X5LVA8_CAEEL Loading...

GHMP kinase C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession X5LVA8, Species CAEEL (Caenorhabditis elegans), Gene tag-96, Length 244 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M88.9Confident91Very high137 Ų13797.5 Ų97.568%0.67553%0.534SS*.  0-55.10-177.1-172.6-6200107.6Q3 A4 A5 I17 F19M1-Q3 PolarHBondContact O-N 3.3Å; M1-A4 WeakPolarHBondContact O-CA 3.45Å; M1-A4 WeakPolarHBondContact O-CB 3.32Å; M1-A4 PolarHBondContact O-N 3.11Å; M1-A5 PolarHBondContact O-N 3.2Å; M1-I17 HydrophobicContact CG-CD1 4.34Å; M1-F19 HydrophobicContact CB-CZ 4.19Å
2D89.9Confident90.4Very high112 Ų11291 Ų9160%0.59951%0.507SS*.Hα-helixtrans-48.4-51.7-179.8-49.21.5000112.8A4 A5 E6D2-A4 VanDerWaalsContact C-N 3.31Å; D2-A4 PolarHBondContact O-N 3.28Å; D2-A5 PolarHBondContact O-N 3.09Å; D2-E6 WeakPolarHBondContact O-CB 3.42Å; D2-E6 PolarHBondContact O-N 3.11Å
3Q93.4Very high90.5Very high134 Ų13487.2 Ų87.263%0.62649%0.487SS*.Hα-helixtrans-62.5-37.6178.5-53.387.5-17.100112.7M1 V7M1-Q3 PolarHBondContact O-N 3.3Å; Q3-V7 VanDerWaalsContact O-CG2 3.32Å; Q3-V7 WeakPolarHBondContact O-CG2 3.2Å; Q3-V7 PolarHBondContact O-N 2.9Å; Q3-V7 VanDerWaalsContact O-N 3.16Å
4A92.1Very high90.7Very high14 Ų1483.3 Ų83.312%0.11647%0.472CS..Hα-helixtrans-72.3-37.6178.800000110.9M1 D2 L8 I17 L22M1-A4 WeakPolarHBondContact O-CA 3.45Å; M1-A4 WeakPolarHBondContact O-CB 3.32Å; M1-A4 PolarHBondContact O-N 3.11Å; D2-A4 VanDerWaalsContact C-N 3.31Å; D2-A4 PolarHBondContact O-N 3.28Å; A4-L8 HydrophobicContact CB-CD1 4.28Å; A4-L8 WeakPolarHBondContact O-CB 3.46Å; A4-L8 VanDerWaalsContact O-CG 3.31Å; A4-L8 WeakPolarHBondContact O-CG 3.11Å; A4-L8 PolarHBondContact O-N 2.75Å; A4-I17 HydrophobicContact CB-CD1 4Å; A4-I17 HydrophobicContact CB-CG2 4.19Å; A4-L22 HydrophobicContact CB-CD1 4.24Å
5A91Very high90.9Very high40 Ų4080.5 Ų80.533%0.33146%0.455SS..Hα-helixtrans-64.8-42.9174.400000111.3M1 D2 V7 A9 I17M1-A5 PolarHBondContact O-N 3.2Å; D2-A5 PolarHBondContact O-N 3.09Å; A5-V7 PolarHBondContact O-N 3.02Å; A5-A9 WeakPolarHBondContact O-CB 3.38Å; A5-A9 PolarHBondContact O-N 2.72Å; A5-A9 VanDerWaalsContact O-N 3.1Å; A5-I17 HydrophobicContact CB-CD1 4.16Å
6E91.4Very high91.2Very high166 Ų16677.7 Ų77.778%0.77644%0.435SS*.Hα-helixtrans-60.3-43177.7-175.6178.2-175.300112.5D2D2-E6 WeakPolarHBondContact O-CB 3.42Å; D2-E6 PolarHBondContact O-N 3.11Å
7V94.3Very high91.4Very high115 Ų11574.4 Ų74.470%0.69742%0.416SS*.Hα-helixtrans-85-33.8-175175.20000113.1Q3 A5Q3-V7 VanDerWaalsContact O-CG2 3.32Å; Q3-V7 WeakPolarHBondContact O-CG2 3.2Å; Q3-V7 PolarHBondContact O-N 2.9Å; Q3-V7 VanDerWaalsContact O-N 3.16Å; A5-V7 PolarHBondContact O-N 3.02Å
8L93.3Very high91.5Very high58 Ų5873.3 Ų73.330%0.30441%0.409SS..Hα-helixtrans-104.6-0.8-170.2-55.3172.9000113.6A4 L15 L22A4-L8 HydrophobicContact CB-CD1 4.28Å; A4-L8 WeakPolarHBondContact O-CB 3.46Å; A4-L8 VanDerWaalsContact O-CG 3.31Å; A4-L8 WeakPolarHBondContact O-CG 3.11Å; A4-L8 PolarHBondContact O-N 2.75Å; L8-L15 HydrophobicContact CB-CD2 3.75Å; L8-L22 HydrophobicContact CD1-CD2 4.48Å
9A91Very high91.5Very high68 Ų6873.9 Ų73.956%0.56241%0.407SS*.  trans-60.4142.4177.300000111.5A5A5-A9 WeakPolarHBondContact O-CB 3.38Å; A5-A9 PolarHBondContact O-N 2.72Å; A5-A9 VanDerWaalsContact O-N 3.1Å
10S88.6Confident91.2Very high54 Ų5475.5 Ų75.538%0.37842%0.415SS..  trans-124134.5173.4-62.70000108.8G12 T13 N26S10-G12 PolarHBondContact O-N 2.67Å; S10-T13 PolarHBondContact O-N 3.03Å; S10-T13 PolarHBondContact O-OG1 3.43Å; S10-T13 VanDerWaalsContact O-OG1 3.11Å; S10-N26 PolarHBondContact OG-ND2 2.85Å
11E87.1Confident91.2Very high174 Ų17475.7 Ų75.781%0.81342%0.42SS*.THydrogen-bonded Turntrans-51.6135-179.8-173.6175.2-172.200111.4T13E11-T13 VanDerWaalsContact C-N 3.29Å; E11-T13 PolarHBondContact O-N 3.11Å
12G84.4Confident91.5Very high20 Ų2074.1 Ų74.121%0.20641%0.413CS..THydrogen-bonded Turntrans77.32.7175.400000117.2S10 A236S10-G12 PolarHBondContact O-N 2.67Å; G12-A236 VanDerWaalsContact CA-CA 3.44Å
13T90.7Very high91.7Very high41 Ų4176.8 Ų76.825%0.25242%0.415SS..  trans-126.5150.5176.962.70000111.7S10 E11 N26S10-T13 PolarHBondContact O-N 3.03Å; S10-T13 PolarHBondContact O-OG1 3.43Å; S10-T13 VanDerWaalsContact O-OG1 3.11Å; E11-T13 VanDerWaalsContact C-N 3.29Å; E11-T13 PolarHBondContact O-N 3.11Å; T13-N26 HydrophobicContact CG2-CB 4.18Å
14A93.3Very high91.8Very high33 Ų3373.2 Ų73.227%0.27341%0.405SS..EExtended strand (participates in β ladder)trans-79.8168.3161.400000109.8N26 I27 L29A14-N26 CarbonylContact O-C 3.49Å; A14-N26 WeakPolarHBondContact O-CA 3.31Å; A14-I27 HydrophobicContact CB-CB 4.18Å; A14-I27 PolarHBondContact N-O 3.31Å; A14-I27 PolarHBondContact O-N 3.01Å; A14-L29 HydrophobicContact CB-CD1 3.94Å; A14-L29 HydrophobicContact CB-CD2 4.1Å; A14-L29 HydrophobicContact CB-CG 3.9Å
15L94.3Very high91.9Very high42 Ų4278 Ų7822%0.2242%0.423CS..EExtended strand (participates in β ladder)trans-124.8120.2-176.7-164.868.6000111.2L8 I17 N26L8-L15 HydrophobicContact CB-CD2 3.75Å; L15-I17 HydrophobicContact CB-CG1 4.47Å; L15-I17 HydrophobicContact CD2-CD1 3.84Å; L15-I17 HydrophobicContact CD2-CG1 3.66Å; L15-I17 HydrophobicContact CG-CD1 4.43Å; L15-I17 HydrophobicContact CG-CG1 3.81Å; L15-N26 VanDerWaalsContact CD1-OD1 3.29Å; L15-N26 WeakPolarHBondContact CD1-OD1 3.34Å
16R95.8Very high92.1Very high35 Ų3579.9 Ų79.913%0.13243%0.428CS..EExtended strand (participates in β ladder)trans-85121.2162.9170.459.3172.2-170.9-21.4107.9D18 S24 K25 I27R16-D18 IonicContact CZ-OD1 3.88Å; R16-D18 IonicContact NE-OD1 3.89Å; R16-D18 IonicContact NE-OD2 3.58Å; R16-D18 IonicContact NH2-OD1 3.52Å; R16-S24 CarbonylContact O-C 3.49Å; R16-S24 VanDerWaalsContact O-CA 3.24Å; R16-S24 WeakPolarHBondContact O-CA 3.36Å; R16-K25 HydrophobicContact CB-CB 4.26Å; R16-K25 PolarHBondContact N-O 3.28Å; R16-K25 PolarHBondContact O-N 2.76Å; R16-I27 HydrophobicContact CB-CD1 3.88Å; R16-I27 HydrophobicContact CB-CG1 3.74Å
17I95.2Very high92.3Very high22 Ų2272.9 Ų72.911%0.11340%0.395CS..EExtended strand (participates in β ladder)trans-114.2123.9178.7-51.3171.5000108.5M1 A4 A5 L15 F19 L22 R23M1-I17 HydrophobicContact CG-CD1 4.34Å; A4-I17 HydrophobicContact CB-CD1 4Å; A4-I17 HydrophobicContact CB-CG2 4.19Å; A5-I17 HydrophobicContact CB-CD1 4.16Å; L15-I17 HydrophobicContact CB-CG1 4.47Å; L15-I17 HydrophobicContact CD2-CD1 3.84Å; L15-I17 HydrophobicContact CD2-CG1 3.66Å; L15-I17 HydrophobicContact CG-CD1 4.43Å; L15-I17 HydrophobicContact CG-CG1 3.81Å; I17-F19 HydrophobicContact CB-CZ 4.43Å; I17-F19 HydrophobicContact CG2-CE1 3.93Å; I17-F19 HydrophobicContact CG2-CE2 4.03Å; I17-F19 HydrophobicContact CG2-CZ 3.62Å; I17-L22 HydrophobicContact CG2-CD1 3.8Å; I17-R23 WeakPolarHBondContact CA-O 3.47Å
18D93.1Very high92.2Very high54 Ų5473 Ų7329%0.28939%0.388SS..EExtended strand (participates in β ladder)trans-108.6148.1169.9-72.7-67.9000109.7R16 L22 R23 K80R16-D18 IonicContact CZ-OD1 3.88Å; R16-D18 IonicContact NE-OD1 3.89Å; R16-D18 IonicContact NE-OD2 3.58Å; R16-D18 IonicContact NH2-OD1 3.52Å; D18-L22 WeakPolarHBondContact O-CA 3.3Å; D18-R23 HydrophobicContact CB-CB 4.44Å; D18-R23 PolarHBondContact N-O 3.43Å; D18-R23 PolarHBondContact O-N 2.9Å; D18-K80 IonicContact OD1-NZ 2.68Å; D18-K80 PolarHBondContact OD1-NZ 3.02Å
19F91.3Very high92.3Very high86 Ų8671.4 Ų71.438%0.37738%0.38SS..THydrogen-bonded Turntrans-117.6151.9-178.1-60.9-80.6000110.2M1 I17 P21 L22M1-F19 HydrophobicContact CB-CZ 4.19Å; I17-F19 HydrophobicContact CB-CZ 4.43Å; I17-F19 HydrophobicContact CG2-CE1 3.93Å; I17-F19 HydrophobicContact CG2-CE2 4.03Å; I17-F19 HydrophobicContact CG2-CZ 3.62Å; F19-P21 CarbonylContact C-O 3.58Å; F19-P21 VanDerWaalsContact C-O 3.26Å; F19-L22 HydrophobicContact CD1-CD1 4.07Å; F19-L22 HydrophobicContact CE1-CD1 4.05Å
20N85.6Confident92.4Very high104 Ų10468.3 Ų68.356%0.55635%0.354SS*.THydrogen-bonded Turntrans58.170.5178.5-60.5-9.7000114.3R78N20-R78 WeakPolarHBondContact ND2-CD 3.49Å; N20-R78 PolarHBondContact ND2-NE 2.7Å
21P91.4Very high92.5Very high81 Ų8170.9 Ų70.953%0.52637%0.372SS..THydrogen-bonded Turncis-82.1162.21.233.4-35.8000112.8F19 R23F19-P21 CarbonylContact C-O 3.58Å; F19-P21 VanDerWaalsContact C-O 3.26Å; P21-R23 HydrophobicContact CG-CG 4.37Å; P21-R23 PolarHBondContact O-N 3.42Å
22L94.2Very high92.7Very high103 Ų10365.8 Ų65.854%0.53935%0.35SS..THydrogen-bonded Turntrans-63.7120.6173.9-179.864.3000109.6A4 L8 I17 D18 F19A4-L22 HydrophobicContact CB-CD1 4.24Å; L8-L22 HydrophobicContact CD1-CD2 4.48Å; I17-L22 HydrophobicContact CG2-CD1 3.8Å; D18-L22 WeakPolarHBondContact O-CA 3.3Å; F19-L22 HydrophobicContact CD1-CD1 4.07Å; F19-L22 HydrophobicContact CE1-CD1 4.05Å
23R94.2Very high93.1Very high169 Ų16964.8 Ų64.864%0.63834%0.341SS*.EExtended strand (participates in β ladder)trans-138151.8174.8-63.8-178.9-179178.52.5109.2I17 D18 P21I17-R23 WeakPolarHBondContact CA-O 3.47Å; D18-R23 HydrophobicContact CB-CB 4.44Å; D18-R23 PolarHBondContact N-O 3.43Å; D18-R23 PolarHBondContact O-N 2.9Å; P21-R23 HydrophobicContact CG-CG 4.37Å; P21-R23 PolarHBondContact O-N 3.42Å
24S94.8Very high93.3Very high59 Ų5962.9 Ų62.941%0.41333%0.329SS..EExtended strand (participates in β ladder)trans-132.8151.5173.261.70000111.6R16R16-S24 CarbonylContact O-C 3.49Å; R16-S24 VanDerWaalsContact O-CA 3.24Å; R16-S24 WeakPolarHBondContact O-CA 3.36Å
25K95.1Very high93.4Very high115 Ų11562.8 Ų62.850%0.532%0.322SS..EExtended strand (participates in β ladder)trans-139.8128.4175.2177.6-173.4176.2-169.50108.6R16 I27 E152R16-K25 HydrophobicContact CB-CB 4.26Å; R16-K25 PolarHBondContact N-O 3.28Å; R16-K25 PolarHBondContact O-N 2.76Å; K25-I27 HydrophobicContact CD-CD1 4.02Å; K25-I27 HydrophobicContact CG-CD1 4.11Å; K25-E152 IonicContact NZ-OE1 3.67Å; K25-E152 PolarHBondContact NZ-OE1 3.41Å
