A0A5K4F9J4_SCHMA Loading...

Uridine kinase

AlphaFold DB , UniProt , Accession A0A5K4F9J4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 244 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
1M42.9Very low76.5Confident215 Ų21562.6 Ų62.6100%1.05932%0.317SS*.  0109.80-97.8-166.1-107.300104.2T3M1-T3 PolarHBondContact O-N 3.07Å; M1-T3 VanDerWaalsContact O-N 3.13Å
2D50.4Low78.3Confident100 Ų10057.4 Ų57.454%0.53529%0.291SS..  trans-66.9115.7-177.5-58.1-37.6000109.2L128D2-L128 HydrophobicContact CB-CB 3.85Å; D2-L128 HydrophobicContact CB-CD2 4.28Å; D2-L128 HydrophobicContact CB-CG 4.44Å
3T59.7Low79.9Confident95 Ų9553.1 Ų53.158%0.58327%0.269SS*.PPolyproline II helixtrans-94.4164.8169.747.50000109M1 A5M1-T3 PolarHBondContact O-N 3.07Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-A5 PolarHBondContact O-N 3.42Å
4L62.9Low81Confident95 Ų9549.4 Ų49.450%0.49725%0.251SS..BIsolated β-bridgetrans-54.1124174.3-101.1150.5000109.9R6 Q126L4-R6 PolarHBondContact O-N 2.74Å; L4-Q126 HydrophobicContact CD2-CB 3.8Å; L4-Q126 HydrophobicContact CD2-CG 3.69Å
5A65.5Low81.7Confident8 Ų846.3 Ų46.37%0.06624%0.236CC..PPolyproline II helixtrans-55.6121.7-178.500000109.5T3 V127 E129 R133T3-A5 PolarHBondContact O-N 3.42Å; A5-V127 HydrophobicContact CB-CB 4.13Å; A5-V127 HydrophobicContact CB-CG1 4.45Å; A5-V127 VanDerWaalsContact CB-O 3.3Å; A5-V127 WeakPolarHBondContact CB-O 3.47Å; A5-V127 PolarHBondContact N-O 3.05Å; A5-E129 HydrophobicContact CB-CB 3.82Å; A5-R133 HydrophobicContact CB-CB 4.33Å
6R81.5Confident82.3Confident83 Ų8343.9 Ų43.931%0.31323%0.225SC..PPolyproline II helixtrans-62148.4175-71.8176.5179.2179.5-2.7109.3L4 I132 R133 E236 D240L4-R6 PolarHBondContact O-N 2.74Å; R6-I132 HydrophobicContact CB-CG1 3.83Å; R6-I132 CarbonylContact O-C 3.56Å; R6-I132 VanDerWaalsContact O-CA 3.32Å; R6-I132 WeakPolarHBondContact O-CA 3.47Å; R6-R133 PolarHBondContact O-N 3.4Å; R6-E236 VanDerWaalsContact CD-OE2 3.23Å; R6-E236 WeakPolarHBondContact CD-OE2 3.48Å; R6-E236 IonicContact CZ-OE2 2.79Å; R6-E236 IonicContact NE-OE2 3.57Å; R6-E236 PolarHBondContact NE-OE2 3.45Å; R6-E236 IonicContact NH1-OE2 3.01Å; R6-D240 IonicContact NH2-OD2 2.96Å; R6-D240 PolarHBondContact NH2-OD2 3.46Å
7Q90.6Very high82.9Confident62 Ų6242.7 Ų42.729%0.2922%0.219SC..EExtended strand (participates in β ladder)trans-115.8143.3-173.1-67.1174.710.800111.1W122 S123 R133Q7-W122 HydrophobicContact CB-CH2 4.13Å; Q7-W122 HydrophobicContact CB-CZ3 3.96Å; Q7-W122 HydrophobicContact CG-CH2 4.13Å; Q7-W122 HydrophobicContact CG-CZ3 3.95Å; Q7-S123 PolarHBondContact NE2-O 3.47Å; Q7-S123 PolarHBondContact OE1-O 3.19Å; Q7-S123 PolarHBondContact OE1-OG 3.1Å; Q7-R133 WeakPolarHBondContact CA-O 3.41Å
8Y94.6Very high83.5Confident19 Ų1940.4 Ų40.48%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-143.3123.6173.7-159.3-99.6000110.9I10 R133 I134 L135 D153 L154 K228 I229 A232Y8-I10 HydrophobicContact CD1-CD1 4.33Å; Y8-I10 HydrophobicContact CD1-CG1 3.82Å; Y8-I10 HydrophobicContact CE1-CD1 4.5Å; Y8-I10 HydrophobicContact CE1-CG1 3.96Å; Y8-R133 PolarHBondContact N-O 3.11Å; Y8-I134 CarbonylContact O-C 3.54Å; Y8-I134 VanDerWaalsContact O-CA 3.25Å; Y8-I134 WeakPolarHBondContact O-CA 3.44Å; Y8-L135 PolarHBondContact O-N 3.28Å; Y8-D153 WeakPolarHBondContact CA-OD2 3.37Å; Y8-D153 HydrophobicContact CD1-CB 4.42Å; Y8-D153 HydrophobicContact CD2-CB 3.73Å; Y8-D153 HydrophobicContact CE1-CB 4.15Å; Y8-D153 HydrophobicContact CE2-CB 3.41Å; Y8-D153 VanDerWaalsContact CE2-CB 3.41Å; Y8-D153 HydrophobicContact CG-CB 4.23Å; Y8-L154 HydrophobicContact CE1-CB 3.92Å; Y8-K228 WeakPolarHBondContact OH-CB 3.4Å; Y8-I229 HydrophobicContact CD1-CG1 4.05Å; Y8-I229 HydrophobicContact CE1-CG1 4.06Å; Y8-A232 HydrophobicContact CD2-CB 3.97Å; Y8-A232 HydrophobicContact CE2-CB 3.61Å
9V96.9Very high83.9Confident12 Ų1239.4 Ų39.47%0.07321%0.208CC..EExtended strand (participates in β ladder)trans-109118.6-175.9-176.60000110M119 W122 L135 I137 M151 M152 D153 L154V9-M119 HydrophobicContact CG1-CE 3.76Å; V9-W122 HydrophobicContact CG2-CZ3 4.15Å; V9-L135 CarbonylContact C-O 3.58Å; V9-L135 WeakPolarHBondContact CA-O 3.48Å; V9-L135 HydrophobicContact CG1-CB 4.4Å; V9-L135 HydrophobicContact CG1-CD2 4.3Å; V9-L135 HydrophobicContact CG1-CG 4.48Å; V9-L135 HydrophobicContact CG2-CB 4.24Å; V9-I137 HydrophobicContact CG1-CG2 4.38Å; V9-M151 VanDerWaalsContact CB-O 3.22Å; V9-M151 WeakPolarHBondContact CB-O 3.5Å; V9-M151 WeakPolarHBondContact CG1-O 3.31Å; V9-M151 WeakPolarHBondContact CG2-O 3.49Å; V9-M152 HydrophobicContact CG1-CB 4.49Å; V9-M152 HydrophobicContact CG1-CG 4.15Å; V9-D153 PolarHBondContact N-OD2 3.34Å; V9-D153 PolarHBondContact O-N 3.27Å; V9-L154 PolarHBondContact O-N 3.34Å; V9-L154 VanDerWaalsContact O-N 3.1Å
10I98.3Very high84.5Confident0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-104.7118.6176.6-53.7175.9000108.5Y8 I12 L31 I134 L135 I136 I137 L154 I156 V225Y8-I10 HydrophobicContact CD1-CD1 4.33Å; Y8-I10 HydrophobicContact CD1-CG1 3.82Å; Y8-I10 HydrophobicContact CE1-CD1 4.5Å; Y8-I10 HydrophobicContact CE1-CG1 3.96Å; I10-I12 HydrophobicContact CG2-CG1 4.09Å; I10-L31 HydrophobicContact CD1-CD1 4.45Å; I10-I134 HydrophobicContact CD1-CG2 3.8Å; I10-I134 HydrophobicContact CG1-CG2 4.17Å; I10-L135 PolarHBondContact N-O 2.99Å; I10-I136 HydrophobicContact CB-CG1 4.39Å; I10-I136 HydrophobicContact CD1-CG1 4.5Å; I10-I136 CarbonylContact O-C 3.59Å; I10-I136 VanDerWaalsContact O-CA 3.32Å; I10-I136 WeakPolarHBondContact O-CA 3.37Å; I10-I137 PolarHBondContact O-N 2.84Å; I10-L154 CarbonylContact C-O 3.53Å; I10-L154 WeakPolarHBondContact CA-O 3.3Å; I10-L154 HydrophobicContact CG1-CB 4.36Å; I10-L154 HydrophobicContact CG1-CD2 4.48Å; I10-L154 HydrophobicContact CG2-CB 4.42Å; I10-L154 HydrophobicContact CG2-CD2 4.23Å; I10-L154 HydrophobicContact CG2-CG 4.34Å; I10-I156 HydrophobicContact CG2-CD1 4.25Å; I10-V225 HydrophobicContact CD1-CG1 3.78Å; I10-V225 HydrophobicContact CD1-CG2 4.42Å
11G98.6Very high84.9Confident0 Ų039.1 Ų39.10%021%0.208CC..EExtended strand (participates in β ladder)trans-94.7123169.200000111.7I137 M143 L154 I156G11-I137 CarbonylContact C-O 3.58Å; G11-I137 WeakPolarHBondContact CA-O 3.28Å; G11-M143 VanDerWaalsContact O-CE 3.3Å; G11-M143 WeakPolarHBondContact O-CE 3.11Å; G11-L154 PolarHBondContact N-O 3.48Å; G11-I156 PolarHBondContact O-N 2.72Å
12I98.3Very high87.4Confident0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-113.496.9173.5-55.3-178.6000109.1I10 K20 L27 I136 I137 E138 G139 I156 L158I10-I12 HydrophobicContact CG2-CG1 4.09Å; I12-K20 HydrophobicContact CG2-CB 4.34Å; I12-K20 HydrophobicContact CG2-CG 4.3Å; I12-L27 HydrophobicContact CD1-CD2 4.06Å; I12-I136 HydrophobicContact CD1-CG2 3.73Å; I12-I136 HydrophobicContact CG1-CG2 4.07Å; I12-I137 PolarHBondContact N-O 3.2Å; I12-E138 HydrophobicContact CB-CB 4.22Å; I12-E138 WeakPolarHBondContact O-CA 3.18Å; I12-E138 WeakPolarHBondContact O-CB 3.42Å; I12-G139 PolarHBondContact O-N 2.78Å; I12-I156 WeakPolarHBondContact CA-O 3.5Å; I12-I156 HydrophobicContact CG1-CB 4.37Å; I12-I156 HydrophobicContact CG2-CG2 4.41Å; I12-L158 HydrophobicContact CG2-CD1 4.3Å; I12-L158 HydrophobicContact CG2-CG 4.29Å
13A98.1Very high89.5Confident1 Ų127.5 Ų27.51%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-104.5180173.900000111.7G139 I142 M143 I156 F157 L158A13-G139 VanDerWaalsContact CA-O 3.3Å; A13-G139 WeakPolarHBondContact CA-O 3.38Å; A13-I142 HydrophobicContact CB-CD1 4.31Å; A13-I142 HydrophobicContact CB-CG1 3.87Å; A13-M143 HydrophobicContact CB-CB 4.13Å; A13-M143 HydrophobicContact CB-CE 3.81Å; A13-M143 HydrophobicContact CB-CG 3.6Å; A13-M143 HydrophobicContact CB-SD 3.64Å; A13-I156 PolarHBondContact N-O 2.97Å; A13-F157 HydrophobicContact CB-CD2 3.74Å; A13-F157 HydrophobicContact CB-CE2 4.09Å; A13-F157 WeakPolarHBondContact O-CA 3.44Å; A13-L158 PolarHBondContact O-N 3.4Å
14G96.5Very high91.2Very high1 Ų123.1 Ų23.11%0.0113%0.126CC..EExtended strand (participates in β ladder)trans140.8171.1-178.400000113K20 L158G14-K20 PolarHBondContact O-NZ 3.15Å; G14-L158 VanDerWaalsContact CA-O 3.24Å; G14-L158 WeakPolarHBondContact CA-O 3.34Å
15A90.9Very high92.7Very high3 Ų320.1 Ų20.13%0.02512%0.118CC..SBendtrans-51.5151.3-177.200000113.5N17 S18 K20 L158 I160 M165 Y191A15-N17 PolarHBondContact O-N 3.48Å; A15-S18 WeakPolarHBondContact O-CB 3.44Å; A15-S18 PolarHBondContact O-N 3.35Å; A15-S18 VanDerWaalsContact O-N 3.17Å; A15-S18 PolarHBondContact O-OG 3.02Å; A15-K20 PolarHBondContact O-NZ 3.25Å; A15-L158 PolarHBondContact N-O 3.02Å; A15-I160 HydrophobicContact CB-CG2 3.28Å; A15-M165 HydrophobicContact CB-CE 3.92Å; A15-M165 HydrophobicContact CB-SD 3.98Å; A15-Y191 HydrophobicContact CB-CD2 3.54Å; A15-Y191 HydrophobicContact CB-CE2 3.55Å; A15-Y191 HydrophobicContact CB-CG 4.1Å
16S92.1Very high94.2Very high9 Ų923 Ų236%0.06313%0.129CC..THydrogen-bonded Turntrans-50.8135.9164.5-1700000110.6S18 M165 R169 Y174S16-S18 PolarHBondContact O-N 3.2Å; S16-M165 VanDerWaalsContact CB-CE 3.47Å; S16-M165 WeakPolarHBondContact O-CE 3.3Å; S16-M165 WeakPolarHBondContact O-CG 3.26Å; S16-R169 PolarHBondContact OG-NH1 3.3Å; S16-Y174 PolarHBondContact OG-OH 2.74Å
17N91.5Very high94.9Very high23 Ų2319 Ų1912%0.12311%0.114CC..THydrogen-bonded Turntrans58.921.5-178.2-62.936.6000116.3A15 G19 R168 R169 R172 Y174A15-N17 PolarHBondContact O-N 3.48Å; N17-G19 VanDerWaalsContact C-N 3.27Å; N17-G19 PolarHBondContact O-N 3.32Å; N17-R168 HydrophobicContact CB-CB 3.86Å; N17-R168 PolarHBondContact ND2-O 2.84Å; N17-R168 VanDerWaalsContact O-CD 3.22Å; N17-R168 WeakPolarHBondContact O-CD 3.42Å; N17-R169 WeakPolarHBondContact ND2-CA 3.47Å; N17-R172 VanDerWaalsContact ND2-CB 3.31Å; N17-R172 WeakPolarHBondContact ND2-CB 3.45Å; N17-R172 WeakPolarHBondContact ND2-CD 3.49Å; N17-R172 WeakPolarHBondContact OD1-CD 3.18Å; N17-R172 PolarHBondContact OD1-NH1 3.17Å; N17-Y174 PolarHBondContact OD1-OH 3.13Å
18S93.2Very high95.1Very high1 Ų116.4 Ų16.41%0.00710%0.103CC..SBendtrans-71.7-18.9170.662.30000113.9A15 S16 K20 L158 R168 S210A15-S18 WeakPolarHBondContact O-CB 3.44Å; A15-S18 PolarHBondContact O-N 3.35Å; A15-S18 VanDerWaalsContact O-N 3.17Å; A15-S18 PolarHBondContact O-OG 3.02Å; S16-S18 PolarHBondContact O-N 3.2Å; S18-K20 WeakPolarHBondContact OG-CG 3.35Å; S18-L158 WeakPolarHBondContact OG-CB 3.23Å; S18-R168 PolarHBondContact O-NH1 2.89Å; S18-S210 VanDerWaalsContact O-CB 3.24Å; S18-S210 WeakPolarHBondContact O-CB 3.44Å; S18-S210 PolarHBondContact O-OG 2.87Å
19G92.4Very high95.2Very high22 Ų2222 Ų2223%0.22713%0.13CC..SBendtrans109.59.7-177.800000114.6N17 T21 T22 M23N17-G19 VanDerWaalsContact C-N 3.27Å; N17-G19 PolarHBondContact O-N 3.32Å; G19-T21 PolarHBondContact O-N 3.42Å; G19-T22 WeakPolarHBondContact O-CB 3.46Å; G19-T22 PolarHBondContact O-N 3.19Å; G19-T22 VanDerWaalsContact O-N 3.1Å; G19-M23 WeakPolarHBondContact O-CG 3.49Å; G19-M23 PolarHBondContact O-N 3.37Å
20K96Very high95.2Very high13 Ų1324.8 Ų24.86%0.05714%0.14CC..Hα-helixtrans-44.8-63.5179.4-64.4-176.9-62.2-66.80113.4I12 G14 A15 S18 T22 M23 T24 E138 L158I12-K20 HydrophobicContact CG2-CB 4.34Å; I12-K20 HydrophobicContact CG2-CG 4.3Å; G14-K20 PolarHBondContact O-NZ 3.15Å; A15-K20 PolarHBondContact O-NZ 3.25Å; S18-K20 WeakPolarHBondContact OG-CG 3.35Å; K20-T22 PolarHBondContact O-N 3.38Å; K20-M23 CarbonylContact O-C 3.59Å; K20-M23 WeakPolarHBondContact O-CA 3.35Å; K20-M23 PolarHBondContact O-N 2.76Å; K20-T24 PolarHBondContact O-N 3.37Å; K20-T24 PolarHBondContact O-OG1 3.21Å; K20-T24 VanDerWaalsContact O-OG1 3.12Å; K20-E138 WeakPolarHBondContact CB-OE2 3.42Å; K20-L158 HydrophobicContact CB-CD1 4.42Å; K20-L158 HydrophobicContact CG-CD1 3.89Å; K20-L158 HydrophobicContact CG-CG 4.37Å
21T92.2Very high95Very high59 Ų5924.8 Ų24.836%0.36214%0.14SC..Hα-helixtrans-55.1-38.8-179.4-49.90000112.6G19 T24 G25 E138G19-T21 PolarHBondContact O-N 3.42Å; T21-T24 PolarHBondContact O-N 2.98Å; T21-G25 PolarHBondContact O-N 3.48Å; T21-E138 PolarHBondContact OG1-OE1 2.78Å
22T94.4Very high94.6Very high70 Ų7029.6 Ų29.643%0.42916%0.162SC..Hα-helixtrans-68.9-40.7176.7-49.60000112.3G19 K20 K26 I214G19-T22 WeakPolarHBondContact O-CB 3.46Å; G19-T22 PolarHBondContact O-N 3.19Å; G19-T22 VanDerWaalsContact O-N 3.1Å; K20-T22 PolarHBondContact O-N 3.38Å; T22-K26 WeakPolarHBondContact O-CG 3.18Å; T22-K26 PolarHBondContact O-N 3.09Å; T22-K26 VanDerWaalsContact O-N 3.08Å; T22-I214 HydrophobicContact CG2-CD1 3.4Å; T22-I214 VanDerWaalsContact CG2-CD1 3.4Å; T22-I214 HydrophobicContact CG2-CG1 4.47Å
23M96.4Very high94.4Very high1 Ų134 Ų341%0.00519%0.193CC..Hα-helixtrans-66.3-41.2174.3-66.4-59.292.100111.4G19 K20 K26 L27 L158 I214 L217 F218 I221G19-M23 WeakPolarHBondContact O-CG 3.49Å; G19-M23 PolarHBondContact O-N 3.37Å; K20-M23 CarbonylContact O-C 3.59Å; K20-M23 WeakPolarHBondContact O-CA 3.35Å; K20-M23 PolarHBondContact O-N 2.76Å; M23-K26 HydrophobicContact CE-CD 4.08Å; M23-L27 WeakPolarHBondContact O-CB 3.13Å; M23-L27 PolarHBondContact O-N 3.04Å; M23-L158 HydrophobicContact CG-CD1 4.18Å; M23-I214 HydrophobicContact CE-CD1 3.96Å; M23-I214 HydrophobicContact CE-CG1 3.37Å; M23-L217 HydrophobicContact CG-CD2 3.81Å; M23-L217 HydrophobicContact CG-CG 4.24Å; M23-L217 HydrophobicContact SD-CB 4.27Å; M23-L217 HydrophobicContact SD-CD2 3.78Å; M23-L217 HydrophobicContact SD-CG 3.76Å; M23-F218 HydrophobicContact CE-CB 4.26Å; M23-F218 HydrophobicContact SD-CB 4Å; M23-F218 HydrophobicContact SD-CD2 4.44Å; M23-I221 HydrophobicContact CB-CD1 4.08Å; M23-I221 HydrophobicContact CG-CD1 3.78Å; M23-I221 HydrophobicContact SD-CD1 3.98Å
24T95.2Very high94.2Very high4 Ų437.4 Ų37.43%0.02521%0.21CC..Hα-helixtrans-57.5-50.6174.3-61.60000111.2K20 T21 L27 A28 C40 I136 E138K20-T24 PolarHBondContact O-N 3.37Å; K20-T24 PolarHBondContact O-OG1 3.21Å; K20-T24 VanDerWaalsContact O-OG1 3.12Å; T21-T24 PolarHBondContact O-N 2.98Å; T24-L27 PolarHBondContact O-N 2.96Å; T24-A28 VanDerWaalsContact O-CB 3.28Å; T24-A28 WeakPolarHBondContact O-CB 3.5Å; T24-A28 PolarHBondContact O-N 3.42Å; T24-C40 HydrophobicContact CG2-CB 4.21Å; T24-I136 HydrophobicContact CG2-CB 4.3Å; T24-I136 HydrophobicContact CG2-CG2 3.81Å; T24-E138 HydrophobicContact CG2-CG 4.28Å; T24-E138 WeakPolarHBondContact OG1-CB 3.47Å
25G94.3Very high93.8Very high31 Ų3139.4 Ų39.432%0.3223%0.231SC..Hα-helixtrans-60.5-51.9179.100000112.6T21 L27 A28 E29T21-G25 PolarHBondContact O-N 3.48Å; G25-L27 VanDerWaalsContact C-N 3.33Å; G25-L27 PolarHBondContact O-N 3.32Å; G25-A28 PolarHBondContact O-N 3.28Å; G25-E29 WeakPolarHBondContact O-CG 3.4Å; G25-E29 PolarHBondContact O-N 3.15Å
26K96.9Very high93.8Very high69 Ų6941.3 Ų41.330%0.324%0.237SC..Hα-helixtrans-60.8-40.6178.1-73.3-172.6162.5-169.40112.8T22 M23 Y30 F218T22-K26 WeakPolarHBondContact O-CG 3.18Å; T22-K26 PolarHBondContact O-N 3.09Å; T22-K26 VanDerWaalsContact O-N 3.08Å; M23-K26 HydrophobicContact CE-CD 4.08Å; K26-Y30 WeakPolarHBondContact O-CB 3.22Å; K26-Y30 PolarHBondContact O-N 3.06Å; K26-F218 HydrophobicContact CB-CD2 3.65Å; K26-F218 HydrophobicContact CB-CE2 3.38Å; K26-F218 HydrophobicContact CB-CG 4.48Å; K26-F218 HydrophobicContact CB-CZ 4.02Å; K26-F218 HydrophobicContact CD-CD2 4.11Å; K26-F218 HydrophobicContact CD-CE2 4.49Å; K26-F218 HydrophobicContact CD-CG 4.2Å
27L96.7Very high93.6Very high0 Ų043.5 Ų43.50%025%0.248CC..Hα-helixtrans-68.2-41179.7-178.463.7000110.9I12 M23 T24 G25 Y30 L31 I136 I221 V225I12-L27 HydrophobicContact CD1-CD2 4.06Å; M23-L27 WeakPolarHBondContact O-CB 3.13Å; M23-L27 PolarHBondContact O-N 3.04Å; T24-L27 PolarHBondContact O-N 2.96Å; G25-L27 VanDerWaalsContact C-N 3.33Å; G25-L27 PolarHBondContact O-N 3.32Å; L27-Y30 HydrophobicContact CD1-CD1 4.39Å; L27-Y30 PolarHBondContact O-N 3.02Å; L27-L31 HydrophobicContact CD1-CD1 4.08Å; L27-L31 HydrophobicContact CD1-CG 4.1Å; L27-L31 HydrophobicContact CD2-CD1 4.46Å; L27-L31 HydrophobicContact CG-CD1 3.84Å; L27-L31 HydrophobicContact CG-CG 4.29Å; L27-L31 WeakPolarHBondContact O-CB 3.18Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.27Å; L27-L31 PolarHBondContact O-N 2.79Å; L27-I136 HydrophobicContact CD2-CD1 4.07Å; L27-I136 HydrophobicContact CG-CD1 4.17Å; L27-I221 HydrophobicContact CD2-CG2 4.18Å; L27-V225 HydrophobicContact CD1-CB 4.24Å; L27-V225 HydrophobicContact CD1-CG1 4.14Å; L27-V225 HydrophobicContact CD1-CG2 4.22Å; L27-V225 HydrophobicContact CD2-CG1 4.48Å; L27-V225 HydrophobicContact CD2-CG2 3.86Å
28A94.2Very high93.5Very high7 Ų742.9 Ų42.96%0.05825%0.246CC..Hα-helixtrans-61.7-48.7176.300000111.6T24 G25 Y30 L31 Q32 V38 I136T24-A28 VanDerWaalsContact O-CB 3.28Å; T24-A28 WeakPolarHBondContact O-CB 3.5Å; T24-A28 PolarHBondContact O-N 3.42Å; G25-A28 PolarHBondContact O-N 3.28Å; A28-Y30 VanDerWaalsContact C-N 3.33Å; A28-Y30 PolarHBondContact O-N 3.35Å; A28-L31 PolarHBondContact O-N 3.48Å; A28-Q32 WeakPolarHBondContact O-CB 3.25Å; A28-Q32 WeakPolarHBondContact O-CG 3.45Å; A28-Q32 PolarHBondContact O-N 3.39Å; A28-V38 HydrophobicContact CB-CG1 3.94Å; A28-I136 HydrophobicContact CB-CD1 4.26Å
29E95.5Very high93.5Very high135 Ų13544.3 Ų44.363%0.63125%0.254SS*.Hα-helixtrans-56.9-46.3175.9-73.4173.5-173.900111.6G25 S33G25-E29 WeakPolarHBondContact O-CG 3.4Å; G25-E29 PolarHBondContact O-N 3.15Å; E29-S33 WeakPolarHBondContact O-CB 3.31Å; E29-S33 PolarHBondContact O-N 3.39Å
30Y96.8Very high93.5Very high72 Ų7245.1 Ų45.128%0.28226%0.256SS..Hα-helixtrans-62.1-50.1177.6166.7-100.4000112.3K26 L27 A28 Q32 S33 I34 N226K26-Y30 WeakPolarHBondContact O-CB 3.22Å; K26-Y30 PolarHBondContact O-N 3.06Å; L27-Y30 HydrophobicContact CD1-CD1 4.39Å; L27-Y30 PolarHBondContact O-N 3.02Å; A28-Y30 VanDerWaalsContact C-N 3.33Å; A28-Y30 PolarHBondContact O-N 3.35Å; Y30-Q32 VanDerWaalsContact C-N 3.32Å; Y30-Q32 PolarHBondContact O-N 3.31Å; Y30-S33 WeakPolarHBondContact O-CB 3.34Å; Y30-S33 PolarHBondContact O-N 3.45Å; Y30-S33 VanDerWaalsContact O-N 3.09Å; Y30-S33 PolarHBondContact O-OG 2.79Å; Y30-I34 HydrophobicContact CE1-CD1 3.92Å; Y30-I34 HydrophobicContact CE2-CG2 4.22Å; Y30-I34 PolarHBondContact O-N 2.75Å; Y30-N226 WeakPolarHBondContact CE1-OD1 3.18Å; Y30-N226 PolarHBondContact OH-ND2 3.46Å; Y30-N226 PolarHBondContact OH-OD1 3.16Å
31L94Very high93.3Very high0 Ų044.7 Ų44.70%025%0.254CS..Hα-helixtrans-63.2-39.2-179-73.6173.7000111.8I10 L27 A28 S33 I34 G35 Y36 V38 I134 I136 V225 I229I10-L31 HydrophobicContact CD1-CD1 4.45Å; L27-L31 HydrophobicContact CD1-CD1 4.08Å; L27-L31 HydrophobicContact CD1-CG 4.1Å; L27-L31 HydrophobicContact CD2-CD1 4.46Å; L27-L31 HydrophobicContact CG-CD1 3.84Å; L27-L31 HydrophobicContact CG-CG 4.29Å; L27-L31 WeakPolarHBondContact O-CB 3.18Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.27Å; L27-L31 PolarHBondContact O-N 2.79Å; A28-L31 PolarHBondContact O-N 3.48Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-I34 HydrophobicContact CD2-CD1 4.22Å; L31-I34 WeakPolarHBondContact O-CG1 3.45Å; L31-I34 PolarHBondContact O-N 3.36Å; L31-G35 PolarHBondContact O-N 3.25Å; L31-Y36 HydrophobicContact CB-CD2 4.3Å; L31-Y36 HydrophobicContact CD2-CD2 3.86Å; L31-Y36 HydrophobicContact CD2-CE2 4.23Å; L31-Y36 WeakPolarHBondContact O-CB 3.49Å; L31-Y36 PolarHBondContact O-N 2.73Å; L31-Y36 VanDerWaalsContact O-N 3.08Å; L31-V38 HydrophobicContact CB-CG2 3.61Å; L31-V38 HydrophobicContact CD1-CG2 4.36Å; L31-I134 HydrophobicContact CD1-CD1 4Å; L31-I134 HydrophobicContact CD1-CG2 4.44Å; L31-I134 HydrophobicContact CD2-CD1 4.34Å; L31-I136 HydrophobicContact CD1-CD1 4.22Å; L31-V225 HydrophobicContact CD1-CG1 4.3Å; L31-V225 HydrophobicContact CD2-CG1 4.19Å; L31-I229 HydrophobicContact CD2-CD1 3.84Å
