57.1-77.2000120.8
1005L28.9Very low27.9Very low152 Ų152137.5 Ų137.580%0.79676%0.76SS**  cis-153.9161.627.6-168.860.9000111.8
1006T26.7Very low27.9Very low122 Ų122138.6 Ų138.675%0.74876%0.764SS**  trans-87.5140.8-177.3490000115.7
1007A25.5Very low28.2Very low92 Ų92136.8 Ų136.876%0.7675%0.753SS**  trans74.2160140.400000121.8
1008S26.8Very low28.1Very low102 Ų102138.5 Ų138.571%0.71376%0.758SS**  trans82.293.2157.2-58.10000120.8
1009T25.3Very low28.2Very low129 Ų129134.4 Ų134.479%0.79175%0.75SS**  trans71161134.757.40000121.4
1010L26.7Very low28.3Very low149 Ų149132.1 Ų132.178%0.7875%0.748SS**  trans70.483.8159.5-72.7157.9000118.9
1011S24.3Very low28.2Very low93 Ų93130 Ų13065%0.6574%0.741SS**  62.4140.1112.770.60000122.3
1012C23.6Very low28.3Very low103 Ų103129.9 Ų129.970%0.69674%0.741SS**  trans80.7100.1145.7-70.40000120.6
1013T24.7Very low28.3Very low123 Ų123129.8 Ų129.876%0.75575%0.745SS**  90.3145.6118.557.40000122.2
1014Q26.5Very low28.2Very low185 Ų185130.7 Ų130.786%0.86476%0.757SS**  trans77.792.5152.1-77.2171.67.100120.1
1015S27.7Very low28.4Very low112 Ų112124.6 Ų124.678%0.78376%0.757SS**  trans-147.1104.7136.1-162.70000106.3
1016M29.9Very low28.5Very low157 Ų157125.8 Ų125.877%0.77376%0.761SS**  72.3130.782.9-65.4-98.1-89.100111.1
1017I31.5Very low28.7Very low122 Ų122125.5 Ų125.563%0.62676%0.763SS**  cis-155.714314.5-100.8147.5000110.2
1018N30.2Very low28.9Very low156 Ų156130.5 Ų130.583%0.83477%0.768SS**  -171.2144.4124.6-104.6-34.2000112.7
1019P32.3Very low29.1Very low103 Ų103132.6 Ų132.667%0.66978%0.777SS**  trans-115135.5-162.338.6-27.6000116.8
1020V27.6Very low29.2Very low126 Ų126131.6 Ų131.676%0.76477%0.772SS**  27.3127.3123.9-177.90000119
1021T31.3Very low29.5Very low116 Ų116131 Ų13171%0.71278%0.775SS**  -170.5124.6121.815.60000114.4
1022N31Very low29.7Very low138 Ų138133.3 Ų133.374%0.73878%0.779SS**  trans64.3149.6143.4-54.3-15.6000119.1
1023T32.1Very low29.9Very low131 Ų131135.5 Ų135.580%0.80478%0.783SS**  cis-151.7167.49.1-6.50000109.4
1024P30.2Very low30.2Very low126 Ų126134.6 Ų134.682%0.81878%0.777SS**  trans-100.2164.3-156.538.8-36.3000116.9
1025G32.7Very low30.3Very low79 Ų79132.3 Ų132.381%0.81477%0.771SS**  trans-148.9149.2165.500000111.2
1026M31.3Very low30.2Very low178 Ų178135.2 Ų135.288%0.87777%0.772SS**  trans-120.8137.6-167.2-61.4167.96000113.1
1027S31.1Very low30.1Very low116 Ų116135.4 Ų135.481%0.81177%0.771SS**  174.3114.1119.7570000115.8
1028K31.1Very low30Very low196 Ų196138.7 Ų138.785%0.85278%0.784SS**  trans4124.4148-52.9171.6-176.8177.10120.6
