A0A077Z9C3_TRITR Loading...

GatB N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9C3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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
1M41.5Very low73.5Confident140 Ų14071.7 Ų71.769%0.6939%0.391SS*.  0131.40-91179.3165.700108.6P3 Q137M1-P3 WeakPolarHBondContact O-CD 3.49Å; M1-Q137 HydrophobicContact CE-CB 4.48Å
2H36.3Very low75.6Confident168 Ų16865.9 Ų65.978%0.77836%0.36SS*.  trans-63.7123166.3-88.5-78.3000108.3L4 S5H2-L4 PolarHBondContact O-N 3.46Å; H2-S5 PolarHBondContact O-N 3.01Å; H2-S5 VanDerWaalsContact O-N 3.14Å
3P43.9Very low77.3Confident129 Ų12960.9 Ų60.984%0.83833%0.333SS*.THydrogen-bonded Turntrans-65.88.6-175.723.1-31.2000115M1M1-P3 WeakPolarHBondContact O-CD 3.49Å
4L49.2Very low78.8Confident170 Ų17059.5 Ų59.589%0.8932%0.323SS*.THydrogen-bonded Turntrans-119.93.3179.4-68.7168.1000113.5H2 S6H2-L4 PolarHBondContact O-N 3.46Å; L4-S6 PolarHBondContact O-N 3.31Å
5S69.7Low80.1Confident45 Ų4555.5 Ų55.532%0.31530%0.301SS..  trans-77120.4176.5-177.30000110.3H2 W7 Q179H2-S5 PolarHBondContact O-N 3.01Å; H2-S5 VanDerWaalsContact O-N 3.14Å; S5-W7 PolarHBondContact O-N 3.38Å; S5-W7 VanDerWaalsContact O-N 3.14Å; S5-W7 WeakPolarHBondContact OG-CB 3.38Å; S5-W7 PolarHBondContact OG-N 3.47Å; S5-Q179 PolarHBondContact O-NE2 2.78Å
6S90.3Very high81.2Confident55 Ų5553.4 Ų53.439%0.38529%0.289SS..  trans-700.9172540000113.3L4 K178 Q179L4-S6 PolarHBondContact O-N 3.31Å; S6-K178 WeakPolarHBondContact O-CA 3.45Å; S6-K178 PolarHBondContact OG-NZ 3.42Å; S6-Q179 PolarHBondContact O-N 2.82Å
7W93.5Very high82.1Confident11 Ų1150.3 Ų50.34%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-97.3148-178.6-61.398.8000112.7S5 V176 K177 K178 R185 I211 Y214 E215S5-W7 PolarHBondContact O-N 3.38Å; S5-W7 VanDerWaalsContact O-N 3.14Å; S5-W7 WeakPolarHBondContact OG-CB 3.38Å; S5-W7 PolarHBondContact OG-N 3.47Å; W7-V176 HydrophobicContact CE3-CB 4.24Å; W7-V176 HydrophobicContact CE3-CG2 3.85Å; W7-V176 HydrophobicContact CZ3-CG2 3.91Å; W7-K177 CarbonylContact C-O 3.56Å; W7-K177 WeakPolarHBondContact CA-O 3.4Å; W7-K178 HydrophobicContact CD2-CD 3.88Å; W7-K178 VanDerWaalsContact CE2-CE 3.48Å; W7-K178 HydrophobicContact CE3-CD 3.99Å; W7-K178 HydrophobicContact CE3-CG 4.43Å; W7-K178 HydrophobicContact CG-CD 4.45Å; W7-K178 HydrophobicContact CH2-CD 4.2Å; W7-K178 HydrophobicContact CZ2-CD 4.14Å; W7-K178 VanDerWaalsContact CZ2-NZ 3.27Å; W7-K178 HydrophobicContact CZ3-CD 4.15Å; W7-K178 HydrophobicContact CZ3-CG 4.28Å; W7-R185 VanDerWaalsContact CZ3-CZ 3.47Å; W7-R185 VanDerWaalsContact CZ3-NH1 3.25Å; W7-I211 HydrophobicContact CB-CD1 3.8Å; W7-I211 HydrophobicContact CB-CG1 4.05Å; W7-I211 HydrophobicContact CD2-CG1 3.93Å; W7-I211 HydrophobicContact CD2-CG2 4.5Å; W7-I211 HydrophobicContact CE3-CG1 4.41Å; W7-I211 HydrophobicContact CG-CD1 3.96Å; W7-I211 HydrophobicContact CG-CG1 3.78Å; W7-I211 HydrophobicContact CG-CG2 4.3Å; W7-Y214 AromaticContact CH2-CD2 3.76Å; W7-Y214 HydrophobicContact CH2-CD2 3.76Å; W7-Y214 AromaticContact CH2-CG 3.84Å; W7-Y214 HydrophobicContact CH2-CG 3.84Å; W7-Y214 AromaticContact CZ3-CD2 3.86Å; W7-Y214 HydrophobicContact CZ3-CD2 3.86Å; W7-Y214 HydrophobicContact CZ3-CG 4.37Å; W7-E215 HydrophobicContact CZ2-CG 3.94Å; W7-E215 PolarHBondContact NE1-OE1 2.85Å
8Q94Very high83Confident54 Ų5449.3 Ų49.325%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-129.2130171.6-177.1-178.611.600108.4V176 K177 Q179Q8-V176 CarbonylContact O-C 3.59Å; Q8-V176 VanDerWaalsContact O-CA 3.32Å; Q8-V176 WeakPolarHBondContact O-CA 3.36Å; Q8-K177 PolarHBondContact N-O 3.09Å; Q8-K177 PolarHBondContact O-N 2.95Å; Q8-Q179 HydrophobicContact CB-CG 4.46Å
9A96Very high83.7Confident4 Ų448.6 Ų48.63%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-79.7143.8169.900000110.4I11 V176 I207A9-I11 HydrophobicContact CB-CD1 4Å; A9-I11 HydrophobicContact CB-CG1 4.43Å; A9-V176 HydrophobicContact CB-CG1 4.45Å; A9-I207 HydrophobicContact CB-CD1 3.63Å; A9-I207 HydrophobicContact CB-CG1 3.73Å; A9-I207 HydrophobicContact CB-CG2 4.28Å
10V96.3Very high84.2Confident13 Ų1350.2 Ų50.28%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-128.5107.6177.9178.80000107.1H134 S175 K177 L184V10-H134 HydrophobicContact CG1-CB 3.52Å; V10-S175 PolarHBondContact N-O 3.35Å; V10-S175 PolarHBondContact O-N 3.23Å; V10-K177 HydrophobicContact CG2-CD 4.14Å; V10-K177 HydrophobicContact CG2-CG 4.04Å; V10-L184 HydrophobicContact CB-CD2 4.25Å; V10-L184 HydrophobicContact CG1-CD2 3.7Å; V10-L184 HydrophobicContact CG2-CD2 4.11Å
11I98.1Very high84.7Confident0 Ų049.7 Ų49.70%027%0.27CS..EExtended strand (participates in β ladder)trans-124.7130.6-170.1-59.1143.9000109.8A9 L13 H134 I136 N173 V174 I203 I207A9-I11 HydrophobicContact CB-CD1 4Å; A9-I11 HydrophobicContact CB-CG1 4.43Å; I11-L13 HydrophobicContact CG2-CD2 4.09Å; I11-H134 CarbonylContact O-C 3.56Å; I11-H134 VanDerWaalsContact O-C 3.31Å; I11-H134 VanDerWaalsContact O-CA 3.27Å; I11-H134 WeakPolarHBondContact O-CA 3.39Å; I11-I136 HydrophobicContact CB-CB 3.88Å; I11-I136 HydrophobicContact CB-CG2 4.05Å; I11-I136 WeakPolarHBondContact CB-O 3.43Å; I11-I136 HydrophobicContact CD1-CG2 4.1Å; I11-I136 HydrophobicContact CG2-CB 4.21Å; I11-I136 HydrophobicContact CG2-CG2 4.17Å; I11-I136 PolarHBondContact N-O 3.39Å; I11-I136 WeakPolarHBondContact O-CB 3.32Å; I11-I136 PolarHBondContact O-N 3Å; I11-N173 VanDerWaalsContact CA-O 3.28Å; I11-N173 WeakPolarHBondContact CA-O 3.46Å; I11-V174 HydrophobicContact CG1-CG1 4.31Å; I11-V174 HydrophobicContact CG1-CG2 4.47Å; I11-I203 HydrophobicContact CD1-CG2 3.52Å; I11-I203 HydrophobicContact CG1-CG2 4.09Å; I11-I203 HydrophobicContact CG2-CD1 4.2Å; I11-I207 HydrophobicContact CD1-CD1 4.09Å
12G98Very high87.2Confident2 Ų252.8 Ų52.82%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-115.5149.9166.400000110.3N173G12-N173 PolarHBondContact N-O 2.82Å; G12-N173 PolarHBondContact O-N 2.98Å
13L98.5Very high90Very high1 Ų147.7 Ų47.71%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-118.8144.2177.5-58.2-178.1000110.6I11 I15 T132 I136 A142 L145 V146 V170 D171 A172 I203I11-L13 HydrophobicContact CG2-CD2 4.09Å; L13-I15 HydrophobicContact CB-CD1 3.58Å; L13-I15 HydrophobicContact CB-CG1 4.34Å; L13-T132 HydrophobicContact CB-CG2 4.07Å; L13-T132 PolarHBondContact N-OG1 3.39Å; L13-T132 PolarHBondContact O-N 2.85Å; L13-I136 HydrophobicContact CD1-CD1 3.72Å; L13-I136 HydrophobicContact CG-CD1 3.65Å; L13-A142 HydrophobicContact CD1-CB 4.21Å; L13-A142 HydrophobicContact CD2-CB 4.44Å; L13-L145 HydrophobicContact CD1-CD2 3.71Å; L13-V146 HydrophobicContact CD1-CG2 3.6Å; L13-V170 HydrophobicContact CD2-CG1 4.24Å; L13-D171 WeakPolarHBondContact CA-O 3.44Å; L13-A172 HydrophobicContact CD2-CB 3.8Å; L13-I203 HydrophobicContact CD2-CD1 4.18Å
14E98.1Very high92.4Very high41 Ų4141.8 Ų41.819%0.19222%0.216CC..EExtended strand (participates in β ladder)trans-118109.4170.9-177.4177.1134.600107.4H16 E129 V131 V170 D171E14-H16 IonicContact OE1-CE1 3.83Å; E14-H16 PolarHBondContact OE1-CE1 3.39Å; E14-H16 IonicContact OE1-NE2 2.79Å; E14-E129 HydrophobicContact CG-CG 4.13Å; E14-V131 HydrophobicContact CG-CG2 4.29Å; E14-V170 WeakPolarHBondContact O-CA 3.48Å; E14-D171 HydrophobicContact CB-CB 4.33Å; E14-D171 PolarHBondContact N-O 3.01Å; E14-D171 PolarHBondContact O-N 2.86Å
15I98.1Very high94.3Very high0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-110.3122.5-173.3-56.795.4000109.2L13 E129 I130 T132 L149 L168 R169 V170L13-I15 HydrophobicContact CB-CD1 3.58Å; L13-I15 HydrophobicContact CB-CG1 4.34Å; I15-E129 CarbonylContact O-C 3.53Å; I15-E129 WeakPolarHBondContact O-CA 3.42Å; I15-I130 HydrophobicContact CB-CB 4.35Å; I15-I130 WeakPolarHBondContact CD1-O 3.29Å; I15-I130 PolarHBondContact N-O 3.28Å; I15-I130 PolarHBondContact O-N 2.96Å; I15-T132 HydrophobicContact CD1-CG2 3.99Å; I15-L149 HydrophobicContact CB-CD2 4.31Å; I15-L149 HydrophobicContact CD1-CD2 4.21Å; I15-L149 HydrophobicContact CG1-CD2 4.23Å; I15-L149 HydrophobicContact CG2-CD2 4.16Å; I15-L168 HydrophobicContact CG2-CD1 3.56Å; I15-L168 HydrophobicContact CG2-CG 4.29Å; I15-R169 CarbonylContact C-O 3.52Å; I15-R169 WeakPolarHBondContact CA-O 3.5Å; I15-V170 HydrophobicContact CG1-CG1 4.38Å; I15-V170 HydrophobicContact CG1-CG2 4.05Å; I15-V170 HydrophobicContact CG2-CG2 4.27Å
16H97.1Very high95.1Very high22 Ų2237.1 Ų37.110%0.10219%0.185CC..EExtended strand (participates in β ladder)trans-102.5112.7172.4-62.582.1000109.6E14 E101 M128 L168 R169E14-H16 IonicContact OE1-CE1 3.83Å; E14-H16 PolarHBondContact OE1-CE1 3.39Å; E14-H16 IonicContact OE1-NE2 2.79Å; H16-E101 IonicContact CD2-OE1 2.7Å; H16-E101 PolarHBondContact CD2-OE1 3.43Å; H16-E101 IonicContact NE2-OE1 2.69Å; H16-E101 PolarHBondContact NE2-OE1 3.07Å; H16-M128 WeakPolarHBondContact CA-O 3.32Å; H16-L168 WeakPolarHBondContact O-CA 3.38Å; H16-R169 HydrophobicContact CB-CB 4.31Å; H16-R169 PolarHBondContact N-O 3.1Å; H16-R169 PolarHBondContact O-N 3.4Å
17A97.5Very high95Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-108.3121.7177.800000110.7I19 L127 M128 L153 C159 L168A17-I19 PolarHBondContact O-N 3.44Å; A17-L127 CarbonylContact O-C 3.58Å; A17-L127 WeakPolarHBondContact O-CA 3.39Å; A17-M128 HydrophobicContact CB-CB 4.45Å; A17-M128 HydrophobicContact CB-CE 4.09Å; A17-M128 PolarHBondContact N-O 2.82Å; A17-M128 PolarHBondContact O-N 2.95Å; A17-L153 HydrophobicContact CB-CD1 3.74Å; A17-C159 HydrophobicContact CB-CB 4.36Å; A17-L168 HydrophobicContact CB-CD1 3.75Å
18Q97.1Very high94.8Very high32 Ų3239.5 Ų39.515%0.1520%0.204CC..EExtended strand (participates in β ladder)trans-67.2126.4176.8-173.4180-55.300110.8N20 V125 L127 C159 E167Q18-N20 PolarHBondContact O-N 2.84Å; Q18-V125 HydrophobicContact CG-CG1 3.59Å; Q18-L127 HydrophobicContact CB-CD2 4.16Å; Q18-L127 HydrophobicContact CG-CD2 4.48Å; Q18-C159 WeakPolarHBondContact O-CB 3.42Å; Q18-C159 PolarHBondContact O-SG 2.89Å; Q18-E167 HydrophobicContact CB-CB 4.16Å; Q18-E167 WeakPolarHBondContact CB-O 3.37Å; Q18-E167 PolarHBondContact N-O 2.93Å
19I96.6Very high94.8Very high37 Ų3737.6 Ų37.619%0.1920%0.197CC..  trans-71.5124.7177.3-60.4171.3000108.7A17 S21 I100 G126 M128 T158A17-I19 PolarHBondContact O-N 3.44Å; I19-S21 VanDerWaalsContact C-N 3.27Å; I19-S21 PolarHBondContact O-N 2.76Å; I19-S21 PolarHBondContact O-OG 2.71Å; I19-I100 HydrophobicContact CD1-CD1 3.98Å; I19-I100 HydrophobicContact CD1-CG2 4.18Å; I19-G126 WeakPolarHBondContact CB-O 3.27Å; I19-G126 PolarHBondContact N-O 2.82Å; I19-M128 HydrophobicContact CD1-CG 4.16Å; I19-M128 HydrophobicContact CG1-CE 4.23Å; I19-M128 HydrophobicContact CG1-CG 3.88Å; I19-T158 CarbonylContact C-O 3.56Å; I19-T158 WeakPolarHBondContact CA-O 3.34Å
20N94.7Very high94.8Very high80 Ų8040.9 Ų40.943%0.42821%0.214SC..  trans-71.783.4174.5-175.720.7000110.1Q18 G157 T158 H160Q18-N20 PolarHBondContact O-N 2.84Å; N20-G157 PolarHBondContact ND2-O 2.9Å; N20-T158 WeakPolarHBondContact CB-O 3.47Å; N20-T158 PolarHBondContact N-O 3.28Å; N20-H160 PolarHBondContact ND2-CE1 2.84Å; N20-H160 PolarHBondContact OD1-NE2 2.83Å
21S94.3Very high94.7Very high40 Ų4041.6 Ų41.628%0.2822%0.219SC..  trans-128.3147.6-177.853.50000109.7I19 T23 C31I19-S21 VanDerWaalsContact C-N 3.27Å; I19-S21 PolarHBondContact O-N 2.76Å; I19-S21 PolarHBondContact O-OG 2.71Å; S21-T23 PolarHBondContact OG-O 3.07Å; S21-T23 VanDerWaalsContact OG-O 3.13Å; S21-C31 WeakPolarHBondContact O-CB 3.35Å
22R94.8Very high94.4Very high204 Ų20444 Ų4477%0.7724%0.235SC*.SBendtrans-70.6-39.7178.7-179.7178175.8-177.6-0.8111.8L30 C31R22-L30 HydrophobicContact CG-CD2 3.85Å; R22-L30 WeakPolarHBondContact O-CA 3.05Å; R22-C31 PolarHBondContact O-N 3.39Å
23T95.2Very high93.8Very high62 Ų6249.4 Ų49.438%0.3826%0.256SS..BIsolated β-bridgetrans-114.9159-178.356.10000110.5S21 A29 L30 C31S21-T23 PolarHBondContact OG-O 3.07Å; S21-T23 VanDerWaalsContact OG-O 3.13Å; T23-A29 CarbonylContact C-O 3.59Å; T23-A29 VanDerWaalsContact CA-O 3.27Å; T23-A29 WeakPolarHBondContact CA-O 3.31Å; T23-L30 HydrophobicContact CG2-CD2 4.31Å; T23-C31 PolarHBondContact O-SG 2.77Å
24K93Very high93.4Very high5 Ų555.2 Ų55.22%0.02229%0.287CS..  trans-62.7163.8173.9-69-178.9-174.1-175.40111.7F26 S27 A29 M40 D45 N121 C123 G124 V125K24-F26 VanDerWaalsContact C-N 3.35Å; K24-F26 PolarHBondContact O-N 2.85Å; K24-S27 PolarHBondContact N-O 3.09Å; K24-S27 VanDerWaalsContact O-O 3.05Å; K24-A29 HydrophobicContact CD-CB 4.01Å; K24-A29 PolarHBondContact N-O 3.05Å; K24-M40 VanDerWaalsContact CE-O 3.25Å; K24-M40 WeakPolarHBondContact CE-O 3.49Å; K24-M40 PolarHBondContact NZ-O 3.5Å; K24-D45 WeakPolarHBondContact CD-OD1 3.41Å; K24-D45 WeakPolarHBondContact CD-OD2 3.39Å; K24-D45 IonicContact NZ-OD1 3.8Å; K24-D45 IonicContact NZ-OD2 2.8Å; K24-D45 PolarHBondContact NZ-OD2 2.84Å; K24-N121 WeakPolarHBondContact CE-O 3.39Å; K24-N121 PolarHBondContact NZ-O 3.28Å; K24-C123 VanDerWaalsContact CD-O 3.25Å; K24-C123 WeakPolarHBondContact CD-O 3.45Å; K24-C123 VanDerWaalsContact CE-O 3.27Å; K24-C123 WeakPolarHBondContact CE-O 3.33Å; K24-C123 PolarHBondContact NZ-O 3.25Å; K24-G124 WeakPolarHBondContact CB-O 3.39Å; K24-V125 HydrophobicContact CG-CG2 4.25Å
25L89.2Confident93.2Very high56 Ų5654 Ų5429%0.29328%0.284SS..SBendtrans-61.8-40.3-167.9-171.363.6000113.2I100 Q102 G124L25-I100 HydrophobicContact CD1-CG2 3.89Å; L25-I100 HydrophobicContact CD2-CG2 3.75Å; L25-I100 HydrophobicContact CG-CG2 4.5Å; L25-Q102 HydrophobicContact CD2-CG 4.1Å; L25-G124 PolarHBondContact N-O 2.89Å
26F86.6Confident93Very high61 Ų6158 Ų5827%0.26831%0.31SS..SBendtrans-124.56.2-179.3-55.6-64.9000113K24 L44 P53 I62 Q102 V254K24-F26 VanDerWaalsContact C-N 3.35Å; K24-F26 PolarHBondContact O-N 2.85Å; F26-L44 HydrophobicContact CB-CD2 3.75Å; F26-L44 WeakPolarHBondContact O-CD2 3.26Å; F26-P53 HydrophobicContact CB-CG 4.33Å; F26-I62 HydrophobicContact CD2-CD1 3.84Å; F26-I62 HydrophobicContact CE2-CB 3.82Å; F26-I62 HydrophobicContact CE2-CD1 3.88Å; F26-I62 HydrophobicContact CE2-CG1 4.45Å; F26-I62 HydrophobicContact CE2-CG2 3.51Å; F26-I62 HydrophobicContact CZ-CG2 3.76Å; F26-Q102 HydrophobicContact CD2-CG 3.73Å; F26-Q102 HydrophobicContact CE2-CG 3.69Å; F26-V254 HydrophobicContact CE1-CG2 3.88Å; F26-V254 HydrophobicContact CZ-CG2 3.97Å
27S87.7Confident92.8Very high11 Ų1160.9 Ų60.98%0.07733%0.331CS..SBendtrans-128.7143-172.8163.80000110K24 A29 A42 D45K24-S27 PolarHBondContact N-O 3.09Å; K24-S27 VanDerWaalsContact O-O 3.05Å; S27-A29 PolarHBondContact O-N 3.25Å; S27-A29 WeakPolarHBondContact OG-CB 3.27Å; S27-A29 PolarHBondContact OG-N 3.41Å; S27-A42 WeakPolarHBondContact OG-CB 3.32Å; S27-D45 WeakPolarHBondContact CB-OD1 3.5Å; S27-D45 PolarHBondContact OG-OD1 2.89Å; S27-D45 PolarHBondContact OG-OD2 2.92Å
28S89.8Confident92.7Very high105 Ų10564.8 Ų64.873%0.73435%0.352SS*.SBendtrans-75.2-6.1176.156.90000113.4
29A94Very high92.6Very high14 Ų1466.9 Ų66.912%0.11637%0.367CS..SBendtrans-62.9147.7174.300000111.3T23 K24 S27 A42 D45T23-A29 CarbonylContact C-O 3.59Å; T23-A29 VanDerWaalsContact CA-O 3.27Å; T23-A29 WeakPolarHBondContact CA-O 3.31Å; K24-A29 HydrophobicContact CD-CB 4.01Å; K24-A29 PolarHBondContact N-O 3.05Å; S27-A29 PolarHBondContact O-N 3.25Å; S27-A29 WeakPolarHBondContact OG-CB 3.27Å; S27-A29 PolarHBondContact OG-N 3.41Å; A29-A42 HydrophobicContact CB-CB 3.98Å; A29-D45 WeakPolarHBondContact CB-OD2 3.46Å
30L96.4Very high92.6Very high73 Ų7367.4 Ų67.438%0.38237%0.369SS..BIsolated β-bridgetrans-77.2146.9-176.6-61.5176.7000111.8R22 T23 M40R22-L30 HydrophobicContact CG-CD2 3.85Å; R22-L30 WeakPolarHBondContact O-CA 3.05Å; T23-L30 HydrophobicContact CG2-CD2 4.31Å; L30-M40 HydrophobicContact CB-SD 4.05Å
31C94.2Very high92.5Very high28 Ų2865.5 Ų65.519%0.18936%0.36CS..PPolyproline II helixtrans-81.5117.2165.6-64.60000108.7S21 R22 T23S21-C31 WeakPolarHBondContact O-CB 3.35Å; R22-C31 PolarHBondContact O-N 3.39Å; T23-C31 PolarHBondContact O-SG 2.77Å
32S91.3Very high92.4Very high49 Ų4964.4 Ų64.434%0.34335%0.354SS..  trans-146.2133.1173.8-175.20000111.2
33Y85.4Confident92.1Very high116 Ų11658.1 Ų58.146%0.45534%0.339SS..SBendtrans-82.7-36.8176.1-179.9-93.6000112.2R165Y33-R165 HydrophobicContact CD1-CG 4.44Å; Y33-R165 HydrophobicContact CD2-CB 3.94Å; Y33-R165 HydrophobicContact CD2-CG 4.42Å; Y33-R165 HydrophobicContact CE1-CG 4.05Å; Y33-R165 HydrophobicContact CE2-CB 3.59Å; Y33-R165 HydrophobicContact CE2-CG 4.03Å; Y33-R165 VanDerWaalsContact CE2-O 3.24Å; Y33-R165 WeakPolarHBondContact CE2-O 3.36Å
34D89.7Confident91.6Very high123 Ų12356.6 Ų56.666%0.65833%0.328SS*.SBendtrans-95.413.1-170.9-62-60.1000112.8R165D34-R165 IonicContact OD2-NH1 3Å; D34-R165 PolarHBondContact OD2-NH1 3.39Å
35A93.8Very high91.4Very high16 Ų1656.7 Ų56.713%0.13233%0.329CS..SBendtrans-76.4145.2-179.500000112M40 N121A35-M40 HydrophobicContact CB-CE 3.79Å; A35-M40 HydrophobicContact CB-CG 3.45Å; A35-M40 VanDerWaalsContact CB-CG 3.45Å; A35-N121 PolarHBondContact O-ND2 2.91Å
36P95.5Very high91.2Very high83 Ų8360 Ų6054%0.53934%0.339SS..PPolyproline II helixtrans-57.9150.8171.2-20.230.8000111.4N38 T39 N121P36-N38 PolarHBondContact O-N 3.19Å; P36-T39 HydrophobicContact CB-CG2 3.83Å; P36-T39 HydrophobicContact CG-CG2 4.33Å; P36-T39 WeakPolarHBondContact O-CB 3.15Å; P36-T39 WeakPolarHBondContact O-CG2 3.29Å; P36-T39 PolarHBondContact O-N 2.9Å; P36-T39 PolarHBondContact O-OG1 2.83Å; P36-N121 PolarHBondContact O-ND2 3.14Å
37P93.1Very high91.1Very high84 Ų8458.8 Ų58.855%0.54534%0.34SS..THydrogen-bonded Turntrans-51.7136-175.7-28.635.4000113.3T39 D119 N121P37-T39 VanDerWaalsContact C-N 3.26Å; P37-T39 PolarHBondContact O-N 2.86Å; P37-D119 HydrophobicContact CB-CB 4.44Å; P37-N121 WeakPolarHBondContact CA-ND2 3.2Å
38N94Very high90.8Very high81 Ų8159 Ų5943%0.43334%0.343SS..THydrogen-bonded Turntrans56.129.2177.4-59.7-55.8000115.9P36 V41 I118 D119 L120 N121P36-N38 PolarHBondContact O-N 3.19Å; N38-V41 HydrophobicContact CB-CG2 4.4Å; N38-I118 PolarHBondContact ND2-O 3.15Å; N38-D119 PolarHBondContact N-OD1 3.2Å; N38-L120 WeakPolarHBondContact OD1-CB 3.42Å; N38-L120 PolarHBondContact OD1-N 3.39Å; N38-N121 PolarHBondContact N-ND2 3.43Å; N38-N121 PolarHBondContact N-OD1 2.42Å
39T96Very high90.3Very high76 Ų7660.6 Ų60.647%0.46635%0.35SS..  trans-100.4-18.6177.2590000114.3P36 P37 N121P36-T39 HydrophobicContact CB-CG2 3.83Å; P36-T39 HydrophobicContact CG-CG2 4.33Å; P36-T39 WeakPolarHBondContact O-CB 3.15Å; P36-T39 WeakPolarHBondContact O-CG2 3.29Å; P36-T39 PolarHBondContact O-N 2.9Å; P36-T39 PolarHBondContact O-OG1 2.83Å; P37-T39 VanDerWaalsContact C-N 3.26Å; P37-T39 PolarHBondContact O-N 2.86Å; T39-N121 PolarHBondContact N-OD1 2.89Å
40M95.9Very high89.2Confident49 Ų4962.6 Ų62.624%0.24137%0.372CS..SBendtrans-107.256.5178.5-61.1-63.4164.400109.8K24 L30 A35 N121K24-M40 VanDerWaalsContact CE-O 3.25Å; K24-M40 WeakPolarHBondContact CE-O 3.49Å; K24-M40 PolarHBondContact NZ-O 3.5Å; L30-M40 HydrophobicContact CB-SD 4.05Å; A35-M40 HydrophobicContact CB-CE 3.79Å; A35-M40 HydrophobicContact CB-CG 3.45Å; A35-M40 VanDerWaalsContact CB-CG 3.45Å; M40-N121 PolarHBondContact N-OD1 3.31Å