32Q91.7Very high93.4Very high101 Ų10144.5 Ų44.547%0.47225%0.25SC..Hα-helixtrans-63-40172.9-72.5170.8-19.900111.6A28 Y30 I34 G35 Y36 V38A28-Q32 WeakPolarHBondContact O-CB 3.25Å; A28-Q32 WeakPolarHBondContact O-CG 3.45Å; A28-Q32 PolarHBondContact O-N 3.39Å; Y30-Q32 VanDerWaalsContact C-N 3.32Å; Y30-Q32 PolarHBondContact O-N 3.31Å; Q32-I34 PolarHBondContact O-N 3.31Å; Q32-G35 PolarHBondContact O-N 2.93Å; Q32-Y36 WeakPolarHBondContact CA-O 3.28Å; Q32-V38 HydrophobicContact CG-CB 3.93Å; Q32-V38 HydrophobicContact CG-CG2 3.82Å; Q32-V38 PolarHBondContact NE2-O 3.26Å
33S94.4Very high93.3Very high93 Ų9341.2 Ų41.265%0.6523%0.229SC*.Hα-helixtrans-63.2-23.6178.9800000114E29 Y30 L31E29-S33 WeakPolarHBondContact O-CB 3.31Å; E29-S33 PolarHBondContact O-N 3.39Å; Y30-S33 WeakPolarHBondContact O-CB 3.34Å; Y30-S33 PolarHBondContact O-N 3.45Å; Y30-S33 VanDerWaalsContact O-N 3.09Å; Y30-S33 PolarHBondContact O-OG 2.79Å; L31-S33 VanDerWaalsContact C-N 3.33Å
34I92.5Very high93Very high71 Ų7143.5 Ų43.536%0.36424%0.242SC..THydrogen-bonded Turntrans-99.98176.365.6173.4000113.4Y30 L31 Q32 Y36Y30-I34 HydrophobicContact CE1-CD1 3.92Å; Y30-I34 HydrophobicContact CE2-CG2 4.22Å; Y30-I34 PolarHBondContact O-N 2.75Å; L31-I34 HydrophobicContact CD2-CD1 4.22Å; L31-I34 WeakPolarHBondContact O-CG1 3.45Å; L31-I34 PolarHBondContact O-N 3.36Å; Q32-I34 PolarHBondContact O-N 3.31Å; I34-Y36 HydrophobicContact CD1-CD2 3.87Å; I34-Y36 HydrophobicContact CD1-CE2 3.63Å; I34-Y36 HydrophobicContact CG1-CD2 3.74Å; I34-Y36 HydrophobicContact CG1-CE2 3.94Å
35G89.3Confident92.5Very high43 Ų4346 Ų4644%0.44326%0.255SS..THydrogen-bonded Turntrans106.20.2167.800000116.7L31 Q32 Q131L31-G35 PolarHBondContact O-N 3.25Å; Q32-G35 PolarHBondContact O-N 2.93Å; G35-Q131 VanDerWaalsContact C-OE1 3.23Å; G35-Q131 PolarHBondContact O-OE1 3.33Å
36Y89.7Confident92.3Very high43 Ų4344.7 Ų44.717%0.16924%0.24CC..  trans-78.5140.5178.3-66.6-67.5000112.2L31 Q32 I34 V38 Q131 I132 I134 I229L31-Y36 HydrophobicContact CB-CD2 4.3Å; L31-Y36 HydrophobicContact CD2-CD2 3.86Å; L31-Y36 HydrophobicContact CD2-CE2 4.23Å; L31-Y36 WeakPolarHBondContact O-CB 3.49Å; L31-Y36 PolarHBondContact O-N 2.73Å; L31-Y36 VanDerWaalsContact O-N 3.08Å; Q32-Y36 WeakPolarHBondContact CA-O 3.28Å; I34-Y36 HydrophobicContact CD1-CD2 3.87Å; I34-Y36 HydrophobicContact CD1-CE2 3.63Å; I34-Y36 HydrophobicContact CG1-CD2 3.74Å; I34-Y36 HydrophobicContact CG1-CE2 3.94Å; Y36-V38 PolarHBondContact O-N 2.88Å; Y36-Q131 HydrophobicContact CD1-CB 4.43Å; Y36-I132 HydrophobicContact CD1-CB 4.37Å; Y36-I132 VanDerWaalsContact CD1-O 3.31Å; Y36-I132 WeakPolarHBondContact CD1-O 3.38Å; Y36-I132 HydrophobicContact CE1-CB 4.21Å; Y36-I134 HydrophobicContact CD1-CD1 3.88Å; Y36-I134 HydrophobicContact CD1-CG1 4.45Å; Y36-I134 HydrophobicContact CD2-CD1 4.05Å; Y36-I134 HydrophobicContact CE1-CD1 4.49Å; Y36-I134 HydrophobicContact CG-CD1 3.63Å; Y36-I229 HydrophobicContact CE1-CG2 4.08Å; Y36-I229 HydrophobicContact CE2-CG2 4.34Å; Y36-I229 VanDerWaalsContact OH-CG2 3.25Å; Y36-I229 WeakPolarHBondContact OH-CG2 3.25Å
37N88.7Confident91.8Very high55 Ų5542.4 Ų42.429%0.29423%0.23SC..EExtended strand (participates in β ladder)trans-79113.5165.1-178.4-7.6000109.5E129 R133 I134N37-E129 WeakPolarHBondContact CB-OE2 3.37Å; N37-E129 PolarHBondContact ND2-OE1 3.11Å; N37-E129 PolarHBondContact ND2-OE2 3.33Å; N37-R133 HydrophobicContact CB-CG 4.12Å; N37-I134 PolarHBondContact O-N 3.36Å
38V90.1Very high91.1Very high11 Ų1144.2 Ų44.27%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-115.8126.8-175.6-171.70000110.9A28 L31 Q32 Y36 I134 I136A28-V38 HydrophobicContact CB-CG1 3.94Å; L31-V38 HydrophobicContact CB-CG2 3.61Å; L31-V38 HydrophobicContact CD1-CG2 4.36Å; Q32-V38 HydrophobicContact CG-CB 3.93Å; Q32-V38 HydrophobicContact CG-CG2 3.82Å; Q32-V38 PolarHBondContact NE2-O 3.26Å; Y36-V38 PolarHBondContact O-N 2.88Å; V38-I134 CarbonylContact C-O 3.55Å; V38-I134 WeakPolarHBondContact CA-O 3.41Å; V38-I134 HydrophobicContact CG2-CB 4.35Å; V38-I136 HydrophobicContact CG1-CD1 3.67Å; V38-I136 HydrophobicContact CG1-CG1 3.94Å
39T92.2Very high90Very high30 Ų3043.9 Ų43.918%0.18423%0.234CC..EExtended strand (participates in β ladder)trans-107.7138.4168.1-53.80000109.5F118 W122 I134 L135 I136T39-F118 HydrophobicContact CG2-CE1 4.48Å; T39-F118 HydrophobicContact CG2-CZ 4.1Å; T39-W122 VanDerWaalsContact CB-NE1 3.33Å; T39-W122 PolarHBondContact OG1-NE1 3.18Å; T39-W122 VanDerWaalsContact OG1-NE1 3.07Å; T39-I134 PolarHBondContact N-O 3.01Å; T39-L135 HydrophobicContact CG2-CD1 3.94Å; T39-L135 CarbonylContact O-C 3.48Å; T39-L135 WeakPolarHBondContact O-CA 3.39Å; T39-I136 PolarHBondContact O-N 2.95Å
40C92.7Very high88.5Confident40 Ų4041.2 Ų41.227%0.2722%0.22SC..EExtended strand (participates in β ladder)trans-111140.7174.3-66.20000111.3T24 I136T24-C40 HydrophobicContact CG2-CB 4.21Å; C40-I136 CarbonylContact C-O 3.57Å; C40-I136 WeakPolarHBondContact CA-O 3.13Å
41L91.9Very high86.3Confident3 Ų339.2 Ų39.22%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-130117.5176.9-172.567.8000110.1Y46 I115 F118 M119 L135 I136 I137 E138L41-Y46 HydrophobicContact CD1-CE2 3.51Å; L41-Y46 WeakPolarHBondContact CD1-OH 3.39Å; L41-Y46 HydrophobicContact CG-CE2 4.17Å; L41-I115 HydrophobicContact CD2-CG2 4.02Å; L41-F118 HydrophobicContact CB-CE1 4.38Å; L41-F118 HydrophobicContact CD1-CD1 3.69Å; L41-F118 HydrophobicContact CD1-CD2 4.29Å; L41-F118 HydrophobicContact CD1-CE1 3.79Å; L41-F118 HydrophobicContact CD1-CE2 4.36Å; L41-F118 HydrophobicContact CD1-CG 3.96Å; L41-F118 HydrophobicContact CD1-CZ 4.12Å; L41-F118 HydrophobicContact CD2-CD1 3.61Å; L41-F118 HydrophobicContact CD2-CE1 4.11Å; L41-F118 HydrophobicContact CD2-CG 4.33Å; L41-F118 HydrophobicContact CG-CD1 4.2Å; L41-F118 HydrophobicContact CG-CE1 4.34Å; L41-M119 HydrophobicContact CD2-CG 3.95Å; L41-L135 HydrophobicContact CB-CD1 4.2Å; L41-I136 PolarHBondContact N-O 3.27Å; L41-I137 HydrophobicContact CB-CB 4.28Å; L41-I137 HydrophobicContact CB-CG1 4.32Å; L41-I137 HydrophobicContact CD2-CD1 3.98Å; L41-I137 HydrophobicContact CD2-CG1 4.12Å; L41-I137 HydrophobicContact CG-CG1 4.4Å; L41-I137 CarbonylContact O-C 3.53Å; L41-I137 WeakPolarHBondContact O-CA 3.44Å; L41-E138 PolarHBondContact O-N 2.96Å
42Q92.9Very high83.9Confident56 Ų5644.6 Ų44.626%0.26224%0.239SC..EExtended strand (participates in β ladder)trans-102.2127.1-179.3-52.1-168.6-99.700110.6D44 D45 Y46 E138Q42-D44 PolarHBondContact O-N 2.87Å; Q42-D45 WeakPolarHBondContact O-CB 3.32Å; Q42-D45 PolarHBondContact O-N 3.07Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.42Å; Q42-E138 HydrophobicContact CB-CG 4.5Å; Q42-E138 HydrophobicContact CG-CG 4.22Å; Q42-E138 PolarHBondContact NE2-OE1 3.13Å
43M93.3Very high81.3Confident1 Ų141.9 Ų41.91%0.00523%0.233CC..G310 helixtrans-61.2-34.5177.1-171.4-154.87900112D45 Y46 Y47 V110 W112 I115 E138 I140 L141 I142M43-D45 PolarHBondContact O-N 3.39Å; M43-D45 VanDerWaalsContact O-N 3.13Å; M43-Y46 WeakPolarHBondContact O-CB 3.46Å; M43-Y46 PolarHBondContact O-N 3.34Å; M43-Y47 HydrophobicContact CE-CE2 4.21Å; M43-V110 HydrophobicContact CE-CG2 4.24Å; M43-V110 HydrophobicContact CG-CG1 4.05Å; M43-V110 HydrophobicContact CG-CG2 4.49Å; M43-V110 HydrophobicContact SD-CG2 4.37Å; M43-W112 HydrophobicContact CG-CH2 4.26Å; M43-W112 HydrophobicContact CG-CZ3 4.32Å; M43-W112 HydrophobicContact SD-CH2 3.9Å; M43-W112 HydrophobicContact SD-CZ3 4.49Å; M43-I115 HydrophobicContact CB-CD1 4.47Å; M43-I115 HydrophobicContact CG-CD1 4.01Å; M43-E138 VanDerWaalsContact CB-O 3.29Å; M43-E138 WeakPolarHBondContact CB-O 3.24Å; M43-E138 PolarHBondContact N-O 2.81Å; M43-I140 HydrophobicContact CE-CD1 4.3Å; M43-I140 HydrophobicContact CE-CG1 3.43Å; M43-I140 VanDerWaalsContact CE-CG1 3.43Å; M43-I140 HydrophobicContact SD-CG1 4.21Å; M43-L141 HydrophobicContact SD-CB 3.84Å; M43-L141 PolarHBondContact SD-N 3.09Å; M43-I142 HydrophobicContact CB-CG2 3.73Å; M43-I142 HydrophobicContact CG-CG2 3.81Å; M43-I142 HydrophobicContact SD-CG2 4.05Å
44D89.1Confident78.5Confident49 Ų4944.6 Ų44.626%0.26224%0.236SC..G310 helixtrans-60.4-24.2-179.1-70.411.4000111.7Q42 Y46 Y47 R172Q42-D44 PolarHBondContact O-N 2.87Å; D44-Y46 PolarHBondContact O-N 2.67Å; D44-Y47 HydrophobicContact CB-CD2 4.42Å; D44-Y47 HydrophobicContact CB-CE2 4.28Å; D44-Y47 WeakPolarHBondContact O-CD2 3.47Å; D44-R172 IonicContact OD2-NH2 3.34Å
45D85.9Confident75.8Confident57 Ų5745.4 Ų45.431%0.30524%0.241SC..G310 helixtrans-76.6-1.6175.1-60.4-24.9000113.7Q42 M43 Q51 K80Q42-D45 WeakPolarHBondContact O-CB 3.32Å; Q42-D45 PolarHBondContact O-N 3.07Å; M43-D45 PolarHBondContact O-N 3.39Å; M43-D45 VanDerWaalsContact O-N 3.13Å; D45-Q51 PolarHBondContact O-NE2 3.05Å; D45-K80 PolarHBondContact O-NZ 3.16Å; D45-K80 VanDerWaalsContact O-NZ 3.1Å
46Y89.1Confident72.8Confident2 Ų251.8 Ų51.81%0.00826%0.256CS..G310 helixtrans-117.813.1-177.8-70.2-97.1000112.9L41 Q42 M43 D44 W48 F76 K80 D111 G114 I115L41-Y46 HydrophobicContact CD1-CE2 3.51Å; L41-Y46 WeakPolarHBondContact CD1-OH 3.39Å; L41-Y46 HydrophobicContact CG-CE2 4.17Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.42Å; M43-Y46 WeakPolarHBondContact O-CB 3.46Å; M43-Y46 PolarHBondContact O-N 3.34Å; D44-Y46 PolarHBondContact O-N 2.67Å; Y46-W48 PolarHBondContact O-N 3.45Å; Y46-F76 HydrophobicContact CE1-CE1 4.19Å; Y46-F76 HydrophobicContact CE1-CZ 4.37Å; Y46-F76 WeakPolarHBondContact OH-CE1 3.42Å; Y46-K80 VanDerWaalsContact CD2-NZ 3.3Å; Y46-K80 PolarHBondContact OH-NZ 2.75Å; Y46-D111 HydrophobicContact CD1-CB 4.42Å; Y46-D111 WeakPolarHBondContact O-CB 3.23Å; Y46-D111 PolarHBondContact O-N 2.96Å; Y46-G114 WeakPolarHBondContact CE1-O 3.49Å; Y46-I115 HydrophobicContact CD1-CG1 3.59Å; Y46-I115 HydrophobicContact CD2-CD1 4.13Å; Y46-I115 HydrophobicContact CD2-CG1 3.59Å; Y46-I115 HydrophobicContact CE1-CG1 3.97Å; Y46-I115 HydrophobicContact CE2-CG1 3.95Å; Y46-I115 HydrophobicContact CG-CD1 3.98Å; Y46-I115 HydrophobicContact CG-CG1 3.38Å
47Y86.8Confident69.8Low21 Ų2153.5 Ų53.58%0.08227%0.271CS..BIsolated β-bridgetrans-61.8135.3166.4-81.3-60.6000111.1M43 D44 G49 F50 F104 A109 V110M43-Y47 HydrophobicContact CE-CE2 4.21Å; D44-Y47 HydrophobicContact CB-CD2 4.42Å; D44-Y47 HydrophobicContact CB-CE2 4.28Å; D44-Y47 WeakPolarHBondContact O-CD2 3.47Å; Y47-G49 PolarHBondContact O-N 3.05Å; Y47-F50 PolarHBondContact O-N 3.4Å; Y47-F104 HydrophobicContact CD1-CD1 4.05Å; Y47-F104 HydrophobicContact CE1-CB 4.07Å; Y47-F104 HydrophobicContact CE1-CD1 4.37Å; Y47-F104 WeakPolarHBondContact CE1-O 3.39Å; Y47-F104 HydrophobicContact CG-CD1 4.34Å; Y47-F104 VanDerWaalsContact CZ-O 3.31Å; Y47-F104 PolarHBondContact OH-O 3.46Å; Y47-A109 WeakPolarHBondContact CA-O 3.41Å; Y47-A109 HydrophobicContact CD1-CB 3.85Å; Y47-A109 WeakPolarHBondContact CD1-O 3.26Å; Y47-A109 HydrophobicContact CE1-CB 3.85Å; Y47-V110 HydrophobicContact CD1-CG2 3.98Å; Y47-V110 HydrophobicContact CE1-CG2 3.71Å
48W82.5Confident67Low39 Ų3958.5 Ų58.515%0.14830%0.298CS..THydrogen-bonded Turntrans-58137.5176.3-70.8124.6000111.3Y46 F50 D90 R92 H93 S108 A109 V110 D111Y46-W48 PolarHBondContact O-N 3.45Å; W48-F50 VanDerWaalsContact C-N 3.31Å; W48-D90 HydrophobicContact CB-CB 4.14Å; W48-R92 HydrophobicContact CG-CB 4.24Å; W48-H93 PolarHBondContact O-NE2 2.91Å; W48-S108 PolarHBondContact NE1-O 3.42Å; W48-A109 PolarHBondContact N-O 2.63Å; W48-V110 PolarHBondContact NE1-O 3.41Å; W48-D111 HydrophobicContact CD2-CB 4.03Å; W48-D111 HydrophobicContact CE3-CB 3.78Å; W48-D111 HydrophobicContact CH2-CB 3.48Å; W48-D111 VanDerWaalsContact CH2-CB 3.48Å; W48-D111 WeakPolarHBondContact CH2-OD1 3.42Å; W48-D111 HydrophobicContact CZ2-CB 3.72Å; W48-D111 HydrophobicContact CZ3-CB 3.49Å; W48-D111 VanDerWaalsContact CZ3-CB 3.49Å; W48-D111 VanDerWaalsContact CZ3-CG 3.4Å
49G70.9Confident64Low0 Ų062.1 Ų62.10%034%0.337CS..THydrogen-bonded Turntrans77.46.7-172.700000114.8Y47 F85 D90Y47-G49 PolarHBondContact O-N 3.05Å; G49-F85 CarbonylContact O-C 3.55Å; G49-F85 VanDerWaalsContact O-C 3.23Å; G49-F85 WeakPolarHBondContact O-CB 3.33Å; G49-D90 PolarHBondContact N-OD2 2.95Å
50F64.7Low60.9Low79 Ų7966 Ų6635%0.34636%0.356SS..SBendtrans-90.4-12.5153.5-76-80.2000112.3Y47 W48 P87Y47-F50 PolarHBondContact O-N 3.4Å; W48-F50 VanDerWaalsContact C-N 3.31Å; F50-P87 HydrophobicContact CD1-CG 4.13Å; F50-P87 HydrophobicContact CD2-CB 3.97Å; F50-P87 HydrophobicContact CD2-CG 3.68Å; F50-P87 HydrophobicContact CE1-CG 3.79Å; F50-P87 HydrophobicContact CE2-CB 3.74Å; F50-P87 HydrophobicContact CE2-CG 3.34Å; F50-P87 HydrophobicContact CG-CG 4.11Å; F50-P87 HydrophobicContact CZ-CB 4.28Å; F50-P87 HydrophobicContact CZ-CG 3.41Å; F50-P87 VanDerWaalsContact CZ-CG 3.41Å
51Q49.3Very low57.8Low30 Ų3069.4 Ų69.414%0.1438%0.38CS..  trans-124.8113.2-179.4-62.8-176.935.800109D45 K80D45-Q51 PolarHBondContact O-NE2 3.05Å; Q51-K80 HydrophobicContact CG-CG 4.38Å; Q51-K80 VanDerWaalsContact NE2-CE 3.26Å; Q51-K80 VanDerWaalsContact NE2-NZ 3.13Å
52Q45Very low55Low113 Ų11378.3 Ų78.353%0.52842%0.415SS..  trans167.894.7142.8-92168.453.900110.4
53A37Very low51.9Low43 Ų4381.2 Ų81.236%0.35544%0.436SS..  trans-92.3128.1133.400000107.1L55 V83A53-L55 PolarHBondContact O-N 3Å; A53-V83 HydrophobicContact CB-CB 4.5Å; A53-V83 HydrophobicContact CB-CG2 3.3Å
54E34.7Very low49.3Very low151 Ų15188.1 Ų88.171%0.70647%0.467SS*.  trans-61.3120.4146.2-75.8-174.1156.800107.6K56E54-K56 VanDerWaalsContact C-N 3.31Å; E54-K56 PolarHBondContact O-N 3.33Å; E54-K56 VanDerWaalsContact OE2-CE 3.32Å; E54-K56 WeakPolarHBondContact OE2-CE 3.33Å; E54-K56 IonicContact OE2-NZ 2.74Å
55L35.1Very low46.5Very low88 Ų8889.7 Ų89.746%0.46148%0.48SS..  trans-66.995.7159.7-86.2174.9000108.1A53 T57 Y75 L79A53-L55 PolarHBondContact O-N 3Å; L55-T57 HydrophobicContact CD2-CG2 4.3Å; L55-Y75 HydrophobicContact CD1-CE1 3.59Å; L55-L79 HydrophobicContact CD1-CD1 4.48Å; L55-L79 HydrophobicContact CD1-CD2 3.29Å; L55-L79 HydrophobicContact CD1-CG 4.21Å; L55-L79 HydrophobicContact CD2-CD2 4.41Å; L55-L79 HydrophobicContact CG-CD2 3.51Å
56K27.5Very low43.9Very low176 Ų17695.2 Ų95.277%0.76550%0.504SS*.  trans-93.193156.1-74.1-172-177.8174.50108.4E54E54-K56 VanDerWaalsContact C-N 3.31Å; E54-K56 PolarHBondContact O-N 3.33Å; E54-K56 VanDerWaalsContact OE2-CE 3.32Å; E54-K56 WeakPolarHBondContact OE2-CE 3.33Å; E54-K56 IonicContact OE2-NZ 2.74Å
57T27.5Very low41.5Very low79 Ų7999.7 Ų99.749%0.48553%0.528SS..  trans-118106.1167.7470000109.9L55 G59L55-T57 HydrophobicContact CD2-CG2 4.3Å; T57-G59 PolarHBondContact O-N 3.08Å
58N28.6Very low39.7Very low161 Ų161102 Ų10286%0.86155%0.547SS*.THydrogen-bonded Turntrans50.543.2158.8-63.7-11.4000118.8I60N58-I60 PolarHBondContact O-N 2.89Å; N58-I60 VanDerWaalsContact O-N 3.07Å
59G27.7Very low38.1Very low87 Ų87105.5 Ų105.590%0.89756%0.56SS**THydrogen-bonded Turntrans67.814.3160.600000116.6T57T57-G59 PolarHBondContact O-N 3.08Å
60I27.1Very low37Very low111 Ų111111.2 Ų111.257%0.56959%0.589SS**  trans-113.5112.4175-60.5174.9000108.6N58 Y62N58-I60 PolarHBondContact O-N 2.89Å; N58-I60 VanDerWaalsContact O-N 3.07Å; I60-Y62 HydrophobicContact CG2-CD2 4.46Å; I60-Y62 HydrophobicContact CG2-CE2 4.21Å; I60-Y62 PolarHBondContact O-N 2.82Å
61S26.8Very low36.2Very low112 Ų112111.7 Ų111.778%0.78360%0.595SS**  trans-72.5112167.1-178.20000108.3T63S61-T63 PolarHBondContact O-N 2.76Å
62Y33.1Very low36.2Very low190 Ų190112 Ų11275%0.74560%0.597SS**  trans-82109.3169-72.5-83.1000108.7I60 F64I60-Y62 HydrophobicContact CG2-CD2 4.46Å; I60-Y62 HydrophobicContact CG2-CE2 4.21Å; I60-Y62 PolarHBondContact O-N 2.82Å; Y62-F64 PolarHBondContact O-N 2.9Å
63T29.3Very low36.4Very low116 Ų116108.2 Ų108.271%0.71258%0.58SS**  trans-64.5126.1167-30.60000108.3S61 C65S61-T63 PolarHBondContact O-N 2.76Å; T63-C65 PolarHBondContact O-N 2.85Å
64F36.8Very low36.9Very low147 Ų147114 Ų11465%0.64559%0.593SS**THydrogen-bonded Turntrans-53.83.9-171.7-162.6-103.7000116.8Y62 Q72Y62-F64 PolarHBondContact O-N 2.9Å; F64-Q72 PolarHBondContact O-NE2 3.47Å
65C31.2Very low37.5Very low81 Ų81111.8 Ų111.855%0.54758%0.579SS.*THydrogen-bonded Turntrans-96.1-0.6-16269.80000117.5T63T63-C65 PolarHBondContact O-N 2.85Å
66H32.3Very low38.3Very low174 Ų174110.4 Ų110.481%0.80657%0.57SS**SBendtrans-133.38.3-173.2-68.9-52.8000118
67L38.3Very low39.2Very low96 Ų96107.2 Ų107.250%0.50355%0.554SS.*SBendtrans-85.3133.8166.8-70.6169.1000109.7R69 Q72L67-R69 PolarHBondContact O-N 3.07Å; L67-Q72 HydrophobicContact CB-CG 3.95Å; L67-Q72 PolarHBondContact O-NE2 3.28Å
68S47.6Very low40Very low70 Ų70107.8 Ų107.849%0.4955%0.553SS.*  trans-50.7138171.469.60000109.9I70 L71 Q72S68-I70 PolarHBondContact O-N 3.48Å; S68-L71 WeakPolarHBondContact O-CA 3.4Å; S68-L71 WeakPolarHBondContact O-CB 3.46Å; S68-L71 PolarHBondContact O-N 3.4Å; S68-Q72 PolarHBondContact O-N 3.05Å
69R50.6Low40.8Very low111 Ų111103.3 Ų103.342%0.41953%0.529SS..Hα-helixtrans-52.5-31-173.4-90.3162.7153.1167.3-5113.9L67 Q72 I73 E124L67-R69 PolarHBondContact O-N 3.07Å; R69-Q72 PolarHBondContact O-N 3.28Å; R69-I73 PolarHBondContact O-N 2.96Å; R69-E124 PolarHBondContact NE-O 2.85Å; R69-E124 PolarHBondContact NH1-O 2.99Å; R69-E124 PolarHBondContact NH2-O 3Å
70I46.6Very low41.7Very low120 Ų120101 Ų10162%0.61549%0.494SS*.Hα-helixtrans-67.8-41.2176.1-66.6169.8000111.4S68 Q72 I73 Y74S68-I70 PolarHBondContact O-N 3.48Å; I70-Q72 VanDerWaalsContact C-N 3.32Å; I70-Q72 PolarHBondContact O-N 3.02Å; I70-I73 PolarHBondContact O-N 3.18Å; I70-Y74 WeakPolarHBondContact O-CB 3.32Å; I70-Y74 PolarHBondContact O-N 2.96Å
71L47.7Very low42.4Very low89 Ų89101 Ų10147%0.46650%0.499SS..Hα-helixtrans-67.8-30.7174.7-90162.4000111.9S68 Y74 Y75S68-L71 WeakPolarHBondContact O-CA 3.4Å; S68-L71 WeakPolarHBondContact O-CB 3.46Å; S68-L71 PolarHBondContact O-N 3.4Å; L71-Y74 PolarHBondContact O-N 3.32Å; L71-Y75 WeakPolarHBondContact O-CA 3.36Å; L71-Y75 WeakPolarHBondContact O-CB 3.46Å; L71-Y75 PolarHBondContact O-N 2.81Å
72Q49Very low43Very low38 Ų38101.2 Ų101.218%0.17849%0.491CS..Hα-helixtrans-65.6-41.8175.7-63.8-178.413.200111.8F64 L67 S68 R69 I70 Y75 F76F64-Q72 PolarHBondContact O-NE2 3.47Å; L67-Q72 HydrophobicContact CB-CG 3.95Å; L67-Q72 PolarHBondContact O-NE2 3.28Å; S68-Q72 PolarHBondContact O-N 3.05Å; R69-Q72 PolarHBondContact O-N 3.28Å; I70-Q72 VanDerWaalsContact C-N 3.32Å; I70-Q72 PolarHBondContact O-N 3.02Å; Q72-Y75 PolarHBondContact O-N 3.4Å; Q72-F76 VanDerWaalsContact O-CB 3.27Å; Q72-F76 WeakPolarHBondContact O-CB 3.3Å; Q72-F76 PolarHBondContact O-N 3.34Å
73I50.1Low43.5Very low33 Ų3394.4 Ų94.417%0.16947%0.469CS..Hα-helixtrans-64.9-45.8173.4-63.6172.4000110.1R69 I70 Y75 F76 Y77 F118R69-I73 PolarHBondContact O-N 2.96Å; I70-I73 PolarHBondContact O-N 3.18Å; I73-Y75 VanDerWaalsContact C-N 3.35Å; I73-Y75 PolarHBondContact O-N 3.45Å; I73-F76 PolarHBondContact O-N 3.41Å; I73-Y77 PolarHBondContact O-N 3.45Å; I73-F118 HydrophobicContact CG2-CE2 4.02Å; I73-F118 HydrophobicContact CG2-CZ 4.43Å