26N94.9Very high93.4Very high78 Ų7860.8 Ų60.842%0.41731%0.312SS..EExtended strand (participates in β ladder)trans-71.9132.9174-68.8-6.7000109.7S10 T13 A14 L15S10-N26 PolarHBondContact OG-ND2 2.85Å; T13-N26 HydrophobicContact CG2-CB 4.18Å; A14-N26 CarbonylContact O-C 3.49Å; A14-N26 WeakPolarHBondContact O-CA 3.31Å; L15-N26 VanDerWaalsContact CD1-OD1 3.29Å; L15-N26 WeakPolarHBondContact CD1-OD1 3.34Å
27I94.9Very high93.3Very high19 Ų1961 Ų6110%0.09732%0.317CS..EExtended strand (participates in β ladder)trans-113.2119179.9-56.6-54.8000107.9A14 R16 K25 L29 E152 C155A14-I27 HydrophobicContact CB-CB 4.18Å; A14-I27 PolarHBondContact N-O 3.31Å; A14-I27 PolarHBondContact O-N 3.01Å; R16-I27 HydrophobicContact CB-CD1 3.88Å; R16-I27 HydrophobicContact CB-CG1 3.74Å; K25-I27 HydrophobicContact CD-CD1 4.02Å; K25-I27 HydrophobicContact CG-CD1 4.11Å; I27-L29 PolarHBondContact O-N 2.68Å; I27-E152 HydrophobicContact CD1-CG 3.9Å; I27-E152 WeakPolarHBondContact CD1-OE1 3.21Å; I27-C155 HydrophobicContact CG2-CB 3.95Å
28Q93.8Very high93.3Very high118 Ų11860.1 Ų60.155%0.55131%0.313SS*.PPolyproline II helixtrans-74.7120.6173.9-171.958.652.100109.2
29L94Very high93.2Very high24 Ų2460.1 Ų60.113%0.12631%0.311CS..PPolyproline II helixtrans-83.1146.9171.8-65.2169.6000109.9A14 I27 F35 M163 P235A14-L29 HydrophobicContact CB-CD1 3.94Å; A14-L29 HydrophobicContact CB-CD2 4.1Å; A14-L29 HydrophobicContact CB-CG 3.9Å; I27-L29 PolarHBondContact O-N 2.68Å; L29-F35 HydrophobicContact CD1-CD2 4.21Å; L29-F35 HydrophobicContact CD1-CE2 3.7Å; L29-F35 HydrophobicContact CD2-CE2 4.06Å; L29-F35 HydrophobicContact CD2-CZ 4.28Å; L29-F35 HydrophobicContact CG-CE2 4.39Å; L29-M163 HydrophobicContact CD2-CE 4.17Å; L29-P235 HydrophobicContact CB-CB 3.96Å; L29-P235 HydrophobicContact CB-CG 3.62Å; L29-P235 HydrophobicContact CD1-CG 4.23Å
30P93.9Very high93.2Very high3 Ų356.6 Ų56.62%0.01930%0.296CS..PPolyproline II helixtrans-60.8139.1173.9-23.637.5000111.1D32 A33 K158 I160 M163 P235P30-D32 WeakPolarHBondContact CB-OD1 3.48Å; P30-D32 PolarHBondContact O-N 3.18Å; P30-A33 HydrophobicContact CB-CB 4.21Å; P30-A33 WeakPolarHBondContact O-CB 3.48Å; P30-A33 PolarHBondContact O-N 2.76Å; P30-K158 HydrophobicContact CB-CB 4.23Å; P30-K158 HydrophobicContact CB-CG 4.46Å; P30-K158 HydrophobicContact CG-CB 4.22Å; P30-K158 HydrophobicContact CG-CG 4.46Å; P30-I160 HydrophobicContact CB-CG2 3.8Å; P30-I160 HydrophobicContact CG-CG2 3.98Å; P30-M163 HydrophobicContact CG-SD 3.85Å; P30-P235 WeakPolarHBondContact O-CG 3.42Å
31S90.9Very high93.3Very high109 Ų10958.5 Ų58.576%0.76231%0.307SS*.THydrogen-bonded Turntrans-65-22.2-173.7500000114.4
32D91Very high93.1Very high66 Ų6656.3 Ų56.335%0.35329%0.292SS..THydrogen-bonded Turntrans-88.8-7.6177.457.7-22.5000113.4P30 A216 A217P30-D32 WeakPolarHBondContact CB-OD1 3.48Å; P30-D32 PolarHBondContact O-N 3.18Å; D32-A216 WeakPolarHBondContact O-CA 3.12Å; D32-A217 PolarHBondContact O-N 3.15Å
33A93.7Very high92.6Very high0 Ų059.9 Ų59.90%031%0.306CS..EExtended strand (participates in β ladder)trans-84.9112.8175.300000110.7P30 F35 I160 M163 L214 P235P30-A33 HydrophobicContact CB-CB 4.21Å; P30-A33 WeakPolarHBondContact O-CB 3.48Å; P30-A33 PolarHBondContact O-N 2.76Å; A33-F35 HydrophobicContact CB-CE2 4.36Å; A33-I160 HydrophobicContact CB-CG2 3.82Å; A33-M163 HydrophobicContact CB-CE 4.19Å; A33-L214 HydrophobicContact CB-CD1 3.69Å; A33-P235 WeakPolarHBondContact O-CD 3.37Å; A33-P235 WeakPolarHBondContact O-CG 3.05Å
34V94.1Very high91.6Very high0 Ų054.2 Ų54.20%029%0.288CS..EExtended strand (participates in β ladder)trans-111131.8177.2-177.50000110.2L214 M215 A217 V220 V232 K234V34-L214 WeakPolarHBondContact O-CA 3.15Å; V34-M215 PolarHBondContact N-O 3.36Å; V34-M215 PolarHBondContact O-N 3.13Å; V34-A217 HydrophobicContact CG2-CB 3.85Å; V34-V220 HydrophobicContact CB-CG2 3.48Å; V34-V220 VanDerWaalsContact CB-CG2 3.48Å; V34-V220 HydrophobicContact CG1-CB 4.34Å; V34-V220 HydrophobicContact CG1-CG1 4.01Å; V34-V220 HydrophobicContact CG1-CG2 3.52Å; V34-V220 HydrophobicContact CG2-CG2 3.91Å; V34-V232 HydrophobicContact CG1-CG1 3.7Å; V34-K234 HydrophobicContact CB-CG 4.48Å; V34-K234 HydrophobicContact CG1-CG 3.92Å; V34-K234 HydrophobicContact CG2-CD 4.28Å; V34-K234 HydrophobicContact CG2-CG 3.83Å
35F95.2Very high90.3Very high32 Ų3256.6 Ų56.614%0.1430%0.296CS..EExtended strand (participates in β ladder)trans-103.4122.5179.1-68.6-86.5000110.7L29 A33 F151 M163 M167 V212 V213 L214 S233L29-F35 HydrophobicContact CD1-CD2 4.21Å; L29-F35 HydrophobicContact CD1-CE2 3.7Å; L29-F35 HydrophobicContact CD2-CE2 4.06Å; L29-F35 HydrophobicContact CD2-CZ 4.28Å; L29-F35 HydrophobicContact CG-CE2 4.39Å; A33-F35 HydrophobicContact CB-CE2 4.36Å; F35-F151 HydrophobicContact CZ-CZ 4.25Å; F35-M163 HydrophobicContact CZ-CE 3.94Å; F35-M167 HydrophobicContact CE1-CE 4.42Å; F35-M167 HydrophobicContact CE1-SD 4.06Å; F35-V212 HydrophobicContact CB-CG2 4.4Å; F35-V212 HydrophobicContact CD1-CG2 3.81Å; F35-V213 CarbonylContact C-O 3.46Å; F35-V213 VanDerWaalsContact CA-O 3.23Å; F35-V213 WeakPolarHBondContact CA-O 3.31Å; F35-L214 HydrophobicContact CD1-CB 4.47Å; F35-L214 HydrophobicContact CD1-CD1 4.44Å; F35-L214 HydrophobicContact CE1-CB 4.21Å; F35-L214 HydrophobicContact CE1-CD1 4.02Å; F35-L214 HydrophobicContact CE2-CD1 4.17Å; F35-L214 HydrophobicContact CZ-CD1 3.88Å; F35-S233 PolarHBondContact N-O 3.22Å; F35-S233 PolarHBondContact O-N 3.21Å
36V94.3Very high88.7Confident0 Ų057.2 Ų57.20%030%0.299CS..EExtended strand (participates in β ladder)trans-106.5132173.3-175.20000108.5Y192 V212 V213 M215 V220 V224 F231 V232V36-Y192 HydrophobicContact CB-CE1 4.49Å; V36-Y192 HydrophobicContact CG1-CE1 4.08Å; V36-V212 WeakPolarHBondContact O-CA 3.29Å; V36-V213 HydrophobicContact CB-CB 4.25Å; V36-V213 PolarHBondContact N-O 3.3Å; V36-V213 PolarHBondContact O-N 3.32Å; V36-M215 HydrophobicContact CG2-SD 4.25Å; V36-V220 HydrophobicContact CG2-CG1 4.39Å; V36-V224 HydrophobicContact CG1-CG1 4.32Å; V36-V224 HydrophobicContact CG2-CG1 4.17Å; V36-F231 WeakPolarHBondContact CA-O 3.38Å; V36-V232 HydrophobicContact CG1-CG2 4.32Å; V36-V232 HydrophobicContact CG2-CG1 4.4Å; V36-V232 HydrophobicContact CG2-CG2 4.26Å
37V94.4Very high87.1Confident40 Ų4057.1 Ų57.124%0.24232%0.317CS..EExtended strand (participates in β ladder)trans-106.6129.6173.9-178.60000108.5C210 A211 L230 F231V37-C210 HydrophobicContact CG1-CB 4.06Å; V37-A211 WeakPolarHBondContact CA-O 3.46Å; V37-L230 HydrophobicContact CG1-CD1 4.33Å; V37-L230 WeakPolarHBondContact O-CB 3.45Å; V37-L230 PolarHBondContact O-N 3.03Å; V37-F231 HydrophobicContact CB-CB 4.32Å; V37-F231 HydrophobicContact CB-CD2 4.45Å; V37-F231 PolarHBondContact N-O 3.33Å; V37-F231 PolarHBondContact O-N 3.24Å
38V93.6Very high85.4Confident3 Ų359.8 Ų59.82%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-131142.1-179.761.30000110.2I188 Y192 C210 A211 V213 P228V38-I188 HydrophobicContact CB-CG1 4.38Å; V38-I188 HydrophobicContact CG1-CG1 3.69Å; V38-I188 HydrophobicContact CG2-CD1 3.97Å; V38-I188 HydrophobicContact CG2-CG1 3.75Å; V38-Y192 HydrophobicContact CB-CE2 3.97Å; V38-Y192 HydrophobicContact CG1-CD2 4.27Å; V38-Y192 HydrophobicContact CG1-CE2 3.79Å; V38-Y192 HydrophobicContact CG2-CE2 4.02Å; V38-C210 CarbonylContact O-C 3.31Å; V38-C210 WeakPolarHBondContact O-CA 3.4Å; V38-C210 WeakPolarHBondContact O-CB 3.34Å; V38-A211 HydrophobicContact CG1-CB 3.92Å; V38-A211 PolarHBondContact N-O 3.11Å; V38-A211 PolarHBondContact O-N 3.33Å; V38-V213 HydrophobicContact CG1-CG2 4.34Å; V38-P228 WeakPolarHBondContact CG2-O 3.43Å
39H93Very high84.1Confident54 Ų5456.3 Ų56.325%0.2533%0.328CS..EExtended strand (participates in β ladder)trans-88.3140173.8-156.9-101.6000110.2N41 L230H39-N41 VanDerWaalsContact ND1-CA 3.32Å; H39-N41 WeakPolarHBondContact ND1-CA 3.47Å; H39-N41 PolarHBondContact ND1-N 2.91Å; H39-N41 PolarHBondContact O-N 2.92Å; H39-L230 HydrophobicContact CB-CD1 3.68Å; H39-L230 HydrophobicContact CB-CD2 4.34Å; H39-L230 HydrophobicContact CB-CG 4.07Å
40S90.1Very high83.3Confident11 Ų1157.7 Ų57.78%0.07734%0.34CS..  trans-76.5-3.2175.679.10000113.4T42 G209S40-T42 PolarHBondContact O-N 3.16Å; S40-T42 PolarHBondContact O-OG1 3.19Å; S40-T42 VanDerWaalsContact OG-CB 3.27Å; S40-T42 WeakPolarHBondContact OG-CB 3.48Å; S40-T42 PolarHBondContact OG-N 3.4Å; S40-T42 PolarHBondContact OG-OG1 3.19Å; S40-G209 PolarHBondContact N-O 2.82Å; S40-G209 PolarHBondContact OG-O 2.86Å
41N88.1Confident82.6Confident145 Ų14561.2 Ų61.278%0.77536%0.356SS*.SBendtrans59.320.1-167.8-60.7-31.3000114.3H39H39-N41 VanDerWaalsContact ND1-CA 3.32Å; H39-N41 WeakPolarHBondContact ND1-CA 3.47Å; H39-N41 PolarHBondContact ND1-N 2.91Å; H39-N41 PolarHBondContact O-N 2.92Å
42T86.9Confident82.2Confident34 Ų3462.3 Ų62.321%0.20934%0.344CS..  trans-114.8119.7174.7-430000108.9S40 E184 G209S40-T42 PolarHBondContact O-N 3.16Å; S40-T42 PolarHBondContact O-OG1 3.19Å; S40-T42 VanDerWaalsContact OG-CB 3.27Å; S40-T42 WeakPolarHBondContact OG-CB 3.48Å; S40-T42 PolarHBondContact OG-N 3.4Å; S40-T42 PolarHBondContact OG-OG1 3.19Å; T42-E184 WeakPolarHBondContact OG1-CB 3.43Å; T42-E184 VanDerWaalsContact OG1-CG 3.28Å; T42-E184 WeakPolarHBondContact OG1-CG 3.35Å; T42-G209 PolarHBondContact O-N 3.02Å
43E83.1Confident81.9Confident179 Ų17961.5 Ų61.584%0.83634%0.34SS*.  trans-88139174.2-66.1-174.4177.800110.9