41V92.9Very high87.7Confident40 Ų4059.8 Ų59.824%0.24236%0.359CS..  trans-135.3124.6-170.1-167.70000109.7N38 D45 Y46 L120N38-V41 HydrophobicContact CB-CG2 4.4Å; V41-D45 WeakPolarHBondContact CA-OD2 3.26Å; V41-D45 HydrophobicContact CG1-CB 3.72Å; V41-Y46 HydrophobicContact CG1-CD1 3.69Å; V41-L120 HydrophobicContact CG1-CB 4.28Å; V41-L120 HydrophobicContact CG2-CB 4.11Å
42A91.2Very high86.2Confident17 Ų1765.6 Ų65.614%0.1439%0.385CS..  trans-102.2166.3170.900000110.9S27 A29 L44 D45 Y46S27-A42 WeakPolarHBondContact OG-CB 3.32Å; A29-A42 HydrophobicContact CB-CB 3.98Å; A42-L44 PolarHBondContact O-N 3.04Å; A42-L44 VanDerWaalsContact O-N 3.08Å; A42-D45 PolarHBondContact N-OD2 3.28Å; A42-D45 WeakPolarHBondContact O-CB 3.4Å; A42-D45 PolarHBondContact O-N 3.48Å; A42-Y46 WeakPolarHBondContact O-CD1 3.4Å; A42-Y46 WeakPolarHBondContact O-CE1 3.48Å
43P89.2Confident84.3Confident71 Ų7165.1 Ų65.146%0.46138%0.381SS..THydrogen-bonded Turntrans-46.5-39.5176.8-32.538.2000115.5D45 Y46 A47 A48P43-D45 VanDerWaalsContact C-N 3.34Å; P43-D45 PolarHBondContact O-N 3.45Å; P43-Y46 HydrophobicContact CB-CE1 4.42Å; P43-A47 PolarHBondContact O-N 2.83Å; P43-A48 HydrophobicContact CB-CB 3.82Å; P43-A48 VanDerWaalsContact O-CB 3.29Å; P43-A48 WeakPolarHBondContact O-CB 3.45Å; P43-A48 PolarHBondContact O-N 3.23Å
44L85.3Confident82.9Confident30 Ų3060 Ų6016%0.15736%0.361CS..THydrogen-bonded Turntrans-65.1-36.6178.3-178.863000113.1F26 A42 Y46 A47 P53F26-L44 HydrophobicContact CB-CD2 3.75Å; F26-L44 WeakPolarHBondContact O-CD2 3.26Å; A42-L44 PolarHBondContact O-N 3.04Å; A42-L44 VanDerWaalsContact O-N 3.08Å; L44-Y46 VanDerWaalsContact C-N 3.29Å; L44-Y46 PolarHBondContact O-N 3.28Å; L44-A47 PolarHBondContact O-N 3.42Å; L44-A47 VanDerWaalsContact O-N 3.07Å; L44-P53 HydrophobicContact CD2-CG 4.44Å
45D88.1Confident80.4Confident8 Ų858.3 Ų58.34%0.04336%0.358CS..THydrogen-bonded Turntrans-71.2-26.4-171.9-54.6-32.3000112.5K24 S27 A29 V41 A42 P43 C123K24-D45 WeakPolarHBondContact CD-OD1 3.41Å; K24-D45 WeakPolarHBondContact CD-OD2 3.39Å; K24-D45 IonicContact NZ-OD1 3.8Å; K24-D45 IonicContact NZ-OD2 2.8Å; K24-D45 PolarHBondContact NZ-OD2 2.84Å; S27-D45 WeakPolarHBondContact CB-OD1 3.5Å; S27-D45 PolarHBondContact OG-OD1 2.89Å; S27-D45 PolarHBondContact OG-OD2 2.92Å; A29-D45 WeakPolarHBondContact CB-OD2 3.46Å; V41-D45 WeakPolarHBondContact CA-OD2 3.26Å; V41-D45 HydrophobicContact CG1-CB 3.72Å; A42-D45 PolarHBondContact N-OD2 3.28Å; A42-D45 WeakPolarHBondContact O-CB 3.4Å; A42-D45 PolarHBondContact O-N 3.48Å; P43-D45 VanDerWaalsContact C-N 3.34Å; P43-D45 PolarHBondContact O-N 3.45Å; D45-C123 PolarHBondContact O-SG 2.86Å
46Y86Confident78Confident124 Ų12464.2 Ų64.249%0.48638%0.381SS..THydrogen-bonded Turntrans-10414172.365.1-95.5000112.9V41 A42 P43 L44 A48V41-Y46 HydrophobicContact CG1-CD1 3.69Å; A42-Y46 WeakPolarHBondContact O-CD1 3.4Å; A42-Y46 WeakPolarHBondContact O-CE1 3.48Å; P43-Y46 HydrophobicContact CB-CE1 4.42Å; L44-Y46 VanDerWaalsContact C-N 3.29Å; L44-Y46 PolarHBondContact O-N 3.28Å; Y46-A48 HydrophobicContact CD2-CB 4.01Å; Y46-A48 HydrophobicContact CE2-CB 3.37Å; Y46-A48 PolarHBondContact O-N 3.34Å
47A84.3Confident75.4Confident37 Ų3769.5 Ų69.531%0.30640%0.396SS..THydrogen-bonded Turntrans52.648.7179.700000113.2P43 L44 A58P43-A47 PolarHBondContact O-N 2.83Å; L44-A47 PolarHBondContact O-N 3.42Å; L44-A47 VanDerWaalsContact O-N 3.07Å; A47-A58 HydrophobicContact CB-CB 3.71Å
48A81.5Confident73.5Confident15 Ų1569 Ų6912%0.12440%0.399CS..  trans-55.1136.4174.400000110.3P43 Y46 G50 S51P43-A48 HydrophobicContact CB-CB 3.82Å; P43-A48 VanDerWaalsContact O-CB 3.29Å; P43-A48 WeakPolarHBondContact O-CB 3.45Å; P43-A48 PolarHBondContact O-N 3.23Å; Y46-A48 HydrophobicContact CD2-CB 4.01Å; Y46-A48 HydrophobicContact CE2-CB 3.37Å; Y46-A48 PolarHBondContact O-N 3.34Å; A48-G50 PolarHBondContact O-N 3.49Å; A48-G50 VanDerWaalsContact O-N 3.1Å; A48-S51 WeakPolarHBondContact O-CB 3.37Å; A48-S51 PolarHBondContact O-N 2.9Å; A48-S51 PolarHBondContact O-OG 3.28Å
49P77.6Confident72.4Confident138 Ų13869.3 Ų69.390%0.89642%0.422SS*.THydrogen-bonded Turntrans-52.7122.6174.1-26.634.8000111.4
50G71.4Confident71.5Confident56 Ų5671.2 Ų71.258%0.57742%0.421SS*.THydrogen-bonded Turntrans86.22.718000000116.1A48 M52A48-G50 PolarHBondContact O-N 3.49Å; A48-G50 VanDerWaalsContact O-N 3.1Å; G50-M52 PolarHBondContact O-N 3.14Å
51S66.4Low70.8Confident15 Ų1572.9 Ų72.911%0.10543%0.428CS..  trans-70123.2175.460.40000112.1A48 F54A48-S51 WeakPolarHBondContact O-CB 3.37Å; A48-S51 PolarHBondContact O-N 2.9Å; A48-S51 PolarHBondContact O-OG 3.28Å; S51-F54 CarbonylContact O-C 3.56Å; S51-F54 PolarHBondContact O-N 3.19Å
52M60.7Low70.4Confident149 Ų14972.1 Ų72.173%0.73442%0.422SS*.THydrogen-bonded Turntrans-75151172.2-73.8-68.7-76.500111.3G50 F54G50-M52 PolarHBondContact O-N 3.14Å; M52-F54 VanDerWaalsContact C-N 3.31Å; M52-F54 VanDerWaalsContact CA-N 3.29Å
53P52.5Low70.2Confident39 Ų3973.8 Ų73.825%0.25343%0.431SS..THydrogen-bonded Turncis-78114.123.3-21.9000115.6F26 L44F26-P53 HydrophobicContact CB-CG 4.33Å; L44-P53 HydrophobicContact CD2-CG 4.44Å
54F54.8Low69.9Low10 Ų1073.1 Ų73.14%0.04442%0.422CS..  trans-142111.4-170.3-66.1-71000115.3S51 M52 F56 Y60 I62 A251 C253S51-F54 CarbonylContact O-C 3.56Å; S51-F54 PolarHBondContact O-N 3.19Å; M52-F54 VanDerWaalsContact C-N 3.31Å; M52-F54 VanDerWaalsContact CA-N 3.29Å; F54-F56 HydrophobicContact CB-CD2 3.83Å; F54-F56 AromaticContact CD1-CD2 3.56Å; F54-F56 HydrophobicContact CD1-CD2 3.56Å; F54-F56 AromaticContact CD1-CE2 3.73Å; F54-F56 HydrophobicContact CD1-CE2 3.73Å; F54-F56 HydrophobicContact CE1-CE2 4.49Å; F54-F56 HydrophobicContact CG-CD2 4.12Å; F54-F56 PolarHBondContact O-N 3.38Å; F54-Y60 VanDerWaalsContact CB-OH 3.3Å; F54-Y60 WeakPolarHBondContact CB-OH 3.21Å; F54-I62 HydrophobicContact CD2-CD1 3.97Å; F54-I62 HydrophobicContact CE2-CD1 3.67Å; F54-A251 HydrophobicContact CE1-CB 3.9Å; F54-A251 HydrophobicContact CZ-CB 3.82Å; F54-C253 HydrophobicContact CD1-CB 4.38Å; F54-C253 HydrophobicContact CE1-CB 3.41Å; F54-C253 VanDerWaalsContact CE1-CB 3.41Å; F54-C253 WeakPolarHBondContact CE1-SG 3.4Å; F54-C253 HydrophobicContact CE2-CB 4.39Å; F54-C253 HydrophobicContact CZ-CB 3.4Å
55S39.1Very low69.5Low86 Ų8678.4 Ų78.460%0.60144%0.441SS*.  trans-74.265.3157167.40000110.4
56F42.7Very low68.9Low140 Ų14084.3 Ų84.361%0.61446%0.463SS*.  trans-133.7150175.6-63.7-66.5000111.8F54 Y60F54-F56 HydrophobicContact CB-CD2 3.83Å; F54-F56 AromaticContact CD1-CD2 3.56Å; F54-F56 HydrophobicContact CD1-CD2 3.56Å; F54-F56 AromaticContact CD1-CE2 3.73Å; F54-F56 HydrophobicContact CD1-CE2 3.73Å; F54-F56 HydrophobicContact CE1-CE2 4.49Å; F54-F56 HydrophobicContact CG-CD2 4.12Å; F54-F56 PolarHBondContact O-N 3.38Å; F56-Y60 HydrophobicContact CB-CE1 4.03Å
57K40.8Very low68.7Low194 Ų19484.5 Ų84.584%0.84347%0.468SS*.  trans-58.1136.2-172-66.2-177.6178.1-179.40111.2Y60K57-Y60 WeakPolarHBondContact O-CD1 3.28Å; K57-Y60 WeakPolarHBondContact O-CE1 3.11Å
58A53.7Low68.9Low75 Ų7584.1 Ų84.162%0.6246%0.463SS*.SBendtrans-49.3138.6172.400000111.7A47A47-A58 HydrophobicContact CB-CB 3.71Å
59G70.6Confident69.2Low87 Ų8786.4 Ų86.490%0.89747%0.472SS*.  trans127.618.4172.200000117
60Y76.2Confident69.8Low116 Ų11682.3 Ų82.346%0.45545%0.45SS..  trans-127.4160.1172.565.2-88.2000111F54 F56 K57 I62F54-Y60 VanDerWaalsContact CB-OH 3.3Å; F54-Y60 WeakPolarHBondContact CB-OH 3.21Å; F56-Y60 HydrophobicContact CB-CE1 4.03Å; K57-Y60 WeakPolarHBondContact O-CD1 3.28Å; K57-Y60 WeakPolarHBondContact O-CE1 3.11Å; Y60-I62 HydrophobicContact CD2-CG1 4.19Å; Y60-I62 HydrophobicContact CE2-CD1 4.3Å; Y60-I62 HydrophobicContact CE2-CG1 3.74Å
61Q82.5Confident70.9Confident84 Ų8483.5 Ų83.539%0.39345%0.446SS..  trans-109.8133.4173.2-174.7-173.56.500108.4E101 Q102Q61-E101 VanDerWaalsContact NE2-CD 3.32Å; Q61-E101 PolarHBondContact NE2-OE1 3.32Å; Q61-E101 PolarHBondContact NE2-OE2 3.14Å; Q61-Q102 WeakPolarHBondContact CG-O 3.28Å; Q61-Q102 PolarHBondContact NE2-O 2.84Å
62I84.1Confident72.2Confident23 Ų2389.6 Ų89.612%0.11848%0.477CS..  trans-81.6120.6171.8-57.4171.4000108.3F26 F54 Y60 E101 Q102F26-I62 HydrophobicContact CD2-CD1 3.84Å; F26-I62 HydrophobicContact CE2-CB 3.82Å; F26-I62 HydrophobicContact CE2-CD1 3.88Å; F26-I62 HydrophobicContact CE2-CG1 4.45Å; F26-I62 HydrophobicContact CE2-CG2 3.51Å; F26-I62 HydrophobicContact CZ-CG2 3.76Å; F54-I62 HydrophobicContact CD2-CD1 3.97Å; F54-I62 HydrophobicContact CE2-CD1 3.67Å; Y60-I62 HydrophobicContact CD2-CG1 4.19Å; Y60-I62 HydrophobicContact CE2-CD1 4.3Å; Y60-I62 HydrophobicContact CE2-CG1 3.74Å; I62-E101 WeakPolarHBondContact O-CA 3.49Å; I62-Q102 HydrophobicContact CB-CG 4.18Å; I62-Q102 VanDerWaalsContact CB-OE1 3.29Å; I62-Q102 VanDerWaalsContact CG1-OE1 3.28Å; I62-Q102 PolarHBondContact O-N 3.33Å
63T86.6Confident73.9Confident53 Ų5384 Ų8433%0.32546%0.458SS..  trans-149.2173.4-179.9-172.50000109.8Q99 E101T63-Q99 PolarHBondContact OG1-NE2 3.18Å; T63-E101 WeakPolarHBondContact OG1-CB 3.48Å; T63-E101 PolarHBondContact OG1-OE2 3.07Å
64Q83.5Confident76Confident57 Ų5786.4 Ų86.427%0.26647%0.469SS..  trans-106.3100.9177.9-57.5173.9-48.800110.7I69 Q99Q64-I69 VanDerWaalsContact OE1-N 3.15Å; Q64-Q99 HydrophobicContact CB-CB 4.05Å; Q64-Q99 PolarHBondContact O-OE1 3.03Å; Q64-Q99 VanDerWaalsContact O-OE1 3.04Å
65Y76.2Confident78Confident141 Ų14186.6 Ų86.655%0.55347%0.47SS*.SBendtrans-84.4-48.6-177.5-171.2-97.5000113.6
66Y76.1Confident80.7Confident131 Ų13188.2 Ų88.251%0.51447%0.468SS..SBendtrans-94-34.8-172.4-63.7-73000113.8P68 Y250Y66-P68 WeakPolarHBondContact O-CD 3.45Å; Y66-Y250 HydrophobicContact CD2-CD2 4Å; Y66-Y250 AromaticContact CD2-CE2 3.28Å; Y66-Y250 HydrophobicContact CD2-CE2 3.28Å; Y66-Y250 AromaticContact CD2-CZ 3.94Å; Y66-Y250 AromaticContact CE2-CD2 3.99Å; Y66-Y250 HydrophobicContact CE2-CD2 3.99Å; Y66-Y250 AromaticContact CE2-CE2 3.66Å; Y66-Y250 HydrophobicContact CE2-CE2 3.66Å; Y66-Y250 HydrophobicContact CG-CE2 4.12Å
67H82.6Confident83.2Confident129 Ų12981.7 Ų81.760%0.59744%0.44SS*.SBendtrans-126.875.6-174.5-6291000109.2Y250H67-Y250 PolarHBondContact CE1-OH 2.91Å; H67-Y250 PolarHBondContact ND1-OH 3.08Å
68P88Confident85.8Confident29 Ų2978.1 Ų78.119%0.18842%0.421CS..  trans-60.4150172.228.6-36.5000110.2Y66 A70 V71 R97 L98 Q99Y66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-A70 PolarHBondContact O-N 3.3Å; P68-V71 HydrophobicContact CB-CG1 4.48Å; P68-V71 HydrophobicContact CG-CG1 3.45Å; P68-V71 VanDerWaalsContact CG-CG1 3.45Å; P68-R97 HydrophobicContact CB-CB 4.05Å; P68-R97 HydrophobicContact CG-CB 4.04Å; P68-L98 WeakPolarHBondContact CB-O 3.47Å; P68-Q99 HydrophobicContact CB-CB 3.99Å
69I87.7Confident87.8Confident63 Ų6375 Ų7532%0.32340%0.395SS..SBendtrans-62-27.2-176.2-167.6163.2000113.3Q64 L98 I100 L259Q64-I69 VanDerWaalsContact OE1-N 3.15Å; I69-L98 HydrophobicContact CG2-CD2 3.29Å; I69-L98 HydrophobicContact CG2-CG 4.48Å; I69-L98 WeakPolarHBondContact CG2-O 3.15Å; I69-L98 PolarHBondContact N-O 3.23Å; I69-L98 VanDerWaalsContact N-O 3.13Å; I69-I100 HydrophobicContact CD1-CG1 4.03Å; I69-I100 HydrophobicContact CG2-CD1 4.46Å; I69-I100 HydrophobicContact CG2-CG1 4.17Å; I69-L259 HydrophobicContact CD1-CD1 4.32Å; I69-L259 HydrophobicContact CD1-CD2 3.7Å; I69-L259 HydrophobicContact CD1-CG 4.44Å; I69-L259 HydrophobicContact CG1-CD1 3.8Å; I69-L259 HydrophobicContact CG1-CD2 4.1Å; I69-L259 HydrophobicContact CG1-CG 4.3Å
70A90.1Very high88.7Confident51 Ų5174.9 Ų74.942%0.42137%0.368SS..EExtended strand (participates in β ladder)trans-148.1149.6172.500000111.8P68 R97 L98P68-A70 PolarHBondContact O-N 3.3Å; A70-R97 CarbonylContact O-C 3.57Å; A70-R97 WeakPolarHBondContact O-CA 3.32Å; A70-L98 HydrophobicContact CB-CB 4.28Å; A70-L98 PolarHBondContact N-O 3.49Å; A70-L98 VanDerWaalsContact N-O 3.14Å; A70-L98 PolarHBondContact O-N 3.18Å
71V93.5Very high89.2Confident81 Ų8171 Ų7149%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-138.9163.4178.7-63.70000110.8P68 G73 A96 R97P68-V71 HydrophobicContact CB-CG1 4.48Å; P68-V71 HydrophobicContact CG-CG1 3.45Å; P68-V71 VanDerWaalsContact CG-CG1 3.45Å; V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 2.95Å; V71-A96 WeakPolarHBondContact CA-O 3.18Å; V71-R97 HydrophobicContact CG1-CB 4.38Å
72N95.3Very high89.2Confident143 Ų14374.1 Ų74.177%0.76536%0.364SS*.EExtended strand (participates in β ladder)trans58.141.2173-55.6-38.5000113.5I95 A96N72-I95 PolarHBondContact N-O 2.69Å; N72-A96 PolarHBondContact N-O 3.44Å
73G96.1Very high89Confident33 Ų3381.8 Ų81.834%0.3440%0.399SS..EExtended strand (participates in β ladder)trans-81.5174.1174.900000112.3V71 I95V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 2.95Å; G73-I95 PolarHBondContact N-O 2.87Å; G73-I95 PolarHBondContact O-N 3.02Å
74N96.8Very high88.7Confident88 Ų8883.9 Ų83.947%0.47141%0.408SS..EExtended strand (participates in β ladder)trans-150.7137.4-178.8-170.172000110.4N92N74-N92 VanDerWaalsContact ND2-CG 3.34Å; N74-N92 PolarHBondContact ND2-ND2 2.88Å; N74-N92 PolarHBondContact ND2-OD1 2.71Å; N74-N92 PolarHBondContact OD1-ND2 3.33Å; N74-N92 PolarHBondContact OD1-OD1 3.14Å
75I95.8Very high88.6Confident15 Ų1585.2 Ų85.28%0.07741%0.414CS..EExtended strand (participates in β ladder)trans-128.9124.1175.8-168168.2000111.1N92 C93 I95 L145 E148 L149I75-N92 PolarHBondContact O-OD1 2.88Å; I75-C93 HydrophobicContact CG2-CB 4.16Å; I75-C93 PolarHBondContact N-O 2.83Å; I75-C93 PolarHBondContact O-N 3.21Å; I75-I95 HydrophobicContact CG2-CD1 3.93Å; I75-I95 HydrophobicContact CG2-CG1 4.39Å; I75-L145 HydrophobicContact CG2-CD1 3.61Å; I75-L145 HydrophobicContact CG2-CG 4.34Å; I75-E148 HydrophobicContact CD1-CG 4.16Å; I75-E148 HydrophobicContact CG1-CG 4.36Å; I75-L149 HydrophobicContact CD1-CB 4.05Å; I75-L149 HydrophobicContact CD1-CD1 4.15Å
76E96.3Very high88.9Confident120 Ų12084 Ų8456%0.56142%0.424SS*.EExtended strand (participates in β ladder)trans-90.2137.2170.5-65.8-177151.900109.7L90 K91E76-L90 HydrophobicContact CB-CD1 4.22Å; E76-K91 WeakPolarHBondContact CA-O 3.44Å
77F95.7Very high89.4Confident3 Ų384.4 Ų84.41%0.01343%0.432CS..EExtended strand (participates in β ladder)trans-148.8153.7-179.265.4-76.8000110.9V79 K91 C93 E141 C144 L145 E148F77-V79 HydrophobicContact CD2-CG2 4.16Å; F77-V79 HydrophobicContact CE2-CG2 3.77Å; F77-K91 HydrophobicContact CD1-CB 4.24Å; F77-K91 HydrophobicContact CD2-CB 4.4Å; F77-K91 HydrophobicContact CE1-CB 3.71Å; F77-K91 HydrophobicContact CE2-CB 3.92Å; F77-K91 HydrophobicContact CZ-CB 3.56Å; F77-K91 HydrophobicContact CZ-CG 4.43Å; F77-K91 PolarHBondContact N-O 2.95Å; F77-K91 PolarHBondContact O-N 3.08Å; F77-C93 HydrophobicContact CE1-CB 3.81Å; F77-E141 HydrophobicContact CE2-CB 4.33Å; F77-E141 WeakPolarHBondContact CE2-O 3.15Å; F77-C144 HydrophobicContact CD2-CB 3.95Å; F77-C144 HydrophobicContact CE2-CB 4.32Å; F77-L145 HydrophobicContact CD1-CB 4.27Å; F77-L145 HydrophobicContact CD1-CD1 3.75Å; F77-L145 HydrophobicContact CD1-CG 4.44Å; F77-L145 HydrophobicContact CD2-CB 4.01Å; F77-L145 HydrophobicContact CE1-CB 4.23Å; F77-L145 HydrophobicContact CE1-CD1 3.53Å; F77-L145 HydrophobicContact CE1-CG 4.46Å; F77-L145 HydrophobicContact CE2-CB 3.95Å; F77-L145 HydrophobicContact CG-CB 4.17Å; F77-L145 HydrophobicContact CG-CD1 4.45Å; F77-L145 HydrophobicContact CZ-CB 4.06Å; F77-L145 HydrophobicContact CZ-CD1 4.05Å; F77-E148 HydrophobicContact CB-CB 3.78Å; F77-E148 HydrophobicContact CB-CG 3.77Å
78Y95.1Very high89.7Confident118 Ų11880.2 Ų80.246%0.46342%0.416SS..EExtended strand (participates in β ladder)trans-97.1136.8176.9-71.7-80.6000111.3P88 L89 L90 C144Y78-P88 HydrophobicContact CD1-CB 3.98Å; Y78-P88 HydrophobicContact CG-CB 4.46Å; Y78-L89 CarbonylContact C-O 3.56Å; Y78-L89 WeakPolarHBondContact CA-O 3.43Å; Y78-L90 HydrophobicContact CD1-CB 4.25Å; Y78-L90 HydrophobicContact CD1-CD1 4.22Å; Y78-L90 HydrophobicContact CE1-CB 3.93Å; Y78-L90 HydrophobicContact CE1-CD1 3.89Å; Y78-L90 HydrophobicContact CE1-CG 4.44Å; Y78-L90 HydrophobicContact CE2-CD1 4.21Å; Y78-C144 WeakPolarHBondContact O-CB 3.4Å
79V94.4Very high89.9Confident10 Ų1082 Ų826%0.06142%0.424CS..EExtended strand (participates in β ladder)trans-103.5122.4172.4-174.60000108.6F77 P88 L89 K91 L140 E141F77-V79 HydrophobicContact CD2-CG2 4.16Å; F77-V79 HydrophobicContact CE2-CG2 3.77Å; V79-P88 CarbonylContact O-C 3.59Å; V79-P88 WeakPolarHBondContact O-CA 3.28Å; V79-L89 HydrophobicContact CB-CB 4.36Å; V79-L89 PolarHBondContact N-O 2.87Å; V79-L89 PolarHBondContact O-N 3.33Å; V79-K91 HydrophobicContact CG2-CB 4.21Å; V79-K91 HydrophobicContact CG2-CG 3.73Å; V79-L140 HydrophobicContact CG1-CD2 3.96Å; V79-L140 HydrophobicContact CG1-CG 3.96Å; V79-E141 HydrophobicContact CG1-CG 4.37Å; V79-E141 HydrophobicContact CG2-CG 3.87Å
80Y89.7Confident90.2Very high85 Ų8583.1 Ų83.133%0.33343%0.43SS..  trans-103.983.8-177.2-59.7-93000109.6Y82 P88 Y287Y80-Y82 HydrophobicContact CD1-CE2 4.49Å; Y80-Y82 WeakPolarHBondContact CD1-OH 3.38Å; Y80-P88 HydrophobicContact CD1-CB 3.77Å; Y80-P88 HydrophobicContact CD1-CG 3.57Å; Y80-P88 HydrophobicContact CE1-CB 3.73Å; Y80-P88 HydrophobicContact CE1-CG 3.49Å; Y80-P88 VanDerWaalsContact CE1-CG 3.49Å; Y80-P88 HydrophobicContact CG-CB 4.45Å; Y80-Y287 PolarHBondContact OH-OH 3.34Å
81D87.4Confident90.5Very high33 Ų3383.1 Ų83.118%0.17642%0.42CS..  trans-113.379.2174.7-165.9-19.6000110.7Q83 L84 H85 L140D81-Q83 PolarHBondContact O-N 3.12Å; D81-Q83 VanDerWaalsContact O-N 3.11Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.16Å; D81-Q83 PolarHBondContact OD1-N 3.48Å; D81-L84 PolarHBondContact O-N 3.32Å; D81-L84 PolarHBondContact OD1-N 3.38Å; D81-L84 WeakPolarHBondContact OD2-CD1 3.41Å; D81-H85 PolarHBondContact O-N 3.47Å; D81-L140 HydrophobicContact CB-CD2 3.74Å
82Y81.4Confident90.7Very high151 Ų15183 Ų8359%0.59242%0.417SS*.THydrogen-bonded Turntrans-65.3-11.2-179.2-60.6-68.8000114.2Y80 H85Y80-Y82 HydrophobicContact CD1-CE2 4.49Å; Y80-Y82 WeakPolarHBondContact CD1-OH 3.38Å; Y82-H85 WeakPolarHBondContact CA-O 3.32Å
83Q81.4Confident90.8Very high183 Ų18376.2 Ų76.286%0.85538%0.381SS*.THydrogen-bonded Turntrans-79.5-37.2175.7-62.5-177.4-9.900111.3D81D81-Q83 PolarHBondContact O-N 3.12Å; D81-Q83 VanDerWaalsContact O-N 3.11Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.16Å; D81-Q83 PolarHBondContact OD1-N 3.48Å
84L80.7Confident91Very high98 Ų9880.4 Ų80.451%0.51339%0.386SS..THydrogen-bonded Turntrans-100-30.2-178.4-65.8178.7000113.1D81D81-L84 PolarHBondContact O-N 3.32Å; D81-L84 PolarHBondContact OD1-N 3.38Å; D81-L84 WeakPolarHBondContact OD2-CD1 3.41Å
85H80.6Confident91Very high84 Ų8477.3 Ų77.339%0.38937%0.369SS..  trans-135.1123.7-174.2-58.9-61.1000110.7D81 Y82 M87D81-H85 PolarHBondContact O-N 3.47Å; Y82-H85 WeakPolarHBondContact CA-O 3.32Å; H85-M87 WeakPolarHBondContact CB-O 3.44Å; H85-M87 PolarHBondContact O-N 3.41Å
86P82Confident91.1Very high116 Ų11677.8 Ų77.875%0.75338%0.376SS*.SBendtrans-66.4-20178.526.6-33.9000112.8
87M85.9Confident91Very high140 Ų14075.6 Ų75.669%0.6936%0.362SS*.SBendtrans-119.5148.3179-66.8-62.2-68.100110.8H85 L89H85-M87 WeakPolarHBondContact CB-O 3.44Å; H85-M87 PolarHBondContact O-N 3.41Å; M87-L89 PolarHBondContact O-N 3.07Å