74Y47.4Very low44.2Very low163 Ų163100.1 Ų100.164%0.63948%0.479SS*.Hα-helixtrans-62.6-40.7178.1-126.5-89.4000112.1I70 L71 Y77 L78I70-Y74 WeakPolarHBondContact O-CB 3.32Å; I70-Y74 PolarHBondContact O-N 2.96Å; L71-Y74 PolarHBondContact O-N 3.32Å; Y74-Y77 CarbonylContact O-C 3.23Å; Y74-Y77 WeakPolarHBondContact O-CB 3.28Å; Y74-Y77 PolarHBondContact O-N 3.23Å; Y74-L78 VanDerWaalsContact O-CB 3.31Å; Y74-L78 WeakPolarHBondContact O-CB 3.26Å; Y74-L78 PolarHBondContact O-N 3.32Å
75Y47.7Very low45Very low106 Ų10698.1 Ų98.142%0.41647%0.47SS..Hα-helixtrans-72.6-34.6179.2-148.4-94.3000111.1L55 L71 Q72 I73 Y77 L78 L79L55-Y75 HydrophobicContact CD1-CE1 3.59Å; L71-Y75 WeakPolarHBondContact O-CA 3.36Å; L71-Y75 WeakPolarHBondContact O-CB 3.46Å; L71-Y75 PolarHBondContact O-N 2.81Å; Q72-Y75 PolarHBondContact O-N 3.4Å; I73-Y75 VanDerWaalsContact C-N 3.35Å; I73-Y75 PolarHBondContact O-N 3.45Å; Y75-Y77 VanDerWaalsContact C-N 3.32Å; Y75-L78 PolarHBondContact O-N 3.42Å; Y75-L79 HydrophobicContact CD1-CD1 3.87Å; Y75-L79 HydrophobicContact CD1-CG 4.03Å; Y75-L79 HydrophobicContact CE1-CD1 4.3Å; Y75-L79 HydrophobicContact CE1-CG 4.29Å; Y75-L79 WeakPolarHBondContact O-CB 3.36Å; Y75-L79 WeakPolarHBondContact O-CG 3.43Å; Y75-L79 PolarHBondContact O-N 2.94Å
76F52.2Low46.3Very low59 Ų59100 Ų10026%0.25947%0.471SS..Hα-helixtrans-62.1-40.8169-167-91.6000111Y46 Q72 I73 K80 F118Y46-F76 HydrophobicContact CE1-CE1 4.19Å; Y46-F76 HydrophobicContact CE1-CZ 4.37Å; Y46-F76 WeakPolarHBondContact OH-CE1 3.42Å; Q72-F76 VanDerWaalsContact O-CB 3.27Å; Q72-F76 WeakPolarHBondContact O-CB 3.3Å; Q72-F76 PolarHBondContact O-N 3.34Å; I73-F76 PolarHBondContact O-N 3.41Å; F76-K80 PolarHBondContact O-N 2.92Å; F76-F118 HydrophobicContact CD1-CD2 4.15Å; F76-F118 HydrophobicContact CE1-CD2 4.35Å
77Y45.1Very low47.8Very low109 Ų10992.3 Ų92.343%0.42744%0.436SS..Hα-helixtrans-69.4-38.1174.2-130.4-91000112.9I73 Y74 Y75 K80 T81I73-Y77 PolarHBondContact O-N 3.45Å; Y74-Y77 CarbonylContact O-C 3.23Å; Y74-Y77 WeakPolarHBondContact O-CB 3.28Å; Y74-Y77 PolarHBondContact O-N 3.23Å; Y75-Y77 VanDerWaalsContact C-N 3.32Å; Y77-K80 WeakPolarHBondContact O-CB 3.09Å; Y77-K80 PolarHBondContact O-N 3.02Å; Y77-T81 PolarHBondContact O-N 3.39Å; Y77-T81 PolarHBondContact O-OG1 3.3Å
78L43.9Very low49.1Very low91 Ų9189 Ų8948%0.47642%0.419SS..Hα-helixtrans-69.9-35.8177.6-150.389000111.7Y74 Y75 K80 T81Y74-L78 VanDerWaalsContact O-CB 3.31Å; Y74-L78 WeakPolarHBondContact O-CB 3.26Å; Y74-L78 PolarHBondContact O-N 3.32Å; Y75-L78 PolarHBondContact O-N 3.42Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 2.86Å; L78-T81 WeakPolarHBondContact CA-OG1 3.36Å; L78-T81 PolarHBondContact O-N 2.71Å; L78-T81 PolarHBondContact O-OG1 3.43Å; L78-T81 VanDerWaalsContact O-OG1 3.06Å
79L45.3Very low50.5Low67 Ų6791.1 Ų91.135%0.35142%0.424SS..Hα-helixtrans-62.7-33.9172.8-85.6171000112.1L55 Y75L55-L79 HydrophobicContact CD1-CD1 4.48Å; L55-L79 HydrophobicContact CD1-CD2 3.29Å; L55-L79 HydrophobicContact CD1-CG 4.21Å; L55-L79 HydrophobicContact CD2-CD2 4.41Å; L55-L79 HydrophobicContact CG-CD2 3.51Å; Y75-L79 HydrophobicContact CD1-CD1 3.87Å; Y75-L79 HydrophobicContact CD1-CG 4.03Å; Y75-L79 HydrophobicContact CE1-CD1 4.3Å; Y75-L79 HydrophobicContact CE1-CG 4.29Å; Y75-L79 WeakPolarHBondContact O-CB 3.36Å; Y75-L79 WeakPolarHBondContact O-CG 3.43Å; Y75-L79 PolarHBondContact O-N 2.94Å
80K46.9Very low51.9Low39 Ų3986.5 Ų86.517%0.1741%0.408CS..Hα-helixtrans-72.3-28.3175.7-73.1-168.8176.8-1530113.7D45 Y46 Q51 F76 Y77 L78 I82D45-K80 PolarHBondContact O-NZ 3.16Å; D45-K80 VanDerWaalsContact O-NZ 3.1Å; Y46-K80 VanDerWaalsContact CD2-NZ 3.3Å; Y46-K80 PolarHBondContact OH-NZ 2.75Å; Q51-K80 HydrophobicContact CG-CG 4.38Å; Q51-K80 VanDerWaalsContact NE2-CE 3.26Å; Q51-K80 VanDerWaalsContact NE2-NZ 3.13Å; F76-K80 PolarHBondContact O-N 2.92Å; Y77-K80 WeakPolarHBondContact O-CB 3.09Å; Y77-K80 PolarHBondContact O-N 3.02Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 2.86Å; K80-I82 PolarHBondContact O-N 3.48Å
81T41.7Very low53.6Low110 Ų11090.2 Ų90.268%0.67542%0.42SS*.THydrogen-bonded Turntrans-75.9-10.9-175.24.40000112.8Y77 L78Y77-T81 PolarHBondContact O-N 3.39Å; Y77-T81 PolarHBondContact O-OG1 3.3Å; L78-T81 WeakPolarHBondContact CA-OG1 3.36Å; L78-T81 PolarHBondContact O-N 2.71Å; L78-T81 PolarHBondContact O-OG1 3.43Å; L78-T81 VanDerWaalsContact O-OG1 3.06Å
82I39.8Very low55.4Low116 Ų11689.9 Ų89.960%0.59541%0.412SS*.SBendtrans-119.289.1-178.6-53.5175.2000107.2K80K80-I82 PolarHBondContact O-N 3.48Å
83V43.6Very low57.1Low48 Ų4888.6 Ų88.629%0.29141%0.406SS..  trans164.8114.5143163.80000109.9A53 F85A53-V83 HydrophobicContact CB-CB 4.5Å; A53-V83 HydrophobicContact CB-CG2 3.3Å; V83-F85 HydrophobicContact CG1-CB 3.84Å; V83-F85 HydrophobicContact CG1-CD2 3.73Å; V83-F85 HydrophobicContact CG1-CG 4.28Å; V83-F85 VanDerWaalsContact CG1-N 3.34Å; V83-F85 PolarHBondContact O-N 2.98Å
84Y43.8Very low59Low235 Ų23591.8 Ų91.892%0.92242%0.422SS*.  trans-72.583.9157.2-77-89000108.2
85F53.7Low61.1Low105 Ų10587.7 Ų87.746%0.46141%0.406SS..  trans-82.5144159.9-131.7-103.6000106.9G49 V83 P87G49-F85 CarbonylContact O-C 3.55Å; G49-F85 VanDerWaalsContact O-C 3.23Å; G49-F85 WeakPolarHBondContact O-CB 3.33Å; V83-F85 HydrophobicContact CG1-CB 3.84Å; V83-F85 HydrophobicContact CG1-CD2 3.73Å; V83-F85 HydrophobicContact CG1-CG 4.28Å; V83-F85 VanDerWaalsContact CG1-N 3.34Å; V83-F85 PolarHBondContact O-N 2.98Å; F85-P87 WeakPolarHBondContact O-CD 3.49Å
86Q58.6Low63.1Low120 Ų12083.1 Ų83.156%0.56139%0.388SS*.  trans-76.4102.5177.7-71.1-79.4-31.200106.9H88 N89Q86-H88 PolarHBondContact O-N 2.84Å; Q86-N89 HydrophobicContact CB-CB 4.37Å; Q86-N89 PolarHBondContact O-N 3.22Å
87P63.6Low65Low13 Ų1386 Ų868%0.08441%0.414CS..G310 helixtrans-56.8-34.4-173.4-18.231.4000110.4F50 F85 N89 D90 H93 F104F50-P87 HydrophobicContact CD1-CG 4.13Å; F50-P87 HydrophobicContact CD2-CB 3.97Å; F50-P87 HydrophobicContact CD2-CG 3.68Å; F50-P87 HydrophobicContact CE1-CG 3.79Å; F50-P87 HydrophobicContact CE2-CB 3.74Å; F50-P87 HydrophobicContact CE2-CG 3.34Å; F50-P87 HydrophobicContact CG-CG 4.11Å; F50-P87 HydrophobicContact CZ-CB 4.28Å; F50-P87 HydrophobicContact CZ-CG 3.41Å; F50-P87 VanDerWaalsContact CZ-CG 3.41Å; F85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-N89 PolarHBondContact O-N 2.94Å; P87-N89 VanDerWaalsContact O-N 3.09Å; P87-D90 PolarHBondContact O-N 3.08Å; P87-H93 PolarHBondContact O-CD2 3.28Å; P87-H93 PolarHBondContact O-NE2 3.38Å; P87-H93 VanDerWaalsContact O-NE2 3.1Å; P87-F104 HydrophobicContact CB-CE1 3.92Å; P87-F104 HydrophobicContact CB-CZ 4.21Å
88H67Low67.2Low28 Ų2887.8 Ų87.813%0.1343%0.429CS..G310 helixtrans-56.4-26177.8-61.4-66.2000115.4Q86 R95 P102 F104 T176Q86-H88 PolarHBondContact O-N 2.84Å; H88-R95 PolarHBondContact O-NH1 2.88Å; H88-R95 PolarHBondContact O-NH2 3.39Å; H88-P102 HydrophobicContact CB-CG 4.25Å; H88-P102 VanDerWaalsContact ND1-CG 3.26Å; H88-P102 WeakPolarHBondContact ND1-CG 3.28Å; H88-F104 AromaticContact CE1-CE2 3.33Å; H88-F104 WeakPolarHBondContact CE1-CE2 3.49Å; H88-F104 AromaticContact CE1-CZ 3.37Å; H88-F104 WeakPolarHBondContact CE1-CZ 3.4Å; H88-F104 AromaticContact ND1-CE2 3.55Å; H88-F104 AromaticContact ND1-CZ 3.45Å; H88-F104 WeakPolarHBondContact ND1-CZ 3.48Å; H88-T176 WeakPolarHBondContact CE1-CB 3.46Å; H88-T176 WeakPolarHBondContact CE1-CG2 3.34Å; H88-T176 PolarHBondContact CE1-OG1 3.14Å; H88-T176 VanDerWaalsContact CE1-OG1 3.3Å; H88-T176 WeakPolarHBondContact NE2-CB 3.43Å; H88-T176 WeakPolarHBondContact NE2-CG2 3.22Å; H88-T176 PolarHBondContact NE2-OG1 3.09Å
89N75.4Confident69.3Low114 Ų11486.5 Ų86.561%0.6143%0.425SS*.G310 helixtrans-98.9-1.1-174.4-70.4-14.6000112.8Q86 P87 K91Q86-N89 HydrophobicContact CB-CB 4.37Å; Q86-N89 PolarHBondContact O-N 3.22Å; P87-N89 PolarHBondContact O-N 2.94Å; P87-N89 VanDerWaalsContact O-N 3.09Å; N89-K91 PolarHBondContact O-N 3.14Å
90D80.4Confident71.4Confident13 Ų1388.4 Ų88.47%0.0744%0.435CS..  trans-65.8124.3176.1-160.9-58.7000110.3W48 G49 P87 R92 H93W48-D90 HydrophobicContact CB-CB 4.14Å; G49-D90 PolarHBondContact N-OD2 2.95Å; P87-D90 PolarHBondContact O-N 3.08Å; D90-R92 PolarHBondContact O-N 2.81Å; D90-R92 VanDerWaalsContact O-N 3.09Å; D90-R92 VanDerWaalsContact OD1-CB 3.28Å; D90-R92 WeakPolarHBondContact OD1-CB 3.32Å; D90-R92 WeakPolarHBondContact OD1-CG 3.32Å; D90-R92 IonicContact OD1-CZ 3.99Å; D90-R92 PolarHBondContact OD1-N 2.92Å; D90-R92 IonicContact OD1-NE 3.34Å; D90-R92 PolarHBondContact OD1-NE 3.45Å; D90-R92 IonicContact OD1-NH2 3.94Å; D90-R92 IonicContact OD2-CZ 3.63Å; D90-R92 IonicContact OD2-NE 3.55Å; D90-R92 PolarHBondContact OD2-NE 3.48Å; D90-R92 IonicContact OD2-NH2 2.85Å; D90-R92 PolarHBondContact OD2-NH2 3.23Å; D90-H93 PolarHBondContact O-N 3.41Å; D90-H93 VanDerWaalsContact O-N 3.14Å
91K83.1Confident73.4Confident199 Ų19990.5 Ų90.587%0.86545%0.446SS*.THydrogen-bonded Turntrans-62.4-14.5-178.564.2-176.6179.1-178.40113.9N89N89-K91 PolarHBondContact O-N 3.14Å
92R84.6Confident75.7Confident82 Ų8285.5 Ų85.531%0.30942%0.415SS..THydrogen-bonded Turntrans-81.4-14.8178.4-67169.5-77-166.51.5113W48 D90 I94W48-R92 HydrophobicContact CG-CB 4.24Å; D90-R92 PolarHBondContact O-N 2.81Å; D90-R92 VanDerWaalsContact O-N 3.09Å; D90-R92 VanDerWaalsContact OD1-CB 3.28Å; D90-R92 WeakPolarHBondContact OD1-CB 3.32Å; D90-R92 WeakPolarHBondContact OD1-CG 3.32Å; D90-R92 IonicContact OD1-CZ 3.99Å; D90-R92 PolarHBondContact OD1-N 2.92Å; D90-R92 IonicContact OD1-NE 3.34Å; D90-R92 PolarHBondContact OD1-NE 3.45Å; D90-R92 IonicContact OD1-NH2 3.94Å; D90-R92 IonicContact OD2-CZ 3.63Å; D90-R92 IonicContact OD2-NE 3.55Å; D90-R92 PolarHBondContact OD2-NE 3.48Å; D90-R92 IonicContact OD2-NH2 2.85Å; D90-R92 PolarHBondContact OD2-NH2 3.23Å; R92-I94 PolarHBondContact O-N 3.42Å
93H85.4Confident78.2Confident10 Ų1080.5 Ų80.55%0.04639%0.389CS..SBendtrans-70.9128175.3-73.4-61.1000111W48 P87 D90 P102 F104 A109W48-H93 PolarHBondContact O-NE2 2.91Å; P87-H93 PolarHBondContact O-CD2 3.28Å; P87-H93 PolarHBondContact O-NE2 3.38Å; P87-H93 VanDerWaalsContact O-NE2 3.1Å; D90-H93 PolarHBondContact O-N 3.41Å; D90-H93 VanDerWaalsContact O-N 3.14Å; H93-P102 HydrophobicContact CB-CB 3.8Å; H93-F104 AromaticContact CE1-CD1 3.8Å; H93-F104 AromaticContact CE1-CE1 3.64Å; H93-F104 AromaticContact NE2-CE1 3.79Å; H93-A109 WeakPolarHBondContact ND1-CB 3.26Å
94I89.6Confident80.4Confident100 Ų10080 Ų8051%0.51338%0.384SS..  trans-70.6130.6165.7-66.8171000107.2R92 N103 S108R92-I94 PolarHBondContact O-N 3.42Å; I94-N103 PolarHBondContact O-N 3.07Å; I94-S108 VanDerWaalsContact CD1-OG 3.22Å; I94-S108 WeakPolarHBondContact CD1-OG 3.42Å; I94-S108 WeakPolarHBondContact CG1-OG 3.2Å
95R91.3Very high82.8Confident77 Ų7769.2 Ų69.229%0.29134%0.342SS..BIsolated β-bridgetrans-106.6150.9-178.8-65.6178.2179.5-88.51.8111.9H88 N100 E101H88-R95 PolarHBondContact O-NH1 2.88Å; H88-R95 PolarHBondContact O-NH2 3.39Å; R95-N100 WeakPolarHBondContact CD-O 3.39Å; R95-N100 WeakPolarHBondContact CD-OD1 3.47Å; R95-N100 PolarHBondContact NH1-O 2.97Å; R95-E101 CarbonylContact C-O 3.58Å; R95-E101 VanDerWaalsContact CA-O 3.29Å; R95-E101 WeakPolarHBondContact CA-O 3.41Å
96D90.9Very high84.7Confident10 Ų1065 Ų655%0.05333%0.325CS..  trans-60.2125.3168.5-170.5-49.4000109.5I98 T99 N100 E101 K185 Y186D96-I98 PolarHBondContact O-N 3.13Å; D96-I98 VanDerWaalsContact O-N 3.16Å; D96-I98 WeakPolarHBondContact OD1-CB 3.39Å; D96-I98 PolarHBondContact OD1-N 3.23Å; D96-T99 WeakPolarHBondContact CB-OG1 3.09Å; D96-T99 VanDerWaalsContact CG-OG1 3.31Å; D96-T99 PolarHBondContact OD1-N 2.81Å; D96-N100 WeakPolarHBondContact O-CA 3.08Å; D96-N100 PolarHBondContact O-N 2.77Å; D96-E101 PolarHBondContact N-O 3.14Å; D96-K185 IonicContact OD1-NZ 2.98Å; D96-K185 PolarHBondContact OD1-NZ 3.35Å; D96-K185 VanDerWaalsContact OD2-CE 3.32Å; D96-K185 WeakPolarHBondContact OD2-CE 3.4Å; D96-K185 IonicContact OD2-NZ 2.64Å; D96-K185 PolarHBondContact OD2-NZ 2.88Å; D96-Y186 WeakPolarHBondContact CA-OH 3.37Å; D96-Y186 HydrophobicContact CB-CE2 4.36Å; D96-Y186 WeakPolarHBondContact CB-OH 3.41Å; D96-Y186 VanDerWaalsContact CG-OH 3.25Å; D96-Y186 WeakPolarHBondContact OD2-CE2 3.44Å; D96-Y186 PolarHBondContact OD2-OH 3.37Å
97P92Very high86.3Confident121 Ų12162.7 Ų62.779%0.78631%0.314SS*.THydrogen-bonded Turntrans-67-17.1-176.626.7-35.1000113.6
98I90Very high87.7Confident145 Ų14564.2 Ų64.274%0.74433%0.326SS*.THydrogen-bonded Turntrans-98.1-51.1-178.6-58.8174.4000110.2D96D96-I98 PolarHBondContact O-N 3.13Å; D96-I98 VanDerWaalsContact O-N 3.16Å; D96-I98 WeakPolarHBondContact OD1-CB 3.39Å; D96-I98 PolarHBondContact OD1-N 3.23Å
99T89.2Confident88.9Confident65 Ų6562.9 Ų62.940%0.39932%0.319SS..THydrogen-bonded Turntrans-91.4-13-174.763.60000113.4D96 E101D96-T99 WeakPolarHBondContact CB-OG1 3.09Å; D96-T99 VanDerWaalsContact CG-OG1 3.31Å; D96-T99 PolarHBondContact OD1-N 2.81Å; T99-E101 PolarHBondContact O-N 3.44Å; T99-E101 WeakPolarHBondContact OG1-CB 3.42Å; T99-E101 WeakPolarHBondContact OG1-CG 3.22Å; T99-E101 PolarHBondContact OG1-N 2.9Å
100N89.4Confident89.6Confident107 Ų10757.6 Ų57.657%0.57229%0.291SS*.  trans59.914.3-171.9-162.644.9000114.2R95 D96R95-N100 WeakPolarHBondContact CD-O 3.39Å; R95-N100 WeakPolarHBondContact CD-OD1 3.47Å; R95-N100 PolarHBondContact NH1-O 2.97Å; D96-N100 WeakPolarHBondContact O-CA 3.08Å; D96-N100 PolarHBondContact O-N 2.77Å
101E88.3Confident90.1Very high83 Ų8357.8 Ų57.839%0.38829%0.292SS..  trans-79.5139.9178-64-65.1170.700110.7R95 D96 T99 P179R95-E101 CarbonylContact C-O 3.58Å; R95-E101 VanDerWaalsContact CA-O 3.29Å; R95-E101 WeakPolarHBondContact CA-O 3.41Å; D96-E101 PolarHBondContact N-O 3.14Å; T99-E101 PolarHBondContact O-N 3.44Å; T99-E101 WeakPolarHBondContact OG1-CB 3.42Å; T99-E101 WeakPolarHBondContact OG1-CG 3.22Å; T99-E101 PolarHBondContact OG1-N 2.9Å; E101-P179 HydrophobicContact CB-CG 3.99Å; E101-P179 HydrophobicContact CG-CB 4.05Å; E101-P179 HydrophobicContact CG-CG 4.05Å
102P89.5Confident90.5Very high4 Ų449.7 Ų49.73%0.02626%0.256CS..BIsolated β-bridgetrans-69.4141.5178.529-33.4000112H88 H93 F104H88-P102 HydrophobicContact CB-CG 4.25Å; H88-P102 VanDerWaalsContact ND1-CG 3.26Å; H88-P102 WeakPolarHBondContact ND1-CG 3.28Å; H93-P102 HydrophobicContact CB-CB 3.8Å; P102-F104 HydrophobicContact CB-CE2 4.12Å; P102-F104 HydrophobicContact CB-CZ 4.21Å; P102-F104 HydrophobicContact CG-CD2 4.49Å; P102-F104 HydrophobicContact CG-CE2 3.6Å; P102-F104 HydrophobicContact CG-CZ 3.81Å
103N91.9Very high90.8Very high11 Ų1152.8 Ų52.86%0.05927%0.274CS..  trans-94.7104.1172.8177.613.5000110.7I94 D105 C106 Y182 Y186I94-N103 PolarHBondContact O-N 3.07Å; N103-D105 PolarHBondContact OD1-N 3.13Å; N103-C106 PolarHBondContact O-SG 3.35Å; N103-Y182 PolarHBondContact OD1-OH 3.37Å; N103-Y186 HydrophobicContact CB-CD1 4.31Å; N103-Y186 HydrophobicContact CB-CE1 4.42Å; N103-Y186 WeakPolarHBondContact ND2-CD1 3.34Å
104F91Very high90.8Very high39 Ų3952.7 Ų52.717%0.17128%0.276CS..SBendtrans-81-17.3175.6-64.2-80.5000113.3Y47 P87 H88 H93 P102 C106 Y182Y47-F104 HydrophobicContact CD1-CD1 4.05Å; Y47-F104 HydrophobicContact CE1-CB 4.07Å; Y47-F104 HydrophobicContact CE1-CD1 4.37Å; Y47-F104 WeakPolarHBondContact CE1-O 3.39Å; Y47-F104 HydrophobicContact CG-CD1 4.34Å; Y47-F104 VanDerWaalsContact CZ-O 3.31Å; Y47-F104 PolarHBondContact OH-O 3.46Å; P87-F104 HydrophobicContact CB-CE1 3.92Å; P87-F104 HydrophobicContact CB-CZ 4.21Å; H88-F104 AromaticContact CE1-CE2 3.33Å; H88-F104 WeakPolarHBondContact CE1-CE2 3.49Å; H88-F104 AromaticContact CE1-CZ 3.37Å; H88-F104 WeakPolarHBondContact CE1-CZ 3.4Å; H88-F104 AromaticContact ND1-CE2 3.55Å; H88-F104 AromaticContact ND1-CZ 3.45Å; H88-F104 WeakPolarHBondContact ND1-CZ 3.48Å; H93-F104 AromaticContact CE1-CD1 3.8Å; H93-F104 AromaticContact CE1-CE1 3.64Å; H93-F104 AromaticContact NE2-CE1 3.79Å; P102-F104 HydrophobicContact CB-CE2 4.12Å; P102-F104 HydrophobicContact CB-CZ 4.21Å; P102-F104 HydrophobicContact CG-CD2 4.49Å; P102-F104 HydrophobicContact CG-CE2 3.6Å; P102-F104 HydrophobicContact CG-CZ 3.81Å; F104-C106 PolarHBondContact O-N 3.38Å; F104-C106 VanDerWaalsContact O-N 3.15Å; F104-Y182 PolarHBondContact N-OH 3Å
105D93.7Very high90.8Very high7 Ų748 Ų484%0.03725%0.252CS..SBendtrans-91.646.4179.5-60.6-114.1000109.6N103 I140 R169 Y182 T190N103-D105 PolarHBondContact OD1-N 3.13Å; D105-I140 HydrophobicContact CB-CD1 4.41Å; D105-R169 IonicContact OD1-CZ 3.87Å; D105-R169 IonicContact OD1-NH1 3.45Å; D105-R169 PolarHBondContact OD1-NH1 2.83Å; D105-R169 IonicContact OD1-NH2 3.95Å; D105-R169 IonicContact OD2-CZ 3.47Å; D105-R169 IonicContact OD2-NH1 2.69Å; D105-R169 IonicContact OD2-NH2 2.87Å; D105-R169 PolarHBondContact OD2-NH2 3.44Å; D105-Y182 PolarHBondContact N-OH 2.93Å; D105-Y182 WeakPolarHBondContact OD2-CE1 3.36Å; D105-Y182 PolarHBondContact OD2-OH 3.23Å; D105-T190 WeakPolarHBondContact O-CB 3.24Å; D105-T190 VanDerWaalsContact O-CG2 3.28Å; D105-T190 WeakPolarHBondContact O-CG2 3.4Å; D105-T190 PolarHBondContact O-OG1 3.47Å
106C93Very high90.8Very high18 Ų1845.3 Ų45.312%0.12224%0.243CC..SBendtrans-141158.7175.677.70000112.7N103 F104 S108 A109 L141N103-C106 PolarHBondContact O-SG 3.35Å; F104-C106 PolarHBondContact O-N 3.38Å; F104-C106 VanDerWaalsContact O-N 3.15Å; C106-S108 PolarHBondContact O-N 3.03Å; C106-S108 PolarHBondContact SG-OG 3.01Å; C106-S108 VanDerWaalsContact SG-OG 3.36Å; C106-A109 WeakPolarHBondContact O-CB 3.49Å; C106-A109 PolarHBondContact O-N 3.17Å; C106-L141 VanDerWaalsContact C-CD1 3.48Å; C106-L141 WeakPolarHBondContact O-CD1 3.36Å
107E93.3Very high90.7Very high70 Ų7047.5 Ų47.533%0.32726%0.257SS..G310 helixtrans-64.4-36-176.9-64.9-157.2121.800113.5A109 V110 W112 N144 K145E107-A109 PolarHBondContact O-N 3.1Å; E107-V110 PolarHBondContact O-N 3.47Å; E107-W112 PolarHBondContact O-NE1 3.3Å; E107-N144 VanDerWaalsContact OE1-CB 3.28Å; E107-N144 WeakPolarHBondContact OE1-CB 3.37Å; E107-K145 WeakPolarHBondContact OE1-CD 3.36Å; E107-K145 WeakPolarHBondContact OE1-CE 3.22Å; E107-K145 IonicContact OE1-NZ 3.18Å; E107-K145 PolarHBondContact OE1-NZ 2.77Å; E107-K145 IonicContact OE2-NZ 3.51Å; E107-K145 PolarHBondContact OE2-NZ 3.45Å
108S92.2Very high90.5Very high46 Ų4642 Ų4232%0.32222%0.221SC..G310 helixtrans-70.1-15.6-176.167.90000113.4W48 I94 C106 V110W48-S108 PolarHBondContact NE1-O 3.42Å; I94-S108 VanDerWaalsContact CD1-OG 3.22Å; I94-S108 WeakPolarHBondContact CD1-OG 3.42Å; I94-S108 WeakPolarHBondContact CG1-OG 3.2Å; C106-S108 PolarHBondContact O-N 3.03Å; C106-S108 PolarHBondContact SG-OG 3.01Å; C106-S108 VanDerWaalsContact SG-OG 3.36Å; S108-V110 PolarHBondContact O-N 3.49Å
109A91.8Very high90.6Very high0 Ų035.3 Ų35.30%019%0.186CC..G310 helixtrans-73.2-15.7178.300000113.1Y47 W48 H93 C106 E107Y47-A109 WeakPolarHBondContact CA-O 3.41Å; Y47-A109 HydrophobicContact CD1-CB 3.85Å; Y47-A109 WeakPolarHBondContact CD1-O 3.26Å; Y47-A109 HydrophobicContact CE1-CB 3.85Å; W48-A109 PolarHBondContact N-O 2.63Å; H93-A109 WeakPolarHBondContact ND1-CB 3.26Å; C106-A109 WeakPolarHBondContact O-CB 3.49Å; C106-A109 PolarHBondContact O-N 3.17Å; E107-A109 PolarHBondContact O-N 3.1Å