1029T29.9Very low29.8Very low146 Ų146140 Ų14090%0.89679%0.787SS**  -158.6142.2115.612.80000111
1030P28.1Very low29.9Very low108 Ų108140.5 Ų140.570%0.70179%0.788SS**  trans-117.8128.3-175.337.7-25.7000115.8
1031T32.8Very low30Very low136 Ų136138.5 Ų138.583%0.83478%0.776SS**  trans-143.897.9162.3-50.90000106.4
1032I28.7Very low30Very low143 Ų143143.8 Ų143.873%0.73378%0.784SS**  76.9122.479.1-66.5172.2000113.2
1033L27.9Very low30.2Very low149 Ų149140.7 Ų140.778%0.7878%0.778SS**  trans81.599.5167.3-103.469.6000122
1034T30.1Very low30.3Very low104 Ų104138.9 Ų138.964%0.63877%0.766SS**  68.1123125.351.30000124
1035N27.9Very low30.4Very low136 Ų136141.9 Ų141.973%0.72776%0.761SS**  trans59.3120.2131.9-54.7-1.3000118.8
1036Q26.7Very low30.6Very low174 Ų174146.2 Ų146.281%0.81376%0.758SS**  60.1137.170-67.2-165.9-600114.9
1037Q28.6Very low30.9Very low160 Ų160143.1 Ų143.175%0.74874%0.744SS**  trans70.772.6175-56.8-177.4-5.600117.2
1038Q27.7Very low31.2Very low192 Ų192143.9 Ų143.990%0.89774%0.735SS**  trans-118.497.4160-73.1-178.4-13.800110
1039M27.5Very low31.5Very low183 Ų183139.8 Ų139.890%0.90172%0.721SS**SBendtrans171.7-16.2161.6-98.7-71.6-92.100112.2
1040V33Very low31.9Very low114 Ų114139 Ų13969%0.69171%0.711SS**SBendtrans-101.5-2.5-172-171.80000113.6
1041V30.5Very low32.3Very low84 Ų84142.2 Ų142.251%0.50971%0.714SS.*Hα-helixtrans-87.7-16.8-165.3-178.60000114.5
1042Y30.6Very low32.6Very low226 Ų226142 Ų14289%0.88671%0.707SS**Hα-helixtrans-87.3-17.9-171.2-104.4-91.8000116.1
1043A35.1Very low33.1Very low73 Ų73141.2 Ų141.260%0.60370%0.704SS**Hα-helixtrans-87-42.1-178.400000113.5R1045A1043-R1045 PolarHBondContact O-N 3.46Å
1044V35.4Very low33.4Very low93 Ų93144.8 Ų144.856%0.56471%0.708SS**Hα-helixtrans-70.1-36.9-166.7-175.40000112.8K1046 I1047V1044-K1046 VanDerWaalsContact C-N 3.26Å; V1044-K1046 PolarHBondContact O-N 3.39Å; V1044-I1047 PolarHBondContact O-N 2.63Å
1045R32.7Very low33.8Very low189 Ų189146.2 Ų146.271%0.71371%0.712SS**Hα-helixtrans-70-10.3-176.3-87.9-175.5171.6174.8-1.2115.9A1043 I1049A1043-R1045 PolarHBondContact O-N 3.46Å; R1045-I1049 WeakPolarHBondContact O-CD1 3.27Å; R1045-I1049 WeakPolarHBondContact O-CG1 3.33Å
1046K35.6Very low34.3Very low171 Ų171145.8 Ų145.874%0.74372%0.717SS**Hα-helixtrans-86.6-26178.8-119-177.5178.5-173.80113.7V1044V1044-K1046 VanDerWaalsContact C-N 3.26Å; V1044-K1046 PolarHBondContact O-N 3.39Å
1047I38.5Very low34.8Very low113 Ų113144.9 Ų144.958%0.57972%0.717SS**Hα-helixtrans-88.5-30.6-174.9-64.5174.2000111.7V1044V1044-I1047 PolarHBondContact O-N 2.63Å