88P89.5Confident91Very high41 Ų4177.5 Ų77.527%0.26637%0.373SS..PPolyproline II helixtrans-59.4134.4174.1-20.131.6000111.4Y78 V79 Y80Y78-P88 HydrophobicContact CD1-CB 3.98Å; Y78-P88 HydrophobicContact CG-CB 4.46Å; V79-P88 CarbonylContact O-C 3.59Å; V79-P88 WeakPolarHBondContact O-CA 3.28Å; Y80-P88 HydrophobicContact CD1-CB 3.77Å; Y80-P88 HydrophobicContact CD1-CG 3.57Å; Y80-P88 HydrophobicContact CE1-CB 3.73Å; Y80-P88 HydrophobicContact CE1-CG 3.49Å; Y80-P88 VanDerWaalsContact CE1-CG 3.49Å; Y80-P88 HydrophobicContact CG-CB 4.45Å
89L92.3Very high90.8Very high66 Ų6672.2 Ų72.235%0.34635%0.352SS..EExtended strand (participates in β ladder)trans-87.7125.5178.4-167.884.7000109.5Y78 V79 M87 K91Y78-L89 CarbonylContact C-O 3.56Å; Y78-L89 WeakPolarHBondContact CA-O 3.43Å; V79-L89 HydrophobicContact CB-CB 4.36Å; V79-L89 PolarHBondContact N-O 2.87Å; V79-L89 PolarHBondContact O-N 3.33Å; M87-L89 PolarHBondContact O-N 3.07Å; L89-K91 HydrophobicContact CD2-CD 4.01Å; L89-K91 HydrophobicContact CD2-CG 4.02Å
90L95Very high90.7Very high86 Ų8673.5 Ų73.545%0.4536%0.358SS..EExtended strand (participates in β ladder)trans-76125.7170.5-176.662.6000109.2E76 Y78E76-L90 HydrophobicContact CB-CD1 4.22Å; Y78-L90 HydrophobicContact CD1-CB 4.25Å; Y78-L90 HydrophobicContact CD1-CD1 4.22Å; Y78-L90 HydrophobicContact CE1-CB 3.93Å; Y78-L90 HydrophobicContact CE1-CD1 3.89Å; Y78-L90 HydrophobicContact CE1-CG 4.44Å; Y78-L90 HydrophobicContact CE2-CD1 4.21Å
91K96.2Very high90.8Very high51 Ų5169.9 Ų69.922%0.22234%0.344CS..EExtended strand (participates in β ladder)trans-122.9161.3175.1-76.3-71.6-167.9130.70110E76 F77 V79 L89 E141E76-K91 WeakPolarHBondContact CA-O 3.44Å; F77-K91 HydrophobicContact CD1-CB 4.24Å; F77-K91 HydrophobicContact CD2-CB 4.4Å; F77-K91 HydrophobicContact CE1-CB 3.71Å; F77-K91 HydrophobicContact CE2-CB 3.92Å; F77-K91 HydrophobicContact CZ-CB 3.56Å; F77-K91 HydrophobicContact CZ-CG 4.43Å; F77-K91 PolarHBondContact N-O 2.95Å; F77-K91 PolarHBondContact O-N 3.08Å; V79-K91 HydrophobicContact CG2-CB 4.21Å; V79-K91 HydrophobicContact CG2-CG 3.73Å; L89-K91 HydrophobicContact CD2-CD 4.01Å; L89-K91 HydrophobicContact CD2-CG 4.02Å; K91-E141 WeakPolarHBondContact CE-OE1 3.32Å; K91-E141 IonicContact NZ-OE1 3.33Å; K91-E141 PolarHBondContact NZ-OE1 3.3Å; K91-E141 IonicContact NZ-OE2 2.87Å
92N97.3Very high90.9Very high79 Ų7969.5 Ų69.542%0.42234%0.342SS..EExtended strand (participates in β ladder)trans-130.3141.4177.2-171.826.3000109.7N74 I75N74-N92 VanDerWaalsContact ND2-CG 3.34Å; N74-N92 PolarHBondContact ND2-ND2 2.88Å; N74-N92 PolarHBondContact ND2-OD1 2.71Å; N74-N92 PolarHBondContact OD1-ND2 3.33Å; N74-N92 PolarHBondContact OD1-OD1 3.14Å; I75-N92 PolarHBondContact O-OD1 2.88Å
93C98.2Very high91.5Very high1 Ų162.6 Ų62.61%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-137.3130.7175.1177.60000109.5I75 F77 D135 L145I75-C93 HydrophobicContact CG2-CB 4.16Å; I75-C93 PolarHBondContact N-O 2.83Å; I75-C93 PolarHBondContact O-N 3.21Å; F77-C93 HydrophobicContact CE1-CB 3.81Å; C93-D135 HydrophobicContact CB-CB 4.45Å; C93-L145 HydrophobicContact CB-CD1 3.23Å
94R98.5Very high91.9Very high121 Ų12157.6 Ų57.646%0.45730%0.297SS..EExtended strand (participates in β ladder)trans-76.9143177-62.1169.6-67.1154.40.8110.1E133 D135R94-E133 HydrophobicContact CB-CB 3.83Å; R94-E133 HydrophobicContact CB-CG 3.55Å; R94-E133 PolarHBondContact O-N 2.98Å; R94-D135 WeakPolarHBondContact CB-OD2 3.3Å; R94-D135 WeakPolarHBondContact CG-OD2 3.35Å; R94-D135 IonicContact CZ-OD1 3.43Å; R94-D135 IonicContact CZ-OD2 3.58Å; R94-D135 PolarHBondContact N-OD2 3.39Å; R94-D135 IonicContact NE-OD1 2.56Å; R94-D135 PolarHBondContact NE-OD1 3.18Å; R94-D135 IonicContact NE-OD2 2.8Å; R94-D135 PolarHBondContact NE-OD2 2.81Å; R94-D135 IonicContact NH2-OD1 2.85Å; R94-D135 PolarHBondContact NH2-OD1 3.01Å; R94-D135 IonicContact NH2-OD2 3.49Å
95I98.1Very high92.3Very high22 Ų2254.1 Ų54.111%0.11328%0.284CS..EExtended strand (participates in β ladder)trans-102.9112172.1-54.1-58.9000107N72 G73 I75 I130 T132N72-I95 PolarHBondContact N-O 2.69Å; G73-I95 PolarHBondContact N-O 2.87Å; G73-I95 PolarHBondContact O-N 3.02Å; I75-I95 HydrophobicContact CG2-CD1 3.93Å; I75-I95 HydrophobicContact CG2-CG1 4.39Å; I95-I130 HydrophobicContact CD1-CG2 4.28Å; I95-I130 HydrophobicContact CG2-CG2 3.8Å; I95-T132 HydrophobicContact CD1-CG2 3.91Å
96A96.7Very high92.6Very high25 Ų2555.5 Ų55.521%0.20729%0.289CS..EExtended strand (participates in β ladder)trans-63.8-48.8-178.600000110.4V71 N72 V131 E133V71-A96 WeakPolarHBondContact CA-O 3.18Å; N72-A96 PolarHBondContact N-O 3.44Å; A96-V131 PolarHBondContact N-O 2.96Å; A96-E133 HydrophobicContact CB-CG 4.25Å; A96-E133 WeakPolarHBondContact CB-OE1 3.32Å
97R95.2Very high92.9Very high74 Ų7454.4 Ų54.428%0.27928%0.281SS..EExtended strand (participates in β ladder)trans-155156.1-178.161.4179.7-169.5-175.47.6112.9P68 A70 V71 Q99 E129 V131P68-R97 HydrophobicContact CB-CB 4.05Å; P68-R97 HydrophobicContact CG-CB 4.04Å; A70-R97 CarbonylContact O-C 3.57Å; A70-R97 WeakPolarHBondContact O-CA 3.32Å; V71-R97 HydrophobicContact CG1-CB 4.38Å; R97-Q99 VanDerWaalsContact CZ-OE1 3.3Å; R97-E129 IonicContact CZ-OE1 3.72Å; R97-E129 IonicContact NE-OE1 3.78Å; R97-E129 IonicContact NH2-OE1 2.89Å; R97-E129 PolarHBondContact NH2-OE1 3.43Å; R97-V131 HydrophobicContact CG-CB 3.87Å; R97-V131 HydrophobicContact CG-CG2 4.02Å; R97-V131 PolarHBondContact N-O 3.2Å; R97-V131 PolarHBondContact O-N 2.89Å
98L94.5Very high92.8Very high44 Ų4450.6 Ų50.623%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-125.7128.4163.3-172.1158.4000107.2P68 I69 A70 I100 M128 E129 I130P68-L98 WeakPolarHBondContact CB-O 3.47Å; I69-L98 HydrophobicContact CG2-CD2 3.29Å; I69-L98 HydrophobicContact CG2-CG 4.48Å; I69-L98 WeakPolarHBondContact CG2-O 3.15Å; I69-L98 PolarHBondContact N-O 3.23Å; I69-L98 VanDerWaalsContact N-O 3.13Å; A70-L98 HydrophobicContact CB-CB 4.28Å; A70-L98 PolarHBondContact N-O 3.49Å; A70-L98 VanDerWaalsContact N-O 3.14Å; A70-L98 PolarHBondContact O-N 3.18Å; L98-I100 HydrophobicContact CD2-CD1 4.37Å; L98-M128 HydrophobicContact CD2-CB 4.36Å; L98-M128 HydrophobicContact CD2-CG 4.26Å; L98-E129 CarbonylContact C-O 3.31Å; L98-E129 VanDerWaalsContact CA-O 3.31Å; L98-E129 WeakPolarHBondContact CA-O 3.46Å; L98-I130 HydrophobicContact CD1-CD1 4.29Å; L98-I130 HydrophobicContact CD1-CG1 3.92Å; L98-I130 HydrophobicContact CG-CG1 3.94Å
99Q92.3Very high92.5Very high7 Ų753.9 Ų53.93%0.03328%0.282CS..EExtended strand (participates in β ladder)trans-131.9154.8178.859.5-168.344.600111.9T63 Q64 P68 R97 M128 E129T63-Q99 PolarHBondContact OG1-NE2 3.18Å; Q64-Q99 HydrophobicContact CB-CB 4.05Å; Q64-Q99 PolarHBondContact O-OE1 3.03Å; Q64-Q99 VanDerWaalsContact O-OE1 3.04Å; P68-Q99 HydrophobicContact CB-CB 3.99Å; R97-Q99 VanDerWaalsContact CZ-OE1 3.3Å; Q99-M128 CarbonylContact O-C 3.57Å; Q99-M128 WeakPolarHBondContact O-CA 3.46Å; Q99-E129 HydrophobicContact CG-CB 3.69Å; Q99-E129 HydrophobicContact CG-CG 4.25Å; Q99-E129 PolarHBondContact N-O 2.83Å; Q99-E129 PolarHBondContact NE2-OE1 3.43Å; Q99-E129 PolarHBondContact NE2-OE2 3.05Å; Q99-E129 PolarHBondContact O-N 3Å
100I92.4Very high92Very high36 Ų3653 Ų5319%0.18528%0.278CS..EExtended strand (participates in β ladder)trans-99.3135.4175.6-53.4-61.3000109.6I19 L25 I69 L98 L127 M128I19-I100 HydrophobicContact CD1-CD1 3.98Å; I19-I100 HydrophobicContact CD1-CG2 4.18Å; L25-I100 HydrophobicContact CD1-CG2 3.89Å; L25-I100 HydrophobicContact CD2-CG2 3.75Å; L25-I100 HydrophobicContact CG-CG2 4.5Å; I69-I100 HydrophobicContact CD1-CG1 4.03Å; I69-I100 HydrophobicContact CG2-CD1 4.46Å; I69-I100 HydrophobicContact CG2-CG1 4.17Å; L98-I100 HydrophobicContact CD2-CD1 4.37Å; I100-L127 WeakPolarHBondContact CA-O 3.23Å; I100-M128 HydrophobicContact CD1-CG 3.79Å
101E90.8Very high91Very high10 Ų1058 Ų585%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-148167.5177.965.4168.8-14700113.2H16 Q61 I62 T63 L127H16-E101 IonicContact CD2-OE1 2.7Å; H16-E101 PolarHBondContact CD2-OE1 3.43Å; H16-E101 IonicContact NE2-OE1 2.69Å; H16-E101 PolarHBondContact NE2-OE1 3.07Å; Q61-E101 VanDerWaalsContact NE2-CD 3.32Å; Q61-E101 PolarHBondContact NE2-OE1 3.32Å; Q61-E101 PolarHBondContact NE2-OE2 3.14Å; I62-E101 WeakPolarHBondContact O-CA 3.49Å; T63-E101 WeakPolarHBondContact OG1-CB 3.48Å; T63-E101 PolarHBondContact OG1-OE2 3.07Å; E101-L127 HydrophobicContact CG-CB 3.84Å; E101-L127 HydrophobicContact CG-CD1 4.13Å; E101-L127 PolarHBondContact N-O 2.81Å; E101-L127 PolarHBondContact O-N 2.88Å; E101-L127 WeakPolarHBondContact OE1-CD1 3.28Å
102Q90.4Very high90.1Very high25 Ų2564.8 Ų64.812%0.11733%0.332CS..EExtended strand (participates in β ladder)trans-87143.1171-66.7-178.3-63.700111.6L25 F26 Q61 I62 V125L25-Q102 HydrophobicContact CD2-CG 4.1Å; F26-Q102 HydrophobicContact CD2-CG 3.73Å; F26-Q102 HydrophobicContact CE2-CG 3.69Å; Q61-Q102 WeakPolarHBondContact CG-O 3.28Å; Q61-Q102 PolarHBondContact NE2-O 2.84Å; I62-Q102 HydrophobicContact CB-CG 4.18Å; I62-Q102 VanDerWaalsContact CB-OE1 3.29Å; I62-Q102 VanDerWaalsContact CG1-OE1 3.28Å; I62-Q102 PolarHBondContact O-N 3.33Å; Q102-V125 CarbonylContact C-O 3.6Å
103D93Very high89.1Confident6 Ų663 Ų633%0.03233%0.332CS..PPolyproline II helixtrans-79.4160167.9-158.619.9000112.9R122 C123 G124 V125 L127 R169D103-R122 IonicContact OD1-NH2 2.87Å; D103-R122 IonicContact OD2-CZ 3.82Å; D103-R122 IonicContact OD2-NE 3.09Å; D103-R122 PolarHBondContact OD2-NE 3.1Å; D103-R122 IonicContact OD2-NH2 3.21Å; D103-R122 PolarHBondContact OD2-NH2 3.49Å; D103-C123 WeakPolarHBondContact O-CA 3.34Å; D103-G124 PolarHBondContact O-N 2.91Å; D103-V125 HydrophobicContact CB-CB 4.14Å; D103-V125 WeakPolarHBondContact CB-O 3.43Å; D103-V125 PolarHBondContact N-O 2.93Å; D103-L127 HydrophobicContact CB-CD1 3.69Å; D103-L127 HydrophobicContact CB-CD2 4.07Å; D103-L127 HydrophobicContact CB-CG 3.85Å; D103-R169 IonicContact OD1-CZ 3.7Å; D103-R169 IonicContact OD1-NH1 3.96Å; D103-R169 PolarHBondContact OD1-NH1 2.97Å; D103-R169 IonicContact OD1-NH2 3.69Å; D103-R169 PolarHBondContact OD1-NH2 3.1Å; D103-R169 IonicContact OD2-CZ 3.44Å; D103-R169 IonicContact OD2-NH1 3.36Å; D103-R169 IonicContact OD2-NH2 2.7Å
104T90.2Very high88.4Confident77 Ų7766.4 Ų66.447%0.47237%0.367SS..PPolyproline II helixtrans-92.6167.8176.757.80000111.9R122T104-R122 CarbonylContact O-C 3.56Å; T104-R122 WeakPolarHBondContact O-CB 3.35Å
105G88.9Confident87.9Confident25 Ų2568.9 Ų68.926%0.25838%0.376SS..PPolyproline II helixtrans-70.5169.9169.400000112.4D119G105-D119 WeakPolarHBondContact CA-O 3.5Å
106K87.4Confident87.3Confident113 Ų11372.4 Ų72.449%0.49140%0.399SS..EExtended strand (participates in β ladder)trans-102.6135.7177.2-172.5178.4179.8-173.40110.5L108 D119K106-L108 HydrophobicContact CD-CD2 3.99Å; K106-L108 HydrophobicContact CG-CD2 4.26Å; K106-D119 PolarHBondContact N-O 2.88Å; K106-D119 PolarHBondContact O-N 2.96Å
107T87.3Confident87.1Confident93 Ų9375.3 Ų75.357%0.57141%0.41SS*.EExtended strand (participates in β ladder)trans-93.2133.5168.8-57.50000109.6V116T107-V116 HydrophobicContact CG2-CG1 3.36Å
108L85.4Confident86.9Confident61 Ų6176.6 Ų76.632%0.31942%0.422SS..EExtended strand (participates in β ladder)trans-119.9138.3175.3-58.6170.5000107.8K106 L117 D119K106-L108 HydrophobicContact CD-CD2 3.99Å; K106-L108 HydrophobicContact CG-CD2 4.26Å; L108-L117 HydrophobicContact CB-CB 4.14Å; L108-L117 PolarHBondContact N-O 3.44Å; L108-L117 PolarHBondContact O-N 2.83Å; L108-D119 HydrophobicContact CD1-CB 4.45Å
109T82.5Confident86.8Confident109 Ų10975.7 Ų75.767%0.66942%0.417SS*.EExtended strand (participates in β ladder)trans-103123.9176.4-45.70000108.2E111T109-E111 PolarHBondContact O-N 2.95Å
110D81.9Confident86.8Confident48 Ų4877.4 Ų77.426%0.25743%0.426SS..EExtended strand (participates in β ladder)trans-84.899.2171175.910.7000108.1E112 G113 G114 R115 L117D110-E112 VanDerWaalsContact C-N 3.26Å; D110-E112 PolarHBondContact O-N 3.22Å; D110-E112 PolarHBondContact OD1-N 3.44Å; D110-G113 PolarHBondContact O-N 2.97Å; D110-G113 PolarHBondContact OD1-N 2.98Å; D110-G113 VanDerWaalsContact OD1-N 3.12Å; D110-G113 WeakPolarHBondContact OD2-CA 3.38Å; D110-G113 PolarHBondContact OD2-N 2.97Å; D110-G114 WeakPolarHBondContact O-CA 3.38Å; D110-G114 PolarHBondContact O-N 3.07Å; D110-R115 HydrophobicContact CB-CB 4.13Å; D110-R115 WeakPolarHBondContact CB-O 3.46Å; D110-R115 PolarHBondContact N-O 3.48Å; D110-L117 HydrophobicContact CB-CD1 4.18Å; D110-L117 HydrophobicContact CB-CG 4.34Å
111E73.7Confident86.9Confident190 Ų19076 Ų7689%0.88842%0.419SS*.THydrogen-bonded Turntrans-62.8-32-176.8-66.7-170.6172.600112.5T109T109-E111 PolarHBondContact O-N 2.95Å
112E78.2Confident87Confident195 Ų19577.6 Ų77.691%0.91143%0.425SS*.THydrogen-bonded Turntrans-81.8-38.6-179-67.5-175.1172.100111.8D110D110-E112 VanDerWaalsContact C-N 3.26Å; D110-E112 PolarHBondContact O-N 3.22Å; D110-E112 PolarHBondContact OD1-N 3.44Å
113G75.6Confident87.1Confident41 Ų4177.9 Ų77.942%0.42343%0.429SS..THydrogen-bonded Turntrans-91.2-11.7-17600000115.3D110 R115D110-G113 PolarHBondContact O-N 2.97Å; D110-G113 PolarHBondContact OD1-N 2.98Å; D110-G113 VanDerWaalsContact OD1-N 3.12Å; D110-G113 WeakPolarHBondContact OD2-CA 3.38Å; D110-G113 PolarHBondContact OD2-N 2.97Å; G113-R115 PolarHBondContact O-N 3.36Å
114G83.4Confident87Confident72 Ų7277.6 Ų77.674%0.74243%0.428SS*.THydrogen-bonded Turntrans6221.5-17100000113D110D110-G114 WeakPolarHBondContact O-CA 3.38Å; D110-G114 PolarHBondContact O-N 3.07Å
115R88.5Confident87.2Confident173 Ų17374.2 Ų74.265%0.65341%0.406SS*.EExtended strand (participates in β ladder)trans-98.5150-177.4-66.2174.7-174.1179.12.3110.4D110 G113 L117D110-R115 HydrophobicContact CB-CB 4.13Å; D110-R115 WeakPolarHBondContact CB-O 3.46Å; D110-R115 PolarHBondContact N-O 3.48Å; G113-R115 PolarHBondContact O-N 3.36Å; R115-L117 HydrophobicContact CB-CD2 4.42Å
116V85.4Confident87.5Confident97 Ų9773 Ų7359%0.58840%0.395SS*.EExtended strand (participates in β ladder)trans-100.3120168.3-178.40000107.5T107T107-V116 HydrophobicContact CG2-CG1 3.36Å
117L91.2Very high87.9Confident86 Ų8667.7 Ų67.745%0.4537%0.372SS..EExtended strand (participates in β ladder)trans-104143.6178-54176.9000109L108 D110 R115L108-L117 HydrophobicContact CB-CB 4.14Å; L108-L117 PolarHBondContact N-O 3.44Å; L108-L117 PolarHBondContact O-N 2.83Å; D110-L117 HydrophobicContact CB-CD1 4.18Å; D110-L117 HydrophobicContact CB-CG 4.34Å; R115-L117 HydrophobicContact CB-CD2 4.42Å
118I90.9Very high88.4Confident101 Ų10164.1 Ų64.152%0.51835%0.349SS..EExtended strand (participates in β ladder)trans-120.2128.4-177.8-58.2177.9000109N38 L120N38-I118 PolarHBondContact ND2-O 3.15Å; I118-L120 HydrophobicContact CG2-CD2 3.64Å; I118-L120 HydrophobicContact CG2-CG 4.12Å
119D92.5Very high88.9Confident24 Ų2461.7 Ų61.713%0.12834%0.336CS..EExtended strand (participates in β ladder)trans-113.3116.8171.2-179.313.7000110.3P37 N38 G105 K106 L108 N121P37-D119 HydrophobicContact CB-CB 4.44Å; N38-D119 PolarHBondContact N-OD1 3.2Å; G105-D119 WeakPolarHBondContact CA-O 3.5Å; K106-D119 PolarHBondContact N-O 2.88Å; K106-D119 PolarHBondContact O-N 2.96Å; L108-D119 HydrophobicContact CD1-CB 4.45Å; D119-N121 WeakPolarHBondContact OD1-CB 3.3Å; D119-N121 PolarHBondContact OD1-N 3.11Å; D119-N121 PolarHBondContact OD1-ND2 2.81Å; D119-N121 VanDerWaalsContact OD1-ND2 3.09Å; D119-N121 PolarHBondContact OD2-ND2 3.19Å
120L93.6Very high89.6Confident44 Ų4456.8 Ų56.823%0.2331%0.305CS..  trans-94.76.5-177.6-59.5-179.6000113.5N38 V41 I118 R122 C123N38-L120 WeakPolarHBondContact OD1-CB 3.42Å; N38-L120 PolarHBondContact OD1-N 3.39Å; V41-L120 HydrophobicContact CG1-CB 4.28Å; V41-L120 HydrophobicContact CG2-CB 4.11Å; I118-L120 HydrophobicContact CG2-CD2 3.64Å; I118-L120 HydrophobicContact CG2-CG 4.12Å; L120-R122 PolarHBondContact O-N 2.82Å; L120-C123 HydrophobicContact CB-CB 4.28Å; L120-C123 HydrophobicContact CD2-CB 4.32Å; L120-C123 WeakPolarHBondContact O-CB 3.4Å; L120-C123 PolarHBondContact O-N 3.4Å
121N94.2Very high90.4Very high7 Ų755.7 Ų55.74%0.03730%0.3CS..THydrogen-bonded Turntrans-53.6-40177.2-77.9-27.6000113K24 A35 P36 P37 N38 T39 M40 D119K24-N121 WeakPolarHBondContact CE-O 3.39Å; K24-N121 PolarHBondContact NZ-O 3.28Å; A35-N121 PolarHBondContact O-ND2 2.91Å; P36-N121 PolarHBondContact O-ND2 3.14Å; P37-N121 WeakPolarHBondContact CA-ND2 3.2Å; N38-N121 PolarHBondContact N-ND2 3.43Å; N38-N121 PolarHBondContact N-OD1 2.42Å; T39-N121 PolarHBondContact N-OD1 2.89Å; M40-N121 PolarHBondContact N-OD1 3.31Å; D119-N121 WeakPolarHBondContact OD1-CB 3.3Å; D119-N121 PolarHBondContact OD1-N 3.11Å; D119-N121 PolarHBondContact OD1-ND2 2.81Å; D119-N121 VanDerWaalsContact OD1-ND2 3.09Å; D119-N121 PolarHBondContact OD2-ND2 3.19Å
122R92.5Very high91.6Very high43 Ų4346.9 Ų46.916%0.16226%0.259CS..THydrogen-bonded Turntrans-79.8-19.6176.7-87.6-176.572.8124.1-2.5114.4D103 T104 L120 G124 V125 R165 G166 R169D103-R122 IonicContact OD1-NH2 2.87Å; D103-R122 IonicContact OD2-CZ 3.82Å; D103-R122 IonicContact OD2-NE 3.09Å; D103-R122 PolarHBondContact OD2-NE 3.1Å; D103-R122 IonicContact OD2-NH2 3.21Å; D103-R122 PolarHBondContact OD2-NH2 3.49Å; T104-R122 CarbonylContact O-C 3.56Å; T104-R122 WeakPolarHBondContact O-CB 3.35Å; L120-R122 PolarHBondContact O-N 2.82Å; R122-G124 PolarHBondContact O-N 2.82Å; R122-V125 VanDerWaalsContact O-CB 3.31Å; R122-V125 WeakPolarHBondContact O-CB 3.44Å; R122-V125 WeakPolarHBondContact O-CG2 3.43Å; R122-V125 PolarHBondContact O-N 2.78Å; R122-R165 PolarHBondContact NH1-O 3.15Å; R122-G166 PolarHBondContact NH1-O 3.04Å; R122-G166 PolarHBondContact NH2-O 2.85Å; R122-R169 VanDerWaalsContact NH2-NH1 3.19Å
123C92.7Very high92.5Very high31 Ų3140.2 Ų40.221%0.20923%0.228CC..THydrogen-bonded Turntrans-61.7126.1-176.9-170.90000109.8K24 D45 D103 L120K24-C123 VanDerWaalsContact CD-O 3.25Å; K24-C123 WeakPolarHBondContact CD-O 3.45Å; K24-C123 VanDerWaalsContact CE-O 3.27Å; K24-C123 WeakPolarHBondContact CE-O 3.33Å; K24-C123 PolarHBondContact NZ-O 3.25Å; D45-C123 PolarHBondContact O-SG 2.86Å; D103-C123 WeakPolarHBondContact O-CA 3.34Å; L120-C123 HydrophobicContact CB-CB 4.28Å; L120-C123 HydrophobicContact CD2-CB 4.32Å; L120-C123 WeakPolarHBondContact O-CB 3.4Å; L120-C123 PolarHBondContact O-N 3.4Å
124G91.7Very high93.5Very high0 Ų042.4 Ų42.40%023%0.227CC..THydrogen-bonded Turntrans88.6-4.7-178.700000115.6K24 L25 D103 R122 G126K24-G124 WeakPolarHBondContact CB-O 3.39Å; L25-G124 PolarHBondContact N-O 2.89Å; D103-G124 PolarHBondContact O-N 2.91Å; R122-G124 PolarHBondContact O-N 2.82Å; G124-G126 PolarHBondContact O-N 2.77Å
125V94.7Very high94Very high5 Ų541.2 Ų41.23%0.0320%0.204CC..  trans-58.5137.3171.4171.80000109.4Q18 K24 Q102 D103 R122Q18-V125 HydrophobicContact CG-CG1 3.59Å; K24-V125 HydrophobicContact CG-CG2 4.25Å; Q102-V125 CarbonylContact C-O 3.6Å; D103-V125 HydrophobicContact CB-CB 4.14Å; D103-V125 WeakPolarHBondContact CB-O 3.43Å; D103-V125 PolarHBondContact N-O 2.93Å; R122-V125 VanDerWaalsContact O-CB 3.31Å; R122-V125 WeakPolarHBondContact O-CB 3.44Å; R122-V125 WeakPolarHBondContact O-CG2 3.43Å; R122-V125 PolarHBondContact O-N 2.78Å