110V90.8Very high90.6Very high3 Ų336.4 Ų36.42%0.01819%0.186CC..BIsolated β-bridgetrans-108.3137.9-171.3-174.70000111.4M43 Y47 W48 E107 S108 W112 I115M43-V110 HydrophobicContact CE-CG2 4.24Å; M43-V110 HydrophobicContact CG-CG1 4.05Å; M43-V110 HydrophobicContact CG-CG2 4.49Å; M43-V110 HydrophobicContact SD-CG2 4.37Å; Y47-V110 HydrophobicContact CD1-CG2 3.98Å; Y47-V110 HydrophobicContact CE1-CG2 3.71Å; W48-V110 PolarHBondContact NE1-O 3.41Å; E107-V110 PolarHBondContact O-N 3.47Å; S108-V110 PolarHBondContact O-N 3.49Å; V110-W112 VanDerWaalsContact C-N 3.32Å; V110-W112 HydrophobicContact CB-CD2 4.17Å; V110-W112 HydrophobicContact CB-CH2 4.27Å; V110-W112 HydrophobicContact CB-CZ2 3.74Å; V110-W112 HydrophobicContact CG1-CD2 3.98Å; V110-W112 HydrophobicContact CG1-CE3 4.03Å; V110-W112 HydrophobicContact CG1-CH2 4.06Å; V110-W112 HydrophobicContact CG1-CZ2 4.01Å; V110-W112 HydrophobicContact CG1-CZ3 4.07Å; V110-W112 HydrophobicContact CG2-CH2 4.36Å; V110-W112 HydrophobicContact CG2-CZ2 3.94Å; V110-W112 PolarHBondContact O-N 2.78Å; V110-I115 HydrophobicContact CG1-CD1 3.89Å
111D90.3Very high90.4Very high17 Ų1733.9 Ų33.99%0.09117%0.172CC..  trans-75.579.8167.1-176.89.4000111.1Y46 W48 E113 G114 I115Y46-D111 HydrophobicContact CD1-CB 4.42Å; Y46-D111 WeakPolarHBondContact O-CB 3.23Å; Y46-D111 PolarHBondContact O-N 2.96Å; W48-D111 HydrophobicContact CD2-CB 4.03Å; W48-D111 HydrophobicContact CE3-CB 3.78Å; W48-D111 HydrophobicContact CH2-CB 3.48Å; W48-D111 VanDerWaalsContact CH2-CB 3.48Å; W48-D111 WeakPolarHBondContact CH2-OD1 3.42Å; W48-D111 HydrophobicContact CZ2-CB 3.72Å; W48-D111 HydrophobicContact CZ3-CB 3.49Å; W48-D111 VanDerWaalsContact CZ3-CB 3.49Å; W48-D111 VanDerWaalsContact CZ3-CG 3.4Å; D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 2.91Å; D111-E113 PolarHBondContact OD1-N 2.73Å; D111-G114 PolarHBondContact O-N 3.27Å; D111-G114 PolarHBondContact OD1-N 3.46Å; D111-I115 PolarHBondContact O-N 3.4Å
112W92.5Very high90.3Very high28 Ų2830 Ų3011%0.10615%0.153CC..Hα-helixtrans-64.2-33.7177.3-62.2110000112.8M43 E107 V110 G114 I115 I116 L141 I142 K145 L148M43-W112 HydrophobicContact CG-CH2 4.26Å; M43-W112 HydrophobicContact CG-CZ3 4.32Å; M43-W112 HydrophobicContact SD-CH2 3.9Å; M43-W112 HydrophobicContact SD-CZ3 4.49Å; E107-W112 PolarHBondContact O-NE1 3.3Å; V110-W112 VanDerWaalsContact C-N 3.32Å; V110-W112 HydrophobicContact CB-CD2 4.17Å; V110-W112 HydrophobicContact CB-CH2 4.27Å; V110-W112 HydrophobicContact CB-CZ2 3.74Å; V110-W112 HydrophobicContact CG1-CD2 3.98Å; V110-W112 HydrophobicContact CG1-CE3 4.03Å; V110-W112 HydrophobicContact CG1-CH2 4.06Å; V110-W112 HydrophobicContact CG1-CZ2 4.01Å; V110-W112 HydrophobicContact CG1-CZ3 4.07Å; V110-W112 HydrophobicContact CG2-CH2 4.36Å; V110-W112 HydrophobicContact CG2-CZ2 3.94Å; V110-W112 PolarHBondContact O-N 2.78Å; W112-G114 VanDerWaalsContact C-N 3.34Å; W112-I115 HydrophobicContact CE3-CD1 3.97Å; W112-I115 HydrophobicContact CZ3-CD1 3.99Å; W112-I115 PolarHBondContact O-N 2.9Å; W112-I116 WeakPolarHBondContact O-CB 3.35Å; W112-I116 WeakPolarHBondContact O-CD1 3.41Å; W112-I116 VanDerWaalsContact O-CG1 3.24Å; W112-I116 WeakPolarHBondContact O-CG1 3.48Å; W112-I116 PolarHBondContact O-N 2.97Å; W112-L141 HydrophobicContact CH2-CB 3.71Å; W112-L141 HydrophobicContact CZ2-CB 3.95Å; W112-I142 HydrophobicContact CZ3-CG2 4.39Å; W112-K145 VanDerWaalsContact CD1-CE 3.45Å; W112-K145 HydrophobicContact CD2-CD 4.38Å; W112-K145 HydrophobicContact CD2-CG 3.88Å; W112-K145 VanDerWaalsContact CE2-CE 3.43Å; W112-K145 HydrophobicContact CE3-CG 3.88Å; W112-K145 HydrophobicContact CG-CG 4.42Å; W112-K145 HydrophobicContact CH2-CG 4.46Å; W112-K145 HydrophobicContact CZ2-CG 4.47Å; W112-K145 HydrophobicContact CZ3-CG 4.18Å; W112-K145 VanDerWaalsContact NE1-CE 3.3Å; W112-L148 HydrophobicContact CE3-CD1 3.77Å; W112-L148 HydrophobicContact CZ3-CD1 3.75Å
113E89.6Confident90.2Very high148 Ų14832.4 Ų32.469%0.69217%0.17SC*.Hα-helixtrans-64.2-42.8178.7-173.3-179.2176.800110.4D111 I115 I116 T117D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 2.91Å; D111-E113 PolarHBondContact OD1-N 2.73Å; E113-I115 PolarHBondContact O-N 2.93Å; E113-I116 PolarHBondContact O-N 2.89Å; E113-T117 WeakPolarHBondContact O-CB 3.45Å; E113-T117 PolarHBondContact O-N 3.28Å; E113-T117 PolarHBondContact O-OG1 2.76Å
114G87.1Confident89.9Confident8 Ų837 Ų378%0.08219%0.192CC..Hα-helixtrans-59.7-42173.600000113Y46 D111 W112 F118Y46-G114 WeakPolarHBondContact CE1-O 3.49Å; D111-G114 PolarHBondContact O-N 3.27Å; D111-G114 PolarHBondContact OD1-N 3.46Å; W112-G114 VanDerWaalsContact C-N 3.34Å; G114-F118 WeakPolarHBondContact O-CB 3.44Å; G114-F118 PolarHBondContact O-N 2.83Å
115I89.3Confident89.4Confident0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-64.9-51.8176.2-66.1177.9000110.6L41 M43 Y46 V110 D111 W112 E113 T117 F118 M119 I137 L148L41-I115 HydrophobicContact CD2-CG2 4.02Å; M43-I115 HydrophobicContact CB-CD1 4.47Å; M43-I115 HydrophobicContact CG-CD1 4.01Å; Y46-I115 HydrophobicContact CD1-CG1 3.59Å; Y46-I115 HydrophobicContact CD2-CD1 4.13Å; Y46-I115 HydrophobicContact CD2-CG1 3.59Å; Y46-I115 HydrophobicContact CE1-CG1 3.97Å; Y46-I115 HydrophobicContact CE2-CG1 3.95Å; Y46-I115 HydrophobicContact CG-CD1 3.98Å; Y46-I115 HydrophobicContact CG-CG1 3.38Å; V110-I115 HydrophobicContact CG1-CD1 3.89Å; D111-I115 PolarHBondContact O-N 3.4Å; W112-I115 HydrophobicContact CE3-CD1 3.97Å; W112-I115 HydrophobicContact CZ3-CD1 3.99Å; W112-I115 PolarHBondContact O-N 2.9Å; E113-I115 PolarHBondContact O-N 2.93Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 3.3Å; I115-F118 PolarHBondContact O-N 2.87Å; I115-M119 HydrophobicContact CG2-SD 4.18Å; I115-M119 WeakPolarHBondContact O-CG 3.39Å; I115-M119 PolarHBondContact O-N 3.3Å; I115-I137 HydrophobicContact CG2-CD1 3.64Å; I115-L148 HydrophobicContact CG2-CD1 4.08Å; I115-L148 HydrophobicContact CG2-CD2 3.9Å
116I91Very high88.4Confident21 Ų2141.7 Ų41.711%0.10821%0.214CC..Hα-helixtrans-60.3-43.8-178.2-70.3162.1000110.4W112 E113 M119 K120 E147 L148W112-I116 WeakPolarHBondContact O-CB 3.35Å; W112-I116 WeakPolarHBondContact O-CD1 3.41Å; W112-I116 VanDerWaalsContact O-CG1 3.24Å; W112-I116 WeakPolarHBondContact O-CG1 3.48Å; W112-I116 PolarHBondContact O-N 2.97Å; E113-I116 PolarHBondContact O-N 2.89Å; I116-M119 PolarHBondContact O-N 3.05Å; I116-K120 HydrophobicContact CG2-CD 3.92Å; I116-K120 VanDerWaalsContact CG2-CE 3.47Å; I116-K120 HydrophobicContact CG2-CG 4.48Å; I116-K120 VanDerWaalsContact CG2-NZ 3.3Å; I116-K120 WeakPolarHBondContact O-CG 3.49Å; I116-K120 PolarHBondContact O-N 3.37Å; I116-E147 HydrophobicContact CD1-CG 4.48Å; I116-E147 WeakPolarHBondContact CD1-OE2 3.46Å; I116-E147 WeakPolarHBondContact CG2-OE1 3.26Å; I116-L148 HydrophobicContact CG1-CD2 3.59Å; I116-L148 HydrophobicContact CG1-CG 4.33Å
117T88.3Confident87.4Confident56 Ų5642.1 Ų42.134%0.34422%0.216SC..Hα-helixtrans-62.2-45.8177.6-60.70000111.1E113 I115 M119 K120 L121E113-T117 WeakPolarHBondContact O-CB 3.45Å; E113-T117 PolarHBondContact O-N 3.28Å; E113-T117 PolarHBondContact O-OG1 2.76Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 3.3Å; T117-M119 VanDerWaalsContact C-N 3.33Å; T117-M119 PolarHBondContact O-N 3.4Å; T117-K120 PolarHBondContact O-N 3.4Å; T117-L121 HydrophobicContact CG2-CD1 3.94Å; T117-L121 HydrophobicContact CG2-CG 4.36Å; T117-L121 WeakPolarHBondContact O-CB 3.36Å; T117-L121 WeakPolarHBondContact O-CG 3.5Å; T117-L121 PolarHBondContact O-N 2.95Å
118F89.2Confident86.2Confident7 Ų744.1 Ų44.13%0.03123%0.229CC..Hα-helixtrans-57.3-48.4175.3177.7-81.8000111.2T39 L41 I73 F76 G114 I115 K120 L121 W122 L135T39-F118 HydrophobicContact CG2-CE1 4.48Å; T39-F118 HydrophobicContact CG2-CZ 4.1Å; L41-F118 HydrophobicContact CB-CE1 4.38Å; L41-F118 HydrophobicContact CD1-CD1 3.69Å; L41-F118 HydrophobicContact CD1-CD2 4.29Å; L41-F118 HydrophobicContact CD1-CE1 3.79Å; L41-F118 HydrophobicContact CD1-CE2 4.36Å; L41-F118 HydrophobicContact CD1-CG 3.96Å; L41-F118 HydrophobicContact CD1-CZ 4.12Å; L41-F118 HydrophobicContact CD2-CD1 3.61Å; L41-F118 HydrophobicContact CD2-CE1 4.11Å; L41-F118 HydrophobicContact CD2-CG 4.33Å; L41-F118 HydrophobicContact CG-CD1 4.2Å; L41-F118 HydrophobicContact CG-CE1 4.34Å; I73-F118 HydrophobicContact CG2-CE2 4.02Å; I73-F118 HydrophobicContact CG2-CZ 4.43Å; F76-F118 HydrophobicContact CD1-CD2 4.15Å; F76-F118 HydrophobicContact CE1-CD2 4.35Å; G114-F118 WeakPolarHBondContact O-CB 3.44Å; G114-F118 PolarHBondContact O-N 2.83Å; I115-F118 PolarHBondContact O-N 2.87Å; F118-K120 VanDerWaalsContact C-N 3.35Å; F118-K120 PolarHBondContact O-N 3.48Å; F118-L121 PolarHBondContact O-N 2.96Å; F118-W122 HydrophobicContact CD1-CB 4.46Å; F118-W122 HydrophobicContact CE1-CB 4.22Å; F118-W122 HydrophobicContact CE1-CG 4.46Å; F118-W122 VanDerWaalsContact O-CB 3.26Å; F118-W122 WeakPolarHBondContact O-CB 3.31Å; F118-W122 PolarHBondContact O-N 3.22Å; F118-L135 HydrophobicContact CE1-CD1 4.12Å
119M90.9Very high85.1Confident3 Ų344.6 Ų44.62%0.01523%0.226CC..Hα-helixtrans-63.8-39.9-178.4-68.4-175.96700112.1V9 L41 I115 I116 T117 W122 S123 L135 I137 L148 M151V9-M119 HydrophobicContact CG1-CE 3.76Å; L41-M119 HydrophobicContact CD2-CG 3.95Å; I115-M119 HydrophobicContact CG2-SD 4.18Å; I115-M119 WeakPolarHBondContact O-CG 3.39Å; I115-M119 PolarHBondContact O-N 3.3Å; I116-M119 PolarHBondContact O-N 3.05Å; T117-M119 VanDerWaalsContact C-N 3.33Å; T117-M119 PolarHBondContact O-N 3.4Å; M119-W122 PolarHBondContact O-N 3.5Å; M119-S123 WeakPolarHBondContact O-CB 3.34Å; M119-S123 PolarHBondContact O-N 2.87Å; M119-L135 HydrophobicContact CE-CD2 4.16Å; M119-L135 HydrophobicContact CG-CD2 3.97Å; M119-I137 HydrophobicContact CE-CG2 4.46Å; M119-I137 HydrophobicContact SD-CD1 3.71Å; M119-L148 HydrophobicContact SD-CD2 3.64Å; M119-M151 HydrophobicContact CB-CE 3.38Å; M119-M151 HydrophobicContact CB-SD 4.29Å; M119-M151 HydrophobicContact CE-CB 3.68Å; M119-M151 HydrophobicContact CE-CE 4.23Å; M119-M151 HydrophobicContact CE-SD 4.3Å; M119-M151 HydrophobicContact SD-SD 4.44Å
120K89.3Confident83.9Confident89 Ų8952.3 Ų52.339%0.38726%0.262SS..Hα-helixtrans-62.4-49.5174.5-73.8173.8-178.7165.10111.3I116 T117 F118 W122 S123 E124 E147 M151I116-K120 HydrophobicContact CG2-CD 3.92Å; I116-K120 VanDerWaalsContact CG2-CE 3.47Å; I116-K120 HydrophobicContact CG2-CG 4.48Å; I116-K120 VanDerWaalsContact CG2-NZ 3.3Å; I116-K120 WeakPolarHBondContact O-CG 3.49Å; I116-K120 PolarHBondContact O-N 3.37Å; T117-K120 PolarHBondContact O-N 3.4Å; F118-K120 VanDerWaalsContact C-N 3.35Å; F118-K120 PolarHBondContact O-N 3.48Å; K120-W122 VanDerWaalsContact C-N 3.33Å; K120-W122 PolarHBondContact O-N 3.46Å; K120-S123 PolarHBondContact O-N 3.38Å; K120-S123 VanDerWaalsContact O-N 3.16Å; K120-E124 WeakPolarHBondContact O-CB 3.29Å; K120-E124 WeakPolarHBondContact O-CG 3.32Å; K120-E124 PolarHBondContact O-N 2.79Å; K120-E147 IonicContact NZ-OE1 2.76Å; K120-E147 PolarHBondContact NZ-OE1 3.5Å; K120-M151 HydrophobicContact CG-CE 3.95Å
121L85.4Confident83Confident53 Ų5356.1 Ų56.128%0.27728%0.28SS..Hα-helixtrans-63-38.4177.4-69.3174.6000112.7T117 F118 S123 E124 S125T117-L121 HydrophobicContact CG2-CD1 3.94Å; T117-L121 HydrophobicContact CG2-CG 4.36Å; T117-L121 WeakPolarHBondContact O-CB 3.36Å; T117-L121 WeakPolarHBondContact O-CG 3.5Å; T117-L121 PolarHBondContact O-N 2.95Å; F118-L121 PolarHBondContact O-N 2.96Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-E124 PolarHBondContact O-N 3.47Å; L121-S125 PolarHBondContact O-N 3.44Å
122W86.8Confident82.7Confident2 Ų255.7 Ų55.71%0.00828%0.277CS..Hα-helixtrans-62.2-42.9174.6-179.5100.9000110.9Q7 V9 T39 F118 M119 K120 S125 R133 L135Q7-W122 HydrophobicContact CB-CH2 4.13Å; Q7-W122 HydrophobicContact CB-CZ3 3.96Å; Q7-W122 HydrophobicContact CG-CH2 4.13Å; Q7-W122 HydrophobicContact CG-CZ3 3.95Å; V9-W122 HydrophobicContact CG2-CZ3 4.15Å; T39-W122 VanDerWaalsContact CB-NE1 3.33Å; T39-W122 PolarHBondContact OG1-NE1 3.18Å; T39-W122 VanDerWaalsContact OG1-NE1 3.07Å; F118-W122 HydrophobicContact CD1-CB 4.46Å; F118-W122 HydrophobicContact CE1-CB 4.22Å; F118-W122 HydrophobicContact CE1-CG 4.46Å; F118-W122 VanDerWaalsContact O-CB 3.26Å; F118-W122 WeakPolarHBondContact O-CB 3.31Å; F118-W122 PolarHBondContact O-N 3.22Å; M119-W122 PolarHBondContact O-N 3.5Å; K120-W122 VanDerWaalsContact C-N 3.33Å; K120-W122 PolarHBondContact O-N 3.46Å; W122-S125 PolarHBondContact O-N 3.4Å; W122-S125 PolarHBondContact O-OG 2.86Å; W122-R133 VanDerWaalsContact CD1-CZ 3.48Å; W122-R133 VanDerWaalsContact CD2-NH1 3.33Å; W122-R133 HydrophobicContact CH2-CG 4.33Å; W122-R133 HydrophobicContact CZ2-CB 4.49Å; W122-R133 HydrophobicContact CZ2-CG 3.72Å; W122-R133 PolarHBondContact O-NH1 2.89Å; W122-L135 HydrophobicContact CD2-CB 4.02Å; W122-L135 HydrophobicContact CD2-CD2 4.06Å; W122-L135 HydrophobicContact CD2-CG 4.44Å; W122-L135 HydrophobicContact CE3-CB 4.12Å; W122-L135 HydrophobicContact CE3-CD2 4.12Å; W122-L135 HydrophobicContact CG-CD2 4.33Å; W122-L135 HydrophobicContact CH2-CB 3.68Å; W122-L135 HydrophobicContact CZ2-CB 3.52Å; W122-L135 HydrophobicContact CZ3-CB 3.96Å
123S87.3Confident82.6Confident55 Ų5555.1 Ų55.139%0.38528%0.275SS..Hα-helixtrans-71.1-36.3178.6-177.80000112.4Q7 M119 K120 L121 S125Q7-S123 PolarHBondContact NE2-O 3.47Å; Q7-S123 PolarHBondContact OE1-O 3.19Å; Q7-S123 PolarHBondContact OE1-OG 3.1Å; M119-S123 WeakPolarHBondContact O-CB 3.34Å; M119-S123 PolarHBondContact O-N 2.87Å; K120-S123 PolarHBondContact O-N 3.38Å; K120-S123 VanDerWaalsContact O-N 3.16Å; L121-S123 VanDerWaalsContact C-N 3.33Å; S123-S125 PolarHBondContact O-N 3.41Å
124E84.9Confident82.7Confident108 Ų10848 Ų4851%0.50524%0.242SC..Hα-helixtrans-76.5-12.8177.5-70.3173.2-16900113.1R69 K120 L121 Q126R69-E124 PolarHBondContact NE-O 2.85Å; R69-E124 PolarHBondContact NH1-O 2.99Å; R69-E124 PolarHBondContact NH2-O 3Å; K120-E124 WeakPolarHBondContact O-CB 3.29Å; K120-E124 WeakPolarHBondContact O-CG 3.32Å; K120-E124 PolarHBondContact O-N 2.79Å; L121-E124 PolarHBondContact O-N 3.47Å; E124-Q126 PolarHBondContact O-N 3.23Å; E124-Q126 VanDerWaalsContact O-N 3.13Å
125S80.1Confident83.1Confident6 Ų647.7 Ų47.74%0.04224%0.238CC..  trans-66.9114.8-179.871.20000110.8L121 W122 S123 V127 R133L121-S125 PolarHBondContact O-N 3.44Å; W122-S125 PolarHBondContact O-N 3.4Å; W122-S125 PolarHBondContact O-OG 2.86Å; S123-S125 PolarHBondContact O-N 3.41Å; S125-V127 PolarHBondContact O-N 3.01Å; S125-V127 VanDerWaalsContact O-N 3.15Å; S125-R133 PolarHBondContact OG-NH1 3.12Å
126Q72.5Confident83.4Confident137 Ų13747.7 Ų47.764%0.6424%0.238SC*.  trans-78.1101.2177.1-68.1-163.8-1600109.3L4 E124L4-Q126 HydrophobicContact CD2-CB 3.8Å; L4-Q126 HydrophobicContact CD2-CG 3.69Å; E124-Q126 PolarHBondContact O-N 3.23Å; E124-Q126 VanDerWaalsContact O-N 3.13Å
127V72Confident83.7Confident27 Ų2746.7 Ų46.716%0.16423%0.233CC..  trans-106.9134.7172.7-174.70000107.3A5 S125 E129A5-V127 HydrophobicContact CB-CB 4.13Å; A5-V127 HydrophobicContact CB-CG1 4.45Å; A5-V127 VanDerWaalsContact CB-O 3.3Å; A5-V127 WeakPolarHBondContact CB-O 3.47Å; A5-V127 PolarHBondContact N-O 3.05Å; S125-V127 PolarHBondContact O-N 3.01Å; S125-V127 VanDerWaalsContact O-N 3.15Å; V127-E129 HydrophobicContact CG1-CG 3.81Å; V127-E129 WeakPolarHBondContact CG1-OE1 3.2Å
128L69.6Low84.1Confident112 Ų11244 Ų4459%0.58622%0.217SC*.BIsolated β-bridgetrans-97101.3174.4-71.7178.8000107.5D2D2-L128 HydrophobicContact CB-CB 3.85Å; D2-L128 HydrophobicContact CB-CD2 4.28Å; D2-L128 HydrophobicContact CB-CG 4.44Å
129E68.6Low84.5Confident56 Ų5643.7 Ų43.726%0.26222%0.215SC..  trans-144142177.6-78171.8-169.100109.3A5 N37 V127 Q131A5-E129 HydrophobicContact CB-CB 3.82Å; N37-E129 WeakPolarHBondContact CB-OE2 3.37Å; N37-E129 PolarHBondContact ND2-OE1 3.11Å; N37-E129 PolarHBondContact ND2-OE2 3.33Å; V127-E129 HydrophobicContact CG1-CG 3.81Å; V127-E129 WeakPolarHBondContact CG1-OE1 3.2Å; E129-Q131 VanDerWaalsContact C-N 3.3Å
130E66.1Low84.8Confident163 Ų16344.4 Ų44.476%0.76222%0.219SC*.SBendtrans-71.8-25.5175.9-65.3-171.6153.800112.5
131Q73.4Confident85.2Confident83 Ų8340.2 Ų40.239%0.38820%0.201SC..SBendtrans-95.7159.9179.6-66.7-152.114.600112.7G35 Y36 E129 R133G35-Q131 VanDerWaalsContact C-OE1 3.23Å; G35-Q131 PolarHBondContact O-OE1 3.33Å; Y36-Q131 HydrophobicContact CD1-CB 4.43Å; E129-Q131 VanDerWaalsContact C-N 3.3Å; Q131-R133 PolarHBondContact O-N 2.93Å
132I84Confident85.8Confident8 Ų837.7 Ų37.74%0.04119%0.188CC..PPolyproline II helixtrans-59.8130.3168.7-65.6-179.1000109.3R6 Y36 I134 I229 N233R6-I132 HydrophobicContact CB-CG1 3.83Å; R6-I132 CarbonylContact O-C 3.56Å; R6-I132 VanDerWaalsContact O-CA 3.32Å; R6-I132 WeakPolarHBondContact O-CA 3.47Å; Y36-I132 HydrophobicContact CD1-CB 4.37Å; Y36-I132 VanDerWaalsContact CD1-O 3.31Å; Y36-I132 WeakPolarHBondContact CD1-O 3.38Å; Y36-I132 HydrophobicContact CE1-CB 4.21Å; I132-I134 HydrophobicContact CG2-CG1 4Å; I132-I229 HydrophobicContact CD1-CG2 4.4Å; I132-N233 WeakPolarHBondContact CD1-ND2 3.3Å; I132-N233 WeakPolarHBondContact CD1-OD1 3.49Å
133R89.7Confident86.3Confident15 Ų1537.6 Ų37.66%0.05719%0.187CC..EExtended strand (participates in β ladder)trans-87.7131.4165.7-173.2-174.9172.3-135.811.9109.9A5 R6 Q7 Y8 N37 W122 S125 Q131A5-R133 HydrophobicContact CB-CB 4.33Å; R6-R133 PolarHBondContact O-N 3.4Å; Q7-R133 WeakPolarHBondContact CA-O 3.41Å; Y8-R133 PolarHBondContact N-O 3.11Å; N37-R133 HydrophobicContact CB-CG 4.12Å; W122-R133 VanDerWaalsContact CD1-CZ 3.48Å; W122-R133 VanDerWaalsContact CD2-NH1 3.33Å; W122-R133 HydrophobicContact CH2-CG 4.33Å; W122-R133 HydrophobicContact CZ2-CB 4.49Å; W122-R133 HydrophobicContact CZ2-CG 3.72Å; W122-R133 PolarHBondContact O-NH1 2.89Å; S125-R133 PolarHBondContact OG-NH1 3.12Å; Q131-R133 PolarHBondContact O-N 2.93Å
134I92.4Very high86.7Confident0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-112.4131.8-171.8-57.9176.4000110.6Y8 I10 L31 Y36 N37 V38 T39 I132 I136 I229Y8-I134 CarbonylContact O-C 3.54Å; Y8-I134 VanDerWaalsContact O-CA 3.25Å; Y8-I134 WeakPolarHBondContact O-CA 3.44Å; I10-I134 HydrophobicContact CD1-CG2 3.8Å; I10-I134 HydrophobicContact CG1-CG2 4.17Å; L31-I134 HydrophobicContact CD1-CD1 4Å; L31-I134 HydrophobicContact CD1-CG2 4.44Å; L31-I134 HydrophobicContact CD2-CD1 4.34Å; Y36-I134 HydrophobicContact CD1-CD1 3.88Å; Y36-I134 HydrophobicContact CD1-CG1 4.45Å; Y36-I134 HydrophobicContact CD2-CD1 4.05Å; Y36-I134 HydrophobicContact CE1-CD1 4.49Å; Y36-I134 HydrophobicContact CG-CD1 3.63Å; N37-I134 PolarHBondContact O-N 3.36Å; V38-I134 CarbonylContact C-O 3.55Å; V38-I134 WeakPolarHBondContact CA-O 3.41Å; V38-I134 HydrophobicContact CG2-CB 4.35Å; T39-I134 PolarHBondContact N-O 3.01Å; I132-I134 HydrophobicContact CG2-CG1 4Å; I134-I136 HydrophobicContact CG2-CG1 4.07Å; I134-I229 HydrophobicContact CD1-CD1 3.61Å