44L73.4Confident81.7Confident49 Ų4963.8 Ų63.826%0.25735%0.35SS..  trans-113.7124.3167.7-175.678000109.9K46 G206 W207L44-K46 HydrophobicContact CD2-CG 3.9Å; L44-K46 PolarHBondContact O-N 3.27Å; L44-G206 WeakPolarHBondContact CD2-O 3.48Å; L44-W207 HydrophobicContact CD1-CB 3.68Å; L44-W207 HydrophobicContact CD2-CB 4.03Å; L44-W207 HydrophobicContact CD2-CE3 4.04Å; L44-W207 HydrophobicContact CG-CB 4.35Å
45N67.1Low81.6Confident109 Ų10964.5 Ų64.558%0.58335%0.353SS*.  trans-82.792.6163.2-169.8-22.3000110.2G47 A48N45-G47 PolarHBondContact O-N 3.22Å; N45-G47 VanDerWaalsContact O-N 3.15Å; N45-G47 PolarHBondContact OD1-N 2.98Å; N45-G47 VanDerWaalsContact OD1-N 3.13Å; N45-A48 HydrophobicContact CB-CB 3.93Å; N45-A48 PolarHBondContact O-N 3.38Å; N45-A48 VanDerWaalsContact O-N 3.1Å; N45-A48 PolarHBondContact OD1-N 3.36Å
46K63.2Low81.5Confident128 Ų12865.2 Ų65.256%0.55736%0.36SS*.THydrogen-bonded Turntrans-54.9-29.4179.1-68.1178.1-175.6176.90113.6L44 A205L44-K46 HydrophobicContact CD2-CG 3.9Å; L44-K46 PolarHBondContact O-N 3.27Å; K46-A205 HydrophobicContact CD-CB 4.33Å
47G59.8Low81.5Confident77 Ų7765.3 Ų65.379%0.79436%0.36SS*.THydrogen-bonded Turntrans-84.6-15.9-178.500000114.4N45N45-G47 PolarHBondContact O-N 3.22Å; N45-G47 VanDerWaalsContact O-N 3.15Å; N45-G47 PolarHBondContact OD1-N 2.98Å; N45-G47 VanDerWaalsContact OD1-N 3.13Å
48A59Low81.6Confident74 Ų7463.4 Ų63.461%0.61235%0.349SS*.THydrogen-bonded Turntrans-96.9-10.3-17500000113.9N45N45-A48 HydrophobicContact CB-CB 3.93Å; N45-A48 PolarHBondContact O-N 3.38Å; N45-A48 VanDerWaalsContact O-N 3.1Å; N45-A48 PolarHBondContact OD1-N 3.36Å
49T66.7Low81.8Confident46 Ų4663.9 Ų63.928%0.28236%0.355SS..  trans-119.8145.5-173.861.10000112.2
50S77.9Confident82Confident52 Ų5264.9 Ų64.936%0.36436%0.356SS..SBendtrans-87.1-7.2-17767.40000113.5Y52 N53 E54S50-Y52 PolarHBondContact O-N 2.87Å; S50-N53 PolarHBondContact O-N 3.12Å; S50-N53 VanDerWaalsContact O-N 3.14Å; S50-E54 PolarHBondContact O-N 3.38Å
51H79.6Confident82.4Confident78 Ų7864.3 Ų64.336%0.36135%0.352SS..Hα-helixtrans-56.5-43.7-174.6-60.6-52.2000113.5N53 E54 R55 W207H51-N53 VanDerWaalsContact C-N 3.34Å; H51-N53 PolarHBondContact O-N 3.42Å; H51-E54 WeakPolarHBondContact O-CB 3.44Å; H51-E54 PolarHBondContact O-N 3.49Å; H51-R55 WeakPolarHBondContact O-CG 3.49Å; H51-R55 PolarHBondContact O-N 3.42Å; H51-W207 HydrophobicContact CB-CD2 4.49Å; H51-W207 HydrophobicContact CB-CH2 4.14Å; H51-W207 HydrophobicContact CB-CZ2 3.76Å
52Y81.9Confident82.9Confident131 Ų13157.4 Ų57.451%0.51432%0.315SS..Hα-helixtrans-62.2-44.6179.4-174.9-89.5000111.5S50 E54 R55 V56S50-Y52 PolarHBondContact O-N 2.87Å; Y52-E54 VanDerWaalsContact C-N 3.35Å; Y52-R55 PolarHBondContact O-N 2.96Å; Y52-V56 HydrophobicContact CD1-CG2 4.19Å; Y52-V56 HydrophobicContact CE1-CG2 3.86Å; Y52-V56 WeakPolarHBondContact O-CG2 3.42Å; Y52-V56 PolarHBondContact O-N 2.91Å
53N85.1Confident83.4Confident50 Ų5055.8 Ų55.827%0.26731%0.305SS..Hα-helixtrans-69.1-36-178.9-64.5-38000111.3S50 H51 R55 V56 I57 N125 T126S50-N53 PolarHBondContact O-N 3.12Å; S50-N53 VanDerWaalsContact O-N 3.14Å; H51-N53 VanDerWaalsContact C-N 3.34Å; H51-N53 PolarHBondContact O-N 3.42Å; N53-R55 VanDerWaalsContact C-N 3.34Å; N53-R55 PolarHBondContact O-N 3.4Å; N53-V56 WeakPolarHBondContact O-CB 3.3Å; N53-V56 PolarHBondContact O-N 3.34Å; N53-V56 VanDerWaalsContact O-N 3.11Å; N53-I57 WeakPolarHBondContact O-CG1 3.3Å; N53-I57 PolarHBondContact O-N 2.94Å; N53-N125 PolarHBondContact ND2-ND2 3.41Å; N53-T126 HydrophobicContact CB-CG2 3.79Å
54E89Confident84.1Confident47 Ų4747.5 Ų47.522%0.2227%0.266CS..Hα-helixtrans-53.2-49.6172.2-169.1-177-152.200111.9S50 H51 Y52 V56 I57 E58 F129S50-E54 PolarHBondContact O-N 3.38Å; H51-E54 WeakPolarHBondContact O-CB 3.44Å; H51-E54 PolarHBondContact O-N 3.49Å; Y52-E54 VanDerWaalsContact C-N 3.35Å; E54-V56 VanDerWaalsContact C-N 3.28Å; E54-V56 PolarHBondContact O-N 3.01Å; E54-I57 PolarHBondContact O-N 2.85Å; E54-I57 VanDerWaalsContact O-N 3.16Å; E54-E58 WeakPolarHBondContact O-CG 3.42Å; E54-E58 PolarHBondContact O-N 3.34Å; E54-F129 HydrophobicContact CB-CD2 4.34Å; E54-F129 HydrophobicContact CB-CE2 3.59Å; E54-F129 HydrophobicContact CB-CZ 4.25Å; E54-F129 HydrophobicContact CG-CD2 4.13Å; E54-F129 HydrophobicContact CG-CE2 3.85Å
55R92.5Very high85.3Confident16 Ų1646.1 Ų46.16%0.0626%0.259CS..Hα-helixtrans-60.6-37.1177.5-59.3-66.1166.8-79.3-9.2112.9H51 Y52 N53 E58 G59 R137 Y178 W207H51-R55 WeakPolarHBondContact O-CG 3.49Å; H51-R55 PolarHBondContact O-N 3.42Å; Y52-R55 PolarHBondContact O-N 2.96Å; N53-R55 VanDerWaalsContact C-N 3.34Å; N53-R55 PolarHBondContact O-N 3.4Å; R55-E58 WeakPolarHBondContact CA-OE2 3.2Å; R55-E58 WeakPolarHBondContact CD-OE2 3.42Å; R55-E58 IonicContact CZ-OE2 2.89Å; R55-E58 IonicContact NE-OE2 2.79Å; R55-E58 IonicContact NH1-OE2 2.68Å; R55-E58 PolarHBondContact NH1-OE2 3.35Å; R55-G59 PolarHBondContact O-N 3.32Å; R55-G59 VanDerWaalsContact O-N 3.14Å; R55-R137 VanDerWaalsContact CZ-CZ 3.46Å; R55-Y178 HydrophobicContact CB-CE1 4.05Å; R55-Y178 HydrophobicContact CB-CE2 4.23Å; R55-Y178 WeakPolarHBondContact CB-OH 3.34Å; R55-Y178 WeakPolarHBondContact CD-O 3.34Å; R55-Y178 HydrophobicContact CG-CD1 4.44Å; R55-Y178 HydrophobicContact CG-CE1 3.96Å; R55-Y178 PolarHBondContact NE-O 3.24Å; R55-W207 HydrophobicContact CG-CH2 4.18Å; R55-W207 HydrophobicContact CG-CZ2 4.37Å
56V92.2Very high86.7Confident47 Ų4741 Ų4129%0.28523%0.232SC..Hα-helixtrans-64.3-45.5176.7173.40000110.8Y52 N53 E54 G59 R60Y52-V56 HydrophobicContact CD1-CG2 4.19Å; Y52-V56 HydrophobicContact CE1-CG2 3.86Å; Y52-V56 WeakPolarHBondContact O-CG2 3.42Å; Y52-V56 PolarHBondContact O-N 2.91Å; N53-V56 WeakPolarHBondContact O-CB 3.3Å; N53-V56 PolarHBondContact O-N 3.34Å; N53-V56 VanDerWaalsContact O-N 3.11Å; E54-V56 VanDerWaalsContact C-N 3.28Å; E54-V56 PolarHBondContact O-N 3.01Å; V56-G59 PolarHBondContact O-N 3Å; V56-R60 WeakPolarHBondContact O-CG 3.46Å; V56-R60 PolarHBondContact O-N 2.64Å
57I94.8Very high88.3Confident1 Ų135.8 Ų35.81%0.00521%0.209CC..Hα-helixtrans-64.7-45.4179.5-59.5-46.7000111.2N53 E54 G59 R60 I61 C121 L122 T123 T126 F132N53-I57 WeakPolarHBondContact O-CG1 3.3Å; N53-I57 PolarHBondContact O-N 2.94Å; E54-I57 PolarHBondContact O-N 2.85Å; E54-I57 VanDerWaalsContact O-N 3.16Å; I57-G59 VanDerWaalsContact C-N 3.26Å; I57-G59 PolarHBondContact O-N 3.03Å; I57-R60 WeakPolarHBondContact O-CB 3.24Å; I57-R60 PolarHBondContact O-N 3.08Å; I57-I61 HydrophobicContact CG2-CD1 3.86Å; I57-I61 HydrophobicContact CG2-CG1 4.34Å; I57-I61 WeakPolarHBondContact O-CG1 3.27Å; I57-I61 PolarHBondContact O-N 2.84Å; I57-C121 WeakPolarHBondContact CD1-O 3.44Å; I57-L122 HydrophobicContact CG2-CD2 3.76Å; I57-T123 HydrophobicContact CD1-CG2 4.47Å; I57-T126 HydrophobicContact CD1-CG2 4.27Å; I57-T126 HydrophobicContact CG1-CG2 3.69Å; I57-F132 HydrophobicContact CG2-CD1 4.12Å; I57-F132 HydrophobicContact CG2-CE1 3.79Å
58E96.9Very high90.1Very high1 Ų136.4 Ų36.41%0.00519%0.191CC..Hα-helixtrans-54.7-44.3176.8-71170.4140.900111.1E54 R55 I61 V62 F132 K133 R137E54-E58 WeakPolarHBondContact O-CG 3.42Å; E54-E58 PolarHBondContact O-N 3.34Å; R55-E58 WeakPolarHBondContact CA-OE2 3.2Å; R55-E58 WeakPolarHBondContact CD-OE2 3.42Å; R55-E58 IonicContact CZ-OE2 2.89Å; R55-E58 IonicContact NE-OE2 2.79Å; R55-E58 IonicContact NH1-OE2 2.68Å; R55-E58 PolarHBondContact NH1-OE2 3.35Å; E58-I61 PolarHBondContact O-N 2.94Å; E58-V62 WeakPolarHBondContact O-CG2 3.45Å; E58-V62 PolarHBondContact O-N 3.4Å; E58-V62 VanDerWaalsContact O-N 3.14Å; E58-F132 HydrophobicContact CG-CB 4.23Å; E58-F132 HydrophobicContact CG-CD1 4.45Å; E58-K133 WeakPolarHBondContact CB-O 3.1Å; E58-K133 WeakPolarHBondContact CG-O 3.34Å; E58-K133 WeakPolarHBondContact OE1-CA 3.4Å; E58-K133 WeakPolarHBondContact OE1-CB 3.08Å; E58-K133 PolarHBondContact OE1-N 3.31Å; E58-R137 HydrophobicContact CB-CB 4.28Å; E58-R137 HydrophobicContact CB-CG 3.87Å; E58-R137 HydrophobicContact CG-CG 4.37Å; E58-R137 IonicContact OE1-NE 2.64Å; E58-R137 IonicContact OE1-NH2 2.8Å; E58-R137 WeakPolarHBondContact OE2-CD 3.33Å; E58-R137 WeakPolarHBondContact OE2-CG 3.46Å; E58-R137 IonicContact OE2-CZ 3.19Å; E58-R137 IonicContact OE2-NE 3.88Å; E58-R137 PolarHBondContact OE2-NE 2.93Å; E58-R137 IonicContact OE2-NH2 2.64Å
59G97.2Very high91.9Very high13 Ų1337.9 Ų37.913%0.13418%0.184CC..Hα-helixtrans-64.7-37.4174.500000114.1R55 V56 I57 V62 A63R55-G59 PolarHBondContact O-N 3.32Å; R55-G59 VanDerWaalsContact O-N 3.14Å; V56-G59 PolarHBondContact O-N 3Å; I57-G59 VanDerWaalsContact C-N 3.26Å; I57-G59 PolarHBondContact O-N 3.03Å; G59-V62 PolarHBondContact O-N 3.02Å; G59-A63 WeakPolarHBondContact O-CB 3.19Å; G59-A63 PolarHBondContact O-N 3.22Å
60R97.4Very high93.3Very high74 Ų7437.5 Ų37.528%0.27918%0.178SC..Hα-helixtrans-67.4-37.6176.5-71.5177.4174.9-160.1-2.9112.5V56 I57 A63 Q64 F77 C121V56-R60 WeakPolarHBondContact O-CG 3.46Å; V56-R60 PolarHBondContact O-N 2.64Å; I57-R60 WeakPolarHBondContact O-CB 3.24Å; I57-R60 PolarHBondContact O-N 3.08Å; R60-A63 VanDerWaalsContact O-CB 3.31Å; R60-A63 WeakPolarHBondContact O-CB 3.35Å; R60-A63 PolarHBondContact O-N 2.91Å; R60-Q64 PolarHBondContact O-N 3.04Å; R60-F77 HydrophobicContact CB-CB 4.47Å; R60-F77 HydrophobicContact CB-CD1 3.71Å; R60-F77 HydrophobicContact CB-CE1 4.2Å; R60-F77 HydrophobicContact CB-CG 4.26Å; R60-F77 HydrophobicContact CG-CB 3.83Å; R60-F77 HydrophobicContact CG-CD1 3.83Å; R60-F77 HydrophobicContact CG-CG 3.86Å; R60-C121 HydrophobicContact CB-CB 3.85Å; R60-C121 WeakPolarHBondContact CD-O 3.42Å; R60-C121 PolarHBondContact NH1-O 3.25Å