126G94.6Very high94.4Very high1 Ų133 Ų331%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-73.5137-179.500000112.8I19 G124I19-G126 WeakPolarHBondContact CB-O 3.27Å; I19-G126 PolarHBondContact N-O 2.82Å; G124-G126 PolarHBondContact O-N 2.77Å
127L96Very high94.9Very high1 Ų131.1 Ų31.11%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-125.4149.4175-53.7172.5000110.7A17 Q18 I100 E101 D103A17-L127 CarbonylContact O-C 3.58Å; A17-L127 WeakPolarHBondContact O-CA 3.39Å; Q18-L127 HydrophobicContact CB-CD2 4.16Å; Q18-L127 HydrophobicContact CG-CD2 4.48Å; I100-L127 WeakPolarHBondContact CA-O 3.23Å; E101-L127 HydrophobicContact CG-CB 3.84Å; E101-L127 HydrophobicContact CG-CD1 4.13Å; E101-L127 PolarHBondContact N-O 2.81Å; E101-L127 PolarHBondContact O-N 2.88Å; E101-L127 WeakPolarHBondContact OE1-CD1 3.28Å; D103-L127 HydrophobicContact CB-CD1 3.69Å; D103-L127 HydrophobicContact CB-CD2 4.07Å; D103-L127 HydrophobicContact CB-CG 3.85Å
128M96.3Very high95.1Very high18 Ų1828.4 Ų28.49%0.08915%0.146CC..EExtended strand (participates in β ladder)trans-98.8117.1157.6-65170-71.700107.9H16 A17 I19 L98 Q99 I100 I130 L153 C159H16-M128 WeakPolarHBondContact CA-O 3.32Å; A17-M128 HydrophobicContact CB-CB 4.45Å; A17-M128 HydrophobicContact CB-CE 4.09Å; A17-M128 PolarHBondContact N-O 2.82Å; A17-M128 PolarHBondContact O-N 2.95Å; I19-M128 HydrophobicContact CD1-CG 4.16Å; I19-M128 HydrophobicContact CG1-CE 4.23Å; I19-M128 HydrophobicContact CG1-CG 3.88Å; L98-M128 HydrophobicContact CD2-CB 4.36Å; L98-M128 HydrophobicContact CD2-CG 4.26Å; Q99-M128 CarbonylContact O-C 3.57Å; Q99-M128 WeakPolarHBondContact O-CA 3.46Å; I100-M128 HydrophobicContact CD1-CG 3.79Å; M128-I130 HydrophobicContact CB-CG1 4.43Å; M128-L153 HydrophobicContact CE-CD2 4.09Å; M128-C159 HydrophobicContact CE-CB 4.36Å
129E96.9Very high95.4Very high10 Ų1023.6 Ų23.65%0.04712%0.121CC..EExtended strand (participates in β ladder)trans-89.5119.3164.7178.9-163137.100108.1E14 I15 R97 L98 Q99 V131E14-E129 HydrophobicContact CG-CG 4.13Å; I15-E129 CarbonylContact O-C 3.53Å; I15-E129 WeakPolarHBondContact O-CA 3.42Å; R97-E129 IonicContact CZ-OE1 3.72Å; R97-E129 IonicContact NE-OE1 3.78Å; R97-E129 IonicContact NH2-OE1 2.89Å; R97-E129 PolarHBondContact NH2-OE1 3.43Å; L98-E129 CarbonylContact C-O 3.31Å; L98-E129 VanDerWaalsContact CA-O 3.31Å; L98-E129 WeakPolarHBondContact CA-O 3.46Å; Q99-E129 HydrophobicContact CG-CB 3.69Å; Q99-E129 HydrophobicContact CG-CG 4.25Å; Q99-E129 PolarHBondContact N-O 2.83Å; Q99-E129 PolarHBondContact NE2-OE1 3.43Å; Q99-E129 PolarHBondContact NE2-OE2 3.05Å; Q99-E129 PolarHBondContact O-N 3Å; E129-V131 HydrophobicContact CG-CG2 4.01Å; E129-V131 WeakPolarHBondContact OE1-CG2 3.26Å
130I97.7Very high95.5Very high5 Ų523.3 Ų23.33%0.02612%0.119CC..EExtended strand (participates in β ladder)trans-114.3115.3-179.2-57.1167.4000107.1I15 I95 L98 M128 L149 L153I15-I130 HydrophobicContact CB-CB 4.35Å; I15-I130 WeakPolarHBondContact CD1-O 3.29Å; I15-I130 PolarHBondContact N-O 3.28Å; I15-I130 PolarHBondContact O-N 2.96Å; I95-I130 HydrophobicContact CD1-CG2 4.28Å; I95-I130 HydrophobicContact CG2-CG2 3.8Å; L98-I130 HydrophobicContact CD1-CD1 4.29Å; L98-I130 HydrophobicContact CD1-CG1 3.92Å; L98-I130 HydrophobicContact CG-CG1 3.94Å; M128-I130 HydrophobicContact CB-CG1 4.43Å; I130-L149 HydrophobicContact CD1-CD1 4.18Å; I130-L149 HydrophobicContact CD1-CD2 4.05Å; I130-L149 HydrophobicContact CD1-CG 4.5Å; I130-L149 HydrophobicContact CG2-CD2 4.31Å; I130-L153 HydrophobicContact CD1-CD1 4.26Å; I130-L153 HydrophobicContact CD1-CD2 4.43Å
131V98Very high95.7Very high26 Ų2622 Ų2216%0.15811%0.112CC..EExtended strand (participates in β ladder)trans-109.3124.5-178.6-1750000109.3E14 A96 R97 E129E14-V131 HydrophobicContact CG-CG2 4.29Å; A96-V131 PolarHBondContact N-O 2.96Å; R97-V131 HydrophobicContact CG-CB 3.87Å; R97-V131 HydrophobicContact CG-CG2 4.02Å; R97-V131 PolarHBondContact N-O 3.2Å; R97-V131 PolarHBondContact O-N 2.89Å; E129-V131 HydrophobicContact CG-CG2 4.01Å; E129-V131 WeakPolarHBondContact OE1-CG2 3.26Å
132T98.5Very high95.9Very high4 Ų421.7 Ų21.73%0.02511%0.11CC..EExtended strand (participates in β ladder)trans-84.4156.6175.577.10000111.2L13 I15 I95 L145L13-T132 HydrophobicContact CB-CG2 4.07Å; L13-T132 PolarHBondContact N-OG1 3.39Å; L13-T132 PolarHBondContact O-N 2.85Å; I15-T132 HydrophobicContact CD1-CG2 3.99Å; I95-T132 HydrophobicContact CD1-CG2 3.91Å; T132-L145 HydrophobicContact CG2-CD2 4.13Å
133E97.6Very high96.1Very high55 Ų5520.4 Ų20.426%0.25711%0.108SC..  trans-67.3171.5157.3-70.3-65.4166.700110.7R94 A96 D135R94-E133 HydrophobicContact CB-CB 3.83Å; R94-E133 HydrophobicContact CB-CG 3.55Å; R94-E133 PolarHBondContact O-N 2.98Å; A96-E133 HydrophobicContact CB-CG 4.25Å; A96-E133 WeakPolarHBondContact CB-OE1 3.32Å; E133-D135 PolarHBondContact O-N 3.42Å
134H95.6Very high96.3Very high87 Ų8719.9 Ų19.940%0.40311%0.105SC..SBendtrans-8542.1-175.6-51.384.3000113.2V10 I11V10-H134 HydrophobicContact CG1-CB 3.52Å; I11-H134 CarbonylContact O-C 3.56Å; I11-H134 VanDerWaalsContact O-C 3.31Å; I11-H134 VanDerWaalsContact O-CA 3.27Å; I11-H134 WeakPolarHBondContact O-CA 3.39Å
135D95.5Very high96.6Very high47 Ų4720 Ų2025%0.25111%0.105SC..  trans-87.8-9-170.7-66.8-24.2000113.8C93 R94 E133C93-D135 HydrophobicContact CB-CB 4.45Å; R94-D135 WeakPolarHBondContact CB-OD2 3.3Å; R94-D135 WeakPolarHBondContact CG-OD2 3.35Å; R94-D135 IonicContact CZ-OD1 3.43Å; R94-D135 IonicContact CZ-OD2 3.58Å; R94-D135 PolarHBondContact N-OD2 3.39Å; R94-D135 IonicContact NE-OD1 2.56Å; R94-D135 PolarHBondContact NE-OD1 3.18Å; R94-D135 IonicContact NE-OD2 2.8Å; R94-D135 PolarHBondContact NE-OD2 2.81Å; R94-D135 IonicContact NH2-OD1 2.85Å; R94-D135 PolarHBondContact NH2-OD1 3.01Å; R94-D135 IonicContact NH2-OD2 3.49Å; E133-D135 PolarHBondContact O-N 3.42Å
136I96.9Very high96.8Very high2 Ų219.7 Ų19.71%0.0110%0.104CC..BIsolated β-bridgetrans-87.8140.8-171.9-60.1159000110.1I11 L13 E141 A142 L145I11-I136 HydrophobicContact CB-CB 3.88Å; I11-I136 HydrophobicContact CB-CG2 4.05Å; I11-I136 WeakPolarHBondContact CB-O 3.43Å; I11-I136 HydrophobicContact CD1-CG2 4.1Å; I11-I136 HydrophobicContact CG2-CB 4.21Å; I11-I136 HydrophobicContact CG2-CG2 4.17Å; I11-I136 PolarHBondContact N-O 3.39Å; I11-I136 WeakPolarHBondContact O-CB 3.32Å; I11-I136 PolarHBondContact O-N 3Å; L13-I136 HydrophobicContact CD1-CD1 3.72Å; L13-I136 HydrophobicContact CG-CD1 3.65Å; I136-E141 HydrophobicContact CG2-CB 3.89Å; I136-A142 HydrophobicContact CG2-CB 3.91Å; I136-L145 HydrophobicContact CD1-CD2 4.13Å
137Q95.2Very high96.8Very high57 Ų5724.7 Ų24.727%0.26613%0.125SC..  trans-122.5-2.5-170.8-58.4-176.9-23.800114.9M1 E141M1-Q137 HydrophobicContact CE-CB 4.48Å; Q137-E141 WeakPolarHBondContact CB-OE2 3.48Å; Q137-E141 PolarHBondContact N-OE2 2.78Å
138S95.9Very high96.8Very high28 Ų2827.3 Ų27.320%0.19614%0.137CC..SBendtrans-157.5163.1175.364.50000112.4L140 E141 A142S138-L140 PolarHBondContact O-N 3.36Å; S138-E141 PolarHBondContact O-N 3.32Å; S138-E141 WeakPolarHBondContact OG-CG 3.45Å; S138-E141 PolarHBondContact OG-N 3.38Å; S138-E141 VanDerWaalsContact OG-N 3.09Å; S138-A142 PolarHBondContact O-N 2.98Å
139G96.6Very high96.8Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-63.7-30.417200000112.6S143 R200 D204G139-S143 WeakPolarHBondContact O-CB 3.38Å; G139-S143 PolarHBondContact O-N 3.44Å; G139-S143 PolarHBondContact O-OG 2.86Å; G139-R200 WeakPolarHBondContact O-CA 3.42Å; G139-D204 VanDerWaalsContact CA-OD1 3.3Å; G139-D204 WeakPolarHBondContact CA-OD1 3.22Å; G139-D204 PolarHBondContact N-OD1 2.89Å
140L96Very high96.8Very high18 Ų1827.4 Ų27.49%0.09414%0.138CC..Hα-helixtrans-63.6-52.6173.3176.557.2000110.9V79 D81 S138 A142 S143 C144V79-L140 HydrophobicContact CG1-CD2 3.96Å; V79-L140 HydrophobicContact CG1-CG 3.96Å; D81-L140 HydrophobicContact CB-CD2 3.74Å; S138-L140 PolarHBondContact O-N 3.36Å; L140-A142 VanDerWaalsContact C-N 3.31Å; L140-A142 PolarHBondContact O-N 3.24Å; L140-S143 PolarHBondContact O-N 2.82Å; L140-S143 PolarHBondContact O-OG 3.4Å; L140-C144 PolarHBondContact O-N 3.01Å; L140-C144 PolarHBondContact O-SG 3.09Å
141E97Very high96.6Very high17 Ų1728.4 Ų28.48%0.07915%0.147CC..Hα-helixtrans-55.8-46.3176.6-74.7-175.9178.100111.6F77 V79 K91 I136 Q137 S138 S143 C144 L145F77-E141 HydrophobicContact CE2-CB 4.33Å; F77-E141 WeakPolarHBondContact CE2-O 3.15Å; V79-E141 HydrophobicContact CG1-CG 4.37Å; V79-E141 HydrophobicContact CG2-CG 3.87Å; K91-E141 WeakPolarHBondContact CE-OE1 3.32Å; K91-E141 IonicContact NZ-OE1 3.33Å; K91-E141 PolarHBondContact NZ-OE1 3.3Å; K91-E141 IonicContact NZ-OE2 2.87Å; I136-E141 HydrophobicContact CG2-CB 3.89Å; Q137-E141 WeakPolarHBondContact CB-OE2 3.48Å; Q137-E141 PolarHBondContact N-OE2 2.78Å; S138-E141 PolarHBondContact O-N 3.32Å; S138-E141 WeakPolarHBondContact OG-CG 3.45Å; S138-E141 PolarHBondContact OG-N 3.38Å; S138-E141 VanDerWaalsContact OG-N 3.09Å; E141-S143 PolarHBondContact O-N 2.98Å; E141-C144 PolarHBondContact O-N 2.61Å; E141-L145 WeakPolarHBondContact O-CB 3.47Å; E141-L145 PolarHBondContact O-N 3.1Å
142A98Very high96.4Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-57.2-47.6176.900000112L13 I136 S138 L140 C144 L145 V146 I199 I203L13-A142 HydrophobicContact CD1-CB 4.21Å; L13-A142 HydrophobicContact CD2-CB 4.44Å; I136-A142 HydrophobicContact CG2-CB 3.91Å; S138-A142 PolarHBondContact O-N 2.98Å; L140-A142 VanDerWaalsContact C-N 3.31Å; L140-A142 PolarHBondContact O-N 3.24Å; A142-C144 VanDerWaalsContact C-N 3.34Å; A142-C144 PolarHBondContact O-N 3.47Å; A142-L145 PolarHBondContact O-N 2.69Å; A142-V146 WeakPolarHBondContact O-CG2 3.03Å; A142-V146 PolarHBondContact O-N 2.91Å; A142-I199 HydrophobicContact CB-CG2 3.93Å; A142-I203 HydrophobicContact CB-CD1 3.34Å
143S97.4Very high96.2Very high16 Ų1629.4 Ų29.411%0.11215%0.151CC..Hα-helixtrans-64.9-36.8179.672.10000112.8G139 L140 E141 K147G139-S143 WeakPolarHBondContact O-CB 3.38Å; G139-S143 PolarHBondContact O-N 3.44Å; G139-S143 PolarHBondContact O-OG 2.86Å; L140-S143 PolarHBondContact O-N 2.82Å; L140-S143 PolarHBondContact O-OG 3.4Å; E141-S143 PolarHBondContact O-N 2.98Å; S143-K147 WeakPolarHBondContact O-CB 3.47Å; S143-K147 PolarHBondContact O-N 3.22Å
144C96.7Very high96Very high21 Ų2130.7 Ų30.714%0.14216%0.159CC..Hα-helixtrans-67.7-43.7175.3-73.20000111.6F77 Y78 L140 E141 A142 K147 E148F77-C144 HydrophobicContact CD2-CB 3.95Å; F77-C144 HydrophobicContact CE2-CB 4.32Å; Y78-C144 WeakPolarHBondContact O-CB 3.4Å; L140-C144 PolarHBondContact O-N 3.01Å; L140-C144 PolarHBondContact O-SG 3.09Å; E141-C144 PolarHBondContact O-N 2.61Å; A142-C144 VanDerWaalsContact C-N 3.34Å; A142-C144 PolarHBondContact O-N 3.47Å; C144-K147 PolarHBondContact O-N 2.81Å; C144-E148 WeakPolarHBondContact O-CB 3.31Å; C144-E148 PolarHBondContact O-N 3.44Å
145L97.9Very high95.8Very high1 Ų127.8 Ų27.81%0.00515%0.15CC..Hα-helixtrans-61.7-48.2176.2177127.5000111.7L13 I75 F77 C93 T132 I136 E141 A142 K147 E148 L149L13-L145 HydrophobicContact CD1-CD2 3.71Å; I75-L145 HydrophobicContact CG2-CD1 3.61Å; I75-L145 HydrophobicContact CG2-CG 4.34Å; F77-L145 HydrophobicContact CD1-CB 4.27Å; F77-L145 HydrophobicContact CD1-CD1 3.75Å; F77-L145 HydrophobicContact CD1-CG 4.44Å; F77-L145 HydrophobicContact CD2-CB 4.01Å; F77-L145 HydrophobicContact CE1-CB 4.23Å; F77-L145 HydrophobicContact CE1-CD1 3.53Å; F77-L145 HydrophobicContact CE1-CG 4.46Å; F77-L145 HydrophobicContact CE2-CB 3.95Å; F77-L145 HydrophobicContact CG-CB 4.17Å; F77-L145 HydrophobicContact CG-CD1 4.45Å; F77-L145 HydrophobicContact CZ-CB 4.06Å; F77-L145 HydrophobicContact CZ-CD1 4.05Å; C93-L145 HydrophobicContact CB-CD1 3.23Å; T132-L145 HydrophobicContact CG2-CD2 4.13Å; I136-L145 HydrophobicContact CD1-CD2 4.13Å; E141-L145 WeakPolarHBondContact O-CB 3.47Å; E141-L145 PolarHBondContact O-N 3.1Å; A142-L145 PolarHBondContact O-N 2.69Å; L145-K147 VanDerWaalsContact C-N 3.26Å; L145-K147 PolarHBondContact O-N 2.92Å; L145-E148 PolarHBondContact O-N 2.79Å; L145-E148 VanDerWaalsContact O-N 3.15Å; L145-L149 WeakPolarHBondContact O-CB 3.25Å; L145-L149 PolarHBondContact O-N 2.91Å
146V97.9Very high95.6Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-61.8-37.6177.41740000110.8L13 A142 Q150 L168 V170 L196 I199L13-V146 HydrophobicContact CD1-CG2 3.6Å; A142-V146 WeakPolarHBondContact O-CG2 3.03Å; A142-V146 PolarHBondContact O-N 2.91Å; V146-Q150 VanDerWaalsContact O-CB 3.26Å; V146-Q150 WeakPolarHBondContact O-CB 3.47Å; V146-Q150 PolarHBondContact O-N 2.87Å; V146-L168 HydrophobicContact CG1-CD2 4.38Å; V146-V170 HydrophobicContact CG1-CG2 3.91Å; V146-V170 HydrophobicContact CG2-CG1 4.36Å; V146-V170 HydrophobicContact CG2-CG2 4.11Å; V146-L196 HydrophobicContact CB-CD2 3.93Å; V146-L196 HydrophobicContact CG1-CD2 3.6Å; V146-I199 HydrophobicContact CB-CD1 4.31Å; V146-I199 HydrophobicContact CG1-CD1 4Å; V146-I199 HydrophobicContact CG2-CD1 4.15Å
147K96.2Very high95.4Very high106 Ų10630.7 Ų30.746%0.46117%0.173SC..Hα-helixtrans-64.6-41.7175.6-175.458176.4-179.40112.3S143 C144 L145 Q150 A151 L196S143-K147 WeakPolarHBondContact O-CB 3.47Å; S143-K147 PolarHBondContact O-N 3.22Å; C144-K147 PolarHBondContact O-N 2.81Å; L145-K147 VanDerWaalsContact C-N 3.26Å; L145-K147 PolarHBondContact O-N 2.92Å; K147-Q150 PolarHBondContact O-N 2.87Å; K147-A151 WeakPolarHBondContact O-CB 3.47Å; K147-A151 PolarHBondContact O-N 3.29Å; K147-L196 HydrophobicContact CB-CD1 4.2Å; K147-L196 HydrophobicContact CB-CD2 4.42Å; K147-L196 HydrophobicContact CD-CD1 3.69Å; K147-L196 HydrophobicContact CG-CD1 4.38Å
148E95.6Very high95.3Very high55 Ų5530.2 Ų30.226%0.25718%0.175SC..Hα-helixtrans-66.8-43.4178.8179.461.6-169.500111.6I75 F77 C144 L145 A151 L152 K279I75-E148 HydrophobicContact CD1-CG 4.16Å; I75-E148 HydrophobicContact CG1-CG 4.36Å; F77-E148 HydrophobicContact CB-CB 3.78Å; F77-E148 HydrophobicContact CB-CG 3.77Å; C144-E148 WeakPolarHBondContact O-CB 3.31Å; C144-E148 PolarHBondContact O-N 3.44Å; L145-E148 PolarHBondContact O-N 2.79Å; L145-E148 VanDerWaalsContact O-N 3.15Å; E148-A151 PolarHBondContact O-N 3.33Å; E148-L152 WeakPolarHBondContact O-CB 3.46Å; E148-L152 PolarHBondContact O-N 2.7Å; E148-K279 PolarHBondContact O-NZ 3.13Å; E148-K279 IonicContact OE1-NZ 2.67Å; E148-K279 PolarHBondContact OE1-NZ 3.21Å; E148-K279 IonicContact OE2-NZ 2.62Å; E148-K279 PolarHBondContact OE2-NZ 3.34Å
149L96.6Very high95.3Very high11 Ų1129 Ų296%0.05817%0.166CC..Hα-helixtrans-62.7-45.8174.6-178.261.3000111.6I15 I75 I130 L145 A151 L152 L153I15-L149 HydrophobicContact CB-CD2 4.31Å; I15-L149 HydrophobicContact CD1-CD2 4.21Å; I15-L149 HydrophobicContact CG1-CD2 4.23Å; I15-L149 HydrophobicContact CG2-CD2 4.16Å; I75-L149 HydrophobicContact CD1-CB 4.05Å; I75-L149 HydrophobicContact CD1-CD1 4.15Å; I130-L149 HydrophobicContact CD1-CD1 4.18Å; I130-L149 HydrophobicContact CD1-CD2 4.05Å; I130-L149 HydrophobicContact CD1-CG 4.5Å; I130-L149 HydrophobicContact CG2-CD2 4.31Å; L145-L149 WeakPolarHBondContact O-CB 3.25Å; L145-L149 PolarHBondContact O-N 2.91Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 3.36Å; L149-L152 WeakPolarHBondContact O-CB 3.26Å; L149-L152 PolarHBondContact O-N 2.79Å; L149-L152 VanDerWaalsContact O-N 3.16Å; L149-L153 HydrophobicContact CD1-CD1 4.3Å; L149-L153 HydrophobicContact CD1-CG 4.22Å; L149-L153 HydrophobicContact CG-CD1 4.07Å; L149-L153 HydrophobicContact CG-CG 4.43Å; L149-L153 WeakPolarHBondContact O-CG 3.45Å; L149-L153 PolarHBondContact O-N 2.92Å
150Q96Very high95.2Very high20 Ų2033.2 Ų33.29%0.09319%0.185CC..Hα-helixtrans-54.8-48.7174179.1-170.762.700110.9V146 K147 L152 L153 I154 G161 L168V146-Q150 VanDerWaalsContact O-CB 3.26Å; V146-Q150 WeakPolarHBondContact O-CB 3.47Å; V146-Q150 PolarHBondContact O-N 2.87Å; K147-Q150 PolarHBondContact O-N 2.87Å; Q150-L152 VanDerWaalsContact C-N 3.31Å; Q150-L152 PolarHBondContact O-N 3.03Å; Q150-L153 PolarHBondContact O-N 3.29Å; Q150-I154 HydrophobicContact CG-CD1 3.81Å; Q150-I154 WeakPolarHBondContact O-CB 3.49Å; Q150-I154 VanDerWaalsContact O-CG1 3.25Å; Q150-I154 WeakPolarHBondContact O-CG1 3.27Å; Q150-I154 PolarHBondContact O-N 2.99Å; Q150-G161 PolarHBondContact NE2-O 3.41Å; Q150-L168 HydrophobicContact CB-CD2 3.84Å; Q150-L168 HydrophobicContact CG-CD2 4Å
151A93.6Very high95.2Very high26 Ų2632.4 Ų32.422%0.21518%0.181CC..Hα-helixtrans-65-35.2179.600000112.5K147 E148 L149 A155 K279K147-A151 WeakPolarHBondContact O-CB 3.47Å; K147-A151 PolarHBondContact O-N 3.29Å; E148-A151 PolarHBondContact O-N 3.33Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 3.36Å; A151-A155 VanDerWaalsContact O-CB 3.25Å; A151-A155 WeakPolarHBondContact O-CB 3.44Å; A151-A155 PolarHBondContact O-N 3.01Å; A151-K279 HydrophobicContact CB-CD 4.42Å
152L93.6Very high95.1Very high41 Ų4136.2 Ų36.222%0.21520%0.195CC..Hα-helixtrans-65.3-50.9175.2-177.966.4000111.4E148 L149 Q150 I154 A155 I156 L276E148-L152 WeakPolarHBondContact O-CB 3.46Å; E148-L152 PolarHBondContact O-N 2.7Å; L149-L152 WeakPolarHBondContact O-CB 3.26Å; L149-L152 PolarHBondContact O-N 2.79Å; L149-L152 VanDerWaalsContact O-N 3.16Å; Q150-L152 VanDerWaalsContact C-N 3.31Å; Q150-L152 PolarHBondContact O-N 3.03Å; L152-I154 VanDerWaalsContact C-N 3.34Å; L152-I154 PolarHBondContact O-N 3.44Å; L152-A155 PolarHBondContact O-N 3.34Å; L152-A155 VanDerWaalsContact O-N 3.15Å; L152-I156 HydrophobicContact CD1-CD1 4.01Å; L152-I156 HydrophobicContact CD1-CG1 4.45Å; L152-I156 HydrophobicContact CG-CD1 3.85Å; L152-I156 VanDerWaalsContact O-CG1 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.43Å; L152-I156 PolarHBondContact O-N 3.47Å; L152-L276 HydrophobicContact CD1-CD2 3.4Å
153L94.8Very high94.9Very high10 Ų1036.7 Ų36.75%0.05220%0.197CC..Hα-helixtrans-62.2-40.6-179.2-67171.2000112.3A17 M128 I130 L149 Q150 A155 I156 G157 T158 C159 L168A17-L153 HydrophobicContact CB-CD1 3.74Å; M128-L153 HydrophobicContact CE-CD2 4.09Å; I130-L153 HydrophobicContact CD1-CD1 4.26Å; I130-L153 HydrophobicContact CD1-CD2 4.43Å; L149-L153 HydrophobicContact CD1-CD1 4.3Å; L149-L153 HydrophobicContact CD1-CG 4.22Å; L149-L153 HydrophobicContact CG-CD1 4.07Å; L149-L153 HydrophobicContact CG-CG 4.43Å; L149-L153 WeakPolarHBondContact O-CG 3.45Å; L149-L153 PolarHBondContact O-N 2.92Å; Q150-L153 PolarHBondContact O-N 3.29Å; L153-A155 VanDerWaalsContact C-N 3.35Å; L153-I156 PolarHBondContact O-N 3.18Å; L153-G157 PolarHBondContact O-N 3.01Å; L153-T158 PolarHBondContact O-N 3.34Å; L153-C159 HydrophobicContact CB-CB 4.01Å; L153-C159 HydrophobicContact CD1-CB 4.45Å; L153-L168 HydrophobicContact CD1-CD1 4.3Å
154I93.8Very high94.6Very high82 Ų8242.6 Ų42.642%0.42122%0.223SC..Hα-helixtrans-62.6-43.8174.3-70168.9000110.8Q150 L152 I156 G157 C159 H160Q150-I154 HydrophobicContact CG-CD1 3.81Å; Q150-I154 WeakPolarHBondContact O-CB 3.49Å; Q150-I154 VanDerWaalsContact O-CG1 3.25Å; Q150-I154 WeakPolarHBondContact O-CG1 3.27Å; Q150-I154 PolarHBondContact O-N 2.99Å; L152-I154 VanDerWaalsContact C-N 3.34Å; L152-I154 PolarHBondContact O-N 3.44Å; I154-I156 VanDerWaalsContact C-N 3.34Å; I154-I156 PolarHBondContact O-N 2.95Å; I154-G157 WeakPolarHBondContact O-CA 3.35Å; I154-G157 PolarHBondContact O-N 2.71Å; I154-G157 VanDerWaalsContact O-N 3.09Å; I154-C159 WeakPolarHBondContact CA-O 3.47Å; I154-C159 WeakPolarHBondContact CG1-O 3.45Å; I154-H160 WeakPolarHBondContact CD1-O 3.41Å; I154-H160 WeakPolarHBondContact CG1-O 3.41Å