135L94.2Very high87.2Confident0 Ų033.4 Ų33.40%016%0.162CC..EExtended strand (participates in β ladder)trans-106.1125.5165.8179.361000109.1Y8 V9 I10 T39 L41 F118 M119 W122Y8-L135 PolarHBondContact O-N 3.28Å; V9-L135 CarbonylContact C-O 3.58Å; V9-L135 WeakPolarHBondContact CA-O 3.48Å; V9-L135 HydrophobicContact CG1-CB 4.4Å; V9-L135 HydrophobicContact CG1-CD2 4.3Å; V9-L135 HydrophobicContact CG1-CG 4.48Å; V9-L135 HydrophobicContact CG2-CB 4.24Å; I10-L135 PolarHBondContact N-O 2.99Å; T39-L135 HydrophobicContact CG2-CD1 3.94Å; T39-L135 CarbonylContact O-C 3.48Å; T39-L135 WeakPolarHBondContact O-CA 3.39Å; L41-L135 HydrophobicContact CB-CD1 4.2Å; F118-L135 HydrophobicContact CE1-CD1 4.12Å; M119-L135 HydrophobicContact CE-CD2 4.16Å; M119-L135 HydrophobicContact CG-CD2 3.97Å; W122-L135 HydrophobicContact CD2-CB 4.02Å; W122-L135 HydrophobicContact CD2-CD2 4.06Å; W122-L135 HydrophobicContact CD2-CG 4.44Å; W122-L135 HydrophobicContact CE3-CB 4.12Å; W122-L135 HydrophobicContact CE3-CD2 4.12Å; W122-L135 HydrophobicContact CG-CD2 4.33Å; W122-L135 HydrophobicContact CH2-CB 3.68Å; W122-L135 HydrophobicContact CZ2-CB 3.52Å; W122-L135 HydrophobicContact CZ3-CB 3.96Å
136I96.5Very high87.9Confident0 Ų039 Ų390%019%0.188CC..EExtended strand (participates in β ladder)trans-106.6111.3169.1-50176000108.2I10 I12 T24 L27 A28 L31 V38 T39 C40 L41 I134I10-I136 HydrophobicContact CB-CG1 4.39Å; I10-I136 HydrophobicContact CD1-CG1 4.5Å; I10-I136 CarbonylContact O-C 3.59Å; I10-I136 VanDerWaalsContact O-CA 3.32Å; I10-I136 WeakPolarHBondContact O-CA 3.37Å; I12-I136 HydrophobicContact CD1-CG2 3.73Å; I12-I136 HydrophobicContact CG1-CG2 4.07Å; T24-I136 HydrophobicContact CG2-CB 4.3Å; T24-I136 HydrophobicContact CG2-CG2 3.81Å; L27-I136 HydrophobicContact CD2-CD1 4.07Å; L27-I136 HydrophobicContact CG-CD1 4.17Å; A28-I136 HydrophobicContact CB-CD1 4.26Å; L31-I136 HydrophobicContact CD1-CD1 4.22Å; V38-I136 HydrophobicContact CG1-CD1 3.67Å; V38-I136 HydrophobicContact CG1-CG1 3.94Å; T39-I136 PolarHBondContact O-N 2.95Å; C40-I136 CarbonylContact C-O 3.57Å; C40-I136 WeakPolarHBondContact CA-O 3.13Å; L41-I136 PolarHBondContact N-O 3.27Å; I134-I136 HydrophobicContact CG2-CG1 4.07Å
137I96.8Very high89Confident0 Ų036.8 Ų36.80%018%0.178CC..EExtended strand (participates in β ladder)trans-100.3131.4170.8-178.9178000109.5V9 I10 G11 I12 L41 I115 M119 I142 M152V9-I137 HydrophobicContact CG1-CG2 4.38Å; I10-I137 PolarHBondContact O-N 2.84Å; G11-I137 CarbonylContact C-O 3.58Å; G11-I137 WeakPolarHBondContact CA-O 3.28Å; I12-I137 PolarHBondContact N-O 3.2Å; L41-I137 HydrophobicContact CB-CB 4.28Å; L41-I137 HydrophobicContact CB-CG1 4.32Å; L41-I137 HydrophobicContact CD2-CD1 3.98Å; L41-I137 HydrophobicContact CD2-CG1 4.12Å; L41-I137 HydrophobicContact CG-CG1 4.4Å; L41-I137 CarbonylContact O-C 3.53Å; L41-I137 WeakPolarHBondContact O-CA 3.44Å; I115-I137 HydrophobicContact CG2-CD1 3.64Å; M119-I137 HydrophobicContact CE-CG2 4.46Å; M119-I137 HydrophobicContact SD-CD1 3.71Å; I137-I142 HydrophobicContact CD1-CB 4.35Å; I137-I142 HydrophobicContact CD1-CG2 4.02Å; I137-I142 HydrophobicContact CG1-CD1 4.04Å; I137-I142 HydrophobicContact CG1-CG2 4.16Å; I137-I142 HydrophobicContact CG2-CD1 4.21Å; I137-I142 VanDerWaalsContact O-CD1 3.32Å; I137-I142 WeakPolarHBondContact O-CD1 3.38Å; I137-M152 HydrophobicContact CG2-CE 3.83Å; I137-M152 HydrophobicContact CG2-CG 4.42Å
138E97.1Very high90.2Very high0 Ų035.5 Ų35.50%017%0.17CC..EExtended strand (participates in β ladder)trans-129.8146.517974.191176.800112.8I12 K20 T21 T24 L41 Q42 M43I12-E138 HydrophobicContact CB-CB 4.22Å; I12-E138 WeakPolarHBondContact O-CA 3.18Å; I12-E138 WeakPolarHBondContact O-CB 3.42Å; K20-E138 WeakPolarHBondContact CB-OE2 3.42Å; T21-E138 PolarHBondContact OG1-OE1 2.78Å; T24-E138 HydrophobicContact CG2-CG 4.28Å; T24-E138 WeakPolarHBondContact OG1-CB 3.47Å; L41-E138 PolarHBondContact O-N 2.96Å; Q42-E138 HydrophobicContact CB-CG 4.5Å; Q42-E138 HydrophobicContact CG-CG 4.22Å; Q42-E138 PolarHBondContact NE2-OE1 3.13Å; M43-E138 VanDerWaalsContact CB-O 3.29Å; M43-E138 WeakPolarHBondContact CB-O 3.24Å; M43-E138 PolarHBondContact N-O 2.81Å
139G96.8Very high91.5Very high0 Ų030.9 Ų30.90%015%0.145CC..EExtended strand (participates in β ladder)trans169.8162.5175.800000114.3I12 A13 L141I12-G139 PolarHBondContact O-N 2.78Å; A13-G139 VanDerWaalsContact CA-O 3.3Å; A13-G139 WeakPolarHBondContact CA-O 3.38Å; G139-L141 VanDerWaalsContact C-N 3.3Å; G139-L141 PolarHBondContact O-N 3.1Å
140I97.2Very high92.8Very high18 Ų1833.3 Ų33.39%0.09216%0.16CC..SBendtrans-70.9-24.7-178.352.5157.4000113.3M43 D105M43-I140 HydrophobicContact CE-CD1 4.3Å; M43-I140 HydrophobicContact CE-CG1 3.43Å; M43-I140 VanDerWaalsContact CE-CG1 3.43Å; M43-I140 HydrophobicContact SD-CG1 4.21Å; D105-I140 HydrophobicContact CB-CD1 4.41Å
141L97.6Very high94.3Very high2 Ų227.9 Ų27.91%0.0114%0.135CC..SBendtrans-124.70-171.7-65.5172.6000114.3M43 C106 W112 G139 M143 N144 T190M43-L141 HydrophobicContact SD-CB 3.84Å; M43-L141 PolarHBondContact SD-N 3.09Å; C106-L141 VanDerWaalsContact C-CD1 3.48Å; C106-L141 WeakPolarHBondContact O-CD1 3.36Å; W112-L141 HydrophobicContact CH2-CB 3.71Å; W112-L141 HydrophobicContact CZ2-CB 3.95Å; G139-L141 VanDerWaalsContact C-N 3.3Å; G139-L141 PolarHBondContact O-N 3.1Å; L141-M143 PolarHBondContact O-N 3.06Å; L141-M143 VanDerWaalsContact O-N 3.09Å; L141-N144 VanDerWaalsContact CD2-ND2 3.32Å; L141-N144 WeakPolarHBondContact CD2-ND2 3.31Å; L141-N144 WeakPolarHBondContact O-CB 3.47Å; L141-N144 PolarHBondContact O-N 2.94Å; L141-T190 HydrophobicContact CD2-CG2 3.57Å
142I97.7Very high95.4Very high0 Ų024 Ų240%012%0.117CC..THydrogen-bonded Turntrans-59.1-28.7-173.459.9168.4000113.2A13 M43 W112 I137 L148 M152A13-I142 HydrophobicContact CB-CD1 4.31Å; A13-I142 HydrophobicContact CB-CG1 3.87Å; M43-I142 HydrophobicContact CB-CG2 3.73Å; M43-I142 HydrophobicContact CG-CG2 3.81Å; M43-I142 HydrophobicContact SD-CG2 4.05Å; W112-I142 HydrophobicContact CZ3-CG2 4.39Å; I137-I142 HydrophobicContact CD1-CB 4.35Å; I137-I142 HydrophobicContact CD1-CG2 4.02Å; I137-I142 HydrophobicContact CG1-CD1 4.04Å; I137-I142 HydrophobicContact CG1-CG2 4.16Å; I137-I142 HydrophobicContact CG2-CD1 4.21Å; I137-I142 VanDerWaalsContact O-CD1 3.32Å; I137-I142 WeakPolarHBondContact O-CD1 3.38Å; I142-L148 HydrophobicContact CB-CD1 4.36Å; I142-L148 WeakPolarHBondContact O-CB 3.33Å; I142-M152 HydrophobicContact CB-CE 4.31Å; I142-M152 HydrophobicContact CD1-CE 4.03Å; I142-M152 HydrophobicContact CG1-CE 4.29Å
143M97.3Very high96Very high0 Ų027.9 Ų27.90%014%0.138CC..THydrogen-bonded Turntrans-87-5.2178.1-69.4-173.5-173.500113.4G11 A13 L141 K145 R149 M152 R155 I156 F157 L198G11-M143 VanDerWaalsContact O-CE 3.3Å; G11-M143 WeakPolarHBondContact O-CE 3.11Å; A13-M143 HydrophobicContact CB-CB 4.13Å; A13-M143 HydrophobicContact CB-CE 3.81Å; A13-M143 HydrophobicContact CB-CG 3.6Å; A13-M143 HydrophobicContact CB-SD 3.64Å; L141-M143 PolarHBondContact O-N 3.06Å; L141-M143 VanDerWaalsContact O-N 3.09Å; M143-K145 PolarHBondContact O-N 2.94Å; M143-R149 HydrophobicContact CB-CG 4.2Å; M143-R149 HydrophobicContact CG-CG 4.42Å; M143-R149 WeakPolarHBondContact O-CD 3.15Å; M143-R149 WeakPolarHBondContact O-CG 3.24Å; M143-R149 PolarHBondContact O-NH1 3.17Å; M143-M152 HydrophobicContact CE-SD 4.45Å; M143-M152 HydrophobicContact CG-SD 4.39Å; M143-R155 HydrophobicContact CE-CB 3.58Å; M143-R155 HydrophobicContact CE-CG 4.27Å; M143-R155 HydrophobicContact SD-CB 4.23Å; M143-I156 WeakPolarHBondContact CE-O 3.5Å; M143-F157 HydrophobicContact SD-CD2 4.12Å; M143-L198 HydrophobicContact CB-CD1 4.3Å; M143-L198 HydrophobicContact CB-CD2 3.69Å; M143-L198 HydrophobicContact SD-CD1 4.34Å
144N96.2Very high96.4Very high22 Ų2227.3 Ų27.312%0.11814%0.136CC..THydrogen-bonded Turntrans-70.5-28.8172.5-67.816.2000110.8E107 L141 M146 R149 T194E107-N144 VanDerWaalsContact OE1-CB 3.28Å; E107-N144 WeakPolarHBondContact OE1-CB 3.37Å; L141-N144 VanDerWaalsContact CD2-ND2 3.32Å; L141-N144 WeakPolarHBondContact CD2-ND2 3.31Å; L141-N144 WeakPolarHBondContact O-CB 3.47Å; L141-N144 PolarHBondContact O-N 2.94Å; N144-M146 PolarHBondContact O-N 2.82Å; N144-R149 PolarHBondContact O-NH1 3.1Å; N144-T194 PolarHBondContact ND2-OG1 3.03Å; N144-T194 VanDerWaalsContact ND2-OG1 3.07Å; N144-T194 WeakPolarHBondContact OD1-CB 3.2Å; N144-T194 WeakPolarHBondContact OD1-CG2 3.37Å; N144-T194 PolarHBondContact OD1-OG1 3.29Å
145K95.6Very high96.7Very high53 Ų5329.1 Ų29.123%0.2314%0.142CC..  trans-82.3114.5177.6-60.7-53.1-174.2-167.90111.5E107 W112 M143 E147 L148 R149E107-K145 WeakPolarHBondContact OE1-CD 3.36Å; E107-K145 WeakPolarHBondContact OE1-CE 3.22Å; E107-K145 IonicContact OE1-NZ 3.18Å; E107-K145 PolarHBondContact OE1-NZ 2.77Å; E107-K145 IonicContact OE2-NZ 3.51Å; E107-K145 PolarHBondContact OE2-NZ 3.45Å; W112-K145 VanDerWaalsContact CD1-CE 3.45Å; W112-K145 HydrophobicContact CD2-CD 4.38Å; W112-K145 HydrophobicContact CD2-CG 3.88Å; W112-K145 VanDerWaalsContact CE2-CE 3.43Å; W112-K145 HydrophobicContact CE3-CG 3.88Å; W112-K145 HydrophobicContact CG-CG 4.42Å; W112-K145 HydrophobicContact CH2-CG 4.46Å; W112-K145 HydrophobicContact CZ2-CG 4.47Å; W112-K145 HydrophobicContact CZ3-CG 4.18Å; W112-K145 VanDerWaalsContact NE1-CE 3.3Å; M143-K145 PolarHBondContact O-N 2.94Å; K145-E147 VanDerWaalsContact C-N 3.28Å; K145-E147 PolarHBondContact O-N 2.97Å; K145-L148 HydrophobicContact CB-CB 4.05Å; K145-L148 HydrophobicContact CB-CD1 4.05Å; K145-L148 HydrophobicContact CB-CG 3.9Å; K145-L148 HydrophobicContact CG-CD1 4.31Å; K145-L148 PolarHBondContact O-N 3.24Å; K145-R149 WeakPolarHBondContact O-CG 3.33Å; K145-R149 PolarHBondContact O-N 3.44Å
146M95.2Very high96.9Very high122 Ų12229.1 Ų29.160%0.60114%0.142SC*.Hα-helixtrans-58.4-40.2175.6-173.8176.971.900112.2N144 L148 R149 N150N144-M146 PolarHBondContact O-N 2.82Å; M146-L148 PolarHBondContact O-N 2.69Å; M146-R149 PolarHBondContact O-N 3.43Å; M146-N150 PolarHBondContact O-N 3.37Å; M146-N150 PolarHBondContact O-OD1 2.93Å
147E95.6Very high97Very high91 Ų9129.1 Ų29.143%0.42514%0.142SC..Hα-helixtrans-58.1-47.4176.7-173.3174.1-179.600111.4I116 K120 K145 R149 N150 M151I116-E147 HydrophobicContact CD1-CG 4.48Å; I116-E147 WeakPolarHBondContact CD1-OE2 3.46Å; I116-E147 WeakPolarHBondContact CG2-OE1 3.26Å; K120-E147 IonicContact NZ-OE1 2.76Å; K120-E147 PolarHBondContact NZ-OE1 3.5Å; K145-E147 VanDerWaalsContact C-N 3.28Å; K145-E147 PolarHBondContact O-N 2.97Å; E147-R149 PolarHBondContact O-N 3.12Å; E147-N150 PolarHBondContact O-N 3.36Å; E147-M151 WeakPolarHBondContact O-CG 3.49Å; E147-M151 PolarHBondContact O-N 3.38Å
148L97Very high97Very high0 Ų029.1 Ų29.10%014%0.142CC..Hα-helixtrans-64.4-42176.7-66.4-174.9000112W112 I115 I116 M119 I142 K145 M146 N150 M151 M152W112-L148 HydrophobicContact CE3-CD1 3.77Å; W112-L148 HydrophobicContact CZ3-CD1 3.75Å; I115-L148 HydrophobicContact CG2-CD1 4.08Å; I115-L148 HydrophobicContact CG2-CD2 3.9Å; I116-L148 HydrophobicContact CG1-CD2 3.59Å; I116-L148 HydrophobicContact CG1-CG 4.33Å; M119-L148 HydrophobicContact SD-CD2 3.64Å; I142-L148 HydrophobicContact CB-CD1 4.36Å; I142-L148 WeakPolarHBondContact O-CB 3.33Å; K145-L148 HydrophobicContact CB-CB 4.05Å; K145-L148 HydrophobicContact CB-CD1 4.05Å; K145-L148 HydrophobicContact CB-CG 3.9Å; K145-L148 HydrophobicContact CG-CD1 4.31Å; K145-L148 PolarHBondContact O-N 3.24Å; M146-L148 PolarHBondContact O-N 2.69Å; L148-N150 VanDerWaalsContact C-N 3.25Å; L148-N150 PolarHBondContact O-N 3.39Å; L148-M151 HydrophobicContact CD2-SD 4.44Å; L148-M151 PolarHBondContact O-N 2.86Å; L148-M151 VanDerWaalsContact O-N 3.07Å; L148-M152 HydrophobicContact CB-CE 3.97Å; L148-M152 WeakPolarHBondContact O-CG 3.39Å; L148-M152 PolarHBondContact O-N 3.06Å
149R96.8Very high97.1Very high16 Ų1633.2 Ų33.26%0.0616%0.16CC..Hα-helixtrans-58.6-39.8175.9-69-161.6-53.9-81.72.7111.5M143 N144 K145 M146 E147 M151 M152 R155 D203M143-R149 HydrophobicContact CB-CG 4.2Å; M143-R149 HydrophobicContact CG-CG 4.42Å; M143-R149 WeakPolarHBondContact O-CD 3.15Å; M143-R149 WeakPolarHBondContact O-CG 3.24Å; M143-R149 PolarHBondContact O-NH1 3.17Å; N144-R149 PolarHBondContact O-NH1 3.1Å; K145-R149 WeakPolarHBondContact O-CG 3.33Å; K145-R149 PolarHBondContact O-N 3.44Å; M146-R149 PolarHBondContact O-N 3.43Å; E147-R149 PolarHBondContact O-N 3.12Å; R149-M151 PolarHBondContact O-N 3.37Å; R149-M152 PolarHBondContact O-N 3.45Å; R149-M152 VanDerWaalsContact O-N 3.12Å; R149-R155 VanDerWaalsContact O-CZ 3.24Å; R149-R155 PolarHBondContact O-NE 3.22Å; R149-R155 PolarHBondContact O-NH2 3.24Å; R149-D203 WeakPolarHBondContact CD-OD2 3.49Å; R149-D203 IonicContact CZ-OD2 3.39Å; R149-D203 IonicContact NE-OD2 3.68Å; R149-D203 PolarHBondContact NE-OD2 2.93Å; R149-D203 IonicContact NH2-OD2 3.69Å; R149-D203 PolarHBondContact NH2-OD2 2.85Å
150N96.4Very high97Very high107 Ų10733.6 Ų33.657%0.57216%0.162SC*.Hα-helixtrans-67.8-22.2179-68.1-11.3000113M146 E147 L148M146-N150 PolarHBondContact O-N 3.37Å; M146-N150 PolarHBondContact O-OD1 2.93Å; E147-N150 PolarHBondContact O-N 3.36Å; L148-N150 VanDerWaalsContact C-N 3.25Å; L148-N150 PolarHBondContact O-N 3.39Å
151M96.5Very high97Very high48 Ų4835.3 Ų35.324%0.23617%0.174CC..THydrogen-bonded Turntrans-86.1-5.8174.4-60175.178.600113.4V9 M119 K120 E147 L148 R149V9-M151 VanDerWaalsContact CB-O 3.22Å; V9-M151 WeakPolarHBondContact CB-O 3.5Å; V9-M151 WeakPolarHBondContact CG1-O 3.31Å; V9-M151 WeakPolarHBondContact CG2-O 3.49Å; M119-M151 HydrophobicContact CB-CE 3.38Å; M119-M151 HydrophobicContact CB-SD 4.29Å; M119-M151 HydrophobicContact CE-CB 3.68Å; M119-M151 HydrophobicContact CE-CE 4.23Å; M119-M151 HydrophobicContact CE-SD 4.3Å; M119-M151 HydrophobicContact SD-SD 4.44Å; K120-M151 HydrophobicContact CG-CE 3.95Å; E147-M151 WeakPolarHBondContact O-CG 3.49Å; E147-M151 PolarHBondContact O-N 3.38Å; L148-M151 HydrophobicContact CD2-SD 4.44Å; L148-M151 PolarHBondContact O-N 2.86Å; L148-M151 VanDerWaalsContact O-N 3.07Å; R149-M151 PolarHBondContact O-N 3.37Å
152M97.7Very high96.9Very high3 Ų339 Ų392%0.01519%0.188CC..  trans-98.4131.1179.9-63.1164-165.800111.1V9 I137 I142 M143 L148 R149 R155V9-M152 HydrophobicContact CG1-CB 4.49Å; V9-M152 HydrophobicContact CG1-CG 4.15Å; I137-M152 HydrophobicContact CG2-CE 3.83Å; I137-M152 HydrophobicContact CG2-CG 4.42Å; I142-M152 HydrophobicContact CB-CE 4.31Å; I142-M152 HydrophobicContact CD1-CE 4.03Å; I142-M152 HydrophobicContact CG1-CE 4.29Å; M143-M152 HydrophobicContact CE-SD 4.45Å; M143-M152 HydrophobicContact CG-SD 4.39Å; L148-M152 HydrophobicContact CB-CE 3.97Å; L148-M152 WeakPolarHBondContact O-CG 3.39Å; L148-M152 PolarHBondContact O-N 3.06Å; R149-M152 PolarHBondContact O-N 3.45Å; R149-M152 VanDerWaalsContact O-N 3.12Å; M152-R155 HydrophobicContact CB-CG 3.89Å; M152-R155 PolarHBondContact O-NH2 3.07Å; M152-R155 HydrophobicContact SD-CG 4.08Å
153D96.8Very high96.9Very high88 Ų8844.9 Ų44.947%0.47122%0.215SC..SBendtrans-82.3-37172.3-58.7-67.6000111.7Y8 V9Y8-D153 WeakPolarHBondContact CA-OD2 3.37Å; Y8-D153 HydrophobicContact CD1-CB 4.42Å; Y8-D153 HydrophobicContact CD2-CB 3.73Å; Y8-D153 HydrophobicContact CE1-CB 4.15Å; Y8-D153 HydrophobicContact CE2-CB 3.41Å; Y8-D153 VanDerWaalsContact CE2-CB 3.41Å; Y8-D153 HydrophobicContact CG-CB 4.23Å; V9-D153 PolarHBondContact N-OD2 3.34Å; V9-D153 PolarHBondContact O-N 3.27Å
154L98.1Very high96.8Very high3 Ų347.2 Ų47.22%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-124.3127.4176.9178.455.8000110.5Y8 V9 I10 G11 I156 Y206 V225 K228Y8-L154 HydrophobicContact CE1-CB 3.92Å; V9-L154 PolarHBondContact O-N 3.34Å; V9-L154 VanDerWaalsContact O-N 3.1Å; I10-L154 CarbonylContact C-O 3.53Å; I10-L154 WeakPolarHBondContact CA-O 3.3Å; I10-L154 HydrophobicContact CG1-CB 4.36Å; I10-L154 HydrophobicContact CG1-CD2 4.48Å; I10-L154 HydrophobicContact CG2-CB 4.42Å; I10-L154 HydrophobicContact CG2-CD2 4.23Å; I10-L154 HydrophobicContact CG2-CG 4.34Å; G11-L154 PolarHBondContact N-O 3.48Å; L154-I156 HydrophobicContact CD1-CG1 4.35Å; L154-I156 HydrophobicContact CD2-CD1 4Å; L154-I156 HydrophobicContact CD2-CG1 4.34Å; L154-I156 HydrophobicContact CG-CD1 4.25Å; L154-I156 HydrophobicContact CG-CG1 4.06Å; L154-Y206 HydrophobicContact CD1-CD2 3.53Å; L154-Y206 HydrophobicContact CD1-CE2 3.8Å; L154-Y206 HydrophobicContact CD1-CG 4.36Å; L154-V225 HydrophobicContact CD2-CB 4.5Å; L154-V225 HydrophobicContact CD2-CG2 3.86Å; L154-K228 HydrophobicContact CD1-CG 4.03Å; L154-K228 HydrophobicContact CD2-CB 4.21Å; L154-K228 HydrophobicContact CD2-CG 4.29Å
155R98.3Very high96.8Very high38 Ų3846.2 Ų46.214%0.14322%0.223CC..EExtended strand (participates in β ladder)trans-115.7109179.3-59.5177.3-160.284.25.1109.4M143 R149 M152 I205 Y206M143-R155 HydrophobicContact CE-CB 3.58Å; M143-R155 HydrophobicContact CE-CG 4.27Å; M143-R155 HydrophobicContact SD-CB 4.23Å; R149-R155 VanDerWaalsContact O-CZ 3.24Å; R149-R155 PolarHBondContact O-NE 3.22Å; R149-R155 PolarHBondContact O-NH2 3.24Å; M152-R155 HydrophobicContact CB-CG 3.89Å; M152-R155 PolarHBondContact O-NH2 3.07Å; M152-R155 HydrophobicContact SD-CG 4.08Å; R155-I205 HydrophobicContact CB-CG1 4.06Å; R155-I205 CarbonylContact O-C 3.55Å; R155-I205 WeakPolarHBondContact O-CA 3.02Å; R155-Y206 PolarHBondContact O-N 3.44Å
156I98.4Very high96.8Very high0 Ų045.6 Ų45.60%022%0.222CC..EExtended strand (participates in β ladder)trans-106.1132.2177-67.4175.5000109.4I10 G11 I12 A13 M143 L154 L158 Y206 F208 I221 V225I10-I156 HydrophobicContact CG2-CD1 4.25Å; G11-I156 PolarHBondContact O-N 2.72Å; I12-I156 WeakPolarHBondContact CA-O 3.5Å; I12-I156 HydrophobicContact CG1-CB 4.37Å; I12-I156 HydrophobicContact CG2-CG2 4.41Å; A13-I156 PolarHBondContact N-O 2.97Å; M143-I156 WeakPolarHBondContact CE-O 3.5Å; L154-I156 HydrophobicContact CD1-CG1 4.35Å; L154-I156 HydrophobicContact CD2-CD1 4Å; L154-I156 HydrophobicContact CD2-CG1 4.34Å; L154-I156 HydrophobicContact CG-CD1 4.25Å; L154-I156 HydrophobicContact CG-CG1 4.06Å; I156-L158 HydrophobicContact CG2-CD2 3.93Å; I156-Y206 CarbonylContact C-O 3.55Å; I156-Y206 WeakPolarHBondContact CA-O 3.28Å; I156-F208 HydrophobicContact CD1-CE2 4.5Å; I156-F208 HydrophobicContact CG1-CE2 4.16Å; I156-F208 HydrophobicContact CG2-CD2 3.71Å; I156-F208 HydrophobicContact CG2-CE2 3.87Å; I156-I221 HydrophobicContact CD1-CG2 4.11Å; I156-V225 HydrophobicContact CD1-CG2 3.83Å
157F98.2Very high96.8Very high0 Ų045.4 Ų45.40%022%0.219CC..EExtended strand (participates in β ladder)trans-127.3119.8177.9-166.4-81.4000112A13 M143 K159 Y191 T194 L195 L198 I205 Y206 Y207 F208A13-F157 HydrophobicContact CB-CD2 3.74Å; A13-F157 HydrophobicContact CB-CE2 4.09Å; A13-F157 WeakPolarHBondContact O-CA 3.44Å; M143-F157 HydrophobicContact SD-CD2 4.12Å; F157-K159 HydrophobicContact CD1-CG 4.06Å; F157-K159 HydrophobicContact CE1-CG 4.32Å; F157-Y191 AromaticContact CE1-CE2 3.72Å; F157-Y191 HydrophobicContact CE1-CE2 3.72Å; F157-Y191 HydrophobicContact CZ-CD2 4.25Å; F157-Y191 AromaticContact CZ-CE2 3.9Å; F157-Y191 HydrophobicContact CZ-CE2 3.9Å; F157-T194 HydrophobicContact CE2-CG2 3.49Å; F157-T194 VanDerWaalsContact CE2-CG2 3.49Å; F157-T194 HydrophobicContact CZ-CG2 3.8Å; F157-L195 HydrophobicContact CD1-CD2 4.16Å; F157-L195 HydrophobicContact CE1-CD2 3.47Å; F157-L195 VanDerWaalsContact CE1-CD2 3.47Å; F157-L195 HydrophobicContact CE1-CG 4.35Å; F157-L195 HydrophobicContact CZ-CD2 3.96Å; F157-L195 HydrophobicContact CZ-CG 4.5Å; F157-L198 HydrophobicContact CD2-CD1 3.32Å; F157-L198 HydrophobicContact CE2-CD1 3.42Å; F157-L198 VanDerWaalsContact CE2-CD1 3.42Å; F157-L198 HydrophobicContact CG-CD1 4.1Å; F157-L198 HydrophobicContact CZ-CD1 4.23Å; F157-I205 HydrophobicContact CB-CG2 3.66Å; F157-Y206 PolarHBondContact N-O 3.5Å; F157-Y207 HydrophobicContact CB-CD1 3.65Å; F157-Y207 HydrophobicContact CB-CE1 3.78Å; F157-Y207 AromaticContact CD1-CD1 3.82Å; F157-Y207 HydrophobicContact CD1-CD1 3.82Å; F157-Y207 AromaticContact CD1-CE1 3.91Å; F157-Y207 HydrophobicContact CD1-CE1 3.91Å; F157-Y207 HydrophobicContact CG-CD1 4.04Å; F157-Y207 AromaticContact CG-CE1 3.94Å; F157-Y207 HydrophobicContact CG-CE1 3.94Å; F157-Y207 WeakPolarHBondContact O-CA 3.32Å; F157-F208 PolarHBondContact O-N 2.71Å