61I98.1Very high94.2Very high0 Ų042 Ų420%020%0.199CC..Hα-helixtrans-63.9-48.4175.3-68.2164.8000109.7I57 E58 A63 Q64 I65 V109 I113 L118 C121 F132 L134I57-I61 HydrophobicContact CG2-CD1 3.86Å; I57-I61 HydrophobicContact CG2-CG1 4.34Å; I57-I61 WeakPolarHBondContact O-CG1 3.27Å; I57-I61 PolarHBondContact O-N 2.84Å; E58-I61 PolarHBondContact O-N 2.94Å; I61-A63 PolarHBondContact O-N 2.86Å; I61-Q64 PolarHBondContact O-N 3.36Å; I61-Q64 VanDerWaalsContact O-N 3.07Å; I61-I65 HydrophobicContact CG2-CD1 4.03Å; I61-I65 WeakPolarHBondContact O-CG1 3.47Å; I61-I65 PolarHBondContact O-N 3.13Å; I61-V109 HydrophobicContact CD1-CG1 4.14Å; I61-V109 HydrophobicContact CD1-CG2 4.35Å; I61-V109 HydrophobicContact CG1-CG1 4.2Å; I61-V109 HydrophobicContact CG2-CG1 3.78Å; I61-V109 HydrophobicContact CG2-CG2 4.36Å; I61-I113 HydrophobicContact CG2-CD1 4.35Å; I61-L118 HydrophobicContact CD1-CD1 4.12Å; I61-L118 HydrophobicContact CG1-CD1 4.23Å; I61-C121 HydrophobicContact CG1-CB 4.25Å; I61-F132 HydrophobicContact CD1-CB 4.08Å; I61-F132 HydrophobicContact CD1-CD1 3.46Å; I61-F132 VanDerWaalsContact CD1-CD1 3.46Å; I61-F132 HydrophobicContact CD1-CD2 4.14Å; I61-F132 HydrophobicContact CD1-CE1 3.88Å; I61-F132 HydrophobicContact CD1-CE2 4.49Å; I61-F132 HydrophobicContact CD1-CG 3.61Å; I61-F132 HydrophobicContact CD1-CZ 4.37Å; I61-L134 HydrophobicContact CB-CD2 4.08Å; I61-L134 HydrophobicContact CG2-CD1 4.17Å; I61-L134 HydrophobicContact CG2-CD2 3.69Å
62V98.3Very high95Very high0 Ų039.3 Ų39.30%019%0.187CC..Hα-helixtrans-56.6-41175.2173.40000110.9E58 G59 Q64 I65 F66 L79 L100 L134 A138E58-V62 WeakPolarHBondContact O-CG2 3.45Å; E58-V62 PolarHBondContact O-N 3.4Å; E58-V62 VanDerWaalsContact O-N 3.14Å; G59-V62 PolarHBondContact O-N 3.02Å; V62-Q64 PolarHBondContact O-N 3.03Å; V62-I65 PolarHBondContact O-N 2.8Å; V62-F66 HydrophobicContact CG1-CD2 4.39Å; V62-F66 HydrophobicContact CG1-CE2 4.35Å; V62-F66 PolarHBondContact O-N 2.73Å; V62-L79 HydrophobicContact CB-CD2 4.1Å; V62-L79 HydrophobicContact CG1-CD1 4.23Å; V62-L79 HydrophobicContact CG1-CD2 3.68Å; V62-L100 HydrophobicContact CG1-CD1 4.18Å; V62-L100 HydrophobicContact CG2-CD1 4.41Å; V62-L134 HydrophobicContact CG2-CB 4.03Å; V62-L134 HydrophobicContact CG2-CD2 4.19Å; V62-A138 HydrophobicContact CB-CB 4.48Å; V62-A138 HydrophobicContact CG1-CB 3.68Å; V62-A138 HydrophobicContact CG2-CB 4.07Å
63A98Very high95.5Very high0 Ų039.9 Ų39.90%020%0.204CC..Hα-helixtrans-58.2-45.8175.500000112.5G59 R60 I61 F66 K67 F77 L79 I82G59-A63 WeakPolarHBondContact O-CB 3.19Å; G59-A63 PolarHBondContact O-N 3.22Å; R60-A63 VanDerWaalsContact O-CB 3.31Å; R60-A63 WeakPolarHBondContact O-CB 3.35Å; R60-A63 PolarHBondContact O-N 2.91Å; I61-A63 PolarHBondContact O-N 2.86Å; A63-F66 PolarHBondContact O-N 3.28Å; A63-K67 WeakPolarHBondContact O-CB 3.34Å; A63-K67 VanDerWaalsContact O-CG 3.24Å; A63-K67 WeakPolarHBondContact O-CG 3.35Å; A63-K67 PolarHBondContact O-N 3.36Å; A63-F77 HydrophobicContact CB-CB 4.31Å; A63-F77 HydrophobicContact CB-CD1 4.17Å; A63-F77 WeakPolarHBondContact CB-O 3.44Å; A63-L79 HydrophobicContact CB-CD2 3.89Å; A63-I82 VanDerWaalsContact CA-CD1 3.41Å; A63-I82 HydrophobicContact CB-CD1 3.18Å
64Q98Very high95.7Very high4 Ų438.9 Ų38.92%0.01920%0.201CC..Hα-helixtrans-65.2-42.3176.9-67.4-71.317.200112.3R60 I61 V62 F66 K67 Q68 F77 I113 K117 E120R60-Q64 PolarHBondContact O-N 3.04Å; I61-Q64 PolarHBondContact O-N 3.36Å; I61-Q64 VanDerWaalsContact O-N 3.07Å; V62-Q64 PolarHBondContact O-N 3.03Å; Q64-F66 VanDerWaalsContact C-N 3.32Å; Q64-F66 PolarHBondContact O-N 3.15Å; Q64-K67 PolarHBondContact O-N 3.3Å; Q64-Q68 WeakPolarHBondContact O-CG 3.15Å; Q64-Q68 PolarHBondContact O-N 2.67Å; Q64-F77 HydrophobicContact CG-CD1 4.48Å; Q64-F77 HydrophobicContact CG-CE1 3.86Å; Q64-I113 HydrophobicContact CB-CB 4.28Å; Q64-I113 HydrophobicContact CB-CD1 3.95Å; Q64-I113 HydrophobicContact CB-CG2 3.97Å; Q64-I113 HydrophobicContact CG-CD1 4.32Å; Q64-K117 HydrophobicContact CG-CB 4.43Å; Q64-E120 PolarHBondContact NE2-OE2 3.3Å
65I97.9Very high95.7Very high21 Ų2139.9 Ų39.911%0.10822%0.223CC..Hα-helixtrans-56.8-48.6176.2-65.3169.2000110.1I61 V62 Q68 K69 L100 L112 I113 L134I61-I65 HydrophobicContact CG2-CD1 4.03Å; I61-I65 WeakPolarHBondContact O-CG1 3.47Å; I61-I65 PolarHBondContact O-N 3.13Å; V62-I65 PolarHBondContact O-N 2.8Å; I65-Q68 PolarHBondContact O-N 2.94Å; I65-K69 WeakPolarHBondContact O-CB 3.46Å; I65-K69 PolarHBondContact O-N 3.28Å; I65-L100 HydrophobicContact CD1-CD2 4.38Å; I65-L100 HydrophobicContact CG2-CD2 4Å; I65-L112 HydrophobicContact CD1-CD1 4.22Å; I65-I113 HydrophobicContact CB-CG2 4.3Å; I65-I113 HydrophobicContact CG1-CG2 3.4Å; I65-L134 HydrophobicContact CD1-CD1 3.63Å
66F97.9Very high95.6Very high1 Ų140 Ų400%0.00423%0.226CC..Hα-helixtrans-70.8-32.9-179.2-78.57.5000112.7V62 A63 Q64 Q68 K69 F70 I82 I93 I96 V97 L100 F142V62-F66 HydrophobicContact CG1-CD2 4.39Å; V62-F66 HydrophobicContact CG1-CE2 4.35Å; V62-F66 PolarHBondContact O-N 2.73Å; A63-F66 PolarHBondContact O-N 3.28Å; Q64-F66 VanDerWaalsContact C-N 3.32Å; Q64-F66 PolarHBondContact O-N 3.15Å; F66-Q68 VanDerWaalsContact C-N 3.34Å; F66-Q68 PolarHBondContact O-N 3.43Å; F66-K69 PolarHBondContact O-N 3.37Å; F66-F70 HydrophobicContact CB-CD2 3.95Å; F66-F70 HydrophobicContact CB-CE2 3.74Å; F66-F70 HydrophobicContact CD1-CE2 4.3Å; F66-F70 AromaticContact CD2-CE2 3.92Å; F66-F70 HydrophobicContact CD2-CE2 3.92Å; F66-F70 HydrophobicContact CG-CD2 4.46Å; F66-F70 AromaticContact CG-CE2 3.75Å; F66-F70 HydrophobicContact CG-CE2 3.75Å; F66-F70 WeakPolarHBondContact O-CB 3.4Å; F66-F70 WeakPolarHBondContact O-CD2 3.21Å; F66-F70 WeakPolarHBondContact O-CG 3.35Å; F66-F70 PolarHBondContact O-N 3.42Å; F66-I82 HydrophobicContact CB-CG2 3.7Å; F66-I93 HydrophobicContact CD2-CD1 4.15Å; F66-I93 HydrophobicContact CD2-CG1 4.4Å; F66-I93 HydrophobicContact CE2-CD1 3.95Å; F66-I93 HydrophobicContact CE2-CG1 3.88Å; F66-I96 HydrophobicContact CE1-CG2 4.06Å; F66-I96 HydrophobicContact CZ-CG2 4.07Å; F66-V97 HydrophobicContact CE2-CG2 4.02Å; F66-V97 HydrophobicContact CZ-CG2 3.79Å; F66-L100 HydrophobicContact CE1-CD1 3.98Å; F66-L100 HydrophobicContact CE1-CD2 4.03Å; F66-L100 HydrophobicContact CE1-CG 4.18Å; F66-L100 HydrophobicContact CZ-CD1 3.98Å; F66-L100 HydrophobicContact CZ-CG 4.5Å; F66-F142 HydrophobicContact CD2-CE2 4.1Å; F66-F142 HydrophobicContact CD2-CZ 4.05Å; F66-F142 AromaticContact CE2-CE2 3.56Å; F66-F142 HydrophobicContact CE2-CE2 3.56Å; F66-F142 AromaticContact CE2-CZ 3.92Å; F66-F142 HydrophobicContact CE2-CZ 3.92Å
67K97.2Very high95.6Very high18 Ų1840.1 Ų40.18%0.07822%0.223CC..Hα-helixtrans-60.4-44.2172.1-78.4170.158.2-179.50111.9A63 Q64 N71 I72 S74 I82A63-K67 WeakPolarHBondContact O-CB 3.34Å; A63-K67 VanDerWaalsContact O-CG 3.24Å; A63-K67 WeakPolarHBondContact O-CG 3.35Å; A63-K67 PolarHBondContact O-N 3.36Å; Q64-K67 PolarHBondContact O-N 3.3Å; K67-N71 CarbonylContact O-C 3.54Å; K67-N71 WeakPolarHBondContact O-CA 3.28Å; K67-N71 PolarHBondContact O-N 2.89Å; K67-I72 HydrophobicContact CB-CB 4.34Å; K67-I72 HydrophobicContact CG-CB 4.09Å; K67-I72 HydrophobicContact CG-CG2 4.14Å; K67-I72 PolarHBondContact O-N 2.84Å; K67-S74 WeakPolarHBondContact CE-O 3.37Å; K67-S74 PolarHBondContact NZ-O 2.98Å; K67-I82 HydrophobicContact CD-CD1 4.27Å; K67-I82 HydrophobicContact CG-CD1 4.07Å; K67-I82 HydrophobicContact CG-CG1 4.26Å
68Q95.9Very high95.5Very high90 Ų9046 Ų4642%0.42125%0.246SC..Hα-helixtrans-65.9-48.4175-67.4178.40.500111.3Q64 I65 F66 F70 N71 L112 I113Q64-Q68 WeakPolarHBondContact O-CG 3.15Å; Q64-Q68 PolarHBondContact O-N 2.67Å; I65-Q68 PolarHBondContact O-N 2.94Å; F66-Q68 VanDerWaalsContact C-N 3.34Å; F66-Q68 PolarHBondContact O-N 3.43Å; Q68-F70 PolarHBondContact O-N 2.88Å; Q68-N71 PolarHBondContact O-N 3.49Å; Q68-L112 PolarHBondContact OE1-O 3.06Å; Q68-L112 VanDerWaalsContact OE1-O 3.11Å; Q68-I113 PolarHBondContact NE2-O 3.28Å
69K96.6Very high95.4Very high106 Ų10646.5 Ų46.546%0.46125%0.248SC..Hα-helixtrans-59.3-33.7-179.7-170.4175.9176.9109.60113.1I65 F66 I96 E99I65-K69 WeakPolarHBondContact O-CB 3.46Å; I65-K69 PolarHBondContact O-N 3.28Å; F66-K69 PolarHBondContact O-N 3.37Å; K69-I96 HydrophobicContact CD-CG2 4.06Å; K69-E99 IonicContact NZ-OE2 3.62Å; K69-E99 PolarHBondContact NZ-OE2 2.69Å
70F96.9Very high95.2Very high37 Ų3749.6 Ų49.616%0.16226%0.258CS..THydrogen-bonded Turntrans-107.28.4-177.2-52.8-46.5000114.2F66 Q68 I72 I93 I96F66-F70 HydrophobicContact CB-CD2 3.95Å; F66-F70 HydrophobicContact CB-CE2 3.74Å; F66-F70 HydrophobicContact CD1-CE2 4.3Å; F66-F70 AromaticContact CD2-CE2 3.92Å; F66-F70 HydrophobicContact CD2-CE2 3.92Å; F66-F70 HydrophobicContact CG-CD2 4.46Å; F66-F70 AromaticContact CG-CE2 3.75Å; F66-F70 HydrophobicContact CG-CE2 3.75Å; F66-F70 WeakPolarHBondContact O-CB 3.4Å; F66-F70 WeakPolarHBondContact O-CD2 3.21Å; F66-F70 WeakPolarHBondContact O-CG 3.35Å; F66-F70 PolarHBondContact O-N 3.42Å; Q68-F70 PolarHBondContact O-N 2.88Å; F70-I72 VanDerWaalsContact C-N 3.32Å; F70-I72 HydrophobicContact CB-CD1 3.74Å; F70-I72 HydrophobicContact CB-CG1 3.97Å; F70-I72 HydrophobicContact CD2-CD1 4.23Å; F70-I72 HydrophobicContact CG-CD1 4.49Å; F70-I72 PolarHBondContact O-N 3.48Å; F70-I93 HydrophobicContact CE2-CD1 3.6Å; F70-I93 HydrophobicContact CZ-CD1 3.69Å; F70-I96 HydrophobicContact CE1-CD1 3.94Å; F70-I96 HydrophobicContact CZ-CD1 3.77Å; F70-I96 HydrophobicContact CZ-CG2 4.15Å
71N96.3Very high95Very high147 Ų14748.8 Ų48.879%0.78626%0.257SS*.THydrogen-bonded Turntrans53.742.9-177.8-58-59.5000113.8K67 Q68K67-N71 CarbonylContact O-C 3.54Å; K67-N71 WeakPolarHBondContact O-CA 3.28Å; K67-N71 PolarHBondContact O-N 2.89Å; Q68-N71 PolarHBondContact O-N 3.49Å