155A91.4Very high94.3Very high26 Ų2645 Ų4522%0.21523%0.229CC..Hα-helixtrans-65.9-37.8-179.300000112.7A151 L152 L153 A275 K279A151-A155 VanDerWaalsContact O-CB 3.25Å; A151-A155 WeakPolarHBondContact O-CB 3.44Å; A151-A155 PolarHBondContact O-N 3.01Å; L152-A155 PolarHBondContact O-N 3.34Å; L152-A155 VanDerWaalsContact O-N 3.15Å; L153-A155 VanDerWaalsContact C-N 3.35Å; A155-A275 WeakPolarHBondContact O-CB 3.29Å; A155-K279 HydrophobicContact CB-CB 3.72Å; A155-K279 HydrophobicContact CB-CD 4.43Å; A155-K279 HydrophobicContact CB-CG 4.28Å
156I91.2Very high93.9Very high71 Ų7145.6 Ų45.636%0.36424%0.235SC..Hα-helixtrans-70.5-26.5174-61.4167.4000110.5L152 L153 I154 T158 L272 A275L152-I156 HydrophobicContact CD1-CD1 4.01Å; L152-I156 HydrophobicContact CD1-CG1 4.45Å; L152-I156 HydrophobicContact CG-CD1 3.85Å; L152-I156 VanDerWaalsContact O-CG1 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.43Å; L152-I156 PolarHBondContact O-N 3.47Å; L153-I156 PolarHBondContact O-N 3.18Å; I154-I156 VanDerWaalsContact C-N 3.34Å; I154-I156 PolarHBondContact O-N 2.95Å; I156-T158 HydrophobicContact CG2-CG2 3.74Å; I156-L272 HydrophobicContact CD1-CD1 4.06Å; I156-L272 HydrophobicContact CG1-CD1 4.06Å; I156-A275 HydrophobicContact CG1-CB 4.36Å
157G92Very high93.8Very high38 Ų3846 Ų4639%0.39224%0.237SC..THydrogen-bonded Turntrans88.27178.300000114.1N20 L153 I154N20-G157 PolarHBondContact ND2-O 2.9Å; L153-G157 PolarHBondContact O-N 3.01Å; I154-G157 WeakPolarHBondContact O-CA 3.35Å; I154-G157 PolarHBondContact O-N 2.71Å; I154-G157 VanDerWaalsContact O-N 3.09Å
158T93.3Very high93.8Very high48 Ų4841 Ų4129%0.29422%0.215SC..SBendtrans-82-18.6-17849.90000113.5I19 N20 L153 I156I19-T158 CarbonylContact C-O 3.56Å; I19-T158 WeakPolarHBondContact CA-O 3.34Å; N20-T158 WeakPolarHBondContact CB-O 3.47Å; N20-T158 PolarHBondContact N-O 3.28Å; L153-T158 PolarHBondContact O-N 3.34Å; I156-T158 HydrophobicContact CG2-CG2 3.74Å
159C95.8Very high93.8Very high1 Ų140.5 Ų40.51%0.00721%0.211CC..  trans-149.1141.2176.5-176.60000109.8A17 Q18 M128 L153 I154 G161A17-C159 HydrophobicContact CB-CB 4.36Å; Q18-C159 WeakPolarHBondContact O-CB 3.42Å; Q18-C159 PolarHBondContact O-SG 2.89Å; M128-C159 HydrophobicContact CE-CB 4.36Å; L153-C159 HydrophobicContact CB-CB 4.01Å; L153-C159 HydrophobicContact CD1-CB 4.45Å; I154-C159 WeakPolarHBondContact CA-O 3.47Å; I154-C159 WeakPolarHBondContact CG1-O 3.45Å; C159-G161 VanDerWaalsContact C-N 3.29Å; C159-G161 PolarHBondContact SG-N 2.92Å
160H95Very high93.9Very high90 Ų9040 Ų4042%0.41721%0.208SC..  trans-77.2-17.2174.4-69.6-48.7000113.2N20 I154 R162 E167N20-H160 PolarHBondContact ND2-CE1 2.84Å; N20-H160 PolarHBondContact OD1-NE2 2.83Å; I154-H160 WeakPolarHBondContact CD1-O 3.41Å; I154-H160 WeakPolarHBondContact CG1-O 3.41Å; H160-R162 VanDerWaalsContact C-N 3.32Å; H160-R162 PolarHBondContact O-N 3.21Å; H160-E167 WeakPolarHBondContact CB-OE2 3.44Å
161G94.5Very high93.9Very high1 Ų139.6 Ų39.61%0.0121%0.207CC..  trans72.711.9170.300000115.7Q150 C159 M163Q150-G161 PolarHBondContact NE2-O 3.41Å; C159-G161 VanDerWaalsContact C-N 3.29Å; C159-G161 PolarHBondContact SG-N 2.92Å; G161-M163 PolarHBondContact O-N 3.46Å
162R95Very high94.1Very high97 Ų9738.4 Ų38.437%0.36620%0.197SC..  trans-77.3104.2-176.6-59.9171.7-177.8164-2.1111.3H160 E164 R165 G166 E167H160-R162 VanDerWaalsContact C-N 3.32Å; H160-R162 PolarHBondContact O-N 3.21Å; R162-E164 VanDerWaalsContact C-N 3.32Å; R162-E164 WeakPolarHBondContact CB-OE1 3.17Å; R162-E164 PolarHBondContact O-N 2.94Å; R162-R165 HydrophobicContact CB-CB 4.1Å; R162-R165 HydrophobicContact CB-CG 4.2Å; R162-R165 PolarHBondContact O-N 3.39Å; R162-G166 PolarHBondContact O-N 3.49Å; R162-E167 HydrophobicContact CB-CB 4.46Å; R162-E167 HydrophobicContact CB-CG 4.46Å; R162-E167 WeakPolarHBondContact CB-OE2 3.45Å; R162-E167 WeakPolarHBondContact CD-OE2 3.45Å; R162-E167 VanDerWaalsContact CG-OE2 3.32Å; R162-E167 WeakPolarHBondContact CG-OE2 3.48Å; R162-E167 PolarHBondContact N-OE2 2.69Å; R162-E167 WeakPolarHBondContact O-CB 3.38Å; R162-E167 PolarHBondContact O-N 3.39Å
163M95.1Very high94.4Very high10 Ų1037 Ų375%0.04919%0.19CC..G310 helixtrans-67.4-34.8-179.2-60.1-176.479.400111.9G161 R165 G166 L168 V170 L193 N194 L196 I199G161-M163 PolarHBondContact O-N 3.46Å; M163-R165 PolarHBondContact O-N 2.86Å; M163-G166 PolarHBondContact O-N 2.8Å; M163-L168 WeakPolarHBondContact CA-O 3.34Å; M163-L168 HydrophobicContact CG-CB 4.07Å; M163-L168 HydrophobicContact CG-CD2 4.08Å; M163-L168 HydrophobicContact CG-CG 4.42Å; M163-V170 HydrophobicContact CE-CG2 4.22Å; M163-L193 VanDerWaalsContact CE-O 3.29Å; M163-L193 WeakPolarHBondContact CE-O 3.35Å; M163-N194 VanDerWaalsContact CB-O 3.3Å; M163-N194 WeakPolarHBondContact CB-O 3.46Å; M163-L196 HydrophobicContact SD-CD2 4.02Å; M163-L196 HydrophobicContact SD-CG 4.01Å; M163-I199 HydrophobicContact CE-CD1 3.7Å
164E90.5Very high94.5Very high140 Ų14036.6 Ų36.665%0.65419%0.187SC*.G310 helixtrans-66.2-24.4178.873.8-74.5179.600113.3R162R162-E164 VanDerWaalsContact C-N 3.32Å; R162-E164 WeakPolarHBondContact CB-OE1 3.17Å; R162-E164 PolarHBondContact O-N 2.94Å
165R90.1Very high94.6Very high72 Ų7233 Ų3327%0.27217%0.17SC..G310 helixtrans-930.1173.7-63.2-166.7-179.3-148.2-7.5112.9Y33 D34 R122 R162 M163 E167Y33-R165 HydrophobicContact CD1-CG 4.44Å; Y33-R165 HydrophobicContact CD2-CB 3.94Å; Y33-R165 HydrophobicContact CD2-CG 4.42Å; Y33-R165 HydrophobicContact CE1-CG 4.05Å; Y33-R165 HydrophobicContact CE2-CB 3.59Å; Y33-R165 HydrophobicContact CE2-CG 4.03Å; Y33-R165 VanDerWaalsContact CE2-O 3.24Å; Y33-R165 WeakPolarHBondContact CE2-O 3.36Å; D34-R165 IonicContact OD2-NH1 3Å; D34-R165 PolarHBondContact OD2-NH1 3.39Å; R122-R165 PolarHBondContact NH1-O 3.15Å; R162-R165 HydrophobicContact CB-CB 4.1Å; R162-R165 HydrophobicContact CB-CG 4.2Å; R162-R165 PolarHBondContact O-N 3.39Å; M163-R165 PolarHBondContact O-N 2.86Å; R165-E167 HydrophobicContact CB-CG 4.03Å; R165-E167 PolarHBondContact O-N 3.27Å
166G90.6Very high94.8Very high12 Ų1231.8 Ų31.812%0.12416%0.16CC..THydrogen-bonded Turntrans66.422.3-174.400000113.4R122 R162 M163 L168R122-G166 PolarHBondContact NH1-O 3.04Å; R122-G166 PolarHBondContact NH2-O 2.85Å; R162-G166 PolarHBondContact O-N 3.49Å; M163-G166 PolarHBondContact O-N 2.8Å; G166-L168 VanDerWaalsContact C-N 3.28Å
167E94.4Very high94.9Very high10 Ų1029.9 Ų29.95%0.04715%0.149CC..SBendtrans-77.9-20.4172.9-63.6168.9-175.900111Q18 H160 R162 R165Q18-E167 HydrophobicContact CB-CB 4.16Å; Q18-E167 WeakPolarHBondContact CB-O 3.37Å; Q18-E167 PolarHBondContact N-O 2.93Å; H160-E167 WeakPolarHBondContact CB-OE2 3.44Å; R162-E167 HydrophobicContact CB-CB 4.46Å; R162-E167 HydrophobicContact CB-CG 4.46Å; R162-E167 WeakPolarHBondContact CB-OE2 3.45Å; R162-E167 WeakPolarHBondContact CD-OE2 3.45Å; R162-E167 VanDerWaalsContact CG-OE2 3.32Å; R162-E167 WeakPolarHBondContact CG-OE2 3.48Å; R162-E167 PolarHBondContact N-OE2 2.69Å; R162-E167 WeakPolarHBondContact O-CB 3.38Å; R162-E167 PolarHBondContact O-N 3.39Å; R165-E167 HydrophobicContact CB-CG 4.03Å; R165-E167 PolarHBondContact O-N 3.27Å
168L96.5Very high95Very high0 Ų029.9 Ų29.90%014%0.138CC..EExtended strand (participates in β ladder)trans-134.9113.6171.9-17273.8000108.4I15 H16 A17 V146 Q150 L153 M163 G166I15-L168 HydrophobicContact CG2-CD1 3.56Å; I15-L168 HydrophobicContact CG2-CG 4.29Å; H16-L168 WeakPolarHBondContact O-CA 3.38Å; A17-L168 HydrophobicContact CB-CD1 3.75Å; V146-L168 HydrophobicContact CG1-CD2 4.38Å; Q150-L168 HydrophobicContact CB-CD2 3.84Å; Q150-L168 HydrophobicContact CG-CD2 4Å; L153-L168 HydrophobicContact CD1-CD1 4.3Å; M163-L168 WeakPolarHBondContact CA-O 3.34Å; M163-L168 HydrophobicContact CG-CB 4.07Å; M163-L168 HydrophobicContact CG-CD2 4.08Å; M163-L168 HydrophobicContact CG-CG 4.42Å; G166-L168 VanDerWaalsContact C-N 3.28Å
169R95.7Very high94.8Very high45 Ų4533.9 Ų33.917%0.1715%0.153CC..EExtended strand (participates in β ladder)trans-118144.8-178.7-60.2171.7-71.3-167.3-1.9109.1I15 H16 D103 R122I15-R169 CarbonylContact C-O 3.52Å; I15-R169 WeakPolarHBondContact CA-O 3.5Å; H16-R169 HydrophobicContact CB-CB 4.31Å; H16-R169 PolarHBondContact N-O 3.1Å; H16-R169 PolarHBondContact O-N 3.4Å; D103-R169 IonicContact OD1-CZ 3.7Å; D103-R169 IonicContact OD1-NH1 3.96Å; D103-R169 PolarHBondContact OD1-NH1 2.97Å; D103-R169 IonicContact OD1-NH2 3.69Å; D103-R169 PolarHBondContact OD1-NH2 3.1Å; D103-R169 IonicContact OD2-CZ 3.44Å; D103-R169 IonicContact OD2-NH1 3.36Å; D103-R169 IonicContact OD2-NH2 2.7Å; R122-R169 VanDerWaalsContact NH2-NH1 3.19Å
170V98Very high94.4Very high0 Ų041.1 Ų41.10%019%0.187CC..EExtended strand (participates in β ladder)trans-131.6130.8-179.1-178.50000109.3L13 E14 I15 V146 M163 L193 I199L13-V170 HydrophobicContact CD2-CG1 4.24Å; E14-V170 WeakPolarHBondContact O-CA 3.48Å; I15-V170 HydrophobicContact CG1-CG1 4.38Å; I15-V170 HydrophobicContact CG1-CG2 4.05Å; I15-V170 HydrophobicContact CG2-CG2 4.27Å; V146-V170 HydrophobicContact CG1-CG2 3.91Å; V146-V170 HydrophobicContact CG2-CG1 4.36Å; V146-V170 HydrophobicContact CG2-CG2 4.11Å; M163-V170 HydrophobicContact CE-CG2 4.22Å; V170-L193 HydrophobicContact CB-CB 4.44Å; V170-L193 VanDerWaalsContact O-CB 3.26Å; V170-L193 WeakPolarHBondContact O-CB 3.45Å; V170-L193 PolarHBondContact O-N 2.93Å; V170-I199 HydrophobicContact CB-CD1 3.9Å; V170-I199 HydrophobicContact CB-CG1 4.34Å; V170-I199 HydrophobicContact CG1-CD1 4.09Å; V170-I199 HydrophobicContact CG1-CG1 4.35Å; V170-I199 HydrophobicContact CG2-CD1 3.84Å
171D97.6Very high94.2Very high12 Ų1239.5 Ų39.56%0.06418%0.179CC..EExtended strand (participates in β ladder)trans-110.6142.3164.3-68.8-6.9000108.1L13 E14 V190 K191 N192L13-D171 WeakPolarHBondContact CA-O 3.44Å; E14-D171 HydrophobicContact CB-CB 4.33Å; E14-D171 PolarHBondContact N-O 3.01Å; E14-D171 PolarHBondContact O-N 2.86Å; D171-V190 WeakPolarHBondContact CA-O 3.42Å; D171-K191 VanDerWaalsContact OD1-CA 3.27Å; D171-K191 WeakPolarHBondContact OD1-CA 3.46Å; D171-K191 WeakPolarHBondContact OD2-CG 3.46Å; D171-K191 IonicContact OD2-NZ 2.69Å; D171-K191 PolarHBondContact OD2-NZ 2.88Å; D171-N192 PolarHBondContact OD1-N 2.79Å
172A98.1Very high93.8Very high0 Ų045.6 Ų45.60%022%0.216CC..EExtended strand (participates in β ladder)trans-118126.6-17700000111L13 V174 E189 V190 L193 I203L13-A172 HydrophobicContact CD2-CB 3.8Å; A172-V174 HydrophobicContact CB-CG2 4.36Å; A172-E189 CarbonylContact O-C 3.56Å; A172-E189 WeakPolarHBondContact O-CA 3.11Å; A172-V190 PolarHBondContact N-O 2.84Å; A172-V190 PolarHBondContact O-N 2.9Å; A172-L193 HydrophobicContact CB-CD1 3.65Å; A172-I203 HydrophobicContact CB-CD1 3.97Å; A172-I203 HydrophobicContact CB-CG1 3.89Å
173N97.9Very high93.5Very high13 Ų1348.5 Ų48.57%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-99109.4173.7-70.6-80.1000108.3I11 G12 R187I11-N173 VanDerWaalsContact CA-O 3.28Å; I11-N173 WeakPolarHBondContact CA-O 3.46Å; G12-N173 PolarHBondContact N-O 2.82Å; G12-N173 PolarHBondContact O-N 2.98Å; N173-R187 HydrophobicContact CB-CG 4.16Å; N173-R187 VanDerWaalsContact OD1-CD 3.26Å; N173-R187 WeakPolarHBondContact OD1-CD 3.17Å; N173-R187 VanDerWaalsContact OD1-CZ 3.24Å; N173-R187 PolarHBondContact OD1-NE 3.49Å; N173-R187 PolarHBondContact OD1-NH1 2.66Å
174V97.5Very high93.1Very high0 Ų052.7 Ų52.70%026%0.256CS..EExtended strand (participates in β ladder)trans-113.3132.3-173.6-173.50000110.4I11 A172 R187 T188 I203 E206 I207I11-V174 HydrophobicContact CG1-CG1 4.31Å; I11-V174 HydrophobicContact CG1-CG2 4.47Å; A172-V174 HydrophobicContact CB-CG2 4.36Å; V174-R187 WeakPolarHBondContact O-CA 3.32Å; V174-T188 PolarHBondContact N-O 3.38Å; V174-T188 PolarHBondContact O-N 3.02Å; V174-I203 HydrophobicContact CG2-CG1 4.13Å; V174-I203 HydrophobicContact CG2-CG2 4.48Å; V174-E206 HydrophobicContact CB-CB 4.11Å; V174-E206 HydrophobicContact CG1-CB 3.84Å; V174-E206 HydrophobicContact CG2-CB 4.27Å; V174-I207 HydrophobicContact CG1-CG1 4.05Å
175S96.4Very high93.2Very high8 Ų849 Ų496%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-142.2161.9168-176.30000108.9V10 R185 T186V10-S175 PolarHBondContact N-O 3.35Å; V10-S175 PolarHBondContact O-N 3.23Å; S175-R185 PolarHBondContact OG-O 2.87Å; S175-T186 PolarHBondContact OG-O 3.09Å
176V95.7Very high93.4Very high0 Ų047.8 Ų47.80%024%0.237CC..EExtended strand (participates in β ladder)trans-130.3150.8171-55.40000109W7 Q8 A9 R185 I207 H210 I211 Y214W7-V176 HydrophobicContact CE3-CB 4.24Å; W7-V176 HydrophobicContact CE3-CG2 3.85Å; W7-V176 HydrophobicContact CZ3-CG2 3.91Å; Q8-V176 CarbonylContact O-C 3.59Å; Q8-V176 VanDerWaalsContact O-CA 3.32Å; Q8-V176 WeakPolarHBondContact O-CA 3.36Å; A9-V176 HydrophobicContact CB-CG1 4.45Å; V176-R185 WeakPolarHBondContact O-CB 3.39Å; V176-R185 WeakPolarHBondContact O-CD 3.45Å; V176-R185 VanDerWaalsContact O-CG 3.28Å; V176-R185 WeakPolarHBondContact O-CG 3.38Å; V176-I207 HydrophobicContact CG1-CB 4.41Å; V176-I207 HydrophobicContact CG1-CG2 4.06Å; V176-H210 HydrophobicContact CB-CB 4.43Å; V176-H210 HydrophobicContact CG1-CB 4Å; V176-H210 HydrophobicContact CG2-CB 3.56Å; V176-I211 HydrophobicContact CB-CG1 4.46Å; V176-I211 HydrophobicContact CG1-CG1 4.3Å; V176-I211 HydrophobicContact CG2-CG1 4.22Å; V176-Y214 HydrophobicContact CG2-CD2 3.82Å; V176-Y214 HydrophobicContact CG2-CE2 3.73Å
177K94.1Very high93.6Very high31 Ų3152 Ų5214%0.13525%0.249CC..EExtended strand (participates in β ladder)trans-142.9163.4174.164.6174.7-173.6161.50110.8W7 Q8 V10 E181 T182 L184 R185W7-K177 CarbonylContact C-O 3.56Å; W7-K177 WeakPolarHBondContact CA-O 3.4Å; Q8-K177 PolarHBondContact N-O 3.09Å; Q8-K177 PolarHBondContact O-N 2.95Å; V10-K177 HydrophobicContact CG2-CD 4.14Å; V10-K177 HydrophobicContact CG2-CG 4.04Å; K177-E181 HydrophobicContact CB-CB 4.4Å; K177-E181 WeakPolarHBondContact CD-O 3.24Å; K177-E181 WeakPolarHBondContact CE-O 3.42Å; K177-E181 PolarHBondContact NZ-O 2.62Å; K177-T182 PolarHBondContact NZ-O 3.01Å; K177-L184 HydrophobicContact CD-CD2 4.4Å; K177-R185 HydrophobicContact CB-CG 4.27Å
178K93Very high93.6Very high38 Ų3851.6 Ų51.617%0.16525%0.247CC..EExtended strand (participates in β ladder)trans-72.6148.8168.9-64.4-67.3-168.6-179.80109.6S6 W7 H180 E181S6-K178 WeakPolarHBondContact O-CA 3.45Å; S6-K178 PolarHBondContact OG-NZ 3.42Å; W7-K178 HydrophobicContact CD2-CD 3.88Å; W7-K178 VanDerWaalsContact CE2-CE 3.48Å; W7-K178 HydrophobicContact CE3-CD 3.99Å; W7-K178 HydrophobicContact CE3-CG 4.43Å; W7-K178 HydrophobicContact CG-CD 4.45Å; W7-K178 HydrophobicContact CH2-CD 4.2Å; W7-K178 HydrophobicContact CZ2-CD 4.14Å; W7-K178 VanDerWaalsContact CZ2-NZ 3.27Å; W7-K178 HydrophobicContact CZ3-CD 4.15Å; W7-K178 HydrophobicContact CZ3-CG 4.28Å; K178-H180 VanDerWaalsContact CB-CE1 3.44Å; K178-H180 WeakPolarHBondContact CB-CE1 3.47Å; K178-H180 PolarHBondContact O-N 3.36Å; K178-H180 VanDerWaalsContact O-N 3.1Å; K178-E181 HydrophobicContact CB-CG 3.95Å; K178-E181 PolarHBondContact N-OE2 2.67Å; K178-E181 WeakPolarHBondContact O-CB 3.41Å; K178-E181 PolarHBondContact O-N 3.38Å
179Q88.4Confident93.7Very high132 Ų13252.4 Ų52.462%0.61725%0.251SS*.THydrogen-bonded Turntrans-57.1-29.5-178-71.7179.24.600114S5 S6 Q8S5-Q179 PolarHBondContact O-NE2 2.78Å; S6-Q179 PolarHBondContact O-N 2.82Å; Q8-Q179 HydrophobicContact CB-CG 4.46Å
180H88.4Confident93.7Very high153 Ų15350.3 Ų50.371%0.70824%0.243SC*.THydrogen-bonded Turntrans-85.8-8.9178.662.9-90.8000113.6K178K178-H180 VanDerWaalsContact CB-CE1 3.44Å; K178-H180 WeakPolarHBondContact CB-CE1 3.47Å; K178-H180 PolarHBondContact O-N 3.36Å; K178-H180 VanDerWaalsContact O-N 3.1Å
181E89.7Confident93.5Very high56 Ų5652.3 Ų52.326%0.26225%0.252SS..  trans-83.5133179.9-71.1170.4168.600110.7K177 K178 R185K177-E181 HydrophobicContact CB-CB 4.4Å; K177-E181 WeakPolarHBondContact CD-O 3.24Å; K177-E181 WeakPolarHBondContact CE-O 3.42Å; K177-E181 PolarHBondContact NZ-O 2.62Å; K178-E181 HydrophobicContact CB-CG 3.95Å; K178-E181 PolarHBondContact N-OE2 2.67Å; K178-E181 WeakPolarHBondContact O-CB 3.41Å; K178-E181 PolarHBondContact O-N 3.38Å; E181-R185 VanDerWaalsContact CD-NH2 3.26Å; E181-R185 IonicContact OE1-CZ 3.92Å; E181-R185 IonicContact OE1-NE 3.59Å; E181-R185 IonicContact OE1-NH2 3.71Å; E181-R185 PolarHBondContact OE1-NH2 3.37Å; E181-R185 IonicContact OE2-CZ 2.83Å; E181-R185 VanDerWaalsContact OE2-CZ 3.31Å; E181-R185 IonicContact OE2-NE 3.31Å; E181-R185 PolarHBondContact OE2-NE 2.82Å; E181-R185 IonicContact OE2-NH2 2.81Å; E181-R185 PolarHBondContact OE2-NH2 3.21Å
182T86.4Confident93Very high128 Ų12856.1 Ų56.179%0.78527%0.272SS*.  trans-85.1-42173.3490000111.1K177K177-T182 PolarHBondContact NZ-O 3.01Å
183E88.4Confident92.8Very high159 Ų15956.1 Ų56.174%0.74327%0.272SS*.SBendtrans-71146.2-177.6-61-164.5160.300112.8
184L87.4Confident92.4Very high98 Ų9858.9 Ų58.951%0.51329%0.287SS..  trans-81.5137.7174.1-61.3-177.9000109.5V10 K177V10-L184 HydrophobicContact CB-CD2 4.25Å; V10-L184 HydrophobicContact CG1-CD2 3.7Å; V10-L184 HydrophobicContact CG2-CD2 4.11Å; K177-L184 HydrophobicContact CD-CD2 4.4Å
185R92.6Very high92.3Very high63 Ų6360.7 Ų60.724%0.23830%0.3CS..  trans-85.8178.1173.5-54.6-167.2179.9-161.1-7.1111.3W7 S175 V176 K177 E181 R187 Y214W7-R185 VanDerWaalsContact CZ3-CZ 3.47Å; W7-R185 VanDerWaalsContact CZ3-NH1 3.25Å; S175-R185 PolarHBondContact OG-O 2.87Å; V176-R185 WeakPolarHBondContact O-CB 3.39Å; V176-R185 WeakPolarHBondContact O-CD 3.45Å; V176-R185 VanDerWaalsContact O-CG 3.28Å; V176-R185 WeakPolarHBondContact O-CG 3.38Å; K177-R185 HydrophobicContact CB-CG 4.27Å; E181-R185 VanDerWaalsContact CD-NH2 3.26Å; E181-R185 IonicContact OE1-CZ 3.92Å; E181-R185 IonicContact OE1-NE 3.59Å; E181-R185 IonicContact OE1-NH2 3.71Å; E181-R185 PolarHBondContact OE1-NH2 3.37Å; E181-R185 IonicContact OE2-CZ 2.83Å; E181-R185 VanDerWaalsContact OE2-CZ 3.31Å; E181-R185 IonicContact OE2-NE 3.31Å; E181-R185 PolarHBondContact OE2-NE 2.82Å; E181-R185 IonicContact OE2-NH2 2.81Å; E181-R185 PolarHBondContact OE2-NH2 3.21Å; R185-R187 PolarHBondContact O-N 2.83Å; R185-Y214 HydrophobicContact CB-CE2 4.49Å; R185-Y214 WeakPolarHBondContact CB-OH 3.36Å
186T93.9Very high92.2Very high45 Ų4562.4 Ų62.428%0.27631%0.308SS..  trans-47134178.6-55.50000112.3S175 H210 M220 T221 N222S175-T186 PolarHBondContact OG-O 3.09Å; T186-H210 PolarHBondContact O-CE1 3.33Å; T186-M220 HydrophobicContact CG2-CB 4Å; T186-M220 WeakPolarHBondContact CG2-O 3.4Å; T186-M220 PolarHBondContact OG1-O 2.96Å; T186-M220 VanDerWaalsContact OG1-O 3.14Å; T186-T221 VanDerWaalsContact CG2-C 3.41Å; T186-N222 HydrophobicContact CG2-CB 4.09Å
187R95Very high92.2Very high102 Ų10270.4 Ų70.439%0.38534%0.338SS..  trans-95.2139.5179.2-175.2-164.775.8162.9-0.9110.7N173 V174 R185 N222N173-R187 HydrophobicContact CB-CG 4.16Å; N173-R187 VanDerWaalsContact OD1-CD 3.26Å; N173-R187 WeakPolarHBondContact OD1-CD 3.17Å; N173-R187 VanDerWaalsContact OD1-CZ 3.24Å; N173-R187 PolarHBondContact OD1-NE 3.49Å; N173-R187 PolarHBondContact OD1-NH1 2.66Å; V174-R187 WeakPolarHBondContact O-CA 3.32Å; R185-R187 PolarHBondContact O-N 2.83Å; R187-N222 PolarHBondContact O-OD1 3.17Å