158L97.7Very high96.7Very high0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans-88.5110-178.3-57.3-165.8000111I12 A13 G14 A15 S18 K20 M23 I156 F208 S210 L217 I221I12-L158 HydrophobicContact CG2-CD1 4.3Å; I12-L158 HydrophobicContact CG2-CG 4.29Å; A13-L158 PolarHBondContact O-N 3.4Å; G14-L158 VanDerWaalsContact CA-O 3.24Å; G14-L158 WeakPolarHBondContact CA-O 3.34Å; A15-L158 PolarHBondContact N-O 3.02Å; S18-L158 WeakPolarHBondContact OG-CB 3.23Å; K20-L158 HydrophobicContact CB-CD1 4.42Å; K20-L158 HydrophobicContact CG-CD1 3.89Å; K20-L158 HydrophobicContact CG-CG 4.37Å; M23-L158 HydrophobicContact CG-CD1 4.18Å; I156-L158 HydrophobicContact CG2-CD2 3.93Å; L158-F208 HydrophobicContact CD2-CB 3.99Å; L158-S210 WeakPolarHBondContact CB-OG 3.22Å; L158-L217 HydrophobicContact CD1-CD2 4.44Å; L158-L217 HydrophobicContact CD2-CD1 4.23Å; L158-I221 HydrophobicContact CD2-CD1 3.8Å
159K97.2Very high96.5Very high86 Ų8645.6 Ų45.637%0.37422%0.216SC..EExtended strand (participates in β ladder)trans-88.1145.5175.5-65.3-167-175.6-175.20111.1F157 Y191 Y207 F208 S210F157-K159 HydrophobicContact CD1-CG 4.06Å; F157-K159 HydrophobicContact CE1-CG 4.32Å; K159-Y191 WeakPolarHBondContact CA-OH 3.33Å; K159-Y207 HydrophobicContact CD-CD1 4.17Å; K159-Y207 HydrophobicContact CG-CD1 4.13Å; K159-F208 PolarHBondContact N-O 3.34Å; K159-S210 VanDerWaalsContact O-CB 3.22Å; K159-S210 WeakPolarHBondContact O-CB 3.19Å; K159-S210 PolarHBondContact O-N 3.12Å; K159-S210 PolarHBondContact O-OG 3.36Å
160I96Very high96.2Very high8 Ų852.5 Ų52.54%0.04125%0.247CC..  trans-146.1152.6176.6-166.6170.6000109.4A15 N164 M165 Y191 N211A15-I160 HydrophobicContact CB-CG2 3.28Å; I160-N164 HydrophobicContact CD1-CB 4.01Å; I160-N164 HydrophobicContact CG1-CB 3.86Å; I160-M165 HydrophobicContact CD1-CB 4.24Å; I160-M165 HydrophobicContact CG1-CB 4.46Å; I160-M165 HydrophobicContact CG2-CB 3.84Å; I160-M165 HydrophobicContact CG2-CG 4.08Å; I160-M165 HydrophobicContact CG2-SD 4.32Å; I160-Y191 PolarHBondContact N-OH 3.24Å; I160-Y191 PolarHBondContact O-OH 3.03Å; I160-N211 WeakPolarHBondContact CG1-OD1 3.25Å
161T96.4Very high96Very high55 Ų5554 Ų5434%0.33725%0.254SS..  trans-74.4158.7172.459.80000112.7E163 N164 M165T161-E163 VanDerWaalsContact C-N 3.32Å; T161-E163 PolarHBondContact O-N 3.42Å; T161-N164 PolarHBondContact O-N 3.34Å; T161-N164 WeakPolarHBondContact OG1-CB 3.37Å; T161-N164 PolarHBondContact OG1-N 2.89Å; T161-N164 PolarHBondContact OG1-ND2 2.98Å; T161-M165 VanDerWaalsContact O-CB 3.27Å; T161-M165 WeakPolarHBondContact O-CB 3.45Å; T161-M165 PolarHBondContact O-N 3.18Å
162Y96.8Very high95.6Very high80 Ų8056.5 Ų56.531%0.31426%0.261SS..Hα-helixtrans-54.3-48.9176.7176.3-93.4000111.6M165 L166 F183 W188Y162-M165 PolarHBondContact O-N 3.37Å; Y162-L166 HydrophobicContact CE1-CD2 4.03Å; Y162-L166 VanDerWaalsContact O-CB 3.31Å; Y162-L166 WeakPolarHBondContact O-CB 3.12Å; Y162-L166 PolarHBondContact O-N 3.17Å; Y162-F183 AromaticContact CD2-CE1 3.86Å; Y162-F183 HydrophobicContact CD2-CE1 3.86Å; Y162-F183 HydrophobicContact CE2-CD1 4.11Å; Y162-F183 AromaticContact CE2-CE1 3.47Å; Y162-F183 HydrophobicContact CE2-CE1 3.47Å; Y162-F183 VanDerWaalsContact CE2-CE1 3.47Å; Y162-F183 HydrophobicContact CE2-CZ 4.49Å; Y162-F183 AromaticContact CZ-CE1 3.87Å; Y162-W188 HydrophobicContact CD2-CB 4.42Å; Y162-W188 AromaticContact CD2-CD1 3.82Å; Y162-W188 AromaticContact CD2-CD2 3.48Å; Y162-W188 HydrophobicContact CD2-CD2 3.48Å; Y162-W188 VanDerWaalsContact CD2-CD2 3.48Å; Y162-W188 AromaticContact CD2-CE2 3.54Å; Y162-W188 AromaticContact CD2-CE3 3.93Å; Y162-W188 HydrophobicContact CD2-CE3 3.93Å; Y162-W188 AromaticContact CD2-CG 3.68Å; Y162-W188 HydrophobicContact CD2-CG 3.68Å; Y162-W188 HydrophobicContact CD2-CH2 4.45Å; Y162-W188 HydrophobicContact CD2-CZ2 4.05Å; Y162-W188 HydrophobicContact CD2-CZ3 4.39Å; Y162-W188 AromaticContact CD2-NE1 3.72Å; Y162-W188 HydrophobicContact CE2-CB 4.29Å; Y162-W188 AromaticContact CE2-CD1 3.98Å; Y162-W188 HydrophobicContact CE2-CD2 4.2Å; Y162-W188 AromaticContact CE2-CG 3.9Å; Y162-W188 HydrophobicContact CE2-CG 3.9Å; Y162-W188 HydrophobicContact CG-CD2 4.46Å; Y162-W188 HydrophobicContact CG-CZ2 4.41Å
163E96.2Very high95.1Very high122 Ų12265.9 Ų65.957%0.5730%0.302SS*.Hα-helixtrans-64.2-47.9-174.9-63.668.9-148.500110.8T161 L166 Q167T161-E163 VanDerWaalsContact C-N 3.32Å; T161-E163 PolarHBondContact O-N 3.42Å; E163-L166 PolarHBondContact O-N 3.08Å; E163-Q167 WeakPolarHBondContact O-CB 3.41Å; E163-Q167 PolarHBondContact O-N 3.22Å
164N95.5Very high94.2Very high50 Ų5064.5 Ų64.527%0.26729%0.29SS..Hα-helixtrans-68.7-38.5-179.4-74.3-20000111.5I160 T161 Q167 R168 N211I160-N164 HydrophobicContact CD1-CB 4.01Å; I160-N164 HydrophobicContact CG1-CB 3.86Å; T161-N164 PolarHBondContact O-N 3.34Å; T161-N164 WeakPolarHBondContact OG1-CB 3.37Å; T161-N164 PolarHBondContact OG1-N 2.89Å; T161-N164 PolarHBondContact OG1-ND2 2.98Å; N164-Q167 PolarHBondContact O-N 2.99Å; N164-R168 WeakPolarHBondContact O-CB 3.43Å; N164-R168 WeakPolarHBondContact O-CG 3.47Å; N164-R168 PolarHBondContact O-N 2.94Å; N164-N211 PolarHBondContact ND2-OD1 3.46Å
165M96.3Very high93.1Very high1 Ų171.5 Ų71.51%0.00533%0.328CS..Hα-helixtrans-62.2-48.2174.8-167.4-173.5179.500111.4A15 S16 I160 T161 Y162 Q167 R168 R169 F183 V187 W188A15-M165 HydrophobicContact CB-CE 3.92Å; A15-M165 HydrophobicContact CB-SD 3.98Å; S16-M165 VanDerWaalsContact CB-CE 3.47Å; S16-M165 WeakPolarHBondContact O-CE 3.3Å; S16-M165 WeakPolarHBondContact O-CG 3.26Å; I160-M165 HydrophobicContact CD1-CB 4.24Å; I160-M165 HydrophobicContact CG1-CB 4.46Å; I160-M165 HydrophobicContact CG2-CB 3.84Å; I160-M165 HydrophobicContact CG2-CG 4.08Å; I160-M165 HydrophobicContact CG2-SD 4.32Å; T161-M165 VanDerWaalsContact O-CB 3.27Å; T161-M165 WeakPolarHBondContact O-CB 3.45Å; T161-M165 PolarHBondContact O-N 3.18Å; Y162-M165 PolarHBondContact O-N 3.37Å; M165-Q167 PolarHBondContact O-N 3.38Å; M165-R168 PolarHBondContact O-N 3.37Å; M165-R169 VanDerWaalsContact O-CB 3.24Å; M165-R169 WeakPolarHBondContact O-CB 3.02Å; M165-R169 PolarHBondContact O-N 3.06Å; M165-F183 HydrophobicContact CB-CE2 4.32Å; M165-F183 HydrophobicContact CB-CZ 4Å; M165-F183 HydrophobicContact CE-CE2 3.98Å; M165-F183 HydrophobicContact CG-CE2 3.75Å; M165-F183 HydrophobicContact CG-CZ 3.88Å; M165-F183 HydrophobicContact SD-CE2 3.71Å; M165-F183 HydrophobicContact SD-CZ 3.76Å; M165-V187 HydrophobicContact CE-CG1 3.32Å; M165-W188 HydrophobicContact SD-CE3 3.61Å; M165-W188 HydrophobicContact SD-CZ3 3.84Å
166L95.3Very high91.9Very high40 Ų4072.4 Ų72.421%0.20934%0.337CS..Hα-helixtrans-60.7-45.6178.2178.658.3000111.2Y162 E163 R169 K170 F183Y162-L166 HydrophobicContact CE1-CD2 4.03Å; Y162-L166 VanDerWaalsContact O-CB 3.31Å; Y162-L166 WeakPolarHBondContact O-CB 3.12Å; Y162-L166 PolarHBondContact O-N 3.17Å; E163-L166 PolarHBondContact O-N 3.08Å; L166-R169 PolarHBondContact O-N 2.63Å; L166-K170 HydrophobicContact CD1-CD 4.35Å; L166-K170 HydrophobicContact CD1-CG 4.31Å; L166-K170 HydrophobicContact CG-CD 4.35Å; L166-K170 WeakPolarHBondContact O-CB 3.37Å; L166-K170 VanDerWaalsContact O-CG 3.3Å; L166-K170 WeakPolarHBondContact O-CG 3.17Å; L166-K170 PolarHBondContact O-N 2.83Å; L166-F183 HydrophobicContact CB-CD1 4.31Å; L166-F183 HydrophobicContact CB-CE1 3.79Å; L166-F183 HydrophobicContact CB-CZ 3.95Å; L166-F183 HydrophobicContact CD1-CB 4.23Å; L166-F183 HydrophobicContact CD1-CD1 3.63Å; L166-F183 HydrophobicContact CD1-CD2 4.42Å; L166-F183 HydrophobicContact CD1-CE1 4.02Å; L166-F183 HydrophobicContact CD1-CG 3.82Å; L166-F183 HydrophobicContact CG-CD1 4.41Å; L166-F183 HydrophobicContact CG-CE1 4.36Å
167Q94.5Very high91.2Very high118 Ų11877.2 Ų77.255%0.55137%0.369SS*.Hα-helixtrans-62.4-49.6178-175.3-177.6-3.200111.5E163 N164 M165 R169 K170 L171E163-Q167 WeakPolarHBondContact O-CB 3.41Å; E163-Q167 PolarHBondContact O-N 3.22Å; N164-Q167 PolarHBondContact O-N 2.99Å; M165-Q167 PolarHBondContact O-N 3.38Å; Q167-R169 VanDerWaalsContact C-N 3.28Å; Q167-R169 PolarHBondContact O-N 3.39Å; Q167-K170 PolarHBondContact O-N 2.71Å; Q167-L171 WeakPolarHBondContact O-CG 3.47Å; Q167-L171 PolarHBondContact O-N 2.82Å
168R94.3Very high90.7Very high81 Ų8179.8 Ų79.831%0.30638%0.382SS..Hα-helixtrans-63.9-34178.8-68.9176.5-170.2-173.73.5111.9N17 S18 N164 M165 L171 R172 S210N17-R168 HydrophobicContact CB-CB 3.86Å; N17-R168 PolarHBondContact ND2-O 2.84Å; N17-R168 VanDerWaalsContact O-CD 3.22Å; N17-R168 WeakPolarHBondContact O-CD 3.42Å; S18-R168 PolarHBondContact O-NH1 2.89Å; N164-R168 WeakPolarHBondContact O-CB 3.43Å; N164-R168 WeakPolarHBondContact O-CG 3.47Å; N164-R168 PolarHBondContact O-N 2.94Å; M165-R168 PolarHBondContact O-N 3.37Å; R168-L171 PolarHBondContact O-N 3.49Å; R168-R172 PolarHBondContact O-N 3.15Å; R168-S210 PolarHBondContact NH1-O 2.85Å; R168-S210 PolarHBondContact NH2-O 2.82Å
169R93.3Very high90.2Very high13 Ų1381.3 Ų81.35%0.04939%0.392CS..Hα-helixtrans-72.8-39.9178.6-166.9161.8177.91353.6112.3S16 N17 D105 M165 L166 Q167 L171 R172 Y174 D178S16-R169 PolarHBondContact OG-NH1 3.3Å; N17-R169 WeakPolarHBondContact ND2-CA 3.47Å; D105-R169 IonicContact OD1-CZ 3.87Å; D105-R169 IonicContact OD1-NH1 3.45Å; D105-R169 PolarHBondContact OD1-NH1 2.83Å; D105-R169 IonicContact OD1-NH2 3.95Å; D105-R169 IonicContact OD2-CZ 3.47Å; D105-R169 IonicContact OD2-NH1 2.69Å; D105-R169 IonicContact OD2-NH2 2.87Å; D105-R169 PolarHBondContact OD2-NH2 3.44Å; M165-R169 VanDerWaalsContact O-CB 3.24Å; M165-R169 WeakPolarHBondContact O-CB 3.02Å; M165-R169 PolarHBondContact O-N 3.06Å; L166-R169 PolarHBondContact O-N 2.63Å; Q167-R169 VanDerWaalsContact C-N 3.28Å; Q167-R169 PolarHBondContact O-N 3.39Å; R169-L171 PolarHBondContact O-N 2.59Å; R169-R172 PolarHBondContact O-N 3.48Å; R169-R172 VanDerWaalsContact O-N 3.08Å; R169-Y174 HydrophobicContact CG-CE2 3.78Å; R169-Y174 WeakPolarHBondContact CG-OH 3.48Å; R169-Y174 PolarHBondContact NE-OH 2.9Å; R169-D178 IonicContact CZ-OD1 3.45Å; R169-D178 IonicContact CZ-OD2 3.98Å; R169-D178 IonicContact NE-OD1 2.69Å; R169-D178 IonicContact NE-OD2 3.75Å; R169-D178 PolarHBondContact NE-OD2 3.43Å; R169-D178 IonicContact NH2-OD1 3.41Å; R169-D178 PolarHBondContact NH2-OD1 3.43Å; R169-D178 IonicContact NH2-OD2 3.03Å
170K91.1Very high89.8Confident162 Ų16282.9 Ų82.970%0.70441%0.411SS*.Hα-helixtrans-57.9-31.7172.3-76.6175.7177.2-179.60113.3L166 Q167L166-K170 HydrophobicContact CD1-CD 4.35Å; L166-K170 HydrophobicContact CD1-CG 4.31Å; L166-K170 HydrophobicContact CG-CD 4.35Å; L166-K170 WeakPolarHBondContact O-CB 3.37Å; L166-K170 VanDerWaalsContact O-CG 3.3Å; L166-K170 WeakPolarHBondContact O-CG 3.17Å; L166-K170 PolarHBondContact O-N 2.83Å; Q167-K170 PolarHBondContact O-N 2.71Å
171L91.5Very high89.6Confident138 Ų13888.8 Ų88.872%0.72344%0.443SS*.Hα-helixtrans-83.2-17.4178.9-65.7173.1000113.4Q167 R168 R169Q167-L171 WeakPolarHBondContact O-CG 3.47Å; Q167-L171 PolarHBondContact O-N 2.82Å; R168-L171 PolarHBondContact O-N 3.49Å; R169-L171 PolarHBondContact O-N 2.59Å
172R88.2Confident89.5Confident100 Ų10086.6 Ų86.638%0.37743%0.428SS..  trans-81.1126.5-178.5-175.2165.3-178.7-171.51.4110.1N17 D44 R168 R169 Y174N17-R172 VanDerWaalsContact ND2-CB 3.31Å; N17-R172 WeakPolarHBondContact ND2-CB 3.45Å; N17-R172 WeakPolarHBondContact ND2-CD 3.49Å; N17-R172 WeakPolarHBondContact OD1-CD 3.18Å; N17-R172 PolarHBondContact OD1-NH1 3.17Å; D44-R172 IonicContact OD2-NH2 3.34Å; R168-R172 PolarHBondContact O-N 3.15Å; R169-R172 PolarHBondContact O-N 3.48Å; R169-R172 VanDerWaalsContact O-N 3.08Å; R172-Y174 HydrophobicContact CB-CD2 4.44Å; R172-Y174 HydrophobicContact CB-CE2 3.96Å; R172-Y174 HydrophobicContact CG-CD1 4.47Å; R172-Y174 HydrophobicContact CG-CD2 4.25Å; R172-Y174 HydrophobicContact CG-CE1 4.2Å; R172-Y174 HydrophobicContact CG-CE2 3.95Å; R172-Y174 PolarHBondContact O-N 3.09Å
173K86.3Confident89.4Confident201 Ų20183.5 Ų83.587%0.87442%0.417SS*.  trans-86.399169.3-67.7-176.6179.8-179.40108.8
174Y78.4Confident89.4Confident58 Ų5880.2 Ų80.223%0.22741%0.411CS..  trans-75153.5167.2-64.3-83.6000109.8S16 N17 R169 R172 T176S16-Y174 PolarHBondContact OG-OH 2.74Å; N17-Y174 PolarHBondContact OD1-OH 3.13Å; R169-Y174 HydrophobicContact CG-CE2 3.78Å; R169-Y174 WeakPolarHBondContact CG-OH 3.48Å; R169-Y174 PolarHBondContact NE-OH 2.9Å; R172-Y174 HydrophobicContact CB-CD2 4.44Å; R172-Y174 HydrophobicContact CB-CE2 3.96Å; R172-Y174 HydrophobicContact CG-CD1 4.47Å; R172-Y174 HydrophobicContact CG-CD2 4.25Å; R172-Y174 HydrophobicContact CG-CE1 4.2Å; R172-Y174 HydrophobicContact CG-CE2 3.95Å; R172-Y174 PolarHBondContact O-N 3.09Å; Y174-T176 WeakPolarHBondContact CB-O 3.48Å; Y174-T176 PolarHBondContact O-N 2.91Å; Y174-T176 VanDerWaalsContact O-N 3.11Å
175N75.2Confident89.3Confident151 Ų15181.9 Ų81.981%0.80742%0.416SS*.SBendtrans-55.4-28.2170.7-72.5-11.1000111.4
176T73.2Confident89.3Confident56 Ų5683.3 Ų83.334%0.34442%0.421SS..SBendtrans-129.9120.9171.4-54.10000109.7H88 Y174H88-T176 WeakPolarHBondContact CE1-CB 3.46Å; H88-T176 WeakPolarHBondContact CE1-CG2 3.34Å; H88-T176 PolarHBondContact CE1-OG1 3.14Å; H88-T176 VanDerWaalsContact CE1-OG1 3.3Å; H88-T176 WeakPolarHBondContact NE2-CB 3.43Å; H88-T176 WeakPolarHBondContact NE2-CG2 3.22Å; H88-T176 PolarHBondContact NE2-OG1 3.09Å; Y174-T176 WeakPolarHBondContact CB-O 3.48Å; Y174-T176 PolarHBondContact O-N 2.91Å; Y174-T176 VanDerWaalsContact O-N 3.11Å
177P82.5Confident89.3Confident102 Ų10281.5 Ų81.566%0.66241%0.412SS*.PPolyproline II helixtrans-57.8142.6-180-24.133.8000111.7
178D88Confident89.5Confident54 Ų5478.3 Ų78.329%0.28940%0.395SS..PPolyproline II helixtrans-56.8128.4169.2-79.7-13.3000109.2R169 Y182R169-D178 IonicContact CZ-OD1 3.45Å; R169-D178 IonicContact CZ-OD2 3.98Å; R169-D178 IonicContact NE-OD1 2.69Å; R169-D178 IonicContact NE-OD2 3.75Å; R169-D178 PolarHBondContact NE-OD2 3.43Å; R169-D178 IonicContact NH2-OD1 3.41Å; R169-D178 PolarHBondContact NH2-OD1 3.43Å; R169-D178 IonicContact NH2-OD2 3.03Å; D178-Y182 HydrophobicContact CB-CD1 4.17Å; D178-Y182 HydrophobicContact CB-CG 4.42Å; D178-Y182 WeakPolarHBondContact OD1-CD1 3.19Å
179P87.9Confident89.6Confident31 Ų3176.1 Ų76.120%0.20139%0.391CS..PPolyproline II helixtrans-66163.8172.923.3-28.6000111.1E101 N181 Y182E101-P179 HydrophobicContact CB-CG 3.99Å; E101-P179 HydrophobicContact CG-CB 4.05Å; E101-P179 HydrophobicContact CG-CG 4.05Å; P179-N181 PolarHBondContact O-N 3.29Å; P179-Y182 HydrophobicContact CG-CD2 3.72Å; P179-Y182 HydrophobicContact CG-CG 4.06Å; P179-Y182 WeakPolarHBondContact O-CB 3.24Å; P179-Y182 PolarHBondContact O-N 2.76Å
180P89.7Confident89.8Confident119 Ų11976 Ų7677%0.77339%0.391SS*.THydrogen-bonded Turntrans-50.5133.7178.2-27.735.3000112.2Y182P180-Y182 PolarHBondContact O-N 2.79Å; P180-Y182 VanDerWaalsContact O-N 3.13Å
181N91.3Very high90.1Very high133 Ų13369 Ų6971%0.71136%0.361SS*.THydrogen-bonded Turntrans62.17-178.2-66.3-21.7000117.1P179 F183 A184 K185P179-N181 PolarHBondContact O-N 3.29Å; N181-F183 PolarHBondContact O-N 3.41Å; N181-A184 PolarHBondContact O-N 3.29Å; N181-K185 VanDerWaalsContact O-CB 3.32Å; N181-K185 WeakPolarHBondContact O-CB 3.43Å; N181-K185 PolarHBondContact O-N 3.21Å
182Y93.7Very high90.4Very high8 Ų865.8 Ų65.83%0.03134%0.344CS..Hα-helixtrans-55.1-39.3-179.5-174.1-97.8000113.2N103 F104 D105 D178 P179 P180 K185 Y186 V187N103-Y182 PolarHBondContact OD1-OH 3.37Å; F104-Y182 PolarHBondContact N-OH 3Å; D105-Y182 PolarHBondContact N-OH 2.93Å; D105-Y182 WeakPolarHBondContact OD2-CE1 3.36Å; D105-Y182 PolarHBondContact OD2-OH 3.23Å; D178-Y182 HydrophobicContact CB-CD1 4.17Å; D178-Y182 HydrophobicContact CB-CG 4.42Å; D178-Y182 WeakPolarHBondContact OD1-CD1 3.19Å; P179-Y182 HydrophobicContact CG-CD2 3.72Å; P179-Y182 HydrophobicContact CG-CG 4.06Å; P179-Y182 WeakPolarHBondContact O-CB 3.24Å; P179-Y182 PolarHBondContact O-N 2.76Å; P180-Y182 PolarHBondContact O-N 2.79Å; P180-Y182 VanDerWaalsContact O-N 3.13Å; Y182-K185 PolarHBondContact O-N 3.01Å; Y182-Y186 AromaticContact CD2-CD2 3.46Å; Y182-Y186 HydrophobicContact CD2-CD2 3.46Å; Y182-Y186 VanDerWaalsContact CD2-CD2 3.46Å; Y182-Y186 HydrophobicContact CD2-CE2 4.16Å; Y182-Y186 HydrophobicContact CD2-CG 4.33Å; Y182-Y186 AromaticContact CE2-CD2 3.61Å; Y182-Y186 HydrophobicContact CE2-CD2 3.61Å; Y182-Y186 HydrophobicContact CE2-CE2 4.36Å; Y182-Y186 HydrophobicContact CE2-CG 4.13Å; Y182-Y186 HydrophobicContact CG-CD2 4.24Å; Y182-Y186 PolarHBondContact O-N 3.41Å; Y182-V187 HydrophobicContact CD1-CG2 3.53Å; Y182-V187 HydrophobicContact CE1-CG2 3.47Å; Y182-V187 VanDerWaalsContact CE1-CG2 3.47Å; Y182-V187 PolarHBondContact O-N 3.46Å
183F94.9Very high90.8Very high15 Ų1567 Ų677%0.06635%0.349CS..Iπ-helixtrans-58.6-53.4177.7-176.5-99.8000113.1Y162 M165 L166 N181 K185 V187 W188Y162-F183 AromaticContact CD2-CE1 3.86Å; Y162-F183 HydrophobicContact CD2-CE1 3.86Å; Y162-F183 HydrophobicContact CE2-CD1 4.11Å; Y162-F183 AromaticContact CE2-CE1 3.47Å; Y162-F183 HydrophobicContact CE2-CE1 3.47Å; Y162-F183 VanDerWaalsContact CE2-CE1 3.47Å; Y162-F183 HydrophobicContact CE2-CZ 4.49Å; Y162-F183 AromaticContact CZ-CE1 3.87Å; M165-F183 HydrophobicContact CB-CE2 4.32Å; M165-F183 HydrophobicContact CB-CZ 4Å; M165-F183 HydrophobicContact CE-CE2 3.98Å; M165-F183 HydrophobicContact CG-CE2 3.75Å; M165-F183 HydrophobicContact CG-CZ 3.88Å; M165-F183 HydrophobicContact SD-CE2 3.71Å; M165-F183 HydrophobicContact SD-CZ 3.76Å; L166-F183 HydrophobicContact CB-CD1 4.31Å; L166-F183 HydrophobicContact CB-CE1 3.79Å; L166-F183 HydrophobicContact CB-CZ 3.95Å; L166-F183 HydrophobicContact CD1-CB 4.23Å; L166-F183 HydrophobicContact CD1-CD1 3.63Å; L166-F183 HydrophobicContact CD1-CD2 4.42Å; L166-F183 HydrophobicContact CD1-CE1 4.02Å; L166-F183 HydrophobicContact CD1-CG 3.82Å; L166-F183 HydrophobicContact CG-CD1 4.41Å; L166-F183 HydrophobicContact CG-CE1 4.36Å; N181-F183 PolarHBondContact O-N 3.41Å; F183-K185 VanDerWaalsContact C-N 3.31Å; F183-K185 PolarHBondContact O-N 3.12Å; F183-V187 HydrophobicContact CD2-CB 3.69Å; F183-V187 HydrophobicContact CD2-CG1 3.68Å; F183-V187 HydrophobicContact CD2-CG2 4.2Å; F183-V187 HydrophobicContact CE2-CB 4.19Å; F183-V187 HydrophobicContact CE2-CG1 3.76Å; F183-V187 HydrophobicContact CG-CB 4.36Å; F183-V187 PolarHBondContact O-N 3.24Å; F183-W188 HydrophobicContact CD1-CB 4.42Å; F183-W188 HydrophobicContact CE1-CB 4.03Å; F183-W188 HydrophobicContact CZ-CB 4.24Å; F183-W188 HydrophobicContact CZ-CE3 4.22Å; F183-W188 PolarHBondContact O-N 3.49Å