72I96.1Very high94.9Very high22 Ų2248.8 Ų48.811%0.11326%0.257CS..  trans-94.3125.1-179.8-63.1163.6000110.3K67 F70 I82 L85K67-I72 HydrophobicContact CB-CB 4.34Å; K67-I72 HydrophobicContact CG-CB 4.09Å; K67-I72 HydrophobicContact CG-CG2 4.14Å; K67-I72 PolarHBondContact O-N 2.84Å; F70-I72 VanDerWaalsContact C-N 3.32Å; F70-I72 HydrophobicContact CB-CD1 3.74Å; F70-I72 HydrophobicContact CB-CG1 3.97Å; F70-I72 HydrophobicContact CD2-CD1 4.23Å; F70-I72 HydrophobicContact CG-CD1 4.49Å; F70-I72 PolarHBondContact O-N 3.48Å; I72-I82 HydrophobicContact CD1-CG2 3.93Å; I72-I82 WeakPolarHBondContact CD1-O 3.28Å; I72-L85 HydrophobicContact CD1-CB 3.88Å; I72-L85 HydrophobicContact CG1-CB 4.17Å; I72-L85 HydrophobicContact CG2-CB 4.2Å; I72-L85 HydrophobicContact CG2-CD1 3.71Å
73T92.9Very high94.8Very high143 Ų14349.9 Ų49.988%0.87726%0.262SS*.  trans-96.6-0.1-178.455.10000114.6
74S90.2Very high94.6Very high29 Ų2954.1 Ų54.120%0.20329%0.288CS..  trans-57.2142179.4175.80000112.4K67 S76 E81K67-S74 WeakPolarHBondContact CE-O 3.37Å; K67-S74 PolarHBondContact NZ-O 2.98Å; S74-S76 PolarHBondContact O-N 3.23Å; S74-S76 WeakPolarHBondContact OG-CB 3.42Å; S74-S76 PolarHBondContact OG-N 2.64Å; S74-S76 VanDerWaalsContact OG-N 3.1Å; S74-E81 PolarHBondContact OG-OE1 2.88Å; S74-E81 VanDerWaalsContact OG-OE1 3.12Å
75G88Confident94.5Very high67 Ų6758.2 Ų58.269%0.69131%0.31SS*.SBendtrans-72.9-3.6171.700000114.2
76S90.8Very high94.4Very high18 Ų1858 Ų5813%0.12631%0.311CS..  trans-76.2145.5-177.6-170.90000113.1S74 R78 E81S74-S76 PolarHBondContact O-N 3.23Å; S74-S76 WeakPolarHBondContact OG-CB 3.42Å; S74-S76 PolarHBondContact OG-N 2.64Å; S74-S76 VanDerWaalsContact OG-N 3.1Å; S76-R78 PolarHBondContact OG-N 2.75Å; S76-R78 VanDerWaalsContact OG-N 3.14Å; S76-E81 WeakPolarHBondContact CB-OE1 3.15Å; S76-E81 WeakPolarHBondContact CB-OE2 3.18Å; S76-E81 VanDerWaalsContact OG-CD 3.22Å; S76-E81 PolarHBondContact OG-OE2 2.89Å
77F92.6Very high94.3Very high50 Ų5061.2 Ų61.222%0.21934%0.344CS..  trans-1053.8169.3-68.4-81.2000113R60 A63 Q64 L79 E120R60-F77 HydrophobicContact CB-CB 4.47Å; R60-F77 HydrophobicContact CB-CD1 3.71Å; R60-F77 HydrophobicContact CB-CE1 4.2Å; R60-F77 HydrophobicContact CB-CG 4.26Å; R60-F77 HydrophobicContact CG-CB 3.83Å; R60-F77 HydrophobicContact CG-CD1 3.83Å; R60-F77 HydrophobicContact CG-CG 3.86Å; A63-F77 HydrophobicContact CB-CB 4.31Å; A63-F77 HydrophobicContact CB-CD1 4.17Å; A63-F77 WeakPolarHBondContact CB-O 3.44Å; Q64-F77 HydrophobicContact CG-CD1 4.48Å; Q64-F77 HydrophobicContact CG-CE1 3.86Å; F77-L79 PolarHBondContact O-N 3.16Å; F77-E120 HydrophobicContact CZ-CB 4.08Å; F77-E120 WeakPolarHBondContact CZ-O 3.31Å
78R92.4Very high94.3Very high126 Ų12663.5 Ų63.548%0.47535%0.354SS..  trans-78.1116.6-175.3-65.1-179.9179.8-1264.2109.4N20 S76 K80 E81 I82N20-R78 WeakPolarHBondContact ND2-CD 3.49Å; N20-R78 PolarHBondContact ND2-NE 2.7Å; S76-R78 PolarHBondContact OG-N 2.75Å; S76-R78 VanDerWaalsContact OG-N 3.14Å; R78-K80 VanDerWaalsContact C-N 3.3Å; R78-K80 PolarHBondContact O-N 3.19Å; R78-E81 HydrophobicContact CB-CB 4.07Å; R78-E81 WeakPolarHBondContact O-CB 3.49Å; R78-E81 PolarHBondContact O-N 3.41Å; R78-I82 PolarHBondContact O-N 3.41Å
79L95.5Very high94.4Very high10 Ų1061.8 Ų61.85%0.05235%0.351CS..Hα-helixtrans-56.8-39.7-177.7-68.7-176.9000113.3V62 A63 F77 E81 I82 Q83 V141 F142V62-L79 HydrophobicContact CB-CD2 4.1Å; V62-L79 HydrophobicContact CG1-CD1 4.23Å; V62-L79 HydrophobicContact CG1-CD2 3.68Å; A63-L79 HydrophobicContact CB-CD2 3.89Å; F77-L79 PolarHBondContact O-N 3.16Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.41Å; L79-I82 PolarHBondContact O-N 3.24Å; L79-Q83 PolarHBondContact O-N 3.02Å; L79-V141 HydrophobicContact CB-CG1 3.95Å; L79-V141 HydrophobicContact CD1-CB 3.89Å; L79-V141 HydrophobicContact CD1-CG1 3.83Å; L79-V141 HydrophobicContact CD1-CG2 4.27Å; L79-V141 HydrophobicContact CG-CG1 4.41Å; L79-F142 HydrophobicContact CB-CE1 3.89Å; L79-F142 HydrophobicContact CB-CE2 4.2Å; L79-F142 HydrophobicContact CB-CZ 3.64Å; L79-F142 HydrophobicContact CD1-CE2 4.19Å; L79-F142 HydrophobicContact CD1-CZ 4.46Å; L79-F142 HydrophobicContact CD2-CE2 4.37Å; L79-F142 HydrophobicContact CD2-CZ 4.16Å; L79-F142 HydrophobicContact CG-CE2 4.49Å; L79-F142 HydrophobicContact CG-CZ 4.3Å; L79-F142 VanDerWaalsContact O-CE1 3.28Å; L79-F142 WeakPolarHBondContact O-CE1 3.41Å
80K92.4Very high94.4Very high78 Ų7857.4 Ų57.434%0.33933%0.332SS..Hα-helixtrans-59.7-41.3174-177.6177.4178.9-177.30112.6D18 R78 Q83 T84D18-K80 IonicContact OD1-NZ 2.68Å; D18-K80 PolarHBondContact OD1-NZ 3.02Å; R78-K80 VanDerWaalsContact C-N 3.3Å; R78-K80 PolarHBondContact O-N 3.19Å; K80-Q83 PolarHBondContact O-N 3.47Å; K80-Q83 PolarHBondContact O-OE1 3.28Å; K80-T84 PolarHBondContact O-N 3.28Å; K80-T84 PolarHBondContact O-OG1 3.14Å
81E93.1Very high94.4Very high58 Ų5861.9 Ų61.927%0.27135%0.352SS..Hα-helixtrans-67.4-41.5178.1-170-175.4144.200110.7S74 S76 R78 L79 Q83 T84 L85S74-E81 PolarHBondContact OG-OE1 2.88Å; S74-E81 VanDerWaalsContact OG-OE1 3.12Å; S76-E81 WeakPolarHBondContact CB-OE1 3.15Å; S76-E81 WeakPolarHBondContact CB-OE2 3.18Å; S76-E81 VanDerWaalsContact OG-CD 3.22Å; S76-E81 PolarHBondContact OG-OE2 2.89Å; R78-E81 HydrophobicContact CB-CB 4.07Å; R78-E81 WeakPolarHBondContact O-CB 3.49Å; R78-E81 PolarHBondContact O-N 3.41Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.41Å; E81-Q83 VanDerWaalsContact C-N 3.35Å; E81-Q83 PolarHBondContact O-N 3.07Å; E81-T84 WeakPolarHBondContact O-CB 3.24Å; E81-T84 PolarHBondContact O-N 2.96Å; E81-T84 VanDerWaalsContact O-N 3.16Å; E81-L85 HydrophobicContact CG-CD1 4.14Å; E81-L85 WeakPolarHBondContact O-CB 3.42Å; E81-L85 WeakPolarHBondContact O-CG 3.02Å; E81-L85 PolarHBondContact O-N 2.85Å
82I95.1Very high94.5Very high0 Ų059.3 Ų59.30%034%0.335CS..Hα-helixtrans-62.8-42.3176-68.1167.9000111.1A63 F66 K67 I72 R78 L79 T84 L85 S86A63-I82 VanDerWaalsContact CA-CD1 3.41Å; A63-I82 HydrophobicContact CB-CD1 3.18Å; F66-I82 HydrophobicContact CB-CG2 3.7Å; K67-I82 HydrophobicContact CD-CD1 4.27Å; K67-I82 HydrophobicContact CG-CD1 4.07Å; K67-I82 HydrophobicContact CG-CG1 4.26Å; I72-I82 HydrophobicContact CD1-CG2 3.93Å; I72-I82 WeakPolarHBondContact CD1-O 3.28Å; R78-I82 PolarHBondContact O-N 3.41Å; L79-I82 PolarHBondContact O-N 3.24Å; I82-T84 VanDerWaalsContact C-N 3.34Å; I82-T84 PolarHBondContact O-N 2.93Å; I82-L85 PolarHBondContact O-N 3.42Å; I82-S86 VanDerWaalsContact O-CB 3.31Å; I82-S86 WeakPolarHBondContact O-CB 3.43Å; I82-S86 PolarHBondContact O-N 2.7Å
83Q96.1Very high94.6Very high22 Ų2258.3 Ų58.310%0.10333%0.33CS..Hα-helixtrans-60.7-44.2173167.3-88.4-33.300111.3L79 K80 E81 S86 G87 K88 I93 F142L79-Q83 PolarHBondContact O-N 3.02Å; K80-Q83 PolarHBondContact O-N 3.47Å; K80-Q83 PolarHBondContact O-OE1 3.28Å; E81-Q83 VanDerWaalsContact C-N 3.35Å; E81-Q83 PolarHBondContact O-N 3.07Å; Q83-S86 PolarHBondContact O-N 3.06Å; Q83-S86 PolarHBondContact O-OG 2.72Å; Q83-G87 PolarHBondContact O-N 3.25Å; Q83-K88 WeakPolarHBondContact CG-O 3.35Å; Q83-K88 PolarHBondContact NE2-O 3.27Å; Q83-I93 HydrophobicContact CB-CG1 4.38Å; Q83-I93 HydrophobicContact CG-CB 4.28Å; Q83-I93 HydrophobicContact CG-CG1 4.47Å; Q83-I93 HydrophobicContact CG-CG2 4.16Å; Q83-F142 HydrophobicContact CB-CD1 4.28Å; Q83-F142 HydrophobicContact CB-CE1 3.58Å; Q83-F142 HydrophobicContact CB-CZ 4.42Å; Q83-F142 HydrophobicContact CG-CE1 4.39Å
84T94.1Very high94.8Very high89 Ų8953.3 Ų53.355%0.54630%0.298SS..Hα-helixtrans-60-49.1176.7-57.20000111.5K80 E81 I82 S86 G87K80-T84 PolarHBondContact O-N 3.28Å; K80-T84 PolarHBondContact O-OG1 3.14Å; E81-T84 WeakPolarHBondContact O-CB 3.24Å; E81-T84 PolarHBondContact O-N 2.96Å; E81-T84 VanDerWaalsContact O-N 3.16Å; I82-T84 VanDerWaalsContact C-N 3.34Å; I82-T84 PolarHBondContact O-N 2.93Å; T84-S86 VanDerWaalsContact C-N 3.28Å; T84-S86 PolarHBondContact O-N 3.47Å; T84-G87 PolarHBondContact O-N 3.41Å; T84-G87 VanDerWaalsContact O-N 3.15Å
85L95.7Very high95.2Very high91 Ų9159.3 Ų59.348%0.47632%0.32SS..Hα-helixtrans-66-28.6179.3-70171.9000113I72 E81 I82 G87I72-L85 HydrophobicContact CD1-CB 3.88Å; I72-L85 HydrophobicContact CG1-CB 4.17Å; I72-L85 HydrophobicContact CG2-CB 4.2Å; I72-L85 HydrophobicContact CG2-CD1 3.71Å; E81-L85 HydrophobicContact CG-CD1 4.14Å; E81-L85 WeakPolarHBondContact O-CB 3.42Å; E81-L85 WeakPolarHBondContact O-CG 3.02Å; E81-L85 PolarHBondContact O-N 2.85Å; I82-L85 PolarHBondContact O-N 3.42Å; L85-G87 PolarHBondContact O-N 2.91Å
86S96.4Very high95.6Very high17 Ų1757.2 Ų57.212%0.11929%0.293CS..THydrogen-bonded Turntrans-73.1-12.3176.2780000114I82 Q83 T84 K88I82-S86 VanDerWaalsContact O-CB 3.31Å; I82-S86 WeakPolarHBondContact O-CB 3.43Å; I82-S86 PolarHBondContact O-N 2.7Å; Q83-S86 PolarHBondContact O-N 3.06Å; Q83-S86 PolarHBondContact O-OG 2.72Å; T84-S86 VanDerWaalsContact C-N 3.28Å; T84-S86 PolarHBondContact O-N 3.47Å; S86-K88 PolarHBondContact O-N 2.85Å; S86-K88 PolarHBondContact O-NZ 2.92Å; S86-K88 WeakPolarHBondContact OG-CB 3.37Å; S86-K88 WeakPolarHBondContact OG-CG 3.31Å; S86-K88 PolarHBondContact OG-N 3.16Å
87G96.8Very high96Very high68 Ų6856.4 Ų56.470%0.70129%0.287SS*.THydrogen-bonded Turntrans67.47.5-174.200000115Q83 T84 L85Q83-G87 PolarHBondContact O-N 3.25Å; T84-G87 PolarHBondContact O-N 3.41Å; T84-G87 VanDerWaalsContact O-N 3.15Å; L85-G87 PolarHBondContact O-N 2.91Å