188T95.7Very high92.3Very high0 Ų072 Ų720%035%0.345CS..EExtended strand (participates in β ladder)trans-110.5131162.6-65.50000109.2V174 V190 E206 R209 H210 E223 R225V174-T188 PolarHBondContact N-O 3.38Å; V174-T188 PolarHBondContact O-N 3.02Å; T188-V190 HydrophobicContact CG2-CG2 4.33Å; T188-E206 HydrophobicContact CG2-CG 4.34Å; T188-R209 PolarHBondContact OG1-NH2 3.24Å; T188-H210 WeakPolarHBondContact CB-NE2 3.39Å; T188-H210 PolarHBondContact OG1-NE2 3.27Å; T188-E223 HydrophobicContact CG2-CG 4.2Å; T188-R225 HydrophobicContact CG2-CB 4.35Å; T188-R225 VanDerWaalsContact CG2-CD 3.44Å; T188-R225 HydrophobicContact CG2-CG 3.83Å
189E97.1Very high92.5Very high18 Ų1870.1 Ų70.18%0.08434%0.337CS..EExtended strand (participates in β ladder)trans-98.9120.3173.6-177.3-169.1-159.400109.1A172 K191 E223 T224 R225A172-E189 CarbonylContact O-C 3.56Å; A172-E189 WeakPolarHBondContact O-CA 3.11Å; E189-K191 HydrophobicContact CG-CG 4.18Å; E189-K191 VanDerWaalsContact OE1-CE 3.25Å; E189-K191 WeakPolarHBondContact OE1-CE 3.25Å; E189-K191 IonicContact OE1-NZ 3.75Å; E189-K191 PolarHBondContact OE1-NZ 2.85Å; E189-K191 WeakPolarHBondContact OE2-CE 3.26Å; E189-K191 IonicContact OE2-NZ 3.44Å; E189-E223 PolarHBondContact N-O 3.3Å; E189-T224 CarbonylContact O-C 3.54Å; E189-T224 WeakPolarHBondContact O-CA 3.44Å; E189-T224 PolarHBondContact OE2-OG1 2.75Å; E189-R225 PolarHBondContact O-N 2.78Å
190V96.9Very high92.9Very high0 Ų069 Ų690%033%0.327CS..EExtended strand (participates in β ladder)trans-102.5115.2174-1690000109.2D171 A172 T188 L193 A202 E206 R225 F227 T234D171-V190 WeakPolarHBondContact CA-O 3.42Å; A172-V190 PolarHBondContact N-O 2.84Å; A172-V190 PolarHBondContact O-N 2.9Å; T188-V190 HydrophobicContact CG2-CG2 4.33Å; V190-L193 HydrophobicContact CB-CD1 4.46Å; V190-L193 HydrophobicContact CG1-CD1 4.43Å; V190-L193 HydrophobicContact CG1-CD2 3.95Å; V190-L193 HydrophobicContact CG1-CG 4.36Å; V190-A202 HydrophobicContact CG1-CB 4.19Å; V190-E206 HydrophobicContact CG2-CG 3.63Å; V190-R225 WeakPolarHBondContact CA-O 3.44Å; V190-F227 HydrophobicContact CG1-CB 4.35Å; V190-T234 HydrophobicContact CG1-CG2 4.08Å; V190-T234 HydrophobicContact CG2-CG2 4.16Å
191K93.9Very high93.2Very high42 Ų4266 Ų6618%0.18331%0.312CS..EExtended strand (participates in β ladder)trans-94.5158.3-175.4-71.6-164.7166.8-62.40114.1D171 E189 T224 R225 M237D171-K191 VanDerWaalsContact OD1-CA 3.27Å; D171-K191 WeakPolarHBondContact OD1-CA 3.46Å; D171-K191 WeakPolarHBondContact OD2-CG 3.46Å; D171-K191 IonicContact OD2-NZ 2.69Å; D171-K191 PolarHBondContact OD2-NZ 2.88Å; E189-K191 HydrophobicContact CG-CG 4.18Å; E189-K191 VanDerWaalsContact OE1-CE 3.25Å; E189-K191 WeakPolarHBondContact OE1-CE 3.25Å; E189-K191 IonicContact OE1-NZ 3.75Å; E189-K191 PolarHBondContact OE1-NZ 2.85Å; E189-K191 WeakPolarHBondContact OE2-CE 3.26Å; E189-K191 IonicContact OE2-NZ 3.44Å; K191-T224 HydrophobicContact CD-CG2 3.69Å; K191-T224 HydrophobicContact CG-CG2 3.72Å; K191-R225 PolarHBondContact N-O 3.19Å; K191-M237 HydrophobicContact CB-SD 4.37Å
192N86.6Confident93.6Very high92 Ų9263.3 Ų63.349%0.49230%0.299SS..  trans63.942.6167.6-58.8-57.4000114.5D171 N194D171-N192 PolarHBondContact OD1-N 2.79Å; N192-N194 PolarHBondContact O-N 2.7Å; N192-N194 PolarHBondContact O-ND2 3.36Å
193L94Very high94.2Very high1 Ų157.2 Ų57.21%0.00526%0.262CS..  trans-80.487.8178.9-58.5166.3000111.1M163 V170 A172 V190 S195 I199 A202 F227M163-L193 VanDerWaalsContact CE-O 3.29Å; M163-L193 WeakPolarHBondContact CE-O 3.35Å; V170-L193 HydrophobicContact CB-CB 4.44Å; V170-L193 VanDerWaalsContact O-CB 3.26Å; V170-L193 WeakPolarHBondContact O-CB 3.45Å; V170-L193 PolarHBondContact O-N 2.93Å; A172-L193 HydrophobicContact CB-CD1 3.65Å; V190-L193 HydrophobicContact CB-CD1 4.46Å; V190-L193 HydrophobicContact CG1-CD1 4.43Å; V190-L193 HydrophobicContact CG1-CD2 3.95Å; V190-L193 HydrophobicContact CG1-CG 4.36Å; L193-S195 VanDerWaalsContact C-N 3.3Å; L193-S195 PolarHBondContact O-N 2.85Å; L193-I199 HydrophobicContact CB-CG1 3.55Å; L193-I199 HydrophobicContact CD1-CG1 4.18Å; L193-I199 HydrophobicContact CG-CG1 4.43Å; L193-A202 HydrophobicContact CD2-CB 3.53Å; L193-F227 HydrophobicContact CD2-CB 3.8Å; L193-F227 HydrophobicContact CD2-CG 4.34Å
194N89.9Confident94.5Very high71 Ų7152.6 Ų52.638%0.3824%0.242SC..  trans-86.717.6-172.8-58.5-37.8000115M163 N192M163-N194 VanDerWaalsContact CB-O 3.3Å; M163-N194 WeakPolarHBondContact CB-O 3.46Å; N192-N194 PolarHBondContact O-N 2.7Å; N192-N194 PolarHBondContact O-ND2 3.36Å
195S94.4Very high95Very high38 Ų3850.6 Ų50.627%0.26623%0.23SC..SBendtrans-155.6141.7177.8176.90000111.1L193 R197 F198 I199L193-S195 VanDerWaalsContact C-N 3.3Å; L193-S195 PolarHBondContact O-N 2.85Å; S195-R197 PolarHBondContact O-N 2.87Å; S195-R197 PolarHBondContact OG-N 2.77Å; S195-F198 WeakPolarHBondContact O-CA 3.47Å; S195-F198 PolarHBondContact O-N 2.95Å; S195-I199 WeakPolarHBondContact O-CG1 3.39Å; S195-I199 PolarHBondContact O-N 3.37Å
196L95.4Very high95.2Very high43 Ų4347.6 Ų47.623%0.22522%0.218CC..Hα-helixtrans-54.7-36.6173.2-58.4172.7000112.5V146 K147 M163 I199 R200V146-L196 HydrophobicContact CB-CD2 3.93Å; V146-L196 HydrophobicContact CG1-CD2 3.6Å; K147-L196 HydrophobicContact CB-CD1 4.2Å; K147-L196 HydrophobicContact CB-CD2 4.42Å; K147-L196 HydrophobicContact CD-CD1 3.69Å; K147-L196 HydrophobicContact CG-CD1 4.38Å; M163-L196 HydrophobicContact SD-CD2 4.02Å; M163-L196 HydrophobicContact SD-CG 4.01Å; L196-I199 HydrophobicContact CD2-CD1 4.39Å; L196-R200 PolarHBondContact O-N 2.89Å; L196-R200 VanDerWaalsContact O-N 3.15Å
197R94.7Very high95.4Very high168 Ų16846.7 Ų46.763%0.63421%0.211SC*.Hα-helixtrans-67.3-40.5176.5-174.7-178.2-177.4-167.90.3111.4S195 K201S195-R197 PolarHBondContact O-N 2.87Å; S195-R197 PolarHBondContact OG-N 2.77Å; R197-K201 WeakPolarHBondContact O-CG 3.33Å; R197-K201 PolarHBondContact O-N 3.26Å; R197-K201 VanDerWaalsContact O-N 3.07Å
198F95.6Very high95.4Very high64 Ų6444.5 Ų44.528%0.28122%0.215SC..Hα-helixtrans-72.5-38.6179.9-61.3-17.9000111.3S195 R200 K201 A202 F227 F229S195-F198 WeakPolarHBondContact O-CA 3.47Å; S195-F198 PolarHBondContact O-N 2.95Å; F198-R200 VanDerWaalsContact C-N 3.35Å; F198-R200 PolarHBondContact O-N 3.43Å; F198-K201 PolarHBondContact O-N 3.32Å; F198-A202 WeakPolarHBondContact O-CB 3.37Å; F198-A202 PolarHBondContact O-N 3.43Å; F198-F227 HydrophobicContact CB-CD1 3.77Å; F198-F227 HydrophobicContact CB-CE1 3.74Å; F198-F227 HydrophobicContact CD1-CD1 4.29Å; F198-F227 AromaticContact CD1-CE1 3.57Å; F198-F227 HydrophobicContact CD1-CE1 3.57Å; F198-F227 HydrophobicContact CD1-CZ 4.47Å; F198-F227 HydrophobicContact CD2-CD1 4.49Å; F198-F227 HydrophobicContact CE1-CE1 4.31Å; F198-F227 AromaticContact CG-CD1 3.96Å; F198-F227 HydrophobicContact CG-CD1 3.96Å; F198-F227 AromaticContact CG-CE1 3.71Å; F198-F227 HydrophobicContact CG-CE1 3.71Å; F198-F229 HydrophobicContact CE1-CB 3.94Å; F198-F229 HydrophobicContact CE2-CB 4.16Å; F198-F229 HydrophobicContact CZ-CB 3.71Å; F198-F229 HydrophobicContact CZ-CG 4.44Å
199I97.3Very high95.4Very high0 Ų046.8 Ų46.80%022%0.224CC..Hα-helixtrans-53.4-54.1171.3-67.7165.2000110A142 V146 M163 V170 L193 S195 L196 K201 I203A142-I199 HydrophobicContact CB-CG2 3.93Å; V146-I199 HydrophobicContact CB-CD1 4.31Å; V146-I199 HydrophobicContact CG1-CD1 4Å; V146-I199 HydrophobicContact CG2-CD1 4.15Å; M163-I199 HydrophobicContact CE-CD1 3.7Å; V170-I199 HydrophobicContact CB-CD1 3.9Å; V170-I199 HydrophobicContact CB-CG1 4.34Å; V170-I199 HydrophobicContact CG1-CD1 4.09Å; V170-I199 HydrophobicContact CG1-CG1 4.35Å; V170-I199 HydrophobicContact CG2-CD1 3.84Å; L193-I199 HydrophobicContact CB-CG1 3.55Å; L193-I199 HydrophobicContact CD1-CG1 4.18Å; L193-I199 HydrophobicContact CG-CG1 4.43Å; S195-I199 WeakPolarHBondContact O-CG1 3.39Å; S195-I199 PolarHBondContact O-N 3.37Å; L196-I199 HydrophobicContact CD2-CD1 4.39Å; I199-K201 PolarHBondContact O-N 3.02Å; I199-I203 HydrophobicContact CG2-CD1 3.71Å; I199-I203 WeakPolarHBondContact O-CB 3.47Å; I199-I203 WeakPolarHBondContact O-CG1 3.48Å; I199-I203 PolarHBondContact O-N 3.5Å; I199-I203 VanDerWaalsContact O-N 3.1Å
200R96.5Very high95.4Very high107 Ų10746 Ų4640%0.40422%0.22SC..Hα-helixtrans-57.6-53.3179.9177.6170.2-179.3178.83.7111.9G139 L196 F198 I203 D204G139-R200 WeakPolarHBondContact O-CA 3.42Å; L196-R200 PolarHBondContact O-N 2.89Å; L196-R200 VanDerWaalsContact O-N 3.15Å; F198-R200 VanDerWaalsContact C-N 3.35Å; F198-R200 PolarHBondContact O-N 3.43Å; R200-I203 PolarHBondContact O-N 3.16Å; R200-D204 WeakPolarHBondContact CG-OD2 3.49Å; R200-D204 IonicContact NE-OD2 3.61Å; R200-D204 WeakPolarHBondContact O-CB 3.48Å; R200-D204 PolarHBondContact O-N 2.91Å
201K96.4Very high95.3Very high90 Ų9047.4 Ų47.439%0.39123%0.227SC..Hα-helixtrans-61.8-45.7-177.5-79-168.7164.7-158.10112.9R197 F198 I199 D204 F205 F227R197-K201 WeakPolarHBondContact O-CG 3.33Å; R197-K201 PolarHBondContact O-N 3.26Å; R197-K201 VanDerWaalsContact O-N 3.07Å; F198-K201 PolarHBondContact O-N 3.32Å; I199-K201 PolarHBondContact O-N 3.02Å; K201-D204 PolarHBondContact O-N 3.41Å; K201-F205 VanDerWaalsContact O-CB 3.26Å; K201-F205 WeakPolarHBondContact O-CB 3.31Å; K201-F205 PolarHBondContact O-N 3.15Å; K201-F227 HydrophobicContact CB-CE2 3.97Å; K201-F227 HydrophobicContact CB-CZ 3.69Å; K201-F227 HydrophobicContact CD-CZ 4.21Å
202A97.5Very high95.4Very high0 Ų051.7 Ų51.70%025%0.248CC..Hα-helixtrans-63.2-44-177.800000111.7V190 L193 F198 F205 E206 F227 T234V190-A202 HydrophobicContact CG1-CB 4.19Å; L193-A202 HydrophobicContact CD2-CB 3.53Å; F198-A202 WeakPolarHBondContact O-CB 3.37Å; F198-A202 PolarHBondContact O-N 3.43Å; A202-F205 PolarHBondContact O-N 2.97Å; A202-E206 PolarHBondContact O-N 2.87Å; A202-F227 HydrophobicContact CB-CB 4.13Å; A202-F227 HydrophobicContact CB-CD2 3.45Å; A202-F227 VanDerWaalsContact CB-CD2 3.45Å; A202-F227 HydrophobicContact CB-CE2 4.01Å; A202-F227 HydrophobicContact CB-CG 3.88Å; A202-T234 HydrophobicContact CB-CG2 4.36Å
203I97.9Very high95.8Very high0 Ų048.4 Ų48.40%023%0.232CC..Hα-helixtrans-66.5-48.2177.9-69.4169.5000110.4I11 L13 A142 A172 V174 I199 R200 F205 E206 I207I11-I203 HydrophobicContact CD1-CG2 3.52Å; I11-I203 HydrophobicContact CG1-CG2 4.09Å; I11-I203 HydrophobicContact CG2-CD1 4.2Å; L13-I203 HydrophobicContact CD2-CD1 4.18Å; A142-I203 HydrophobicContact CB-CD1 3.34Å; A172-I203 HydrophobicContact CB-CD1 3.97Å; A172-I203 HydrophobicContact CB-CG1 3.89Å; V174-I203 HydrophobicContact CG2-CG1 4.13Å; V174-I203 HydrophobicContact CG2-CG2 4.48Å; I199-I203 HydrophobicContact CG2-CD1 3.71Å; I199-I203 WeakPolarHBondContact O-CB 3.47Å; I199-I203 WeakPolarHBondContact O-CG1 3.48Å; I199-I203 PolarHBondContact O-N 3.5Å; I199-I203 VanDerWaalsContact O-N 3.1Å; R200-I203 PolarHBondContact O-N 3.16Å; I203-F205 VanDerWaalsContact C-N 3.26Å; I203-F205 PolarHBondContact O-N 3.02Å; I203-E206 PolarHBondContact O-N 3.31Å; I203-I207 HydrophobicContact CG2-CD1 3.8Å; I203-I207 HydrophobicContact CG2-CG1 4.36Å; I203-I207 VanDerWaalsContact O-CG1 3.23Å; I203-I207 WeakPolarHBondContact O-CG1 3.19Å; I203-I207 PolarHBondContact O-N 2.85Å
204D96.8Very high95.8Very high62 Ų6250.1 Ų50.133%0.33224%0.239SC..Hα-helixtrans-61-37.9179.6-68.9-19.5000111.2G139 R200 K201 A208G139-D204 VanDerWaalsContact CA-OD1 3.3Å; G139-D204 WeakPolarHBondContact CA-OD1 3.22Å; G139-D204 PolarHBondContact N-OD1 2.89Å; R200-D204 WeakPolarHBondContact CG-OD2 3.49Å; R200-D204 IonicContact NE-OD2 3.61Å; R200-D204 WeakPolarHBondContact O-CB 3.48Å; R200-D204 PolarHBondContact O-N 2.91Å; K201-D204 PolarHBondContact O-N 3.41Å; D204-A208 PolarHBondContact O-N 3.39Å
205F97Very high96Very high57 Ų5752.6 Ų52.625%0.2525%0.248CC..Hα-helixtrans-64.1-48.6173.8-179.2-90.9000112.3K201 A202 I203 I207 A208 R209 E233 T234K201-F205 VanDerWaalsContact O-CB 3.26Å; K201-F205 WeakPolarHBondContact O-CB 3.31Å; K201-F205 PolarHBondContact O-N 3.15Å; A202-F205 PolarHBondContact O-N 2.97Å; I203-F205 VanDerWaalsContact C-N 3.26Å; I203-F205 PolarHBondContact O-N 3.02Å; F205-I207 VanDerWaalsContact C-N 3.33Å; F205-I207 PolarHBondContact O-N 2.73Å; F205-A208 PolarHBondContact O-N 2.95Å; F205-R209 HydrophobicContact CE1-CB 4.46Å; F205-R209 WeakPolarHBondContact O-CB 3.2Å; F205-R209 PolarHBondContact O-N 3.42Å; F205-E233 HydrophobicContact CD2-CB 4.41Å; F205-E233 HydrophobicContact CD2-CG 4.32Å; F205-E233 HydrophobicContact CE1-CB 4.11Å; F205-E233 HydrophobicContact CE2-CB 3.78Å; F205-E233 HydrophobicContact CE2-CG 3.57Å; F205-E233 HydrophobicContact CZ-CB 3.6Å; F205-E233 HydrophobicContact CZ-CG 3.82Å; F205-T234 HydrophobicContact CD1-CG2 3.97Å; F205-T234 VanDerWaalsContact CD1-OG1 3.29Å; F205-T234 WeakPolarHBondContact CD1-OG1 3.25Å; F205-T234 WeakPolarHBondContact CE1-OG1 3.35Å
206E97.3Very high96Very high0 Ų054.4 Ų54.40%026%0.261CS..Hα-helixtrans-63.1-38.3178.9-81.2-57146.800113V174 T188 V190 A202 I203 A208 R209 H210 R225 T234V174-E206 HydrophobicContact CB-CB 4.11Å; V174-E206 HydrophobicContact CG1-CB 3.84Å; V174-E206 HydrophobicContact CG2-CB 4.27Å; T188-E206 HydrophobicContact CG2-CG 4.34Å; V190-E206 HydrophobicContact CG2-CG 3.63Å; A202-E206 PolarHBondContact O-N 2.87Å; I203-E206 PolarHBondContact O-N 3.31Å; E206-A208 VanDerWaalsContact C-N 3.34Å; E206-A208 PolarHBondContact O-N 3.01Å; E206-R209 PolarHBondContact O-N 2.56Å; E206-R209 IonicContact OE1-NE 3.54Å; E206-R209 IonicContact OE1-NH2 3.52Å; E206-R209 IonicContact OE2-CZ 3.29Å; E206-R209 VanDerWaalsContact OE2-CZ 3.29Å; E206-R209 IonicContact OE2-NE 2.85Å; E206-R209 PolarHBondContact OE2-NE 3.33Å; E206-R209 IonicContact OE2-NH2 2.71Å; E206-R209 PolarHBondContact OE2-NH2 3.48Å; E206-H210 WeakPolarHBondContact O-CB 3.44Å; E206-H210 PolarHBondContact O-CD2 3.31Å; E206-H210 PolarHBondContact O-N 3.14Å; E206-H210 IonicContact OE2-CD2 3.02Å; E206-H210 PolarHBondContact OE2-CD2 2.75Å; E206-H210 IonicContact OE2-NE2 3.08Å; E206-R225 WeakPolarHBondContact OE1-CD 3.27Å; E206-R225 IonicContact OE1-NE 2.88Å; E206-R225 PolarHBondContact OE1-NE 3.43Å; E206-R225 VanDerWaalsContact OE1-NE 3.08Å; E206-T234 HydrophobicContact CG-CG2 3.94Å; E206-T234 WeakPolarHBondContact OE1-CB 3.25Å; E206-T234 WeakPolarHBondContact OE1-CG2 3.27Å; E206-T234 PolarHBondContact OE1-OG1 3.31Å
207I96.8Very high95.9Very high25 Ų2555 Ų5513%0.12828%0.278CS..Hα-helixtrans-58.4-50.3174.6-66.8164.5000109.7A9 I11 V174 V176 I203 F205 R209 H210 I211A9-I207 HydrophobicContact CB-CD1 3.63Å; A9-I207 HydrophobicContact CB-CG1 3.73Å; A9-I207 HydrophobicContact CB-CG2 4.28Å; I11-I207 HydrophobicContact CD1-CD1 4.09Å; V174-I207 HydrophobicContact CG1-CG1 4.05Å; V176-I207 HydrophobicContact CG1-CB 4.41Å; V176-I207 HydrophobicContact CG1-CG2 4.06Å; I203-I207 HydrophobicContact CG2-CD1 3.8Å; I203-I207 HydrophobicContact CG2-CG1 4.36Å; I203-I207 VanDerWaalsContact O-CG1 3.23Å; I203-I207 WeakPolarHBondContact O-CG1 3.19Å; I203-I207 PolarHBondContact O-N 2.85Å; F205-I207 VanDerWaalsContact C-N 3.33Å; F205-I207 PolarHBondContact O-N 2.73Å; I207-R209 PolarHBondContact O-N 2.92Å; I207-H210 PolarHBondContact O-N 3.05Å; I207-I211 HydrophobicContact CG2-CD1 3.77Å; I207-I211 WeakPolarHBondContact O-CB 3.33Å; I207-I211 VanDerWaalsContact O-CG1 3.26Å; I207-I211 WeakPolarHBondContact O-CG1 3.45Å; I207-I211 PolarHBondContact O-N 2.83Å
208A96.1Very high95.9Very high57 Ų5751.6 Ų51.647%0.47127%0.272SS..Hα-helixtrans-61.3-45.7179.900000111.5D204 F205 E206 H210 I211 E212D204-A208 PolarHBondContact O-N 3.39Å; F205-A208 PolarHBondContact O-N 2.95Å; E206-A208 VanDerWaalsContact C-N 3.34Å; E206-A208 PolarHBondContact O-N 3.01Å; A208-H210 PolarHBondContact O-N 3.41Å; A208-I211 PolarHBondContact O-N 2.97Å; A208-E212 WeakPolarHBondContact O-CB 3.31Å; A208-E212 PolarHBondContact O-N 3.29Å
209R96Very high95.6Very high48 Ų4857.5 Ų57.518%0.18130%0.298CS..Hα-helixtrans-61.5-44.1179.3-170.5-168.872.299.7-13.3112.6T188 F205 E206 I207 C213 E223T188-R209 PolarHBondContact OG1-NH2 3.24Å; F205-R209 HydrophobicContact CE1-CB 4.46Å; F205-R209 WeakPolarHBondContact O-CB 3.2Å; F205-R209 PolarHBondContact O-N 3.42Å; E206-R209 PolarHBondContact O-N 2.56Å; E206-R209 IonicContact OE1-NE 3.54Å; E206-R209 IonicContact OE1-NH2 3.52Å; E206-R209 IonicContact OE2-CZ 3.29Å; E206-R209 VanDerWaalsContact OE2-CZ 3.29Å; E206-R209 IonicContact OE2-NE 2.85Å; E206-R209 PolarHBondContact OE2-NE 3.33Å; E206-R209 IonicContact OE2-NH2 2.71Å; E206-R209 PolarHBondContact OE2-NH2 3.48Å; I207-R209 PolarHBondContact O-N 2.92Å; R209-C213 VanDerWaalsContact O-CB 3.31Å; R209-C213 WeakPolarHBondContact O-CB 3.46Å; R209-C213 PolarHBondContact O-N 3.21Å; R209-E223 IonicContact CZ-OE1 3.22Å; R209-E223 VanDerWaalsContact CZ-OE1 3.22Å; R209-E223 IonicContact NH1-OE1 3.09Å; R209-E223 PolarHBondContact NH1-OE1 2.93Å; R209-E223 VanDerWaalsContact NH1-OE1 3.09Å; R209-E223 IonicContact NH2-OE1 3.59Å; R209-E223 PolarHBondContact NH2-OE1 3.42Å
210H96Very high95.3Very high0 Ų058.2 Ų58.20%030%0.301CS..Hα-helixtrans-62.5-46.4176.3-84.7-134.8000111.1V176 T186 T188 E206 I207 A208 C213 Y214 M220V176-H210 HydrophobicContact CB-CB 4.43Å; V176-H210 HydrophobicContact CG1-CB 4Å; V176-H210 HydrophobicContact CG2-CB 3.56Å; T186-H210 PolarHBondContact O-CE1 3.33Å; T188-H210 WeakPolarHBondContact CB-NE2 3.39Å; T188-H210 PolarHBondContact OG1-NE2 3.27Å; E206-H210 WeakPolarHBondContact O-CB 3.44Å; E206-H210 PolarHBondContact O-CD2 3.31Å; E206-H210 PolarHBondContact O-N 3.14Å; E206-H210 IonicContact OE2-CD2 3.02Å; E206-H210 PolarHBondContact OE2-CD2 2.75Å; E206-H210 IonicContact OE2-NE2 3.08Å; I207-H210 PolarHBondContact O-N 3.05Å; A208-H210 PolarHBondContact O-N 3.41Å; H210-C213 PolarHBondContact O-N 3.2Å; H210-Y214 HydrophobicContact CB-CE2 4.35Å; H210-Y214 WeakPolarHBondContact O-CD2 3.35Å; H210-Y214 PolarHBondContact O-N 2.66Å; H210-M220 WeakPolarHBondContact CD2-CE 3.38Å; H210-M220 WeakPolarHBondContact NE2-CE 3.33Å
211I95.2Very high94.9Very high30 Ų3057.8 Ų57.815%0.15431%0.311CS..Hα-helixtrans-59.5-50.7179-71.6170.9000110.3W7 V176 I207 A208 C213 Y214 E215W7-I211 HydrophobicContact CB-CD1 3.8Å; W7-I211 HydrophobicContact CB-CG1 4.05Å; W7-I211 HydrophobicContact CD2-CG1 3.93Å; W7-I211 HydrophobicContact CD2-CG2 4.5Å; W7-I211 HydrophobicContact CE3-CG1 4.41Å; W7-I211 HydrophobicContact CG-CD1 3.96Å; W7-I211 HydrophobicContact CG-CG1 3.78Å; W7-I211 HydrophobicContact CG-CG2 4.3Å; V176-I211 HydrophobicContact CB-CG1 4.46Å; V176-I211 HydrophobicContact CG1-CG1 4.3Å; V176-I211 HydrophobicContact CG2-CG1 4.22Å; I207-I211 HydrophobicContact CG2-CD1 3.77Å; I207-I211 WeakPolarHBondContact O-CB 3.33Å; I207-I211 VanDerWaalsContact O-CG1 3.26Å; I207-I211 WeakPolarHBondContact O-CG1 3.45Å; I207-I211 PolarHBondContact O-N 2.83Å; A208-I211 PolarHBondContact O-N 2.97Å; I211-C213 VanDerWaalsContact C-N 3.33Å; I211-C213 PolarHBondContact O-N 2.96Å; I211-Y214 PolarHBondContact O-N 3.29Å; I211-E215 HydrophobicContact CG2-CG 4.16Å; I211-E215 WeakPolarHBondContact O-CB 3.47Å; I211-E215 VanDerWaalsContact O-CG 3.32Å; I211-E215 WeakPolarHBondContact O-CG 3.46Å; I211-E215 PolarHBondContact O-N 2.89Å