184A95.4Very high91.4Very high54 Ų5457.6 Ų57.645%0.44631%0.308SS..Iπ-helixtrans-70.3-30.9-177.900000111.8N181 P189N181-A184 PolarHBondContact O-N 3.29Å; A184-P189 VanDerWaalsContact O-CD 3.31Å; A184-P189 WeakPolarHBondContact O-CD 3.22Å; A184-P189 VanDerWaalsContact O-CG 3.28Å; A184-P189 WeakPolarHBondContact O-CG 3.47Å
185K95Very high92.2Very high85 Ų8556.3 Ų56.337%0.3730%0.304SS..Iπ-helixtrans-81.8-38.3-176.7-168.2171.3-179.9-1790113.5D96 N181 Y182 F183D96-K185 IonicContact OD1-NZ 2.98Å; D96-K185 PolarHBondContact OD1-NZ 3.35Å; D96-K185 VanDerWaalsContact OD2-CE 3.32Å; D96-K185 WeakPolarHBondContact OD2-CE 3.4Å; D96-K185 IonicContact OD2-NZ 2.64Å; D96-K185 PolarHBondContact OD2-NZ 2.88Å; N181-K185 VanDerWaalsContact O-CB 3.32Å; N181-K185 WeakPolarHBondContact O-CB 3.43Å; N181-K185 PolarHBondContact O-N 3.21Å; Y182-K185 PolarHBondContact O-N 3.01Å; F183-K185 VanDerWaalsContact C-N 3.31Å; F183-K185 PolarHBondContact O-N 3.12Å
186Y95.6Very high93.2Very high31 Ų3154 Ų5412%0.12229%0.292CS..Iπ-helixtrans-124.2-53.9-170.9-62.6-67.8000113D96 N103 Y182 T190D96-Y186 WeakPolarHBondContact CA-OH 3.37Å; D96-Y186 HydrophobicContact CB-CE2 4.36Å; D96-Y186 WeakPolarHBondContact CB-OH 3.41Å; D96-Y186 VanDerWaalsContact CG-OH 3.25Å; D96-Y186 WeakPolarHBondContact OD2-CE2 3.44Å; D96-Y186 PolarHBondContact OD2-OH 3.37Å; N103-Y186 HydrophobicContact CB-CD1 4.31Å; N103-Y186 HydrophobicContact CB-CE1 4.42Å; N103-Y186 WeakPolarHBondContact ND2-CD1 3.34Å; Y182-Y186 AromaticContact CD2-CD2 3.46Å; Y182-Y186 HydrophobicContact CD2-CD2 3.46Å; Y182-Y186 VanDerWaalsContact CD2-CD2 3.46Å; Y182-Y186 HydrophobicContact CD2-CE2 4.16Å; Y182-Y186 HydrophobicContact CD2-CG 4.33Å; Y182-Y186 AromaticContact CE2-CD2 3.61Å; Y182-Y186 HydrophobicContact CE2-CD2 3.61Å; Y182-Y186 HydrophobicContact CE2-CE2 4.36Å; Y182-Y186 HydrophobicContact CE2-CG 4.13Å; Y182-Y186 HydrophobicContact CG-CD2 4.24Å; Y182-Y186 PolarHBondContact O-N 3.41Å; Y186-T190 VanDerWaalsContact O-CB 3.23Å; Y186-T190 WeakPolarHBondContact O-CB 3.33Å; Y186-T190 PolarHBondContact O-N 3.43Å; Y186-T190 PolarHBondContact O-OG1 2.91Å
187V96.1Very high94.3Very high2 Ų254.5 Ų54.51%0.01229%0.292CS..Iπ-helixtrans-63.3-55.1-169.8-177.30000112.2M165 Y182 F183 T190 Y191M165-V187 HydrophobicContact CE-CG1 3.32Å; Y182-V187 HydrophobicContact CD1-CG2 3.53Å; Y182-V187 HydrophobicContact CE1-CG2 3.47Å; Y182-V187 VanDerWaalsContact CE1-CG2 3.47Å; Y182-V187 PolarHBondContact O-N 3.46Å; F183-V187 HydrophobicContact CD2-CB 3.69Å; F183-V187 HydrophobicContact CD2-CG1 3.68Å; F183-V187 HydrophobicContact CD2-CG2 4.2Å; F183-V187 HydrophobicContact CE2-CB 4.19Å; F183-V187 HydrophobicContact CE2-CG1 3.76Å; F183-V187 HydrophobicContact CG-CB 4.36Å; F183-V187 PolarHBondContact O-N 3.24Å; V187-T190 PolarHBondContact O-N 3.27Å; V187-Y191 PolarHBondContact O-N 3.37Å; V187-Y191 VanDerWaalsContact O-N 3.1Å
188W97.5Very high94.9Very high51 Ų5149.8 Ų49.819%0.19326%0.261CS..Hα-helixtrans-67.6-46.2-177.9-177.5-109000112.4Y162 M165 F183 T190 Y191 L192Y162-W188 HydrophobicContact CD2-CB 4.42Å; Y162-W188 AromaticContact CD2-CD1 3.82Å; Y162-W188 AromaticContact CD2-CD2 3.48Å; Y162-W188 HydrophobicContact CD2-CD2 3.48Å; Y162-W188 VanDerWaalsContact CD2-CD2 3.48Å; Y162-W188 AromaticContact CD2-CE2 3.54Å; Y162-W188 AromaticContact CD2-CE3 3.93Å; Y162-W188 HydrophobicContact CD2-CE3 3.93Å; Y162-W188 AromaticContact CD2-CG 3.68Å; Y162-W188 HydrophobicContact CD2-CG 3.68Å; Y162-W188 HydrophobicContact CD2-CH2 4.45Å; Y162-W188 HydrophobicContact CD2-CZ2 4.05Å; Y162-W188 HydrophobicContact CD2-CZ3 4.39Å; Y162-W188 AromaticContact CD2-NE1 3.72Å; Y162-W188 HydrophobicContact CE2-CB 4.29Å; Y162-W188 AromaticContact CE2-CD1 3.98Å; Y162-W188 HydrophobicContact CE2-CD2 4.2Å; Y162-W188 AromaticContact CE2-CG 3.9Å; Y162-W188 HydrophobicContact CE2-CG 3.9Å; Y162-W188 HydrophobicContact CG-CD2 4.46Å; Y162-W188 HydrophobicContact CG-CZ2 4.41Å; M165-W188 HydrophobicContact SD-CE3 3.61Å; M165-W188 HydrophobicContact SD-CZ3 3.84Å; F183-W188 HydrophobicContact CD1-CB 4.42Å; F183-W188 HydrophobicContact CE1-CB 4.03Å; F183-W188 HydrophobicContact CZ-CB 4.24Å; F183-W188 HydrophobicContact CZ-CE3 4.22Å; F183-W188 PolarHBondContact O-N 3.49Å; W188-T190 VanDerWaalsContact C-N 3.29Å; W188-T190 PolarHBondContact O-N 3.49Å; W188-Y191 HydrophobicContact CD2-CD1 4.38Å; W188-Y191 AromaticContact CE3-CD1 3.75Å; W188-Y191 HydrophobicContact CE3-CD1 3.75Å; W188-Y191 HydrophobicContact CE3-CE1 4.39Å; W188-Y191 AromaticContact CH2-CD1 3.86Å; W188-Y191 HydrophobicContact CH2-CD1 3.86Å; W188-Y191 AromaticContact CH2-CE1 3.73Å; W188-Y191 HydrophobicContact CH2-CE1 3.73Å; W188-Y191 HydrophobicContact CZ2-CD1 4.48Å; W188-Y191 AromaticContact CZ3-CD1 3.45Å; W188-Y191 HydrophobicContact CZ3-CD1 3.45Å; W188-Y191 VanDerWaalsContact CZ3-CD1 3.45Å; W188-Y191 AromaticContact CZ3-CE1 3.63Å; W188-Y191 HydrophobicContact CZ3-CE1 3.63Å; W188-Y191 WeakPolarHBondContact O-CB 3.49Å; W188-Y191 PolarHBondContact O-N 2.85Å; W188-Y191 VanDerWaalsContact O-N 3.16Å; W188-L192 HydrophobicContact CZ2-CD2 3.94Å; W188-L192 HydrophobicContact CZ2-CG 4.46Å; W188-L192 PolarHBondContact O-N 3.23Å
189P97.3Very high95.2Very high34 Ų3454.3 Ų54.322%0.22128%0.281CS..Hα-helixtrans-58.6-37.1173.7-28.137.8000113.8A184 L192 R193A184-P189 VanDerWaalsContact O-CD 3.31Å; A184-P189 WeakPolarHBondContact O-CD 3.22Å; A184-P189 VanDerWaalsContact O-CG 3.28Å; A184-P189 WeakPolarHBondContact O-CG 3.47Å; P189-L192 PolarHBondContact O-N 2.82Å; P189-R193 WeakPolarHBondContact O-CG 3.49Å; P189-R193 PolarHBondContact O-N 2.75Å
190T97.1Very high95.6Very high10 Ų1062.6 Ų62.66%0.06131%0.309CS..Hα-helixtrans-63.9-43.7175.4-73.50000111.7D105 L141 Y186 V187 W188 L192 R193 T194D105-T190 WeakPolarHBondContact O-CB 3.24Å; D105-T190 VanDerWaalsContact O-CG2 3.28Å; D105-T190 WeakPolarHBondContact O-CG2 3.4Å; D105-T190 PolarHBondContact O-OG1 3.47Å; L141-T190 HydrophobicContact CD2-CG2 3.57Å; Y186-T190 VanDerWaalsContact O-CB 3.23Å; Y186-T190 WeakPolarHBondContact O-CB 3.33Å; Y186-T190 PolarHBondContact O-N 3.43Å; Y186-T190 PolarHBondContact O-OG1 2.91Å; V187-T190 PolarHBondContact O-N 3.27Å; W188-T190 VanDerWaalsContact C-N 3.29Å; W188-T190 PolarHBondContact O-N 3.49Å; T190-L192 PolarHBondContact O-N 2.84Å; T190-R193 PolarHBondContact O-N 2.84Å; T190-R193 PolarHBondContact OG1-NH2 3.34Å; T190-T194 PolarHBondContact O-N 3.28Å; T190-T194 PolarHBondContact O-OG1 2.95Å
191Y97.7Very high95.7Very high16 Ų1658.4 Ų58.46%0.06328%0.283CS..Hα-helixtrans-59.6-46176.1168.7-114000112.4A15 F157 K159 I160 V187 W188 T194 L195A15-Y191 HydrophobicContact CB-CD2 3.54Å; A15-Y191 HydrophobicContact CB-CE2 3.55Å; A15-Y191 HydrophobicContact CB-CG 4.1Å; F157-Y191 AromaticContact CE1-CE2 3.72Å; F157-Y191 HydrophobicContact CE1-CE2 3.72Å; F157-Y191 HydrophobicContact CZ-CD2 4.25Å; F157-Y191 AromaticContact CZ-CE2 3.9Å; F157-Y191 HydrophobicContact CZ-CE2 3.9Å; K159-Y191 WeakPolarHBondContact CA-OH 3.33Å; I160-Y191 PolarHBondContact N-OH 3.24Å; I160-Y191 PolarHBondContact O-OH 3.03Å; V187-Y191 PolarHBondContact O-N 3.37Å; V187-Y191 VanDerWaalsContact O-N 3.1Å; W188-Y191 HydrophobicContact CD2-CD1 4.38Å; W188-Y191 AromaticContact CE3-CD1 3.75Å; W188-Y191 HydrophobicContact CE3-CD1 3.75Å; W188-Y191 HydrophobicContact CE3-CE1 4.39Å; W188-Y191 AromaticContact CH2-CD1 3.86Å; W188-Y191 HydrophobicContact CH2-CD1 3.86Å; W188-Y191 AromaticContact CH2-CE1 3.73Å; W188-Y191 HydrophobicContact CH2-CE1 3.73Å; W188-Y191 HydrophobicContact CZ2-CD1 4.48Å; W188-Y191 AromaticContact CZ3-CD1 3.45Å; W188-Y191 HydrophobicContact CZ3-CD1 3.45Å; W188-Y191 VanDerWaalsContact CZ3-CD1 3.45Å; W188-Y191 AromaticContact CZ3-CE1 3.63Å; W188-Y191 HydrophobicContact CZ3-CE1 3.63Å; W188-Y191 WeakPolarHBondContact O-CB 3.49Å; W188-Y191 PolarHBondContact O-N 2.85Å; W188-Y191 VanDerWaalsContact O-N 3.16Å; Y191-T194 WeakPolarHBondContact O-CB 3.43Å; Y191-T194 PolarHBondContact O-N 3.38Å; Y191-L195 HydrophobicContact CD1-CD1 4.35Å; Y191-L195 HydrophobicContact CE1-CD1 3.72Å; Y191-L195 HydrophobicContact CE2-CD1 4.11Å; Y191-L195 HydrophobicContact CE2-CD2 4.43Å; Y191-L195 HydrophobicContact CE2-CG 4.15Å; Y191-L195 PolarHBondContact O-N 3Å
192L97.7Very high95.5Very high70 Ų7061.1 Ų61.137%0.36629%0.288SS..Hα-helixtrans-61.4-45.5176.8-65.8-177.8000111.7W188 P189 T190 T194 L195 D196W188-L192 HydrophobicContact CZ2-CD2 3.94Å; W188-L192 HydrophobicContact CZ2-CG 4.46Å; W188-L192 PolarHBondContact O-N 3.23Å; P189-L192 PolarHBondContact O-N 2.82Å; T190-L192 PolarHBondContact O-N 2.84Å; L192-T194 VanDerWaalsContact C-N 3.27Å; L192-T194 PolarHBondContact O-N 2.74Å; L192-L195 HydrophobicContact CD2-CD1 4.47Å; L192-L195 WeakPolarHBondContact O-CB 3.29Å; L192-L195 PolarHBondContact O-N 2.78Å; L192-D196 PolarHBondContact O-N 2.85Å
193R97.1Very high95.4Very high127 Ų12763 Ų6348%0.47930%0.299SS..Hα-helixtrans-57.6-40.3175.1-76.9-172.2-65.8-972.1112.5P189 T190 D196 I197P189-R193 WeakPolarHBondContact O-CG 3.49Å; P189-R193 PolarHBondContact O-N 2.75Å; T190-R193 PolarHBondContact O-N 2.84Å; T190-R193 PolarHBondContact OG1-NH2 3.34Å; R193-D196 PolarHBondContact O-N 3.19Å; R193-I197 WeakPolarHBondContact O-CD1 3.15Å; R193-I197 VanDerWaalsContact O-CG1 3.26Å; R193-I197 WeakPolarHBondContact O-CG1 3.48Å; R193-I197 PolarHBondContact O-N 3.14Å
194T97.1Very high95.4Very high2 Ų266 Ų661%0.01232%0.321CS..Hα-helixtrans-62.7-43.6175.2-730000111N144 F157 T190 Y191 L192 D196 I197 L198N144-T194 PolarHBondContact ND2-OG1 3.03Å; N144-T194 VanDerWaalsContact ND2-OG1 3.07Å; N144-T194 WeakPolarHBondContact OD1-CB 3.2Å; N144-T194 WeakPolarHBondContact OD1-CG2 3.37Å; N144-T194 PolarHBondContact OD1-OG1 3.29Å; F157-T194 HydrophobicContact CE2-CG2 3.49Å; F157-T194 VanDerWaalsContact CE2-CG2 3.49Å; F157-T194 HydrophobicContact CZ-CG2 3.8Å; T190-T194 PolarHBondContact O-N 3.28Å; T190-T194 PolarHBondContact O-OG1 2.95Å; Y191-T194 WeakPolarHBondContact O-CB 3.43Å; Y191-T194 PolarHBondContact O-N 3.38Å; L192-T194 VanDerWaalsContact C-N 3.27Å; L192-T194 PolarHBondContact O-N 2.74Å; T194-D196 VanDerWaalsContact C-N 3.35Å; T194-D196 PolarHBondContact O-N 2.92Å; T194-I197 PolarHBondContact O-N 3.07Å; T194-L198 HydrophobicContact CG2-CD1 3.89Å; T194-L198 HydrophobicContact CG2-CG 4.34Å; T194-L198 VanDerWaalsContact O-CG 3.23Å; T194-L198 WeakPolarHBondContact O-CG 3.28Å; T194-L198 PolarHBondContact O-N 2.95Å
195L96.5Very high95.4Very high31 Ų3164.3 Ų64.316%0.16231%0.305CS..Hα-helixtrans-58.8-45.8175.1-71.6174.1000111.9F157 Y191 L192 I197 L198 E199F157-L195 HydrophobicContact CD1-CD2 4.16Å; F157-L195 HydrophobicContact CE1-CD2 3.47Å; F157-L195 VanDerWaalsContact CE1-CD2 3.47Å; F157-L195 HydrophobicContact CE1-CG 4.35Å; F157-L195 HydrophobicContact CZ-CD2 3.96Å; F157-L195 HydrophobicContact CZ-CG 4.5Å; Y191-L195 HydrophobicContact CD1-CD1 4.35Å; Y191-L195 HydrophobicContact CE1-CD1 3.72Å; Y191-L195 HydrophobicContact CE2-CD1 4.11Å; Y191-L195 HydrophobicContact CE2-CD2 4.43Å; Y191-L195 HydrophobicContact CE2-CG 4.15Å; Y191-L195 PolarHBondContact O-N 3Å; L192-L195 HydrophobicContact CD2-CD1 4.47Å; L192-L195 WeakPolarHBondContact O-CB 3.29Å; L192-L195 PolarHBondContact O-N 2.78Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-I197 PolarHBondContact O-N 3.17Å; L195-L198 PolarHBondContact O-N 2.85Å; L195-E199 WeakPolarHBondContact O-CB 3.32Å; L195-E199 PolarHBondContact O-N 2.99Å
196D96.5Very high95.6Very high104 Ų10463.9 Ų63.956%0.55630%0.301SS*.Hα-helixtrans-59.8-43.3178.5-63.9-22.8000111.7L192 R193 T194 L198 E199 Y200L192-D196 PolarHBondContact O-N 2.85Å; R193-D196 PolarHBondContact O-N 3.19Å; T194-D196 VanDerWaalsContact C-N 3.35Å; T194-D196 PolarHBondContact O-N 2.92Å; D196-L198 VanDerWaalsContact C-N 3.34Å; D196-L198 PolarHBondContact O-N 2.8Å; D196-E199 PolarHBondContact O-N 3.1Å; D196-Y200 WeakPolarHBondContact O-CB 3.49Å; D196-Y200 PolarHBondContact O-N 3.4Å
197I95.6Very high95.6Very high66 Ų6666.6 Ų66.634%0.33831%0.312SS..Hα-helixtrans-60.2-44.5177.1-71.4164.2000111R193 T194 L195 Y200 S201R193-I197 WeakPolarHBondContact O-CD1 3.15Å; R193-I197 VanDerWaalsContact O-CG1 3.26Å; R193-I197 WeakPolarHBondContact O-CG1 3.48Å; R193-I197 PolarHBondContact O-N 3.14Å; T194-I197 PolarHBondContact O-N 3.07Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-I197 PolarHBondContact O-N 3.17Å; I197-Y200 PolarHBondContact O-N 3.36Å; I197-S201 PolarHBondContact O-N 2.86Å
198L95.9Very high95.7Very high2 Ų267.7 Ų67.71%0.0132%0.317CS..Hα-helixtrans-74.4-32.8-176.7-63178.4000112.5M143 F157 T194 L195 D196 S201 I205M143-L198 HydrophobicContact CB-CD1 4.3Å; M143-L198 HydrophobicContact CB-CD2 3.69Å; M143-L198 HydrophobicContact SD-CD1 4.34Å; F157-L198 HydrophobicContact CD2-CD1 3.32Å; F157-L198 HydrophobicContact CE2-CD1 3.42Å; F157-L198 VanDerWaalsContact CE2-CD1 3.42Å; F157-L198 HydrophobicContact CG-CD1 4.1Å; F157-L198 HydrophobicContact CZ-CD1 4.23Å; T194-L198 HydrophobicContact CG2-CD1 3.89Å; T194-L198 HydrophobicContact CG2-CG 4.34Å; T194-L198 VanDerWaalsContact O-CG 3.23Å; T194-L198 WeakPolarHBondContact O-CG 3.28Å; T194-L198 PolarHBondContact O-N 2.95Å; L195-L198 PolarHBondContact O-N 2.85Å; D196-L198 VanDerWaalsContact C-N 3.34Å; D196-L198 PolarHBondContact O-N 2.8Å; L198-S201 PolarHBondContact O-OG 2.67Å; L198-I205 HydrophobicContact CB-CD1 3.68Å; L198-I205 HydrophobicContact CD1-CD1 4.14Å; L198-I205 HydrophobicContact CD2-CD1 3.66Å; L198-I205 HydrophobicContact CG-CD1 3.98Å
199E94.5Very high95.6Very high150 Ų15068.1 Ų68.170%0.70132%0.323SS*.Hα-helixtrans-67.2-41.8171.8-174.4168.8-173.100111.1L195 D196L195-E199 WeakPolarHBondContact O-CB 3.32Å; L195-E199 PolarHBondContact O-N 2.99Å; D196-E199 PolarHBondContact O-N 3.1Å
200Y94.4Very high95.5Very high205 Ų20566.6 Ų66.680%0.80431%0.313SS*.Hα-helixtrans-67-37.2177.4-176.4-96.5000113.2D196 I197 K202D196-Y200 WeakPolarHBondContact O-CB 3.49Å; D196-Y200 PolarHBondContact O-N 3.4Å; I197-Y200 PolarHBondContact O-N 3.36Å; Y200-K202 PolarHBondContact O-N 3.48Å
201S92.6Very high95.4Very high31 Ų3168.2 Ų68.222%0.21732%0.321CS..Hα-helixtrans-67.8-21.9-174.879.50000113.9I197 L198 D203I197-S201 PolarHBondContact O-N 2.86Å; L198-S201 PolarHBondContact O-OG 2.67Å; S201-D203 VanDerWaalsContact CB-OD2 3.25Å; S201-D203 WeakPolarHBondContact CB-OD2 3.42Å; S201-D203 PolarHBondContact O-N 2.71Å; S201-D203 VanDerWaalsContact O-N 3.12Å; S201-D203 VanDerWaalsContact OG-CG 3.26Å; S201-D203 PolarHBondContact OG-N 3.07Å; S201-D203 PolarHBondContact OG-OD2 2.74Å
202K86.9Confident94.9Very high190 Ų19071.7 Ų71.783%0.82634%0.341SS*.  trans55.420.8-174.4-56.7-175.8179.9-178.80113.9Y200Y200-K202 PolarHBondContact O-N 3.48Å
203D91.1Very high94.5Very high48 Ų4870.1 Ų70.126%0.25734%0.342SS..  trans-66.3149173.5-67.3-46.5000110.1R149 S201 I205R149-D203 WeakPolarHBondContact CD-OD2 3.49Å; R149-D203 IonicContact CZ-OD2 3.39Å; R149-D203 IonicContact NE-OD2 3.68Å; R149-D203 PolarHBondContact NE-OD2 2.93Å; R149-D203 IonicContact NH2-OD2 3.69Å; R149-D203 PolarHBondContact NH2-OD2 2.85Å; S201-D203 VanDerWaalsContact CB-OD2 3.25Å; S201-D203 WeakPolarHBondContact CB-OD2 3.42Å; S201-D203 PolarHBondContact O-N 2.71Å; S201-D203 VanDerWaalsContact O-N 3.12Å; S201-D203 VanDerWaalsContact OG-CG 3.26Å; S201-D203 PolarHBondContact OG-N 3.07Å; S201-D203 PolarHBondContact OG-OD2 2.74Å; D203-I205 HydrophobicContact CB-CD1 4.23Å; D203-I205 HydrophobicContact CB-CG1 4.19Å; D203-I205 PolarHBondContact O-N 3.32Å
204S95.1Very high94.3Very high76 Ų7667.8 Ų67.853%0.53134%0.338SS..  trans-70.1107.6171.8-171.60000109.4
205I97Very high94.2Very high19 Ų1975.1 Ų75.110%0.09737%0.372CS..  trans-128.3130.6-179.4-59.9166.8000108.8R155 F157 L198 D203 Y207R155-I205 HydrophobicContact CB-CG1 4.06Å; R155-I205 CarbonylContact O-C 3.55Å; R155-I205 WeakPolarHBondContact O-CA 3.02Å; F157-I205 HydrophobicContact CB-CG2 3.66Å; L198-I205 HydrophobicContact CB-CD1 3.68Å; L198-I205 HydrophobicContact CD1-CD1 4.14Å; L198-I205 HydrophobicContact CD2-CD1 3.66Å; L198-I205 HydrophobicContact CG-CD1 3.98Å; D203-I205 HydrophobicContact CB-CD1 4.23Å; D203-I205 HydrophobicContact CB-CG1 4.19Å; D203-I205 PolarHBondContact O-N 3.32Å; I205-Y207 HydrophobicContact CB-CE2 3.95Å; I205-Y207 HydrophobicContact CG2-CD1 4.24Å; I205-Y207 HydrophobicContact CG2-CD2 4.36Å; I205-Y207 HydrophobicContact CG2-CE1 3.83Å; I205-Y207 HydrophobicContact CG2-CE2 3.92Å; I205-Y207 WeakPolarHBondContact O-CD2 3.23Å
206Y97.5Very high94.2Very high76 Ų7676.9 Ų76.930%0.29838%0.384SS..EExtended strand (participates in β ladder)trans-94.3114.6176.8-67.5-96.9000109.4L154 R155 I156 F157 K228L154-Y206 HydrophobicContact CD1-CD2 3.53Å; L154-Y206 HydrophobicContact CD1-CE2 3.8Å; L154-Y206 HydrophobicContact CD1-CG 4.36Å; R155-Y206 PolarHBondContact O-N 3.44Å; I156-Y206 CarbonylContact C-O 3.55Å; I156-Y206 WeakPolarHBondContact CA-O 3.28Å; F157-Y206 PolarHBondContact N-O 3.5Å; Y206-K228 WeakPolarHBondContact OH-CE 3.32Å; Y206-K228 PolarHBondContact OH-NZ 3.05Å
207Y97Very high94.2Very high89 Ų8972.1 Ų72.135%0.34936%0.359SS..EExtended strand (participates in β ladder)trans-96132-178.1-63-81.8000111.1F157 K159 I205F157-Y207 HydrophobicContact CB-CD1 3.65Å; F157-Y207 HydrophobicContact CB-CE1 3.78Å; F157-Y207 AromaticContact CD1-CD1 3.82Å; F157-Y207 HydrophobicContact CD1-CD1 3.82Å; F157-Y207 AromaticContact CD1-CE1 3.91Å; F157-Y207 HydrophobicContact CD1-CE1 3.91Å; F157-Y207 HydrophobicContact CG-CD1 4.04Å; F157-Y207 AromaticContact CG-CE1 3.94Å; F157-Y207 HydrophobicContact CG-CE1 3.94Å; F157-Y207 WeakPolarHBondContact O-CA 3.32Å; K159-Y207 HydrophobicContact CD-CD1 4.17Å; K159-Y207 HydrophobicContact CG-CD1 4.13Å; I205-Y207 HydrophobicContact CB-CE2 3.95Å; I205-Y207 HydrophobicContact CG2-CD1 4.24Å; I205-Y207 HydrophobicContact CG2-CD2 4.36Å; I205-Y207 HydrophobicContact CG2-CE1 3.83Å; I205-Y207 HydrophobicContact CG2-CE2 3.92Å; I205-Y207 WeakPolarHBondContact O-CD2 3.23Å
208F97.2Very high94.3Very high25 Ų2571.3 Ų71.311%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-124.7144.5177.1-63.5-94.2000111.4I156 F157 L158 K159 L217 E220 I221 C224I156-F208 HydrophobicContact CD1-CE2 4.5Å; I156-F208 HydrophobicContact CG1-CE2 4.16Å; I156-F208 HydrophobicContact CG2-CD2 3.71Å; I156-F208 HydrophobicContact CG2-CE2 3.87Å; F157-F208 PolarHBondContact O-N 2.71Å; L158-F208 HydrophobicContact CD2-CB 3.99Å; K159-F208 PolarHBondContact N-O 3.34Å; F208-L217 HydrophobicContact CB-CD1 3.59Å; F208-L217 HydrophobicContact CG-CD1 4.44Å; F208-E220 HydrophobicContact CD1-CB 3.73Å; F208-E220 HydrophobicContact CE1-CB 3.75Å; F208-I221 HydrophobicContact CD1-CG1 4.09Å; F208-I221 HydrophobicContact CD2-CG1 4.15Å; F208-I221 HydrophobicContact CE1-CG1 4.28Å; F208-I221 HydrophobicContact CE2-CG1 4.31Å; F208-I221 HydrophobicContact CG-CG1 4.02Å; F208-I221 HydrophobicContact CZ-CG1 4.37Å; F208-C224 HydrophobicContact CE1-CB 4.39Å; F208-C224 HydrophobicContact CZ-CB 3.66Å
209D96.4Very high94.4Very high59 Ų5978.5 Ų78.532%0.31638%0.384SS..EExtended strand (participates in β ladder)trans-88.3112.2-179.8-171.7-4.2000111.3N211D209-N211 PolarHBondContact O-N 3.21Å; D209-N211 WeakPolarHBondContact OD1-CB 3.35Å; D209-N211 PolarHBondContact OD1-N 3.41Å; D209-N211 PolarHBondContact OD1-ND2 2.69Å