88K97.4Very high96.2Very high65 Ų6558 Ų5828%0.28330%0.295SS..  trans-85.8143.1179.7-59.3-60.2179.7-54.30111.1Q83 S86 E92 I93 I96Q83-K88 WeakPolarHBondContact CG-O 3.35Å; Q83-K88 PolarHBondContact NE2-O 3.27Å; S86-K88 PolarHBondContact O-N 2.85Å; S86-K88 PolarHBondContact O-NZ 2.92Å; S86-K88 WeakPolarHBondContact OG-CB 3.37Å; S86-K88 WeakPolarHBondContact OG-CG 3.31Å; S86-K88 PolarHBondContact OG-N 3.16Å; K88-E92 HydrophobicContact CB-CB 4.08Å; K88-E92 HydrophobicContact CD-CB 4.25Å; K88-I93 HydrophobicContact CB-CB 4.5Å; K88-I93 HydrophobicContact CB-CD1 4.32Å; K88-I93 HydrophobicContact CG-CD1 4.43Å; K88-I96 HydrophobicContact CG-CD1 4.4Å
89S97.4Very high96.5Very high54 Ų5458.2 Ų58.238%0.37830%0.302SS..  trans-68.3164.8165.665.90000112K91 E92 I93S89-K91 PolarHBondContact O-N 2.92Å; S89-E92 VanDerWaalsContact CB-OE2 3.31Å; S89-E92 WeakPolarHBondContact CB-OE2 3.47Å; S89-E92 PolarHBondContact N-OE2 2.69Å; S89-E92 PolarHBondContact O-N 3.47Å; S89-E92 WeakPolarHBondContact OG-CG 3.46Å; S89-E92 PolarHBondContact OG-N 3.37Å; S89-E92 PolarHBondContact OG-OE2 2.89Å; S89-I93 PolarHBondContact O-N 2.79Å
90F96.1Very high96.6Very high14 Ų1458.4 Ų58.46%0.06130%0.303CS..Hα-helixtrans-57-37.3172.6-77.1-68.3000112.9I93 L94 F142 A145 Y146 E149F90-I93 WeakPolarHBondContact O-CG2 3.42Å; F90-L94 VanDerWaalsContact O-CB 3.28Å; F90-L94 WeakPolarHBondContact O-CB 3.45Å; F90-L94 WeakPolarHBondContact O-CD1 3.45Å; F90-L94 WeakPolarHBondContact O-CG 3.46Å; F90-L94 PolarHBondContact O-N 3.37Å; F90-F142 HydrophobicContact CD1-CD1 4.46Å; F90-F142 WeakPolarHBondContact CD1-O 3.25Å; F90-F142 HydrophobicContact CE1-CD1 4.4Å; F90-A145 HydrophobicContact CE1-CB 3.71Å; F90-A145 HydrophobicContact CZ-CB 3.89Å; F90-Y146 HydrophobicContact CB-CD1 4.21Å; F90-Y146 HydrophobicContact CB-CD2 3.93Å; F90-Y146 HydrophobicContact CB-CG 3.76Å; F90-Y146 AromaticContact CD2-CD2 3.66Å; F90-Y146 HydrophobicContact CD2-CD2 3.66Å; F90-Y146 HydrophobicContact CD2-CG 4.09Å; F90-Y146 HydrophobicContact CE2-CD2 4.48Å; F90-Y146 AromaticContact CG-CD2 3.98Å; F90-Y146 HydrophobicContact CG-CD2 3.98Å; F90-Y146 AromaticContact CG-CG 3.95Å; F90-Y146 HydrophobicContact CG-CG 3.95Å; F90-E149 WeakPolarHBondContact CE2-OE1 3.45Å; F90-E149 WeakPolarHBondContact CE2-OE2 3.44Å
91K96.4Very high96.9Very high132 Ų13257.2 Ų57.257%0.57430%0.303SS*.Hα-helixtrans-66.9-38.7178.8-68-176.8179.9178.90112S89 K95 Y146S89-K91 PolarHBondContact O-N 2.92Å; K91-K95 WeakPolarHBondContact O-CG 3.44Å; K91-K95 PolarHBondContact O-N 3.28Å; K91-Y146 WeakPolarHBondContact CE-OH 3.23Å
92E98.1Very high97.1Very high93 Ų9358.2 Ų58.244%0.43531%0.31SS..Hα-helixtrans-72.3-44.3177.5-69.6163126.500111.4K88 S89 L94 K95 I96K88-E92 HydrophobicContact CB-CB 4.08Å; K88-E92 HydrophobicContact CD-CB 4.25Å; S89-E92 VanDerWaalsContact CB-OE2 3.31Å; S89-E92 WeakPolarHBondContact CB-OE2 3.47Å; S89-E92 PolarHBondContact N-OE2 2.69Å; S89-E92 PolarHBondContact O-N 3.47Å; S89-E92 WeakPolarHBondContact OG-CG 3.46Å; S89-E92 PolarHBondContact OG-N 3.37Å; S89-E92 PolarHBondContact OG-OE2 2.89Å; E92-L94 VanDerWaalsContact C-N 3.3Å; E92-L94 PolarHBondContact O-N 3.39Å; E92-K95 WeakPolarHBondContact O-CB 3.36Å; E92-K95 PolarHBondContact O-N 3.38Å; E92-I96 WeakPolarHBondContact O-CG1 3.48Å; E92-I96 PolarHBondContact O-N 3.11Å; E92-I96 VanDerWaalsContact O-N 3.16Å
93I98Very high97.2Very high0 Ų062 Ų620%033%0.328CS..Hα-helixtrans-64-37.9179.2-152.671.9000111.2F66 F70 Q83 K88 S89 F90 K95 I96 V97 F142F66-I93 HydrophobicContact CD2-CD1 4.15Å; F66-I93 HydrophobicContact CD2-CG1 4.4Å; F66-I93 HydrophobicContact CE2-CD1 3.95Å; F66-I93 HydrophobicContact CE2-CG1 3.88Å; F70-I93 HydrophobicContact CE2-CD1 3.6Å; F70-I93 HydrophobicContact CZ-CD1 3.69Å; Q83-I93 HydrophobicContact CB-CG1 4.38Å; Q83-I93 HydrophobicContact CG-CB 4.28Å; Q83-I93 HydrophobicContact CG-CG1 4.47Å; Q83-I93 HydrophobicContact CG-CG2 4.16Å; K88-I93 HydrophobicContact CB-CB 4.5Å; K88-I93 HydrophobicContact CB-CD1 4.32Å; K88-I93 HydrophobicContact CG-CD1 4.43Å; S89-I93 PolarHBondContact O-N 2.79Å; F90-I93 WeakPolarHBondContact O-CG2 3.42Å; I93-K95 VanDerWaalsContact C-N 3.32Å; I93-K95 PolarHBondContact O-N 2.78Å; I93-I96 HydrophobicContact CD1-CD1 4.38Å; I93-I96 WeakPolarHBondContact O-CB 3.41Å; I93-I96 PolarHBondContact O-N 2.68Å; I93-I96 VanDerWaalsContact O-N 3.12Å; I93-V97 WeakPolarHBondContact O-CG2 3.46Å; I93-V97 PolarHBondContact O-N 2.94Å; I93-F142 HydrophobicContact CG1-CD1 4.41Å; I93-F142 HydrophobicContact CG1-CE1 4.06Å; I93-F142 HydrophobicContact CG1-CE2 4.18Å; I93-F142 HydrophobicContact CG1-CZ 3.91Å; I93-F142 HydrophobicContact CG2-CB 4.1Å; I93-F142 HydrophobicContact CG2-CD1 3.61Å; I93-F142 HydrophobicContact CG2-CD2 4.27Å; I93-F142 HydrophobicContact CG2-CE1 4.06Å; I93-F142 HydrophobicContact CG2-CG 3.73Å
94L97.8Very high97.3Very high38 Ų3861.3 Ų61.320%0.19933%0.325CS..Hα-helixtrans-64.1-35.2176.6-78.2164.6000112.3F90 E92 I96 V97 E98 R139 F142F90-L94 VanDerWaalsContact O-CB 3.28Å; F90-L94 WeakPolarHBondContact O-CB 3.45Å; F90-L94 WeakPolarHBondContact O-CD1 3.45Å; F90-L94 WeakPolarHBondContact O-CG 3.46Å; F90-L94 PolarHBondContact O-N 3.37Å; E92-L94 VanDerWaalsContact C-N 3.3Å; E92-L94 PolarHBondContact O-N 3.39Å; L94-I96 VanDerWaalsContact C-N 3.34Å; L94-V97 WeakPolarHBondContact O-CB 3Å; L94-V97 PolarHBondContact O-N 2.84Å; L94-E98 PolarHBondContact O-N 3.32Å; L94-R139 HydrophobicContact CD2-CG 4.47Å; L94-F142 HydrophobicContact CD2-CB 3.88Å; L94-F142 HydrophobicContact CG-CB 4.22Å
95K98.1Very high97.5Very high156 Ų15659.9 Ų59.968%0.67831%0.314SS*.Hα-helixtrans-63.8-41.1171.7-71175-178.8-176.40111.7K91 E92 I93 V97 E98K91-K95 WeakPolarHBondContact O-CG 3.44Å; K91-K95 PolarHBondContact O-N 3.28Å; E92-K95 WeakPolarHBondContact O-CB 3.36Å; E92-K95 PolarHBondContact O-N 3.38Å; I93-K95 VanDerWaalsContact C-N 3.32Å; I93-K95 PolarHBondContact O-N 2.78Å; K95-V97 VanDerWaalsContact C-N 3.32Å; K95-E98 PolarHBondContact O-N 2.79Å
96I98.1Very high97.5Very high23 Ų2358.1 Ų58.112%0.11830%0.303CS..Hα-helixtrans-67.5-35.3178.2-63.2166.1000111F66 K69 F70 K88 E92 I93 L94 E98 E99F66-I96 HydrophobicContact CE1-CG2 4.06Å; F66-I96 HydrophobicContact CZ-CG2 4.07Å; K69-I96 HydrophobicContact CD-CG2 4.06Å; F70-I96 HydrophobicContact CE1-CD1 3.94Å; F70-I96 HydrophobicContact CZ-CD1 3.77Å; F70-I96 HydrophobicContact CZ-CG2 4.15Å; K88-I96 HydrophobicContact CG-CD1 4.4Å; E92-I96 WeakPolarHBondContact O-CG1 3.48Å; E92-I96 PolarHBondContact O-N 3.11Å; E92-I96 VanDerWaalsContact O-N 3.16Å; I93-I96 HydrophobicContact CD1-CD1 4.38Å; I93-I96 WeakPolarHBondContact O-CB 3.41Å; I93-I96 PolarHBondContact O-N 2.68Å; I93-I96 VanDerWaalsContact O-N 3.12Å; L94-I96 VanDerWaalsContact C-N 3.34Å; I96-E98 PolarHBondContact O-N 3.05Å; I96-E99 VanDerWaalsContact O-CB 3.32Å; I96-E99 WeakPolarHBondContact O-CB 3.41Å; I96-E99 PolarHBondContact O-N 3.08Å; I96-E99 VanDerWaalsContact O-N 3.11Å
97V98.3Very high97.6Very high0 Ų064.1 Ų64.10%033%0.329CS..Hα-helixtrans-58.3-34.5175.2163.80000112F66 I93 L94 K95 E99 L100 R135 A138 R139 F142F66-V97 HydrophobicContact CE2-CG2 4.02Å; F66-V97 HydrophobicContact CZ-CG2 3.79Å; I93-V97 WeakPolarHBondContact O-CG2 3.46Å; I93-V97 PolarHBondContact O-N 2.94Å; L94-V97 WeakPolarHBondContact O-CB 3Å; L94-V97 PolarHBondContact O-N 2.84Å; K95-V97 VanDerWaalsContact C-N 3.32Å; V97-E99 PolarHBondContact O-N 2.74Å; V97-L100 VanDerWaalsContact O-CB 3.3Å; V97-L100 WeakPolarHBondContact O-CB 3.44Å; V97-L100 PolarHBondContact O-N 3.02Å; V97-R135 HydrophobicContact CG1-CG 4.19Å; V97-R135 WeakPolarHBondContact O-CG 3.27Å; V97-A138 HydrophobicContact CG1-CB 3.84Å; V97-A138 HydrophobicContact CG2-CB 3.89Å; V97-R139 HydrophobicContact CG1-CB 3.87Å; V97-F142 HydrophobicContact CG2-CD2 3.67Å; V97-F142 HydrophobicContact CG2-CE2 4Å
98E98Very high97.6Very high83 Ų8365.1 Ų65.139%0.38832%0.315SS..THydrogen-bonded Turntrans-65.9-19179.4-63.3-57.614700113.4L94 K95 I96 L100 R135 R139L94-E98 PolarHBondContact O-N 3.32Å; K95-E98 PolarHBondContact O-N 2.79Å; I96-E98 PolarHBondContact O-N 3.05Å; E98-L100 VanDerWaalsContact C-N 3.31Å; E98-R135 PolarHBondContact O-NH1 3.4Å; E98-R135 VanDerWaalsContact O-NH1 3.09Å; E98-R139 WeakPolarHBondContact OE1-CD 3.39Å; E98-R139 IonicContact OE1-NH1 2.87Å; E98-R139 IonicContact OE2-NH1 3.67Å
99E97.2Very high97.7Very high131 Ų13162 Ų6261%0.61230%0.302SS*.THydrogen-bonded Turntrans-76.8-14.5173.4-55.8173.3-175.200113.1K69 I96 V97K69-E99 IonicContact NZ-OE2 3.62Å; K69-E99 PolarHBondContact NZ-OE2 2.69Å; I96-E99 VanDerWaalsContact O-CB 3.32Å; I96-E99 WeakPolarHBondContact O-CB 3.41Å; I96-E99 PolarHBondContact O-N 3.08Å; I96-E99 VanDerWaalsContact O-N 3.11Å; V97-E99 PolarHBondContact O-N 2.74Å
100L98.1Very high97.7Very high14 Ų1462.4 Ų62.47%0.07330%0.299CS..SBendtrans-71.4148.1178.6-67.7172.7000111V62 I65 F66 V97 E98 R135 A138V62-L100 HydrophobicContact CG1-CD1 4.18Å; V62-L100 HydrophobicContact CG2-CD1 4.41Å; I65-L100 HydrophobicContact CD1-CD2 4.38Å; I65-L100 HydrophobicContact CG2-CD2 4Å; F66-L100 HydrophobicContact CE1-CD1 3.98Å; F66-L100 HydrophobicContact CE1-CD2 4.03Å; F66-L100 HydrophobicContact CE1-CG 4.18Å; F66-L100 HydrophobicContact CZ-CD1 3.98Å; F66-L100 HydrophobicContact CZ-CG 4.5Å; V97-L100 VanDerWaalsContact O-CB 3.3Å; V97-L100 WeakPolarHBondContact O-CB 3.44Å; V97-L100 PolarHBondContact O-N 3.02Å; E98-L100 VanDerWaalsContact C-N 3.31Å; L100-R135 HydrophobicContact CB-CB 3.9Å; L100-R135 WeakPolarHBondContact O-CD 3.42Å; L100-A138 HydrophobicContact CD1-CB 3.87Å
101P97.9Very high97.8Very high53 Ų5368.3 Ų68.334%0.34433%0.331SS..  trans-64147.4167.528.8-34.4000110.6V104 L134 R135P101-V104 HydrophobicContact CB-CG1 3.65Å; P101-V104 HydrophobicContact CG-CG1 3.34Å; P101-L134 HydrophobicContact CG-CD1 4.23Å; P101-R135 WeakPolarHBondContact O-CB 3.12Å; P101-R135 PolarHBondContact O-N 3.25Å; P101-R135 VanDerWaalsContact O-N 3.08Å