212E95.3Very high94.7Very high132 Ų13258.6 Ų58.662%0.61732%0.319SS*.Hα-helixtrans-58.6-43.6179.3-178179.9-172.800112A208 E215 S216A208-E212 WeakPolarHBondContact O-CB 3.31Å; A208-E212 PolarHBondContact O-N 3.29Å; E212-E215 PolarHBondContact O-N 2.99Å; E212-S216 WeakPolarHBondContact O-CB 3.25Å; E212-S216 PolarHBondContact O-N 3.22Å; E212-S216 PolarHBondContact O-OG 2.8Å
213C95.1Very high94.4Very high24 Ų2460.2 Ų60.216%0.16233%0.327CS..Hα-helixtrans-58.4-50.9177-176.30000111.3R209 H210 I211 S216 G217 N218 M220R209-C213 VanDerWaalsContact O-CB 3.31Å; R209-C213 WeakPolarHBondContact O-CB 3.46Å; R209-C213 PolarHBondContact O-N 3.21Å; H210-C213 PolarHBondContact O-N 3.2Å; I211-C213 VanDerWaalsContact C-N 3.33Å; I211-C213 PolarHBondContact O-N 2.96Å; C213-S216 PolarHBondContact O-N 3.05Å; C213-G217 PolarHBondContact O-N 2.79Å; C213-N218 WeakPolarHBondContact O-CB 3.49Å; C213-N218 PolarHBondContact O-N 3.41Å; C213-N218 WeakPolarHBondContact SG-CB 3.29Å; C213-M220 HydrophobicContact CB-CG 4.3Å; C213-M220 HydrophobicContact CB-SD 3.55Å; C213-M220 VanDerWaalsContact CB-SD 3.55Å; C213-M220 PolarHBondContact SG-SD 3.46Å
214Y94.3Very high94.2Very high37 Ų3761.6 Ų61.615%0.14534%0.335CS..Hα-helixtrans-70-36-179.7-68.2-55.5000113.4W7 V176 R185 H210 I211 S216 G217 M220W7-Y214 AromaticContact CH2-CD2 3.76Å; W7-Y214 HydrophobicContact CH2-CD2 3.76Å; W7-Y214 AromaticContact CH2-CG 3.84Å; W7-Y214 HydrophobicContact CH2-CG 3.84Å; W7-Y214 AromaticContact CZ3-CD2 3.86Å; W7-Y214 HydrophobicContact CZ3-CD2 3.86Å; W7-Y214 HydrophobicContact CZ3-CG 4.37Å; V176-Y214 HydrophobicContact CG2-CD2 3.82Å; V176-Y214 HydrophobicContact CG2-CE2 3.73Å; R185-Y214 HydrophobicContact CB-CE2 4.49Å; R185-Y214 WeakPolarHBondContact CB-OH 3.36Å; H210-Y214 HydrophobicContact CB-CE2 4.35Å; H210-Y214 WeakPolarHBondContact O-CD2 3.35Å; H210-Y214 PolarHBondContact O-N 2.66Å; I211-Y214 PolarHBondContact O-N 3.29Å; Y214-S216 PolarHBondContact O-N 2.83Å; Y214-G217 PolarHBondContact O-N 3.4Å; Y214-G217 VanDerWaalsContact O-N 3.07Å; Y214-M220 HydrophobicContact CD1-CG 4.49Å; Y214-M220 HydrophobicContact CE1-CB 4.21Å; Y214-M220 HydrophobicContact CE1-CG 3.83Å; Y214-M220 HydrophobicContact CE2-CG 3.89Å; Y214-M220 VanDerWaalsContact CZ-CG 3.47Å; Y214-M220 WeakPolarHBondContact OH-CB 3.36Å; Y214-M220 WeakPolarHBondContact OH-CG 3.45Å
215E93.9Very high94.1Very high123 Ų12359.7 Ų59.758%0.57532%0.323SS*.Hα-helixtrans-67.6-27.2175.9-72.7-174.416600112.1W7 I211 E212 G217W7-E215 HydrophobicContact CZ2-CG 3.94Å; W7-E215 PolarHBondContact NE1-OE1 2.85Å; I211-E215 HydrophobicContact CG2-CG 4.16Å; I211-E215 WeakPolarHBondContact O-CB 3.47Å; I211-E215 VanDerWaalsContact O-CG 3.32Å; I211-E215 WeakPolarHBondContact O-CG 3.46Å; I211-E215 PolarHBondContact O-N 2.89Å; E212-E215 PolarHBondContact O-N 2.99Å; E215-G217 PolarHBondContact O-N 2.88Å
216S95.1Very high93.9Very high76 Ų7658.7 Ų58.753%0.53132%0.323SS..THydrogen-bonded Turntrans-78.70.5171.5-56.30000113.6E212 C213 Y214 N218E212-S216 WeakPolarHBondContact O-CB 3.25Å; E212-S216 PolarHBondContact O-N 3.22Å; E212-S216 PolarHBondContact O-OG 2.8Å; C213-S216 PolarHBondContact O-N 3.05Å; Y214-S216 PolarHBondContact O-N 2.83Å; S216-N218 VanDerWaalsContact C-N 3.28Å; S216-N218 PolarHBondContact O-N 2.86Å
217G93.4Very high93.8Very high56 Ų5660 Ų6058%0.57733%0.329SS*.THydrogen-bonded Turntrans75.213.7-177.600000114.5C213 Y214 E215C213-G217 PolarHBondContact O-N 2.79Å; Y214-G217 PolarHBondContact O-N 3.4Å; Y214-G217 VanDerWaalsContact O-N 3.07Å; E215-G217 PolarHBondContact O-N 2.88Å
218N93.4Very high93.6Very high95 Ų9561.3 Ų61.351%0.50834%0.336SS..  trans-87.8165.2177.9-65.2-46.5000111.6C213 S216C213-N218 WeakPolarHBondContact O-CB 3.49Å; C213-N218 PolarHBondContact O-N 3.41Å; C213-N218 WeakPolarHBondContact SG-CB 3.29Å; S216-N218 VanDerWaalsContact C-N 3.28Å; S216-N218 PolarHBondContact O-N 2.86Å
219F89.3Confident93.2Very high189 Ų18964.8 Ų64.883%0.82934%0.341SS*.  trans-106139.7176.2-61.3-83.4000110.9
220M91Very high93Very high14 Ų1470.7 Ų70.77%0.06937%0.368CS..PPolyproline II helixtrans-85.6135.5174.5-71.7-63.7-6300111T186 H210 C213 Y214T186-M220 HydrophobicContact CG2-CB 4Å; T186-M220 WeakPolarHBondContact CG2-O 3.4Å; T186-M220 PolarHBondContact OG1-O 2.96Å; T186-M220 VanDerWaalsContact OG1-O 3.14Å; H210-M220 WeakPolarHBondContact CD2-CE 3.38Å; H210-M220 WeakPolarHBondContact NE2-CE 3.33Å; C213-M220 HydrophobicContact CB-CG 4.3Å; C213-M220 HydrophobicContact CB-SD 3.55Å; C213-M220 VanDerWaalsContact CB-SD 3.55Å; C213-M220 PolarHBondContact SG-SD 3.46Å; Y214-M220 HydrophobicContact CD1-CG 4.49Å; Y214-M220 HydrophobicContact CE1-CB 4.21Å; Y214-M220 HydrophobicContact CE1-CG 3.83Å; Y214-M220 HydrophobicContact CE2-CG 3.89Å; Y214-M220 VanDerWaalsContact CZ-CG 3.47Å; Y214-M220 WeakPolarHBondContact OH-CB 3.36Å; Y214-M220 WeakPolarHBondContact OH-CG 3.45Å
221T90Very high92.8Very high98 Ų9873.4 Ų73.460%0.60139%0.387SS*.PPolyproline II helixtrans-92.7144.6169.149.90000110.7T186 E223T186-T221 VanDerWaalsContact CG2-C 3.41Å; T221-E223 PolarHBondContact O-N 2.88Å
222N91.2Very high92.6Very high107 Ų10772.8 Ų72.857%0.57239%0.388SS*.PPolyproline II helixtrans-71.9119.7172-172.4-24000108.1T186 R187T186-N222 HydrophobicContact CG2-CB 4.09Å; R187-N222 PolarHBondContact O-OD1 3.17Å
223E91.3Very high92.6Very high35 Ų3571.3 Ų71.316%0.16438%0.381CS..EExtended strand (participates in β ladder)trans-144.4150-173.359.1178.6163.600111.2T188 E189 R209 T221 R225T188-E223 HydrophobicContact CG2-CG 4.2Å; E189-E223 PolarHBondContact N-O 3.3Å; R209-E223 IonicContact CZ-OE1 3.22Å; R209-E223 VanDerWaalsContact CZ-OE1 3.22Å; R209-E223 IonicContact NH1-OE1 3.09Å; R209-E223 PolarHBondContact NH1-OE1 2.93Å; R209-E223 VanDerWaalsContact NH1-OE1 3.09Å; R209-E223 IonicContact NH2-OE1 3.59Å; R209-E223 PolarHBondContact NH2-OE1 3.42Å; T221-E223 PolarHBondContact O-N 2.88Å; E223-R225 VanDerWaalsContact CD-NH1 3.29Å; E223-R225 HydrophobicContact CG-CG 3.94Å; E223-R225 IonicContact OE1-CZ 3.91Å; E223-R225 IonicContact OE1-NH1 3.07Å; E223-R225 PolarHBondContact OE1-NH1 2.95Å; E223-R225 VanDerWaalsContact OE1-NH1 3.07Å; E223-R225 IonicContact OE2-NH1 3.98Å; E223-R225 PolarHBondContact OE2-NH1 2.84Å
224T92.7Very high92.6Very high28 Ų2870.2 Ų70.217%0.17237%0.374CS..EExtended strand (participates in β ladder)trans-96.8127167.3-56.60000108.5E189 K191 M237E189-T224 CarbonylContact O-C 3.54Å; E189-T224 WeakPolarHBondContact O-CA 3.44Å; E189-T224 PolarHBondContact OE2-OG1 2.75Å; K191-T224 HydrophobicContact CD-CG2 3.69Å; K191-T224 HydrophobicContact CG-CG2 3.72Å; T224-M237 HydrophobicContact CG2-SD 3.88Å; T224-M237 PolarHBondContact O-N 2.96Å; T224-M237 VanDerWaalsContact O-N 3.07Å
225R95.1Very high92.6Very high23 Ų2371 Ų719%0.08738%0.383CS..EExtended strand (participates in β ladder)trans-121160.3-178.9-59.3179.575.288.1-3.8110.4T188 E189 V190 K191 E206 E223 T234 V235T188-R225 HydrophobicContact CG2-CB 4.35Å; T188-R225 VanDerWaalsContact CG2-CD 3.44Å; T188-R225 HydrophobicContact CG2-CG 3.83Å; E189-R225 PolarHBondContact O-N 2.78Å; V190-R225 WeakPolarHBondContact CA-O 3.44Å; K191-R225 PolarHBondContact N-O 3.19Å; E206-R225 WeakPolarHBondContact OE1-CD 3.27Å; E206-R225 IonicContact OE1-NE 2.88Å; E206-R225 PolarHBondContact OE1-NE 3.43Å; E206-R225 VanDerWaalsContact OE1-NE 3.08Å; E223-R225 VanDerWaalsContact CD-NH1 3.29Å; E223-R225 HydrophobicContact CG-CG 3.94Å; E223-R225 IonicContact OE1-CZ 3.91Å; E223-R225 IonicContact OE1-NH1 3.07Å; E223-R225 PolarHBondContact OE1-NH1 2.95Å; E223-R225 VanDerWaalsContact OE1-NH1 3.07Å; E223-R225 IonicContact OE2-NH1 3.98Å; E223-R225 PolarHBondContact OE2-NH1 2.84Å; R225-T234 PolarHBondContact NE-OG1 3.42Å; R225-T234 PolarHBondContact NH2-O 3.44Å; R225-V235 CarbonylContact C-O 3.49Å; R225-V235 VanDerWaalsContact CA-O 3.28Å; R225-V235 WeakPolarHBondContact CA-O 3.44Å; R225-V235 WeakPolarHBondContact CB-O 3.4Å
226S93.9Very high92.5Very high35 Ų3569 Ų6925%0.24538%0.38CS..EExtended strand (participates in β ladder)trans-115.1157.1169.664.50000109.5T234 V235S226-T234 CarbonylContact O-C 3.57Å; S226-T234 WeakPolarHBondContact O-CA 3.49Å; S226-V235 PolarHBondContact N-O 3.43Å; S226-V235 PolarHBondContact O-N 3.25Å; S226-V235 VanDerWaalsContact OG-CG2 3.27Å; S226-V235 WeakPolarHBondContact OG-CG2 2.95Å
227F94.5Very high92Very high28 Ų2868.9 Ų68.912%0.12337%0.372CS..EExtended strand (participates in β ladder)trans-94.8119.3176-178.9-107.5000110.5V190 L193 F198 K201 A202 F229 G232 T234V190-F227 HydrophobicContact CG1-CB 4.35Å; L193-F227 HydrophobicContact CD2-CB 3.8Å; L193-F227 HydrophobicContact CD2-CG 4.34Å; F198-F227 HydrophobicContact CB-CD1 3.77Å; F198-F227 HydrophobicContact CB-CE1 3.74Å; F198-F227 HydrophobicContact CD1-CD1 4.29Å; F198-F227 AromaticContact CD1-CE1 3.57Å; F198-F227 HydrophobicContact CD1-CE1 3.57Å; F198-F227 HydrophobicContact CD1-CZ 4.47Å; F198-F227 HydrophobicContact CD2-CD1 4.49Å; F198-F227 HydrophobicContact CE1-CE1 4.31Å; F198-F227 AromaticContact CG-CD1 3.96Å; F198-F227 HydrophobicContact CG-CD1 3.96Å; F198-F227 AromaticContact CG-CE1 3.71Å; F198-F227 HydrophobicContact CG-CE1 3.71Å; K201-F227 HydrophobicContact CB-CE2 3.97Å; K201-F227 HydrophobicContact CB-CZ 3.69Å; K201-F227 HydrophobicContact CD-CZ 4.21Å; A202-F227 HydrophobicContact CB-CB 4.13Å; A202-F227 HydrophobicContact CB-CD2 3.45Å; A202-F227 VanDerWaalsContact CB-CD2 3.45Å; A202-F227 HydrophobicContact CB-CE2 4.01Å; A202-F227 HydrophobicContact CB-CG 3.88Å; F227-F229 HydrophobicContact CE1-CB 4.19Å; F227-G232 WeakPolarHBondContact CE2-O 3.44Å; F227-T234 HydrophobicContact CD2-CG2 4.28Å
228D93.2Very high90.8Very high52 Ų5277 Ų7728%0.27839%0.385SS..EExtended strand (participates in β ladder)trans-86.9109.9170.3174.217.5000109.5K230 S231 G232 E233 V235D228-K230 PolarHBondContact O-N 3.15Å; D228-K230 WeakPolarHBondContact OD1-CB 3.19Å; D228-K230 PolarHBondContact OD1-N 3.07Å; D228-S231 WeakPolarHBondContact CB-OG 3.45Å; D228-S231 VanDerWaalsContact CG-OG 3.24Å; D228-S231 PolarHBondContact O-OG 3.09Å; D228-S231 WeakPolarHBondContact OD2-CB 3.41Å; D228-S231 PolarHBondContact OD2-N 3.26Å; D228-S231 PolarHBondContact OD2-OG 3.25Å; D228-G232 WeakPolarHBondContact O-CA 3.37Å; D228-G232 PolarHBondContact O-N 2.96Å; D228-E233 PolarHBondContact N-O 3.06Å; D228-V235 HydrophobicContact CB-CG1 4.45Å
229F88.2Confident88.8Confident130 Ų13079.6 Ų79.657%0.5740%0.399SS*.THydrogen-bonded Turntrans-68.7-20.3-178.469.4-90.5000113.6F198 F227F198-F229 HydrophobicContact CE1-CB 3.94Å; F198-F229 HydrophobicContact CE2-CB 4.16Å; F198-F229 HydrophobicContact CZ-CB 3.71Å; F198-F229 HydrophobicContact CZ-CG 4.44Å; F227-F229 HydrophobicContact CE1-CB 4.19Å
230K90.4Very high86.8Confident172 Ų17276.2 Ų76.275%0.74838%0.384SS*.THydrogen-bonded Turntrans-76.7-51.8-179.6-65.9-178.3-179.5175.70110.7D228D228-K230 PolarHBondContact O-N 3.15Å; D228-K230 WeakPolarHBondContact OD1-CB 3.19Å; D228-K230 PolarHBondContact OD1-N 3.07Å
231S92.5Very high84.4Confident58 Ų5883.5 Ų83.541%0.40642%0.418SS..THydrogen-bonded Turntrans-74.2-30.8175.4600000112D228 E233D228-S231 WeakPolarHBondContact CB-OG 3.45Å; D228-S231 VanDerWaalsContact CG-OG 3.24Å; D228-S231 PolarHBondContact O-OG 3.09Å; D228-S231 WeakPolarHBondContact OD2-CB 3.41Å; D228-S231 PolarHBondContact OD2-N 3.26Å; D228-S231 PolarHBondContact OD2-OG 3.25Å; S231-E233 PolarHBondContact OG-N 3.48Å
232G91.3Very high82.1Confident17 Ų1786.4 Ų86.418%0.17543%0.43CS..THydrogen-bonded Turntrans77.712.9-169.100000112.9F227 D228F227-G232 WeakPolarHBondContact CE2-O 3.44Å; D228-G232 WeakPolarHBondContact O-CA 3.37Å; D228-G232 PolarHBondContact O-N 2.96Å
233E95Very high79.9Confident100 Ų10085.9 Ų85.947%0.46743%0.43SS..EExtended strand (participates in β ladder)trans-105162.6179.8-55.2-174.8166.100110.4F205 D228 S231F205-E233 HydrophobicContact CD2-CB 4.41Å; F205-E233 HydrophobicContact CD2-CG 4.32Å; F205-E233 HydrophobicContact CE1-CB 4.11Å; F205-E233 HydrophobicContact CE2-CB 3.78Å; F205-E233 HydrophobicContact CE2-CG 3.57Å; F205-E233 HydrophobicContact CZ-CB 3.6Å; F205-E233 HydrophobicContact CZ-CG 3.82Å; D228-E233 PolarHBondContact N-O 3.06Å; S231-E233 PolarHBondContact OG-N 3.48Å
234T95.5Very high77.7Confident2 Ų289.2 Ų89.21%0.01246%0.455CS..EExtended strand (participates in β ladder)trans-91.414616459.30000109.6V190 A202 F205 E206 R225 S226 F227V190-T234 HydrophobicContact CG1-CG2 4.08Å; V190-T234 HydrophobicContact CG2-CG2 4.16Å; A202-T234 HydrophobicContact CB-CG2 4.36Å; F205-T234 HydrophobicContact CD1-CG2 3.97Å; F205-T234 VanDerWaalsContact CD1-OG1 3.29Å; F205-T234 WeakPolarHBondContact CD1-OG1 3.25Å; F205-T234 WeakPolarHBondContact CE1-OG1 3.35Å; E206-T234 HydrophobicContact CG-CG2 3.94Å; E206-T234 WeakPolarHBondContact OE1-CB 3.25Å; E206-T234 WeakPolarHBondContact OE1-CG2 3.27Å; E206-T234 PolarHBondContact OE1-OG1 3.31Å; R225-T234 PolarHBondContact NE-OG1 3.42Å; R225-T234 PolarHBondContact NH2-O 3.44Å; S226-T234 CarbonylContact O-C 3.57Å; S226-T234 WeakPolarHBondContact O-CA 3.49Å; F227-T234 HydrophobicContact CD2-CG2 4.28Å
235V93.6Very high75.6Confident54 Ų5497.3 Ų97.333%0.32749%0.488SS..EExtended strand (participates in β ladder)trans-124.5140.8177.1-63.60000110R225 S226 D228 M237R225-V235 CarbonylContact C-O 3.49Å; R225-V235 VanDerWaalsContact CA-O 3.28Å; R225-V235 WeakPolarHBondContact CA-O 3.44Å; R225-V235 WeakPolarHBondContact CB-O 3.4Å; S226-V235 PolarHBondContact N-O 3.43Å; S226-V235 PolarHBondContact O-N 3.25Å; S226-V235 VanDerWaalsContact OG-CG2 3.27Å; S226-V235 WeakPolarHBondContact OG-CG2 2.95Å; D228-V235 HydrophobicContact CB-CG1 4.45Å; V235-M237 PolarHBondContact O-N 3.37Å
236P92.2Very high73.4Confident80 Ų80103.7 Ų103.752%0.51952%0.523SS..EExtended strand (participates in β ladder)trans-54.7132.7173.4-14.424.3000109.8
237M83.7Confident71.4Confident74 Ų74111.3 Ų111.337%0.36555%0.546SS..  trans-75.8144.6164.5-65.5-177.365.300107.6K191 T224 V235 D239K191-M237 HydrophobicContact CB-SD 4.37Å; T224-M237 HydrophobicContact CG2-SD 3.88Å; T224-M237 PolarHBondContact O-N 2.96Å; T224-M237 VanDerWaalsContact O-N 3.07Å; V235-M237 PolarHBondContact O-N 3.37Å; M237-D239 PolarHBondContact O-N 3.48Å
238R68.7Low69.3Low227 Ų227112.5 Ų112.586%0.85756%0.558SS**  trans-43.6133.8175.4-177.1179.5-176.4174.70.1109.6K240R238-K240 PolarHBondContact O-N 2.9Å; R238-K240 VanDerWaalsContact O-N 3.14Å
239D52.3Low67.4Low148 Ų148118.3 Ų118.379%0.79158%0.577SS**  trans-46123.4-178.7-71.5-39.1000109.8M237 E241M237-D239 PolarHBondContact O-N 3.48Å; D239-E241 VanDerWaalsContact C-N 3.26Å; D239-E241 PolarHBondContact O-N 2.85Å
240K47Very low65.5Low118 Ų118118.7 Ų118.751%0.51358%0.576SS.*  trans-65.198.1163.6-72.2176.4-178.5166.10105R238 D242 V243R238-K240 PolarHBondContact O-N 2.9Å; R238-K240 VanDerWaalsContact O-N 3.14Å; K240-D242 PolarHBondContact O-N 2.96Å; K240-D242 VanDerWaalsContact O-N 3.1Å; K240-V243 HydrophobicContact CB-CG2 3.83Å; K240-V243 HydrophobicContact CD-CG2 3.84Å; K240-V243 HydrophobicContact CG-CG2 4.5Å
241E40.5Very low63.7Low168 Ų168112.9 Ų112.979%0.78556%0.559SS**THydrogen-bonded Turntrans-39.8121.2162.8-73.4179.117200107.3D239 V243D239-E241 VanDerWaalsContact C-N 3.26Å; D239-E241 PolarHBondContact O-N 2.85Å; E241-V243 PolarHBondContact O-N 3.07Å
242D41.4Very low61.4Low158 Ų158119.4 Ų119.485%0.84558%0.577SS**THydrogen-bonded Turntrans6.693.5-173-81.6-35.8000113.7K240 P244K240-D242 PolarHBondContact O-N 2.96Å; K240-D242 VanDerWaalsContact O-N 3.1Å; D242-P244 WeakPolarHBondContact O-CD 3.44Å
243V45.2Very low59.1Low97 Ų97121.8 Ų121.859%0.58859%0.59SS**  trans-43.8107.6-179.2-1760000108.4K240 E241 K245K240-V243 HydrophobicContact CB-CG2 3.83Å; K240-V243 HydrophobicContact CD-CG2 3.84Å; K240-V243 HydrophobicContact CG-CG2 4.5Å; E241-V243 PolarHBondContact O-N 3.07Å; V243-K245 PolarHBondContact O-N 3.4Å
244P45.4Very low57Low104 Ų104120.9 Ų120.968%0.67559%0.591SS**  trans-60.6121.8-176.2-23.633.1000106.3D242 L246D242-P244 WeakPolarHBondContact O-CD 3.44Å; P244-L246 PolarHBondContact O-N 3.4Å
245K48.2Very low54.5Low199 Ų199126.5 Ų126.587%0.86562%0.621SS**  trans-50111.9177.8-86.5-176176.31790107.8V243 R247V243-K245 PolarHBondContact O-N 3.4Å; K245-R247 PolarHBondContact O-N 3.07Å
246L49Very low52.3Low157 Ų157131.8 Ų131.882%0.82265%0.647SS**  trans-56.4118.7173.7-113.292.1000107P244 S248P244-L246 PolarHBondContact O-N 3.4Å; L246-S248 PolarHBondContact O-N 2.88Å
247R52.1Low50.4Low195 Ų195133.2 Ų133.274%0.73666%0.658SS**  trans-87.5103.9171.7-70.3-172.4-178-178.9-0.5107.4K245 Y249K245-R247 PolarHBondContact O-N 3.07Å; R247-Y249 HydrophobicContact CB-CD2 4.14Å; R247-Y249 HydrophobicContact CB-CE2 3.43Å; R247-Y249 VanDerWaalsContact CB-CE2 3.43Å; R247-Y249 WeakPolarHBondContact CD-OH 3.37Å; R247-Y249 VanDerWaalsContact O-CD2 3.27Å; R247-Y249 WeakPolarHBondContact O-CD2 3.38Å; R247-Y249 PolarHBondContact O-N 3.33Å
248S49.6Very low49.2Very low53 Ų53132.6 Ų132.637%0.37167%0.67SS.*  trans-75116.8172.6-53.20000108.9L246L246-S248 PolarHBondContact O-N 2.88Å
249Y53.9Low49.1Very low174 Ų174126.5 Ų126.568%0.68265%0.654SS**  trans-106134.8171.2-67.4-84.2000108.5R247 A251R247-Y249 HydrophobicContact CB-CD2 4.14Å; R247-Y249 HydrophobicContact CB-CE2 3.43Å; R247-Y249 VanDerWaalsContact CB-CE2 3.43Å; R247-Y249 WeakPolarHBondContact CD-OH 3.37Å; R247-Y249 VanDerWaalsContact O-CD2 3.27Å; R247-Y249 WeakPolarHBondContact O-CD2 3.38Å; R247-Y249 PolarHBondContact O-N 3.33Å; Y249-A251 PolarHBondContact O-N 3.36Å; Y249-A251 VanDerWaalsContact O-N 3.1Å
250Y48.7Very low50.4Low138 Ų138124 Ų12454%0.54164%0.641SS.*  trans-66.1109.8168-110-90.1000107.9Y66 H67 Y252Y66-Y250 HydrophobicContact CD2-CD2 4Å; Y66-Y250 AromaticContact CD2-CE2 3.28Å; Y66-Y250 HydrophobicContact CD2-CE2 3.28Å; Y66-Y250 AromaticContact CD2-CZ 3.94Å; Y66-Y250 AromaticContact CE2-CD2 3.99Å; Y66-Y250 HydrophobicContact CE2-CD2 3.99Å; Y66-Y250 AromaticContact CE2-CE2 3.66Å; Y66-Y250 HydrophobicContact CE2-CE2 3.66Å; Y66-Y250 HydrophobicContact CG-CE2 4.12Å; H67-Y250 PolarHBondContact CE1-OH 2.91Å; H67-Y250 PolarHBondContact ND1-OH 3.08Å; Y250-Y252 PolarHBondContact O-N 3.46Å
251A53Low51.7Low49 Ų49123 Ų12341%0.40565%0.647SS.*  trans-83.5107.3164.100000107F54 Y249 C253F54-A251 HydrophobicContact CE1-CB 3.9Å; F54-A251 HydrophobicContact CZ-CB 3.82Å; Y249-A251 PolarHBondContact O-N 3.36Å; Y249-A251 VanDerWaalsContact O-N 3.1Å; A251-C253 PolarHBondContact O-N 2.99Å
252Y43.1Very low53.4Low196 Ų196122.2 Ų122.277%0.76964%0.643SS**THydrogen-bonded Turntrans-62.22.9175.4-87.5-85.9000114.1Y250Y250-Y252 PolarHBondContact O-N 3.46Å
253C44.4Very low55.3Low66 Ų66115.6 Ų115.645%0.44661%0.612SS.*THydrogen-bonded Turntrans-113.23.6-160.1-30.60000114.8F54 A251F54-C253 HydrophobicContact CD1-CB 4.38Å; F54-C253 HydrophobicContact CE1-CB 3.41Å; F54-C253 VanDerWaalsContact CE1-CB 3.41Å; F54-C253 WeakPolarHBondContact CE1-SG 3.4Å; F54-C253 HydrophobicContact CE2-CB 4.39Å; F54-C253 HydrophobicContact CZ-CB 3.4Å; A251-C253 PolarHBondContact O-N 2.99Å