210S95.6Very high94.5Very high3 Ų374.8 Ų74.82%0.02137%0.366CS..THydrogen-bonded Turntrans-77.50.7178.2-57.50000114.4S18 L158 K159 R168S18-S210 VanDerWaalsContact O-CB 3.24Å; S18-S210 WeakPolarHBondContact O-CB 3.44Å; S18-S210 PolarHBondContact O-OG 2.87Å; L158-S210 WeakPolarHBondContact CB-OG 3.22Å; K159-S210 VanDerWaalsContact O-CB 3.22Å; K159-S210 WeakPolarHBondContact O-CB 3.19Å; K159-S210 PolarHBondContact O-N 3.12Å; K159-S210 PolarHBondContact O-OG 3.36Å; R168-S210 PolarHBondContact NH1-O 2.85Å; R168-S210 PolarHBondContact NH2-O 2.82Å
211N94.3Very high94.7Very high43 Ų4365 Ų6523%0.2333%0.328CS..THydrogen-bonded Turntrans-82.5-23.6-179.5-59-55.2000112.8I160 N164 D209 G213I160-N211 WeakPolarHBondContact CG1-OD1 3.25Å; N164-N211 PolarHBondContact ND2-OD1 3.46Å; D209-N211 PolarHBondContact O-N 3.21Å; D209-N211 WeakPolarHBondContact OD1-CB 3.35Å; D209-N211 PolarHBondContact OD1-N 3.41Å; D209-N211 PolarHBondContact OD1-ND2 2.69Å; N211-G213 PolarHBondContact O-N 2.9Å; N211-G213 VanDerWaalsContact O-N 3.12Å
212N86.5Confident94.9Very high90 Ų9064 Ų6448%0.48132%0.321SS..SBendtrans-85.422.3-169.4-63-28.1000115.2T216N212-T216 HydrophobicContact CB-CG2 4.29Å; N212-T216 WeakPolarHBondContact O-CB 3.37Å; N212-T216 PolarHBondContact O-OG1 2.76Å
213G90.5Very high95.4Very high37 Ų3761.3 Ų61.338%0.38131%0.311SS..  trans81.1159.4-178.400000113.9N211 E215 L217N211-G213 PolarHBondContact O-N 2.9Å; N211-G213 VanDerWaalsContact O-N 3.12Å; G213-E215 PolarHBondContact O-N 3.49Å; G213-L217 WeakPolarHBondContact O-CB 3.38Å; G213-L217 PolarHBondContact O-N 3.46Å
214I92.3Very high95.7Very high78 Ų7859.6 Ų59.640%0.430%0.303SS..Hα-helixtrans-71.4-31.2-169.2-163.8164.2000113.8T22 M23 F218T22-I214 HydrophobicContact CG2-CD1 3.4Å; T22-I214 VanDerWaalsContact CG2-CD1 3.4Å; T22-I214 HydrophobicContact CG2-CG1 4.47Å; M23-I214 HydrophobicContact CE-CD1 3.96Å; M23-I214 HydrophobicContact CE-CG1 3.37Å; I214-F218 VanDerWaalsContact O-CB 3.26Å; I214-F218 WeakPolarHBondContact O-CB 3.46Å; I214-F218 PolarHBondContact O-N 3.47Å
215E95.4Very high95.9Very high156 Ų15656 Ų5673%0.72928%0.278SS*.Hα-helixtrans-76-46.3-177.3-65.2-177.1173.400111.6G213 L217 F218 K219G213-E215 PolarHBondContact O-N 3.49Å; E215-L217 VanDerWaalsContact C-N 3.35Å; E215-L217 PolarHBondContact O-N 3.39Å; E215-F218 PolarHBondContact O-N 2.63Å; E215-K219 WeakPolarHBondContact O-CB 3.3Å; E215-K219 PolarHBondContact O-N 3.3Å
216T96.2Very high95.8Very high67 Ų6757.6 Ų57.641%0.41129%0.287SS..Hα-helixtrans-56.7-51.2173.9-47.60000110.3N212 F218 K219 E220N212-T216 HydrophobicContact CB-CG2 4.29Å; N212-T216 WeakPolarHBondContact O-CB 3.37Å; N212-T216 PolarHBondContact O-OG1 2.76Å; T216-F218 VanDerWaalsContact C-N 3.33Å; T216-F218 PolarHBondContact O-N 2.91Å; T216-K219 PolarHBondContact O-N 3.35Å; T216-E220 WeakPolarHBondContact O-CG 3.32Å; T216-E220 PolarHBondContact O-N 3.2Å
217L96.3Very high95.8Very high5 Ų558.4 Ų58.43%0.02629%0.293CS..Hα-helixtrans-57.8-45.6178.8-178.263.7000111.9M23 L158 F208 G213 E215 K219 E220 I221M23-L217 HydrophobicContact CG-CD2 3.81Å; M23-L217 HydrophobicContact CG-CG 4.24Å; M23-L217 HydrophobicContact SD-CB 4.27Å; M23-L217 HydrophobicContact SD-CD2 3.78Å; M23-L217 HydrophobicContact SD-CG 3.76Å; L158-L217 HydrophobicContact CD1-CD2 4.44Å; L158-L217 HydrophobicContact CD2-CD1 4.23Å; F208-L217 HydrophobicContact CB-CD1 3.59Å; F208-L217 HydrophobicContact CG-CD1 4.44Å; G213-L217 WeakPolarHBondContact O-CB 3.38Å; G213-L217 PolarHBondContact O-N 3.46Å; E215-L217 VanDerWaalsContact C-N 3.35Å; E215-L217 PolarHBondContact O-N 3.39Å; L217-K219 PolarHBondContact O-N 3.13Å; L217-E220 PolarHBondContact O-N 3.19Å; L217-I221 HydrophobicContact CD1-CD1 3.91Å; L217-I221 HydrophobicContact CD1-CG1 4.36Å; L217-I221 HydrophobicContact CG-CD1 3.86Å; L217-I221 WeakPolarHBondContact O-CB 3.21Å; L217-I221 WeakPolarHBondContact O-CG1 3.48Å; L217-I221 PolarHBondContact O-N 2.96Å
218F97.7Very high95.7Very high49 Ų4955.8 Ų55.822%0.21528%0.284CS..Hα-helixtrans-61.9-45.1179178.4-114.3000111.9M23 K26 I214 E215 T216 E220 I221 C222M23-F218 HydrophobicContact CE-CB 4.26Å; M23-F218 HydrophobicContact SD-CB 4Å; M23-F218 HydrophobicContact SD-CD2 4.44Å; K26-F218 HydrophobicContact CB-CD2 3.65Å; K26-F218 HydrophobicContact CB-CE2 3.38Å; K26-F218 HydrophobicContact CB-CG 4.48Å; K26-F218 HydrophobicContact CB-CZ 4.02Å; K26-F218 HydrophobicContact CD-CD2 4.11Å; K26-F218 HydrophobicContact CD-CE2 4.49Å; K26-F218 HydrophobicContact CD-CG 4.2Å; I214-F218 VanDerWaalsContact O-CB 3.26Å; I214-F218 WeakPolarHBondContact O-CB 3.46Å; I214-F218 PolarHBondContact O-N 3.47Å; E215-F218 PolarHBondContact O-N 2.63Å; T216-F218 VanDerWaalsContact C-N 3.33Å; T216-F218 PolarHBondContact O-N 2.91Å; F218-E220 PolarHBondContact O-N 3.41Å; F218-I221 PolarHBondContact O-N 2.96Å; F218-C222 WeakPolarHBondContact CE2-SG 3.31Å; F218-C222 WeakPolarHBondContact CZ-SG 3.27Å; F218-C222 WeakPolarHBondContact O-CB 3.19Å; F218-C222 PolarHBondContact O-N 3.41Å; F218-C222 PolarHBondContact O-SG 3.43Å
219K97.3Very high95.5Very high153 Ų15354.7 Ų54.767%0.66528%0.279SS*.Hα-helixtrans-60-45.7178.6-175.5-179177.4-1770111.8E215 T216 L217 C222 Q223E215-K219 WeakPolarHBondContact O-CB 3.3Å; E215-K219 PolarHBondContact O-N 3.3Å; T216-K219 PolarHBondContact O-N 3.35Å; L217-K219 PolarHBondContact O-N 3.13Å; K219-C222 PolarHBondContact O-N 3.05Å; K219-Q223 WeakPolarHBondContact O-CB 3.15Å; K219-Q223 PolarHBondContact O-N 3.31Å
220E97.6Very high95.2Very high71 Ų7158.6 Ų58.633%0.33229%0.29SS..Hα-helixtrans-63.4-45.2179.1-69.7175.1170.800111.9F208 T216 L217 F218 Q223 C224F208-E220 HydrophobicContact CD1-CB 3.73Å; F208-E220 HydrophobicContact CE1-CB 3.75Å; T216-E220 WeakPolarHBondContact O-CG 3.32Å; T216-E220 PolarHBondContact O-N 3.2Å; L217-E220 PolarHBondContact O-N 3.19Å; F218-E220 PolarHBondContact O-N 3.41Å; E220-Q223 PolarHBondContact O-N 2.87Å; E220-C224 PolarHBondContact O-N 3.42Å
221I97.8Very high95Very high0 Ų061.7 Ų61.70%031%0.306CS..Hα-helixtrans-63.3-47.7176.9-71171000110.6M23 L27 I156 L158 F208 L217 F218 Q223 C224 V225M23-I221 HydrophobicContact CB-CD1 4.08Å; M23-I221 HydrophobicContact CG-CD1 3.78Å; M23-I221 HydrophobicContact SD-CD1 3.98Å; L27-I221 HydrophobicContact CD2-CG2 4.18Å; I156-I221 HydrophobicContact CD1-CG2 4.11Å; L158-I221 HydrophobicContact CD2-CD1 3.8Å; F208-I221 HydrophobicContact CD1-CG1 4.09Å; F208-I221 HydrophobicContact CD2-CG1 4.15Å; F208-I221 HydrophobicContact CE1-CG1 4.28Å; F208-I221 HydrophobicContact CE2-CG1 4.31Å; F208-I221 HydrophobicContact CG-CG1 4.02Å; F208-I221 HydrophobicContact CZ-CG1 4.37Å; L217-I221 HydrophobicContact CD1-CD1 3.91Å; L217-I221 HydrophobicContact CD1-CG1 4.36Å; L217-I221 HydrophobicContact CG-CD1 3.86Å; L217-I221 WeakPolarHBondContact O-CB 3.21Å; L217-I221 WeakPolarHBondContact O-CG1 3.48Å; L217-I221 PolarHBondContact O-N 2.96Å; F218-I221 PolarHBondContact O-N 2.96Å; I221-Q223 VanDerWaalsContact C-N 3.32Å; I221-Q223 PolarHBondContact O-N 3.39Å; I221-C224 PolarHBondContact O-N 2.92Å; I221-V225 HydrophobicContact CG2-CG2 4.11Å; I221-V225 WeakPolarHBondContact O-CB 3.23Å; I221-V225 VanDerWaalsContact O-CG2 3.26Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.22Å
222C97.4Very high94.6Very high11 Ų1161 Ų617%0.07431%0.306CS..Hα-helixtrans-58.7-43.4177.9-82.20000112.1F218 K219 V225 N226F218-C222 WeakPolarHBondContact CE2-SG 3.31Å; F218-C222 WeakPolarHBondContact CZ-SG 3.27Å; F218-C222 WeakPolarHBondContact O-CB 3.19Å; F218-C222 PolarHBondContact O-N 3.41Å; F218-C222 PolarHBondContact O-SG 3.43Å; K219-C222 PolarHBondContact O-N 3.05Å; C222-V225 PolarHBondContact O-N 3.48Å; C222-N226 WeakPolarHBondContact O-CB 3.4Å; C222-N226 VanDerWaalsContact O-CG 3.25Å; C222-N226 PolarHBondContact O-N 3.44Å; C222-N226 PolarHBondContact O-ND2 3.06Å; C222-N226 VanDerWaalsContact O-ND2 3.14Å
223Q97.7Very high94.4Very high132 Ų13258.3 Ų58.362%0.61729%0.292SS*.Hα-helixtrans-60-47.8177-177.7176.6-10.400111.2K219 E220 I221 E227K219-Q223 WeakPolarHBondContact O-CB 3.15Å; K219-Q223 PolarHBondContact O-N 3.31Å; E220-Q223 PolarHBondContact O-N 2.87Å; I221-Q223 VanDerWaalsContact C-N 3.32Å; I221-Q223 PolarHBondContact O-N 3.39Å; Q223-E227 WeakPolarHBondContact O-CB 3.38Å; Q223-E227 PolarHBondContact O-N 3.39Å; Q223-E227 VanDerWaalsContact O-N 3.11Å
224C98Very high93.9Very high12 Ų1259.1 Ų59.18%0.08129%0.286CS..Hα-helixtrans-60.4-49177.2-179.50000111.8F208 E220 I221 N226 E227 K228F208-C224 HydrophobicContact CE1-CB 4.39Å; F208-C224 HydrophobicContact CZ-CB 3.66Å; E220-C224 PolarHBondContact O-N 3.42Å; I221-C224 PolarHBondContact O-N 2.92Å; C224-N226 PolarHBondContact O-N 3.1Å; C224-E227 PolarHBondContact O-N 3.34Å; C224-K228 WeakPolarHBondContact O-CG 3.41Å; C224-K228 PolarHBondContact O-N 2.97Å
225V97.6Very high92.7Very high0 Ų064.6 Ų64.60%030%0.302CS..Hα-helixtrans-61.9-46.3-178170.70000111.3I10 L27 L31 L154 I156 I221 C222 E227 K228 I229I10-V225 HydrophobicContact CD1-CG1 3.78Å; I10-V225 HydrophobicContact CD1-CG2 4.42Å; L27-V225 HydrophobicContact CD1-CB 4.24Å; L27-V225 HydrophobicContact CD1-CG1 4.14Å; L27-V225 HydrophobicContact CD1-CG2 4.22Å; L27-V225 HydrophobicContact CD2-CG1 4.48Å; L27-V225 HydrophobicContact CD2-CG2 3.86Å; L31-V225 HydrophobicContact CD1-CG1 4.3Å; L31-V225 HydrophobicContact CD2-CG1 4.19Å; L154-V225 HydrophobicContact CD2-CB 4.5Å; L154-V225 HydrophobicContact CD2-CG2 3.86Å; I156-V225 HydrophobicContact CD1-CG2 3.83Å; I221-V225 HydrophobicContact CG2-CG2 4.11Å; I221-V225 WeakPolarHBondContact O-CB 3.23Å; I221-V225 VanDerWaalsContact O-CG2 3.26Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.22Å; C222-V225 PolarHBondContact O-N 3.48Å; V225-E227 VanDerWaalsContact C-N 3.34Å; V225-E227 PolarHBondContact O-N 2.94Å; V225-K228 PolarHBondContact O-N 3.32Å; V225-I229 HydrophobicContact CG1-CD1 3.49Å; V225-I229 VanDerWaalsContact CG1-CD1 3.49Å; V225-I229 HydrophobicContact CG1-CG1 4.24Å; V225-I229 WeakPolarHBondContact O-CB 3.4Å; V225-I229 WeakPolarHBondContact O-CG1 3.46Å; V225-I229 PolarHBondContact O-N 2.97Å
226N96.2Very high91.1Very high53 Ų5361.5 Ų61.528%0.28329%0.287SS..Hα-helixtrans-58.9-45.1176.9-74.8-32.9000111.7Y30 C222 C224 K228 Y230Y30-N226 WeakPolarHBondContact CE1-OD1 3.18Å; Y30-N226 PolarHBondContact OH-ND2 3.46Å; Y30-N226 PolarHBondContact OH-OD1 3.16Å; C222-N226 WeakPolarHBondContact O-CB 3.4Å; C222-N226 VanDerWaalsContact O-CG 3.25Å; C222-N226 PolarHBondContact O-N 3.44Å; C222-N226 PolarHBondContact O-ND2 3.06Å; C222-N226 VanDerWaalsContact O-ND2 3.14Å; C224-N226 PolarHBondContact O-N 3.1Å; N226-K228 VanDerWaalsContact C-N 3.35Å; N226-K228 PolarHBondContact O-N 3.02Å; N226-Y230 VanDerWaalsContact O-CB 3.28Å; N226-Y230 WeakPolarHBondContact O-CB 3.49Å; N226-Y230 PolarHBondContact O-N 3.49Å
227E96.4Very high89.4Confident94 Ų9463.2 Ų63.244%0.43929%0.289SS..Hα-helixtrans-59.8-44.8177.6-171.6-159.3128.700111.4Q223 C224 V225 Y230 L231Q223-E227 WeakPolarHBondContact O-CB 3.38Å; Q223-E227 PolarHBondContact O-N 3.39Å; Q223-E227 VanDerWaalsContact O-N 3.11Å; C224-E227 PolarHBondContact O-N 3.34Å; V225-E227 VanDerWaalsContact C-N 3.34Å; V225-E227 PolarHBondContact O-N 2.94Å; E227-Y230 PolarHBondContact O-N 3.31Å; E227-L231 HydrophobicContact CG-CD1 4.25Å; E227-L231 VanDerWaalsContact O-CG 3.31Å; E227-L231 WeakPolarHBondContact O-CG 3.16Å; E227-L231 PolarHBondContact O-N 3.4Å
228K95.4Very high87.6Confident34 Ų3468.8 Ų68.815%0.14831%0.314CS..Hα-helixtrans-73.4-37.5-176.9-59.4-45.5173-169.80113.4Y8 L154 Y206 C224 V225 N226 Y230 L231 A232Y8-K228 WeakPolarHBondContact OH-CB 3.4Å; L154-K228 HydrophobicContact CD1-CG 4.03Å; L154-K228 HydrophobicContact CD2-CB 4.21Å; L154-K228 HydrophobicContact CD2-CG 4.29Å; Y206-K228 WeakPolarHBondContact OH-CE 3.32Å; Y206-K228 PolarHBondContact OH-NZ 3.05Å; C224-K228 WeakPolarHBondContact O-CG 3.41Å; C224-K228 PolarHBondContact O-N 2.97Å; V225-K228 PolarHBondContact O-N 3.32Å; N226-K228 VanDerWaalsContact C-N 3.35Å; N226-K228 PolarHBondContact O-N 3.02Å; K228-Y230 VanDerWaalsContact C-N 3.33Å; K228-L231 HydrophobicContact CD-CD1 4.26Å; K228-L231 PolarHBondContact O-N 2.99Å; K228-A232 WeakPolarHBondContact O-CB 3.48Å; K228-A232 PolarHBondContact O-N 3.05Å
229I92.7Very high85.5Confident2 Ų274.7 Ų74.71%0.0134%0.34CS..Hα-helixtrans-64.7-40.5172.7-67.4169.3000110.4Y8 L31 Y36 I132 I134 V225 A232 N233Y8-I229 HydrophobicContact CD1-CG1 4.05Å; Y8-I229 HydrophobicContact CE1-CG1 4.06Å; L31-I229 HydrophobicContact CD2-CD1 3.84Å; Y36-I229 HydrophobicContact CE1-CG2 4.08Å; Y36-I229 HydrophobicContact CE2-CG2 4.34Å; Y36-I229 VanDerWaalsContact OH-CG2 3.25Å; Y36-I229 WeakPolarHBondContact OH-CG2 3.25Å; I132-I229 HydrophobicContact CD1-CG2 4.4Å; I134-I229 HydrophobicContact CD1-CD1 3.61Å; V225-I229 HydrophobicContact CG1-CD1 3.49Å; V225-I229 VanDerWaalsContact CG1-CD1 3.49Å; V225-I229 HydrophobicContact CG1-CG1 4.24Å; V225-I229 WeakPolarHBondContact O-CB 3.4Å; V225-I229 WeakPolarHBondContact O-CG1 3.46Å; V225-I229 PolarHBondContact O-N 2.97Å; I229-A232 PolarHBondContact O-N 3.16Å; I229-N233 PolarHBondContact O-N 2.64Å; I229-N233 PolarHBondContact O-ND2 2.77Å
230Y91.3Very high83.5Confident140 Ų14073 Ų7355%0.54934%0.339SS..Hα-helixtrans-60.8-49.8175.7179.2-94000111.5N226 E227 K228 A232 N233 E234N226-Y230 VanDerWaalsContact O-CB 3.28Å; N226-Y230 WeakPolarHBondContact O-CB 3.49Å; N226-Y230 PolarHBondContact O-N 3.49Å; E227-Y230 PolarHBondContact O-N 3.31Å; K228-Y230 VanDerWaalsContact C-N 3.33Å; Y230-A232 VanDerWaalsContact C-N 3.29Å; Y230-A232 PolarHBondContact O-N 3Å; Y230-N233 WeakPolarHBondContact O-CB 3.26Å; Y230-N233 PolarHBondContact O-N 2.98Å; Y230-N233 VanDerWaalsContact O-N 3.14Å; Y230-E234 HydrophobicContact CD1-CG 4.11Å; Y230-E234 HydrophobicContact CE1-CG 3.59Å; Y230-E234 HydrophobicContact CE2-CG 4.18Å; Y230-E234 PolarHBondContact O-N 3.23Å
231L89.9Confident81.4Confident69 Ų6976.2 Ų76.236%0.36135%0.353SS..Hα-helixtrans-62.1-35.6178.5-71.1171.3000112.9E227 K228 E234 R235E227-L231 HydrophobicContact CG-CD1 4.25Å; E227-L231 VanDerWaalsContact O-CG 3.31Å; E227-L231 WeakPolarHBondContact O-CG 3.16Å; E227-L231 PolarHBondContact O-N 3.4Å; K228-L231 HydrophobicContact CD-CD1 4.26Å; K228-L231 PolarHBondContact O-N 2.99Å; L231-E234 PolarHBondContact O-N 2.84Å; L231-R235 WeakPolarHBondContact O-CG 3.22Å; L231-R235 PolarHBondContact O-N 3.28Å; L231-R235 VanDerWaalsContact O-N 3.13Å
232A86.3Confident78.7Confident27 Ų2784 Ų8422%0.22339%0.388CS..Hα-helixtrans-64.1-41.8174.800000111.5Y8 K228 I229 Y230Y8-A232 HydrophobicContact CD2-CB 3.97Å; Y8-A232 HydrophobicContact CE2-CB 3.61Å; K228-A232 WeakPolarHBondContact O-CB 3.48Å; K228-A232 PolarHBondContact O-N 3.05Å; I229-A232 PolarHBondContact O-N 3.16Å; Y230-A232 VanDerWaalsContact C-N 3.29Å; Y230-A232 PolarHBondContact O-N 3Å
233N82.3Confident76.2Confident34 Ų3489.3 Ų89.318%0.18242%0.422CS..Hα-helixtrans-64.5-41175.4-80.3-58.3000113.1I132 I229 Y230 K237I132-N233 WeakPolarHBondContact CD1-ND2 3.3Å; I132-N233 WeakPolarHBondContact CD1-OD1 3.49Å; I229-N233 PolarHBondContact O-N 2.64Å; I229-N233 PolarHBondContact O-ND2 2.77Å; Y230-N233 WeakPolarHBondContact O-CB 3.26Å; Y230-N233 PolarHBondContact O-N 2.98Å; Y230-N233 VanDerWaalsContact O-N 3.14Å; N233-K237 PolarHBondContact O-N 2.86Å
234E79.2Confident73.7Confident55 Ų5596.4 Ų96.426%0.25745%0.451SS..Hα-helixtrans-74-40.2-175.5-69.8-62.4112.600113.4Y230 L231 E236 K237 H238Y230-E234 HydrophobicContact CD1-CG 4.11Å; Y230-E234 HydrophobicContact CE1-CG 3.59Å; Y230-E234 HydrophobicContact CE2-CG 4.18Å; Y230-E234 PolarHBondContact O-N 3.23Å; L231-E234 PolarHBondContact O-N 2.84Å; E234-E236 PolarHBondContact O-N 3.32Å; E234-K237 PolarHBondContact O-N 3.01Å; E234-K237 IonicContact OE1-NZ 2.85Å; E234-K237 PolarHBondContact OE1-NZ 3.46Å; E234-H238 PolarHBondContact O-N 3.41Å
235R68.7Low72.5Confident193 Ų193100.6 Ų100.673%0.72847%0.469SS*.Hα-helixtrans-57.8-31.6179.1-79.6-179.1178.6-175.5-0.1112.8L231L231-R235 WeakPolarHBondContact O-CG 3.22Å; L231-R235 PolarHBondContact O-N 3.28Å; L231-R235 VanDerWaalsContact O-N 3.13Å
236E61.1Low71.1Confident91 Ų91105.9 Ų105.943%0.42549%0.494SS..Hα-helixtrans-85.4-33-178.2-73.3-172.4157.400113.5R6 E234 H238 F239 D240R6-E236 VanDerWaalsContact CD-OE2 3.23Å; R6-E236 WeakPolarHBondContact CD-OE2 3.48Å; R6-E236 IonicContact CZ-OE2 2.79Å; R6-E236 IonicContact NE-OE2 3.57Å; R6-E236 PolarHBondContact NE-OE2 3.45Å; R6-E236 IonicContact NH1-OE2 3.01Å; E234-E236 PolarHBondContact O-N 3.32Å; E236-H238 PolarHBondContact O-N 3.38Å; E236-F239 PolarHBondContact O-N 2.9Å; E236-D240 PolarHBondContact O-N 3.07Å
237K61.1Low69.7Low103 Ų103108.8 Ų108.845%0.44851%0.506SS..Hα-helixtrans-56.3-41173.9-72.2177.5-172.3165.50111.5N233 E234 F239 D240 E241N233-K237 PolarHBondContact O-N 2.86Å; E234-K237 PolarHBondContact O-N 3.01Å; E234-K237 IonicContact OE1-NZ 2.85Å; E234-K237 PolarHBondContact OE1-NZ 3.46Å; K237-F239 VanDerWaalsContact C-N 3.29Å; K237-F239 PolarHBondContact O-N 3.46Å; K237-D240 PolarHBondContact O-N 2.97Å; K237-E241 WeakPolarHBondContact O-CG 3.31Å; K237-E241 PolarHBondContact O-N 3.46Å
238H57.4Low68.2Low122 Ų122109.7 Ų109.757%0.56551%0.51SS*.Hα-helixtrans-69.1-23.4176.2-87.2-46.1000114.4E234 E236 E241 F242E234-H238 PolarHBondContact O-N 3.41Å; E236-H238 PolarHBondContact O-N 3.38Å; H238-E241 IonicContact ND1-OE2 3.55Å; H238-E241 PolarHBondContact ND1-OE2 2.99Å; H238-F242 WeakPolarHBondContact O-CD2 3.36Å
239F54.9Low66.5Low172 Ų172114.4 Ų114.475%0.75453%0.532SS*.Hα-helixtrans-79.8-36.2175.5-115.2-88.1000111.9E236 K237 E241E236-F239 PolarHBondContact O-N 2.9Å; K237-F239 VanDerWaalsContact C-N 3.29Å; K237-F239 PolarHBondContact O-N 3.46Å; F239-E241 VanDerWaalsContact C-N 3.26Å; F239-E241 PolarHBondContact O-N 3.2Å
240D53.6Low64.7Low118 Ų118121.9 Ų121.963%0.63157%0.567SS**Hα-helixtrans-72.1-18.6177.3-70.4-33.4000112.9R6 E236 K237R6-D240 IonicContact NH2-OD2 2.96Å; R6-D240 PolarHBondContact NH2-OD2 3.46Å; E236-D240 PolarHBondContact O-N 3.07Å; K237-D240 PolarHBondContact O-N 2.97Å
241E53.9Low62.8Low138 Ų138120.6 Ų120.665%0.64557%0.568SS**THydrogen-bonded Turntrans-81.6-8.9178.1-78.7177.4175.200114.5K237 H238 F239 P243K237-E241 WeakPolarHBondContact O-CG 3.31Å; K237-E241 PolarHBondContact O-N 3.46Å; H238-E241 IonicContact ND1-OE2 3.55Å; H238-E241 PolarHBondContact ND1-OE2 2.99Å; F239-E241 VanDerWaalsContact C-N 3.26Å; F239-E241 PolarHBondContact O-N 3.2Å; E241-P243 WeakPolarHBondContact O-CD 3.28Å
242F41.4Very low60.7Low164 Ų164124.6 Ų124.672%0.71958%0.584SS**SBendtrans-81.5120.1171.6-85.1-86.3000110.1H238 K244H238-F242 WeakPolarHBondContact O-CD2 3.36Å; F242-K244 PolarHBondContact O-N 3.26Å
243P44.8Very low58.6Low123 Ų123132.8 Ų132.880%0.79961%0.614SS**  trans-63.5130176.525-29.7000109.5E241E241-P243 WeakPolarHBondContact O-CD 3.28Å
244K44.9Very low56.5Low280 Ų280141.7 Ų141.7100%1.21765%0.654SS**  trans-590172.7-75.1-176.6177.9176.70112.3F242F242-K244 PolarHBondContact O-N 3.26Å

Retrieved 244 of 244 residues in 103.8 ms (Link to these results)

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