1048E36.5Very low34.9Very low132 Ų132146.2 Ų146.262%0.61772%0.72SS**Hα-helixtrans-80.3-20.1-176.7-157.2160.8-131.400113.6N1052E1048-N1052 PolarHBondContact O-ND2 3.16Å
1049I39Very low35.4Very low109 Ų109145.3 Ų145.356%0.55972%0.721SS**Hα-helixtrans-79.2-38.8175.1-65176.5000111.2R1045 K1051 N1052 L1053R1045-I1049 WeakPolarHBondContact O-CD1 3.27Å; R1045-I1049 WeakPolarHBondContact O-CG1 3.33Å; I1049-K1051 VanDerWaalsContact C-N 3.34Å; I1049-K1051 PolarHBondContact O-N 2.85Å; I1049-N1052 PolarHBondContact O-N 3.2Å; I1049-L1053 HydrophobicContact CG2-CD1 4.28Å
1050L36.6Very low35.9Very low131 Ų131144 Ų14469%0.68676%0.755SS**Hα-helixtrans-70.6-27.3180-77.7165.8000113.3N1052L1050-N1052 VanDerWaalsContact C-N 3.26Å; L1050-N1052 PolarHBondContact O-N 3.37Å
1051K38.2Very low36.1Very low175 Ų175145.5 Ų145.576%0.76176%0.758SS**THydrogen-bonded Turntrans-76.1-7.4175.4-72.5-173.6175.2-177.10114.7I1049I1049-K1051 VanDerWaalsContact C-N 3.34Å; I1049-K1051 PolarHBondContact O-N 2.85Å
1052N38.4Very low36.4Very low131 Ų131148.7 Ų148.770%0.70177%0.771SS**THydrogen-bonded Turntrans-110.68.6-178-77.1-66.7000114.1E1048 I1049 L1050E1048-N1052 PolarHBondContact O-ND2 3.16Å; I1049-N1052 PolarHBondContact O-N 3.2Å; L1050-N1052 VanDerWaalsContact C-N 3.26Å; L1050-N1052 PolarHBondContact O-N 3.37Å
1053L38.8Very low36.7Very low127 Ų127144.4 Ų144.467%0.66577%0.765SS**SBendtrans-113.31.3-175.6-87.1164.4000115.4I1049I1049-L1053 HydrophobicContact CG2-CD1 4.28Å
1054Y35.4Very low36.8Very low223 Ų223148.6 Ų148.688%0.87577%0.774SS**SBendtrans-124.464.9-179-110.2-95.8000111.8
1055N37.9Very low36.9Very low135 Ų135152.1 Ų152.172%0.72279%0.788SS**  trans-154.373.6177.4-151.5-0.6000114L1057N1055-L1057 PolarHBondContact O-N 3.14Å; N1055-L1057 VanDerWaalsContact O-N 3.14Å
1056P37.5Very low37.2Very low126 Ų126149.7 Ų149.782%0.81879%0.793SS**  trans-73.7101172.830.3-32.4000110.4
1057L37.4Very low37.3Very low156 Ų156148.1 Ų148.182%0.81780%0.796SS**  trans-67.2136178.8-92.3164.9000112.2N1055 N1059N1055-L1057 PolarHBondContact O-N 3.14Å; N1055-L1057 VanDerWaalsContact O-N 3.14Å; L1057-N1059 PolarHBondContact O-N 3.49Å
1058K31.6Very low37.2Very low188 Ų188150.8 Ų150.882%0.81781%0.813SS**  trans-63.1129.5163.7-62.3170.4-179.8172.60109.5
1059N37.1Very low37.2Very low172 Ų172152.4 Ų152.492%0.9283%0.829SS**  trans171.998.3138.2-87.4-17000109.2L1057L1057-N1059 PolarHBondContact O-N 3.49Å
1060G39Very low37.1Very low156 Ų156156.4 Ų156.4100%1.60885%0.854SS**  trans172.10-177.700000109.3

Retrieved 1,060 of 1,060 residues in 431.3 ms (Link to these results)

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