254V49.9Very low56.9Low82 Ų82113 Ų11350%0.49760%0.598SS.*SBendtrans-95.292.4144.9-165.30000101.8F26 D256F26-V254 HydrophobicContact CE1-CG2 3.88Å; F26-V254 HydrophobicContact CZ-CG2 3.97Å; V254-D256 PolarHBondContact O-N 3.28Å
255D43.3Very low58.2Low120 Ų120110 Ų11064%0.64258%0.582SS**  trans-44.6142.9170-79.1-43.6000107.1C257D255-C257 PolarHBondContact O-N 3.39Å
256D47.8Very low59.8Low164 Ų164106.3 Ų106.388%0.87757%0.567SS**  trans-62.263.2161.9-85.8-33.6000107.7V254 G258V254-D256 PolarHBondContact O-N 3.28Å; D256-G258 PolarHBondContact O-N 2.81Å
257C51.6Low61.3Low110 Ų110103.1 Ų103.174%0.74355%0.55SS**  trans-61.679.4153.5-62.40000103.4D255 L259D255-C257 PolarHBondContact O-N 3.39Å; C257-L259 PolarHBondContact O-N 3.04Å
258G59.1Low62.6Low61 Ų6199.1 Ų99.163%0.62954%0.543SS*.  trans-45.4138.7172.800000107D256 D260D256-G258 PolarHBondContact O-N 2.81Å; G258-D260 PolarHBondContact O-N 2.74Å
259L66.9Low63.9Low99 Ų99102.8 Ų102.852%0.51856%0.558SS.*  trans-48.5130176.4-67.5171.3000108.8I69 C257 P261I69-L259 HydrophobicContact CD1-CD1 4.32Å; I69-L259 HydrophobicContact CD1-CD2 3.7Å; I69-L259 HydrophobicContact CD1-CG 4.44Å; I69-L259 HydrophobicContact CG1-CD1 3.8Å; I69-L259 HydrophobicContact CG1-CD2 4.1Å; I69-L259 HydrophobicContact CG1-CG 4.3Å; C257-L259 PolarHBondContact O-N 3.04Å; L259-P261 WeakPolarHBondContact O-CD 3.37Å
260D78Confident65.5Low96 Ų9697.8 Ų97.851%0.51354%0.543SS..  trans-56.9110.517517119000108.3G258 H262 G263 C264G258-D260 PolarHBondContact O-N 2.74Å; D260-H262 PolarHBondContact O-N 2.86Å; D260-H262 WeakPolarHBondContact OD1-CB 3.27Å; D260-H262 PolarHBondContact OD1-N 2.92Å; D260-G263 VanDerWaalsContact CG-N 3.33Å; D260-G263 PolarHBondContact O-N 2.8Å; D260-G263 PolarHBondContact OD2-N 2.96Å; D260-C264 WeakPolarHBondContact O-CB 3.15Å; D260-C264 PolarHBondContact O-N 3.22Å; D260-C264 PolarHBondContact O-SG 3.36Å
261P73.9Confident67.1Low97 Ų9795 Ų9563%0.6354%0.537SS*.Hα-helixtrans-64-30.7-175.2-21.334.1000111.5L259 A265L259-P261 WeakPolarHBondContact O-CD 3.37Å; P261-A265 VanDerWaalsContact O-CB 3.3Å; P261-A265 WeakPolarHBondContact O-CB 3.49Å; P261-A265 PolarHBondContact O-N 2.87Å
262H78Confident68.5Low151 Ų15195 Ų9570%0.69953%0.53SS*.Hα-helixtrans-71.4-48.8178.4-70.8-73000111.2D260 C264 A265 E266D260-H262 PolarHBondContact O-N 2.86Å; D260-H262 WeakPolarHBondContact OD1-CB 3.27Å; D260-H262 PolarHBondContact OD1-N 2.92Å; H262-C264 VanDerWaalsContact C-N 3.3Å; H262-C264 PolarHBondContact O-N 3Å; H262-A265 PolarHBondContact O-N 3.14Å; H262-A265 VanDerWaalsContact O-N 3.15Å; H262-E266 PolarHBondContact O-N 3.23Å
263G80.4Confident70.4Confident19 Ų1988.8 Ų88.820%0.19651%0.514CS..Hα-helixtrans-57.3-42.5172.900000112.4D260 E266 I267D260-G263 VanDerWaalsContact CG-N 3.33Å; D260-G263 PolarHBondContact O-N 2.8Å; D260-G263 PolarHBondContact OD2-N 2.96Å; G263-E266 PolarHBondContact O-N 3.49Å; G263-I267 WeakPolarHBondContact O-CG1 3.21Å; G263-I267 PolarHBondContact O-N 2.83Å
264C78.2Confident72.4Confident44 Ų4493 Ų9330%0.29752%0.52SS..Hα-helixtrans-61.7-45.4174.5-68.10000111.9D260 H262 E266 I267 L268D260-C264 WeakPolarHBondContact O-CB 3.15Å; D260-C264 PolarHBondContact O-N 3.22Å; D260-C264 PolarHBondContact O-SG 3.36Å; H262-C264 VanDerWaalsContact C-N 3.3Å; H262-C264 PolarHBondContact O-N 3Å; C264-E266 VanDerWaalsContact C-N 3.34Å; C264-E266 PolarHBondContact O-N 2.96Å; C264-I267 PolarHBondContact O-N 2.93Å; C264-L268 WeakPolarHBondContact O-CB 3.33Å; C264-L268 VanDerWaalsContact O-CG 3.23Å; C264-L268 WeakPolarHBondContact O-CG 3.42Å; C264-L268 PolarHBondContact O-N 3.47Å
265A73.7Confident74.1Confident41 Ų4189.6 Ų89.634%0.33950%0.5SS..Hα-helixtrans-62.1-40.6177.400000112P261 H262 L268 L269P261-A265 VanDerWaalsContact O-CB 3.3Å; P261-A265 WeakPolarHBondContact O-CB 3.49Å; P261-A265 PolarHBondContact O-N 2.87Å; H262-A265 PolarHBondContact O-N 3.14Å; H262-A265 VanDerWaalsContact O-N 3.15Å; A265-L268 PolarHBondContact O-N 3.24Å; A265-L269 VanDerWaalsContact O-CB 3.31Å; A265-L269 WeakPolarHBondContact O-CB 3.41Å; A265-L269 VanDerWaalsContact O-CG 3.25Å; A265-L269 WeakPolarHBondContact O-CG 3.42Å; A265-L269 PolarHBondContact O-N 2.84Å
266E80.5Confident76.1Confident121 Ų12186.6 Ų86.657%0.56548%0.484SS*.Hα-helixtrans-63.4-46.2177.6-171175.8-171.100111.8H262 G263 C264 L268 L269 N270H262-E266 PolarHBondContact O-N 3.23Å; G263-E266 PolarHBondContact O-N 3.49Å; C264-E266 VanDerWaalsContact C-N 3.34Å; C264-E266 PolarHBondContact O-N 2.96Å; E266-L268 VanDerWaalsContact C-N 3.31Å; E266-L268 PolarHBondContact O-N 2.87Å; E266-L269 PolarHBondContact O-N 3.36Å; E266-N270 WeakPolarHBondContact O-CB 3.49Å; E266-N270 PolarHBondContact O-N 2.79Å
267I81Confident78Confident90 Ų9085.1 Ų85.146%0.46247%0.47SS..Iπ-helixtrans-58.8-45175.6-69.1166.9000110.5G263 C264 D271 L272G263-I267 WeakPolarHBondContact O-CG1 3.21Å; G263-I267 PolarHBondContact O-N 2.83Å; C264-I267 PolarHBondContact O-N 2.93Å; I267-D271 PolarHBondContact O-N 3.29Å; I267-D271 VanDerWaalsContact O-N 3.13Å; I267-L272 WeakPolarHBondContact O-CB 3.31Å; I267-L272 PolarHBondContact O-N 3.23Å
268L78.9Confident79.6Confident110 Ų11087.8 Ų87.858%0.57646%0.464SS*.Iπ-helixtrans-67.8-39.8-178.9-71.5172.3000112.9C264 A265 E266 L272 P273C264-L268 WeakPolarHBondContact O-CB 3.33Å; C264-L268 VanDerWaalsContact O-CG 3.23Å; C264-L268 WeakPolarHBondContact O-CG 3.42Å; C264-L268 PolarHBondContact O-N 3.47Å; A265-L268 PolarHBondContact O-N 3.24Å; E266-L268 VanDerWaalsContact C-N 3.31Å; E266-L268 PolarHBondContact O-N 2.87Å; L268-L272 HydrophobicContact CD2-CD2 4Å; L268-P273 WeakPolarHBondContact O-CD 3.39Å
269L78.8Confident81.1Confident131 Ų13185.6 Ų85.669%0.68644%0.438SS*.Iπ-helixtrans-79.4-34.3-176.9-72170.4000112.8A265 E266A265-L269 VanDerWaalsContact O-CB 3.31Å; A265-L269 WeakPolarHBondContact O-CB 3.41Å; A265-L269 VanDerWaalsContact O-CG 3.25Å; A265-L269 WeakPolarHBondContact O-CG 3.42Å; A265-L269 PolarHBondContact O-N 2.84Å; E266-L269 PolarHBondContact O-N 3.36Å
270N85.6Confident82Confident69 Ų6989.4 Ų89.437%0.36945%0.445SS..Iπ-helixtrans-114.1-56.9-169.3-63.5-51.9000113E266 R274E266-N270 WeakPolarHBondContact O-CB 3.49Å; E266-N270 PolarHBondContact O-N 2.79Å; N270-R274 WeakPolarHBondContact O-CD 3.31Å; N270-R274 WeakPolarHBondContact O-CG 3.49Å; N270-R274 PolarHBondContact O-N 3.31Å
271D83.1Confident82.3Confident79 Ų7989.9 Ų89.942%0.42244%0.444SS..Iπ-helixtrans-79.7-41.5-166-67.2-22.4000112.3I267 R274 A275I267-D271 PolarHBondContact O-N 3.29Å; I267-D271 VanDerWaalsContact O-N 3.13Å; D271-R274 WeakPolarHBondContact O-CB 3.49Å; D271-R274 PolarHBondContact O-N 3.29Å; D271-A275 WeakPolarHBondContact O-CB 3.46Å; D271-A275 PolarHBondContact O-N 2.91Å
272L82.3Confident82.7Confident50 Ų5090.2 Ų90.226%0.26244%0.441SS..Hα-helixtrans-62.2-49179.1178.664.7000112.2I156 I267 L268 R274 A275 L276I156-L272 HydrophobicContact CD1-CD1 4.06Å; I156-L272 HydrophobicContact CG1-CD1 4.06Å; I267-L272 WeakPolarHBondContact O-CB 3.31Å; I267-L272 PolarHBondContact O-N 3.23Å; L268-L272 HydrophobicContact CD2-CD2 4Å; L272-R274 VanDerWaalsContact C-N 3.26Å; L272-R274 PolarHBondContact O-N 3.19Å; L272-A275 WeakPolarHBondContact O-CB 3.3Å; L272-A275 PolarHBondContact O-N 2.97Å; L272-L276 HydrophobicContact CD1-CD1 4.13Å; L272-L276 HydrophobicContact CD1-CD2 4.5Å; L272-L276 HydrophobicContact CD1-CG 4.04Å; L272-L276 HydrophobicContact CG-CD1 4.09Å; L272-L276 HydrophobicContact CG-CG 4.41Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 3.41Å
273P84.1Confident82.6Confident64 Ų6486.3 Ų86.342%0.41643%0.425SS..Hα-helixtrans-58.7-37.1175.1-26.836.1000113.1L268 K277L268-P273 WeakPolarHBondContact O-CD 3.39Å; P273-K277 VanDerWaalsContact O-CB 3.31Å; P273-K277 WeakPolarHBondContact O-CB 3.42Å; P273-K277 PolarHBondContact O-N 2.92Å
274R86.3Confident82.6Confident155 Ų15593 Ų9359%0.58545%0.448SS*.Hα-helixtrans-66.7-45.9176.6-72.7171.6-176.9177.11.7111.5N270 D271 L272 K277 R278N270-R274 WeakPolarHBondContact O-CD 3.31Å; N270-R274 WeakPolarHBondContact O-CG 3.49Å; N270-R274 PolarHBondContact O-N 3.31Å; D271-R274 WeakPolarHBondContact O-CB 3.49Å; D271-R274 PolarHBondContact O-N 3.29Å; L272-R274 VanDerWaalsContact C-N 3.26Å; L272-R274 PolarHBondContact O-N 3.19Å; R274-K277 PolarHBondContact O-N 3.1Å; R274-R278 WeakPolarHBondContact O-CG 3.48Å; R274-R278 PolarHBondContact O-N 2.94Å
275A85Confident82.6Confident10 Ų1098.4 Ų98.48%0.08346%0.462CS..Hα-helixtrans-57.9-49.2175.400000111.3A155 I156 D271 L272 K277 R278 K279A155-A275 WeakPolarHBondContact O-CB 3.29Å; I156-A275 HydrophobicContact CG1-CB 4.36Å; D271-A275 WeakPolarHBondContact O-CB 3.46Å; D271-A275 PolarHBondContact O-N 2.91Å; L272-A275 WeakPolarHBondContact O-CB 3.3Å; L272-A275 PolarHBondContact O-N 2.97Å; A275-K277 VanDerWaalsContact C-N 3.33Å; A275-K277 PolarHBondContact O-N 2.99Å; A275-R278 WeakPolarHBondContact O-CB 3.39Å; A275-R278 PolarHBondContact O-N 3.19Å; A275-K279 PolarHBondContact O-N 3.1Å
276L86Confident82.5Confident57 Ų57102.8 Ų102.830%0.29847%0.47SS..Hα-helixtrans-64-37.3178.4-67.3178.6000112.5L152 L272 K279 R280L152-L276 HydrophobicContact CD1-CD2 3.4Å; L272-L276 HydrophobicContact CD1-CD1 4.13Å; L272-L276 HydrophobicContact CD1-CD2 4.5Å; L272-L276 HydrophobicContact CD1-CG 4.04Å; L272-L276 HydrophobicContact CG-CD1 4.09Å; L272-L276 HydrophobicContact CG-CG 4.41Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 3.41Å; L276-K279 PolarHBondContact O-N 3.18Å; L276-R280 WeakPolarHBondContact O-CG 2.99Å; L276-R280 PolarHBondContact O-N 3.13Å
277K86.6Confident81.9Confident134 Ų134101.6 Ų101.658%0.58346%0.461SS*.Hα-helixtrans-62.8-44.9173.7-176178179.1-1800111.3P273 R274 A275 R280 Q281P273-K277 VanDerWaalsContact O-CB 3.31Å; P273-K277 WeakPolarHBondContact O-CB 3.42Å; P273-K277 PolarHBondContact O-N 2.92Å; R274-K277 PolarHBondContact O-N 3.1Å; A275-K277 VanDerWaalsContact C-N 3.33Å; A275-K277 PolarHBondContact O-N 2.99Å; K277-R280 PolarHBondContact O-N 2.88Å; K277-Q281 WeakPolarHBondContact O-CG 3.33Å; K277-Q281 PolarHBondContact O-N 2.84Å
278R85.8Confident81.6Confident165 Ų165101.1 Ų101.162%0.62347%0.466SS*.Hα-helixtrans-61-48176-72.7178.2-177.7-156.51.8111.3R274 A275 R280 Q281 D282R274-R278 WeakPolarHBondContact O-CG 3.48Å; R274-R278 PolarHBondContact O-N 2.94Å; A275-R278 WeakPolarHBondContact O-CB 3.39Å; A275-R278 PolarHBondContact O-N 3.19Å; R278-R280 VanDerWaalsContact C-N 3.29Å; R278-R280 PolarHBondContact O-N 3.23Å; R278-Q281 CarbonylContact O-C 3.09Å; R278-Q281 WeakPolarHBondContact O-CA 3.46Å; R278-Q281 WeakPolarHBondContact O-CB 3.32Å; R278-Q281 PolarHBondContact O-N 3.01Å; R278-D282 PolarHBondContact O-N 3.4Å
279K89.1Confident81.3Confident16 Ų16101.6 Ų101.67%0.0747%0.465CS..Hα-helixtrans-50.6-48.4174-175.6-175.4167.2175.60112.3E148 A151 A155 A275 L276 Q281 D282 L283E148-K279 PolarHBondContact O-NZ 3.13Å; E148-K279 IonicContact OE1-NZ 2.67Å; E148-K279 PolarHBondContact OE1-NZ 3.21Å; E148-K279 IonicContact OE2-NZ 2.62Å; E148-K279 PolarHBondContact OE2-NZ 3.34Å; A151-K279 HydrophobicContact CB-CD 4.42Å; A155-K279 HydrophobicContact CB-CB 3.72Å; A155-K279 HydrophobicContact CB-CD 4.43Å; A155-K279 HydrophobicContact CB-CG 4.28Å; A275-K279 PolarHBondContact O-N 3.1Å; L276-K279 PolarHBondContact O-N 3.18Å; K279-Q281 VanDerWaalsContact C-N 3.31Å; K279-Q281 PolarHBondContact O-N 3.03Å; K279-D282 PolarHBondContact O-N 3.18Å; K279-L283 HydrophobicContact CG-CD1 4.21Å; K279-L283 WeakPolarHBondContact O-CB 3.21Å; K279-L283 WeakPolarHBondContact O-CG 3.2Å; K279-L283 PolarHBondContact O-N 3.31Å
280R85.9Confident80.5Confident179 Ų179102 Ų10268%0.67546%0.462SS*.Hα-helixtrans-62.8-37.4178.4-70.6177.5-168.4-151.23.1112.1L276 K277 R278 K284L276-R280 WeakPolarHBondContact O-CG 2.99Å; L276-R280 PolarHBondContact O-N 3.13Å; K277-R280 PolarHBondContact O-N 2.88Å; R278-R280 VanDerWaalsContact C-N 3.29Å; R278-R280 PolarHBondContact O-N 3.23Å; R280-K284 WeakPolarHBondContact O-CG 3.47Å; R280-K284 PolarHBondContact O-N 3.46Å; R280-K284 VanDerWaalsContact O-N 3.14Å
281Q85.1Confident78.6Confident106 Ų106103 Ų10350%0.49547%0.474SS..Hα-helixtrans-68.8-44.6176.9-70.9172.3-28.400111.6K277 R278 K279 L283 K284 R285K277-Q281 WeakPolarHBondContact O-CG 3.33Å; K277-Q281 PolarHBondContact O-N 2.84Å; R278-Q281 CarbonylContact O-C 3.09Å; R278-Q281 WeakPolarHBondContact O-CA 3.46Å; R278-Q281 WeakPolarHBondContact O-CB 3.32Å; R278-Q281 PolarHBondContact O-N 3.01Å; K279-Q281 VanDerWaalsContact C-N 3.31Å; K279-Q281 PolarHBondContact O-N 3.03Å; Q281-L283 PolarHBondContact O-N 3.13Å; Q281-K284 PolarHBondContact O-N 3.45Å; Q281-R285 WeakPolarHBondContact O-CB 3.32Å; Q281-R285 PolarHBondContact O-N 3.39Å
282D81.6Confident76.4Confident103 Ų103106.2 Ų106.255%0.55149%0.491SS*.Hα-helixtrans-63.6-41.8178.8-66.4-24.7000111.5R278 K279 R285 W286R278-D282 PolarHBondContact O-N 3.4Å; K279-D282 PolarHBondContact O-N 3.18Å; D282-R285 PolarHBondContact O-N 2.62Å; D282-W286 WeakPolarHBondContact O-CB 3.23Å; D282-W286 PolarHBondContact O-N 3.22Å
283L76.9Confident74.3Confident70 Ų70109.1 Ų109.137%0.36651%0.512SS..Hα-helixtrans-60.8-47.1173.5-77.4170.4000111.7K279 Q281 R285 W286 Y287K279-L283 HydrophobicContact CG-CD1 4.21Å; K279-L283 WeakPolarHBondContact O-CB 3.21Å; K279-L283 WeakPolarHBondContact O-CG 3.2Å; K279-L283 PolarHBondContact O-N 3.31Å; Q281-L283 PolarHBondContact O-N 3.13Å; L283-R285 VanDerWaalsContact C-N 3.3Å; L283-R285 PolarHBondContact O-N 2.94Å; L283-W286 PolarHBondContact O-N 3.15Å; L283-Y287 WeakPolarHBondContact O-CD2 3.44Å; L283-Y287 PolarHBondContact O-N 3.46Å
284K79.3Confident72Confident158 Ų158116.5 Ų116.569%0.68753%0.534SS*.Hα-helixtrans-58.4-43.9177-78.4179.4178.7-170.90111.7R280 Q281 Y287 S288R280-K284 WeakPolarHBondContact O-CG 3.47Å; R280-K284 PolarHBondContact O-N 3.46Å; R280-K284 VanDerWaalsContact O-N 3.14Å; Q281-K284 PolarHBondContact O-N 3.45Å; K284-Y287 PolarHBondContact O-N 2.99Å; K284-S288 PolarHBondContact O-N 3.03Å; K284-S288 PolarHBondContact O-OG 2.92Å
285R78.4Confident69.3Low158 Ų158114.6 Ų114.660%0.59654%0.541SS*.Hα-helixtrans-62-48.8177.4-175177.4177.8172.62.9111.1Q281 D282 L283 Y287 S288 E289Q281-R285 WeakPolarHBondContact O-CB 3.32Å; Q281-R285 PolarHBondContact O-N 3.39Å; D282-R285 PolarHBondContact O-N 2.62Å; L283-R285 VanDerWaalsContact C-N 3.3Å; L283-R285 PolarHBondContact O-N 2.94Å; R285-Y287 VanDerWaalsContact C-N 3.34Å; R285-Y287 PolarHBondContact O-N 3.4Å; R285-S288 WeakPolarHBondContact CA-OG 3.37Å; R285-S288 PolarHBondContact O-N 3.34Å; R285-S288 VanDerWaalsContact O-N 3.1Å; R285-S288 PolarHBondContact O-OG 3.42Å; R285-E289 HydrophobicContact CG-CG 4.42Å; R285-E289 WeakPolarHBondContact CG-OE1 3.31Å; R285-E289 IonicContact CZ-OE1 2.82Å; R285-E289 IonicContact NE-OE1 3.37Å; R285-E289 PolarHBondContact NE-OE1 3.37Å; R285-E289 IonicContact NH2-OE1 3.92Å; R285-E289 PolarHBondContact NH2-OE1 2.88Å; R285-E289 WeakPolarHBondContact O-CG 3.25Å; R285-E289 PolarHBondContact O-N 3.34Å
286W71.9Confident66.6Low134 Ų134123.1 Ų123.151%0.50858%0.584SS.*Hα-helixtrans-57.6-45.4178.1-174.687.2000112.2D282 L283 E289 K290D282-W286 WeakPolarHBondContact O-CB 3.23Å; D282-W286 PolarHBondContact O-N 3.22Å; L283-W286 PolarHBondContact O-N 3.15Å; W286-E289 PolarHBondContact O-N 2.92Å; W286-K290 HydrophobicContact CD2-CG 4.11Å; W286-K290 HydrophobicContact CH2-CG 4.38Å; W286-K290 HydrophobicContact CZ2-CD 4.31Å; W286-K290 HydrophobicContact CZ2-CG 3.96Å; W286-K290 VanDerWaalsContact O-CB 3.31Å; W286-K290 WeakPolarHBondContact O-CB 3.02Å; W286-K290 WeakPolarHBondContact O-CG 3.5Å; W286-K290 PolarHBondContact O-N 2.72Å
287Y68.9Low64.1Low95 Ų95127.1 Ų127.137%0.37364%0.639SS.*Hα-helixtrans-62.2-43174.8-81.8-67.9000111.9Y80 L283 K284 R285 E289 K290 S291Y80-Y287 PolarHBondContact OH-OH 3.34Å; L283-Y287 WeakPolarHBondContact O-CD2 3.44Å; L283-Y287 PolarHBondContact O-N 3.46Å; K284-Y287 PolarHBondContact O-N 2.99Å; R285-Y287 VanDerWaalsContact C-N 3.34Å; R285-Y287 PolarHBondContact O-N 3.4Å; Y287-E289 VanDerWaalsContact C-N 3.34Å; Y287-E289 PolarHBondContact O-N 3.4Å; Y287-K290 PolarHBondContact O-N 3.17Å; Y287-S291 WeakPolarHBondContact O-CB 3.3Å; Y287-S291 PolarHBondContact O-N 3.04Å; Y287-S291 PolarHBondContact O-OG 3.32Å
288S74.1Confident62.9Low81 Ų81126.8 Ų126.857%0.56664%0.642SS**Hα-helixtrans-64.4-37.2178.967.60000113.1K284 R285K284-S288 PolarHBondContact O-N 3.03Å; K284-S288 PolarHBondContact O-OG 2.92Å; R285-S288 WeakPolarHBondContact CA-OG 3.37Å; R285-S288 PolarHBondContact O-N 3.34Å; R285-S288 VanDerWaalsContact O-N 3.1Å; R285-S288 PolarHBondContact O-OG 3.42Å
289E72.5Confident61.7Low120 Ų120124.7 Ų124.756%0.56164%0.643SS**Hα-helixtrans-76.7-30.7179.4-70173.7-179.900112.4R285 W286 Y287R285-E289 HydrophobicContact CG-CG 4.42Å; R285-E289 WeakPolarHBondContact CG-OE1 3.31Å; R285-E289 IonicContact CZ-OE1 2.82Å; R285-E289 IonicContact NE-OE1 3.37Å; R285-E289 PolarHBondContact NE-OE1 3.37Å; R285-E289 IonicContact NH2-OE1 3.92Å; R285-E289 PolarHBondContact NH2-OE1 2.88Å; R285-E289 WeakPolarHBondContact O-CG 3.25Å; R285-E289 PolarHBondContact O-N 3.34Å; W286-E289 PolarHBondContact O-N 2.92Å; Y287-E289 VanDerWaalsContact C-N 3.34Å; Y287-E289 PolarHBondContact O-N 3.4Å
290K61.8Low60.2Low139 Ų139130.8 Ų130.860%0.60468%0.675SS**Hα-helixtrans-87.8-6.7177.6-73.1-82.9-177.7178.30114W286 Y287 L292W286-K290 HydrophobicContact CD2-CG 4.11Å; W286-K290 HydrophobicContact CH2-CG 4.38Å; W286-K290 HydrophobicContact CZ2-CD 4.31Å; W286-K290 HydrophobicContact CZ2-CG 3.96Å; W286-K290 VanDerWaalsContact O-CB 3.31Å; W286-K290 WeakPolarHBondContact O-CB 3.02Å; W286-K290 WeakPolarHBondContact O-CG 3.5Å; W286-K290 PolarHBondContact O-N 2.72Å; Y287-K290 PolarHBondContact O-N 3.17Å; K290-L292 PolarHBondContact O-N 2.98Å
291S45.8Very low58.7Low91 Ų91127.9 Ų127.964%0.63668%0.675SS**  trans-72.162.9173.4-60.50000111.4Y287Y287-S291 WeakPolarHBondContact O-CB 3.3Å; Y287-S291 PolarHBondContact O-N 3.04Å; Y287-S291 PolarHBondContact O-OG 3.32Å
292L36.1Very low57Low146 Ų146129.3 Ų129.376%0.76469%0.686SS**PPolyproline II helixtrans-80.4136.6152.9-90.6142.2000107.2K290 Y294K290-L292 PolarHBondContact O-N 2.98Å; L292-Y294 PolarHBondContact O-N 3.26Å
293P38.8Very low55.4Low111 Ų111131.1 Ų131.172%0.72170%0.695SS**PPolyproline II helixtrans-73.8121.8-159.530.5-32.3000109.9
294Y35.3Very low53.9Low219 Ų219135.4 Ų135.486%0.85972%0.718SS**PPolyproline II helixtrans-64122.6148-85.1-88.6000106.2L292 L296L292-Y294 PolarHBondContact O-N 3.26Å; Y294-L296 PolarHBondContact O-N 2.91Å
295P30Very low51.9Low115 Ų115133.7 Ų133.775%0.74772%0.721SS**  trans-66.5114.617327.7-28.2000106.6G297P295-G297 PolarHBondContact O-N 2.87Å
296L29.3Very low49.7Very low189 Ų189131.7 Ų131.799%0.9973%0.731SS**  trans-67.992.4153.6-74.6164.1000105.6Y294Y294-L296 PolarHBondContact O-N 2.91Å
297G32Very low47.7Very low140 Ų140131.5 Ų131.5100%1.44375%0.751SS**  trans-133.20170.800000108.7P295P295-G297 PolarHBondContact O-N 2.87Å

Retrieved 297 of 297 residues in 193.8 ms (Link to these results)

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