102D97.5Very high97.8Very high80 Ų8065.4 Ų65.443%0.42832%0.322SS..SBendtrans-63.8-59177-89.3-23.8000111.9K133 L134 R135 P136D102-K133 CarbonylContact O-C 3.47Å; D102-K133 WeakPolarHBondContact O-CA 3.46Å; D102-L134 PolarHBondContact O-N 3.36Å; D102-R135 IonicContact OD1-CZ 2.75Å; D102-R135 IonicContact OD1-NE 2.9Å; D102-R135 PolarHBondContact OD1-NE 3.03Å; D102-R135 IonicContact OD1-NH2 3.17Å; D102-R135 PolarHBondContact OD1-NH2 2.99Å; D102-R135 IonicContact OD2-CZ 3.75Å; D102-R135 IonicContact OD2-NE 2.72Å; D102-R135 IonicContact OD2-NH2 3.74Å; D102-R135 PolarHBondContact OD2-NH2 2.99Å; D102-P136 WeakPolarHBondContact O-CD 3.4Å
103E97.7Very high97.7Very high79 Ų7961.3 Ų61.337%0.36930%0.303SS..EExtended strand (participates in β ladder)trans-131.9139.3179.6-177.5175.7113.100108.3K131 F132 K133E103-K131 HydrophobicContact CG-CB 4.45Å; E103-K131 WeakPolarHBondContact OE1-CD 3.46Å; E103-K131 WeakPolarHBondContact OE1-CE 3.46Å; E103-K131 IonicContact OE1-NZ 3.55Å; E103-K131 PolarHBondContact OE1-NZ 2.9Å; E103-F132 WeakPolarHBondContact CA-O 3.42Å; E103-K133 HydrophobicContact CB-CG 4.3Å; E103-K133 HydrophobicContact CG-CG 4.31Å; E103-K133 WeakPolarHBondContact OE2-CE 3.46Å
104V97.9Very high97.7Very high7 Ų762.8 Ų62.84%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-131.4152.7175.5-66.50000110.2P101 Q108 V109 L112 K131 F132 L134P101-V104 HydrophobicContact CB-CG1 3.65Å; P101-V104 HydrophobicContact CG-CG1 3.34Å; V104-Q108 HydrophobicContact CB-CB 3.96Å; V104-Q108 HydrophobicContact CG1-CB 4.34Å; V104-V109 HydrophobicContact CB-CG2 4.37Å; V104-V109 HydrophobicContact CG2-CG2 3.39Å; V104-L112 HydrophobicContact CG1-CD1 4.45Å; V104-K131 CarbonylContact O-C 3.6Å; V104-K131 WeakPolarHBondContact O-CA 3.45Å; V104-F132 HydrophobicContact CG2-CB 4.22Å; V104-F132 PolarHBondContact N-O 3.14Å; V104-F132 PolarHBondContact O-N 3.42Å; V104-L134 HydrophobicContact CG1-CD1 4.34Å; V104-L134 HydrophobicContact CG2-CD1 3.6Å; V104-L134 HydrophobicContact CG2-CD2 4.34Å; V104-L134 HydrophobicContact CG2-CG 3.8Å
105N98Very high97.7Very high60 Ų6063.6 Ų63.632%0.32133%0.33SS..EExtended strand (participates in β ladder)trans-86.2171.3169.972.729.7000111.6E107 Q108 V109 Q130N105-E107 VanDerWaalsContact C-N 3.32Å; N105-E107 PolarHBondContact O-N 3.22Å; N105-E107 PolarHBondContact OD1-N 2.9Å; N105-E107 VanDerWaalsContact OD1-N 3.13Å; N105-Q108 PolarHBondContact O-N 3.29Å; N105-Q108 WeakPolarHBondContact OD1-CB 3.38Å; N105-Q108 VanDerWaalsContact OD1-CG 3.3Å; N105-Q108 WeakPolarHBondContact OD1-CG 3.35Å; N105-Q108 PolarHBondContact OD1-N 3.42Å; N105-V109 WeakPolarHBondContact O-CG2 3.49Å; N105-V109 PolarHBondContact O-N 3.03Å; N105-Q130 CarbonylContact C-O 3.26Å; N105-Q130 WeakPolarHBondContact CA-O 3.47Å
106K96.9Very high97.6Very high53 Ų5362.6 Ų62.623%0.2333%0.332CS..Hα-helixtrans-58.8-39.4-178.1-166.7173.2-175.8171.40113.7V109 I110 L118 R127 Q130 F132K106-V109 PolarHBondContact O-N 2.99Å; K106-I110 HydrophobicContact CG-CD1 4.47Å; K106-I110 WeakPolarHBondContact O-CG1 3.48Å; K106-I110 PolarHBondContact O-N 3.03Å; K106-L118 HydrophobicContact CG-CD2 3.82Å; K106-R127 PolarHBondContact NZ-O 3.2Å; K106-R127 VanDerWaalsContact NZ-O 3.08Å; K106-Q130 PolarHBondContact N-O 3.34Å; K106-F132 HydrophobicContact CB-CE2 4.23Å; K106-F132 HydrophobicContact CG-CE2 4.45Å
107E97.4Very high97.5Very high143 Ų14365 Ų6567%0.66834%0.342SS*.Hα-helixtrans-64.5-46.3178.2-65.7171.517600110.8N105 V109 I110 D111N105-E107 VanDerWaalsContact C-N 3.32Å; N105-E107 PolarHBondContact O-N 3.22Å; N105-E107 PolarHBondContact OD1-N 2.9Å; N105-E107 VanDerWaalsContact OD1-N 3.13Å; E107-V109 VanDerWaalsContact C-N 3.27Å; E107-V109 PolarHBondContact O-N 2.96Å; E107-I110 CarbonylContact O-C 3.39Å; E107-I110 WeakPolarHBondContact O-CA 3.35Å; E107-I110 WeakPolarHBondContact O-CB 3.38Å; E107-I110 PolarHBondContact O-N 3.16Å; E107-D111 PolarHBondContact O-N 3.1Å
108Q98.2Very high97.4Very high90 Ų9065.2 Ų65.242%0.42134%0.343SS..Hα-helixtrans-61.2-34.8175.4-70.3171.9-42.800112.3V104 N105 D111 L112V104-Q108 HydrophobicContact CB-CB 3.96Å; V104-Q108 HydrophobicContact CG1-CB 4.34Å; N105-Q108 PolarHBondContact O-N 3.29Å; N105-Q108 WeakPolarHBondContact OD1-CB 3.38Å; N105-Q108 VanDerWaalsContact OD1-CG 3.3Å; N105-Q108 WeakPolarHBondContact OD1-CG 3.35Å; N105-Q108 PolarHBondContact OD1-N 3.42Å; Q108-D111 PolarHBondContact O-N 3.12Å; Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 WeakPolarHBondContact O-CG 3.44Å; Q108-L112 PolarHBondContact O-N 2.85Å
109V98Very high97.3Very high0 Ų065.4 Ų65.40%034%0.343CS..Hα-helixtrans-66.2-42.3172.4178.80000111I61 V104 N105 K106 E107 D111 L112 I113 L118 F132I61-V109 HydrophobicContact CD1-CG1 4.14Å; I61-V109 HydrophobicContact CD1-CG2 4.35Å; I61-V109 HydrophobicContact CG1-CG1 4.2Å; I61-V109 HydrophobicContact CG2-CG1 3.78Å; I61-V109 HydrophobicContact CG2-CG2 4.36Å; V104-V109 HydrophobicContact CB-CG2 4.37Å; V104-V109 HydrophobicContact CG2-CG2 3.39Å; N105-V109 WeakPolarHBondContact O-CG2 3.49Å; N105-V109 PolarHBondContact O-N 3.03Å; K106-V109 PolarHBondContact O-N 2.99Å; E107-V109 VanDerWaalsContact C-N 3.27Å; E107-V109 PolarHBondContact O-N 2.96Å; V109-D111 VanDerWaalsContact C-N 3.28Å; V109-D111 PolarHBondContact O-N 2.87Å; V109-L112 PolarHBondContact O-N 3.17Å; V109-L112 VanDerWaalsContact O-N 3.11Å; V109-I113 HydrophobicContact CG1-CD1 3.83Å; V109-I113 HydrophobicContact CG1-CG1 3.85Å; V109-I113 VanDerWaalsContact O-CG1 3.27Å; V109-I113 WeakPolarHBondContact O-CG1 3.5Å; V109-I113 PolarHBondContact O-N 3.34Å; V109-L118 HydrophobicContact CB-CD2 4.44Å; V109-L118 HydrophobicContact CG1-CB 4.4Å; V109-L118 HydrophobicContact CG1-CD1 3.78Å; V109-L118 HydrophobicContact CG1-CD2 4.19Å; V109-L118 HydrophobicContact CG1-CG 4.34Å; V109-F132 HydrophobicContact CG2-CD2 3.66Å; V109-F132 HydrophobicContact CG2-CE2 4.23Å; V109-F132 HydrophobicContact CG2-CG 4.35Å
110I97.9Very high97.2Very high61 Ų6163.3 Ų63.331%0.31333%0.333SS..Hα-helixtrans-60.3-41176-68.2166.2000110.4K106 E107 L112 G114 A115 L118K106-I110 HydrophobicContact CG-CD1 4.47Å; K106-I110 WeakPolarHBondContact O-CG1 3.48Å; K106-I110 PolarHBondContact O-N 3.03Å; E107-I110 CarbonylContact O-C 3.39Å; E107-I110 WeakPolarHBondContact O-CA 3.35Å; E107-I110 WeakPolarHBondContact O-CB 3.38Å; E107-I110 PolarHBondContact O-N 3.16Å; I110-L112 VanDerWaalsContact C-N 3.29Å; I110-L112 PolarHBondContact O-N 3.39Å; I110-G114 WeakPolarHBondContact O-CA 3.32Å; I110-G114 PolarHBondContact O-N 3.26Å; I110-A115 HydrophobicContact CG1-CB 4.44Å; I110-A115 HydrophobicContact CG2-CB 4.12Å; I110-L118 HydrophobicContact CD1-CD2 4.29Å; I110-L118 HydrophobicContact CG1-CD2 3.7Å
111D97.9Very high97Very high138 Ų13862.6 Ų62.674%0.73833%0.33SS*.Hα-helixtrans-64.4-35.3175.5-66.6-22.4000112.3E107 Q108 V109E107-D111 PolarHBondContact O-N 3.1Å; Q108-D111 PolarHBondContact O-N 3.12Å; V109-D111 VanDerWaalsContact C-N 3.28Å; V109-D111 PolarHBondContact O-N 2.87Å
112L96.6Very high96.8Very high72 Ų7260.9 Ų60.938%0.37732%0.318SS..Hα-helixtrans-75.2-41.8-178.7-75.8169.7000113.7I65 Q68 V104 Q108 V109 I110 L134I65-L112 HydrophobicContact CD1-CD1 4.22Å; Q68-L112 PolarHBondContact OE1-O 3.06Å; Q68-L112 VanDerWaalsContact OE1-O 3.11Å; V104-L112 HydrophobicContact CG1-CD1 4.45Å; Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 WeakPolarHBondContact O-CG 3.44Å; Q108-L112 PolarHBondContact O-N 2.85Å; V109-L112 PolarHBondContact O-N 3.17Å; V109-L112 VanDerWaalsContact O-N 3.11Å; I110-L112 VanDerWaalsContact C-N 3.29Å; I110-L112 PolarHBondContact O-N 3.39Å; L112-L134 HydrophobicContact CD1-CD1 4.37Å
113I97.2Very high96.3Very high7 Ų759.3 Ų59.34%0.03631%0.311CS..Hα-helixtrans-126.1-11.3-171.362167.9000114.9I61 Q64 I65 Q68 V109 K117 L118I61-I113 HydrophobicContact CG2-CD1 4.35Å; Q64-I113 HydrophobicContact CB-CB 4.28Å; Q64-I113 HydrophobicContact CB-CD1 3.95Å; Q64-I113 HydrophobicContact CB-CG2 3.97Å; Q64-I113 HydrophobicContact CG-CD1 4.32Å; I65-I113 HydrophobicContact CB-CG2 4.3Å; I65-I113 HydrophobicContact CG1-CG2 3.4Å; Q68-I113 PolarHBondContact NE2-O 3.28Å; V109-I113 HydrophobicContact CG1-CD1 3.83Å; V109-I113 HydrophobicContact CG1-CG1 3.85Å; V109-I113 VanDerWaalsContact O-CG1 3.27Å; V109-I113 WeakPolarHBondContact O-CG1 3.5Å; V109-I113 PolarHBondContact O-N 3.34Å; I113-K117 HydrophobicContact CB-CB 4.12Å; I113-K117 HydrophobicContact CD1-CB 4.13Å; I113-K117 HydrophobicContact CG1-CB 4.21Å; I113-K117 VanDerWaalsContact O-CB 3.24Å; I113-K117 WeakPolarHBondContact O-CB 3.48Å; I113-K117 WeakPolarHBondContact O-CG 3.48Å; I113-L118 HydrophobicContact CD1-CB 4.22Å
114G97.6Very high95.7Very high30 Ų3063.9 Ų63.931%0.30933%0.332SS..  trans87.5150.2-172.700000113.2I110 D116 K117 L118I110-G114 WeakPolarHBondContact O-CA 3.32Å; I110-G114 PolarHBondContact O-N 3.26Å; G114-D116 VanDerWaalsContact C-N 3.35Å; G114-D116 PolarHBondContact O-N 2.8Å; G114-K117 PolarHBondContact O-N 3.5Å; G114-L118 PolarHBondContact O-N 3.04Å
115A96.8Very high95.1Very high55 Ų5567.7 Ų67.746%0.45535%0.353SS..Hα-helixtrans-60.7-41.7-177.800000112.6I110 K117 L118 E119I110-A115 HydrophobicContact CG1-CB 4.44Å; I110-A115 HydrophobicContact CG2-CB 4.12Å; A115-K117 VanDerWaalsContact C-N 3.3Å; A115-K117 PolarHBondContact O-N 2.96Å; A115-L118 PolarHBondContact O-N 3.25Å; A115-E119 WeakPolarHBondContact O-CB 3.41Å; A115-E119 PolarHBondContact O-N 2.99Å
116D96.3Very high94.7Very high135 Ų13564.9 Ų64.972%0.72234%0.337SS*.Hα-helixtrans-61.9-38.9178.5-60.2-28000111.8G114 E119 E120G114-D116 VanDerWaalsContact C-N 3.35Å; G114-D116 PolarHBondContact O-N 2.8Å; D116-E119 WeakPolarHBondContact O-CB 3.39Å; D116-E119 PolarHBondContact O-N 3.48Å; D116-E120 WeakPolarHBondContact O-CG 3.34Å; D116-E120 PolarHBondContact O-N 3.35Å; D116-E120 VanDerWaalsContact O-N 3.11Å
117K96.4Very high94.3Very high75 Ų7567.8 Ų67.833%0.32635%0.347SS..Hα-helixtrans-75.4-33.1178.9-60.8-55.4179.4-169.30112.9Q64 I113 G114 A115 E119 E120 C121Q64-K117 HydrophobicContact CG-CB 4.43Å; I113-K117 HydrophobicContact CB-CB 4.12Å; I113-K117 HydrophobicContact CD1-CB 4.13Å; I113-K117 HydrophobicContact CG1-CB 4.21Å; I113-K117 VanDerWaalsContact O-CB 3.24Å; I113-K117 WeakPolarHBondContact O-CB 3.48Å; I113-K117 WeakPolarHBondContact O-CG 3.48Å; G114-K117 PolarHBondContact O-N 3.5Å; A115-K117 VanDerWaalsContact C-N 3.3Å; A115-K117 PolarHBondContact O-N 2.96Å; K117-E119 VanDerWaalsContact C-N 3.32Å; K117-E120 WeakPolarHBondContact CD-OE1 3.45Å; K117-E120 WeakPolarHBondContact CD-OE2 3.36Å; K117-E120 IonicContact NZ-OE1 3.76Å; K117-E120 PolarHBondContact NZ-OE1 3.27Å; K117-E120 IonicContact NZ-OE2 2.67Å; K117-E120 PolarHBondContact NZ-OE2 3.47Å; K117-E120 PolarHBondContact O-N 2.98Å; K117-C121 PolarHBondContact O-N 3.4Å; K117-C121 PolarHBondContact O-SG 2.95Å
118L96.4Very high94Very high4 Ų465.2 Ų65.22%0.02134%0.344CS..Hα-helixtrans-62.9-43.6169.4175.355.7000110.5I61 K106 V109 I110 I113 G114 A115 E120 C121 L122I61-L118 HydrophobicContact CD1-CD1 4.12Å; I61-L118 HydrophobicContact CG1-CD1 4.23Å; K106-L118 HydrophobicContact CG-CD2 3.82Å; V109-L118 HydrophobicContact CB-CD2 4.44Å; V109-L118 HydrophobicContact CG1-CB 4.4Å; V109-L118 HydrophobicContact CG1-CD1 3.78Å; V109-L118 HydrophobicContact CG1-CD2 4.19Å; V109-L118 HydrophobicContact CG1-CG 4.34Å; I110-L118 HydrophobicContact CD1-CD2 4.29Å; I110-L118 HydrophobicContact CG1-CD2 3.7Å; I113-L118 HydrophobicContact CD1-CB 4.22Å; G114-L118 PolarHBondContact O-N 3.04Å; A115-L118 PolarHBondContact O-N 3.25Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 3.29Å; L118-C121 WeakPolarHBondContact O-CA 3.41Å; L118-C121 VanDerWaalsContact O-CB 3.27Å; L118-C121 WeakPolarHBondContact O-CB 3.47Å; L118-C121 PolarHBondContact O-N 3.14Å; L118-L122 HydrophobicContact CD1-CD1 4.18Å; L118-L122 HydrophobicContact CD1-CD2 4.3Å; L118-L122 HydrophobicContact CD1-CG 4.11Å; L118-L122 HydrophobicContact CG-CD1 4.04Å; L118-L122 HydrophobicContact CG-CG 4.43Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 3.3Å
119E95.1Very high93.6Very high86 Ų8662.3 Ų62.340%0.40233%0.331SS..Hα-helixtrans-59.6-40177.8-17560.2-158.400112.2A115 D116 K117 C121 L122 R127A115-E119 WeakPolarHBondContact O-CB 3.41Å; A115-E119 PolarHBondContact O-N 2.99Å; D116-E119 WeakPolarHBondContact O-CB 3.39Å; D116-E119 PolarHBondContact O-N 3.48Å; K117-E119 VanDerWaalsContact C-N 3.32Å; E119-C121 PolarHBondContact O-N 2.95Å; E119-L122 PolarHBondContact O-N 3.49Å; E119-R127 VanDerWaalsContact CD-NH1 3.26Å; E119-R127 IonicContact OE1-CZ 3.7Å; E119-R127 IonicContact OE1-NH1 3.69Å; E119-R127 PolarHBondContact OE1-NH1 2.9Å; E119-R127 IonicContact OE1-NH2 3.73Å; E119-R127 PolarHBondContact OE1-NH2 3.42Å; E119-R127 IonicContact OE2-CZ 3.69Å; E119-R127 IonicContact OE2-NH1 2.78Å; E119-R127 PolarHBondContact OE2-NH1 3.35Å
120E94.8Very high93.5Very high87 Ų8767.7 Ų67.741%0.40736%0.356SS..Hα-helixtrans-60.6-25.2172-68.3172.3-163.700113.5Q64 F77 D116 K117 L118Q64-E120 PolarHBondContact NE2-OE2 3.3Å; F77-E120 HydrophobicContact CZ-CB 4.08Å; F77-E120 WeakPolarHBondContact CZ-O 3.31Å; D116-E120 WeakPolarHBondContact O-CG 3.34Å; D116-E120 PolarHBondContact O-N 3.35Å; D116-E120 VanDerWaalsContact O-N 3.11Å; K117-E120 WeakPolarHBondContact CD-OE1 3.45Å; K117-E120 WeakPolarHBondContact CD-OE2 3.36Å; K117-E120 IonicContact NZ-OE1 3.76Å; K117-E120 PolarHBondContact NZ-OE1 3.27Å; K117-E120 IonicContact NZ-OE2 2.67Å; K117-E120 PolarHBondContact NZ-OE2 3.47Å; K117-E120 PolarHBondContact O-N 2.98Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 3.29Å
121C94.6Very high93.4Very high0 Ų070.6 Ų70.60%037%0.366CS..Hα-helixtrans-78.8-41.7179.9-62.20000111.7I57 R60 I61 K117 L118 E119I57-C121 WeakPolarHBondContact CD1-O 3.44Å; R60-C121 HydrophobicContact CB-CB 3.85Å; R60-C121 WeakPolarHBondContact CD-O 3.42Å; R60-C121 PolarHBondContact NH1-O 3.25Å; I61-C121 HydrophobicContact CG1-CB 4.25Å; K117-C121 PolarHBondContact O-N 3.4Å; K117-C121 PolarHBondContact O-SG 2.95Å; L118-C121 WeakPolarHBondContact O-CA 3.41Å; L118-C121 VanDerWaalsContact O-CB 3.27Å; L118-C121 WeakPolarHBondContact O-CB 3.47Å; L118-C121 PolarHBondContact O-N 3.14Å; E119-C121 PolarHBondContact O-N 2.95Å
122L92.9Very high93.3Very high17 Ų1764 Ų649%0.08933%0.331CS..  trans-72.2152.3-167.1-63.5170.4000113.6I57 L118 E119I57-L122 HydrophobicContact CG2-CD2 3.76Å; L118-L122 HydrophobicContact CD1-CD1 4.18Å; L118-L122 HydrophobicContact CD1-CD2 4.3Å; L118-L122 HydrophobicContact CD1-CG 4.11Å; L118-L122 HydrophobicContact CG-CD1 4.04Å; L118-L122 HydrophobicContact CG-CG 4.43Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 3.3Å; E119-L122 PolarHBondContact O-N 3.49Å
123T87.3Confident93.4Very high46 Ų4663.1 Ų63.128%0.28232%0.324SS..  trans-113.1162.4165.1580000109.9I57 N125 T126 R127I57-T123 HydrophobicContact CD1-CG2 4.47Å; T123-N125 VanDerWaalsContact C-N 3.28Å; T123-N125 PolarHBondContact O-N 2.78Å; T123-N125 VanDerWaalsContact O-N 3.15Å; T123-N125 PolarHBondContact OG1-OD1 2.86Å; T123-T126 PolarHBondContact N-OG1 3.32Å; T123-T126 PolarHBondContact O-N 3.45Å; T123-T126 PolarHBondContact O-OG1 2.94Å; T123-T126 WeakPolarHBondContact OG1-CG2 3.4Å; T123-T126 PolarHBondContact OG1-OG1 3.38Å; T123-T126 VanDerWaalsContact OG1-OG1 3.09Å; T123-R127 PolarHBondContact O-N 2.93Å
124E85.9Confident93.5Very high176 Ų17662.8 Ų62.882%0.82232%0.322SS*.G310 helixtrans-48.4-46.8-176.5-171.4175.2-174.900113.5T126E124-T126 VanDerWaalsContact C-N 3.25Å; E124-T126 PolarHBondContact O-N 2.67Å
125N85.4Confident93.5Very high87 Ų8764.3 Ų64.347%0.46532%0.319SS..G310 helixtrans-78.34.3-179.866.2-22.9000115.6N53 T123N53-N125 PolarHBondContact ND2-ND2 3.41Å; T123-N125 VanDerWaalsContact C-N 3.28Å; T123-N125 PolarHBondContact O-N 2.78Å; T123-N125 VanDerWaalsContact O-N 3.15Å; T123-N125 PolarHBondContact OG1-OD1 2.86Å
126T88.3Confident93.6Very high0 Ų062.3 Ų62.30%030%0.301CS..G310 helixtrans-120.9-4.6179.461.50000112.9N53 I57 T123 E124 S128 F129N53-T126 HydrophobicContact CB-CG2 3.79Å; I57-T126 HydrophobicContact CD1-CG2 4.27Å; I57-T126 HydrophobicContact CG1-CG2 3.69Å; T123-T126 PolarHBondContact N-OG1 3.32Å; T123-T126 PolarHBondContact O-N 3.45Å; T123-T126 PolarHBondContact O-OG1 2.94Å; T123-T126 WeakPolarHBondContact OG1-CG2 3.4Å; T123-T126 PolarHBondContact OG1-OG1 3.38Å; T123-T126 VanDerWaalsContact OG1-OG1 3.09Å; E124-T126 VanDerWaalsContact C-N 3.25Å; E124-T126 PolarHBondContact O-N 2.67Å; T126-S128 PolarHBondContact O-N 2.89Å; T126-F129 HydrophobicContact CG2-CD2 4.19Å; T126-F129 HydrophobicContact CG2-CE2 3.67Å; T126-F129 HydrophobicContact CG2-CZ 4.15Å; T126-F129 VanDerWaalsContact O-CB 3.32Å; T126-F129 WeakPolarHBondContact O-CB 3.18Å; T126-F129 WeakPolarHBondContact O-CG 3.48Å; T126-F129 PolarHBondContact O-N 3.15Å
127R89.4Confident93.7Very high115 Ų11556 Ų5643%0.43427%0.267SS..THydrogen-bonded Turntrans-59.4-29.4-178.9-69.9178174-81.4-5.6113.9K106 E119 T123 F129K106-R127 PolarHBondContact NZ-O 3.2Å; K106-R127 VanDerWaalsContact NZ-O 3.08Å; E119-R127 VanDerWaalsContact CD-NH1 3.26Å; E119-R127 IonicContact OE1-CZ 3.7Å; E119-R127 IonicContact OE1-NH1 3.69Å; E119-R127 PolarHBondContact OE1-NH1 2.9Å; E119-R127 IonicContact OE1-NH2 3.73Å; E119-R127 PolarHBondContact OE1-NH2 3.42Å; E119-R127 IonicContact OE2-CZ 3.69Å; E119-R127 IonicContact OE2-NH1 2.78Å; E119-R127 PolarHBondContact OE2-NH1 3.35Å; T123-R127 PolarHBondContact O-N 2.93Å; R127-F129 VanDerWaalsContact C-N 3.29Å
128S90.1Very high93.8Very high88 Ų8852.4 Ų52.462%0.61525%0.252SS*.THydrogen-bonded Turntrans-77.7-11.6179.956.60000113.5T126 Q130T126-S128 PolarHBondContact O-N 2.89Å; S128-Q130 PolarHBondContact O-NE2 2.84Å
129F91.5Very high93.9Very high30 Ų3055.6 Ų55.613%0.13226%0.263CS..  trans-66.8138.9-178.5-66.1-4.9000111.6E54 T126 R127 F132E54-F129 HydrophobicContact CB-CD2 4.34Å; E54-F129 HydrophobicContact CB-CE2 3.59Å; E54-F129 HydrophobicContact CB-CZ 4.25Å; E54-F129 HydrophobicContact CG-CD2 4.13Å; E54-F129 HydrophobicContact CG-CE2 3.85Å; T126-F129 HydrophobicContact CG2-CD2 4.19Å; T126-F129 HydrophobicContact CG2-CE2 3.67Å; T126-F129 HydrophobicContact CG2-CZ 4.15Å; T126-F129 VanDerWaalsContact O-CB 3.32Å; T126-F129 WeakPolarHBondContact O-CB 3.18Å; T126-F129 WeakPolarHBondContact O-CG 3.48Å; T126-F129 PolarHBondContact O-N 3.15Å; R127-F129 VanDerWaalsContact C-N 3.29Å; F129-F132 HydrophobicContact CB-CE1 3.99Å; F129-F132 HydrophobicContact CB-CZ 4.05Å
130Q94.4Very high94Very high112 Ų11252.3 Ų52.352%0.52325%0.248SC..  trans-114.9-15.1-174-60.7-54.2-43.100113.5N105 K106 S128N105-Q130 CarbonylContact C-O 3.26Å; N105-Q130 WeakPolarHBondContact CA-O 3.47Å; K106-Q130 PolarHBondContact N-O 3.34Å; S128-Q130 PolarHBondContact O-NE2 2.84Å
131K96.3Very high94.2Very high122 Ų12250.2 Ų50.253%0.5324%0.241SC..EExtended strand (participates in β ladder)trans-135.2144.7-174.4-69177.7157.2-138.60109.8E103 V104E103-K131 HydrophobicContact CG-CB 4.45Å; E103-K131 WeakPolarHBondContact OE1-CD 3.46Å; E103-K131 WeakPolarHBondContact OE1-CE 3.46Å; E103-K131 IonicContact OE1-NZ 3.55Å; E103-K131 PolarHBondContact OE1-NZ 2.9Å; V104-K131 CarbonylContact O-C 3.6Å; V104-K131 WeakPolarHBondContact O-CA 3.45Å
132F97Very high94.4Very high0 Ų050.3 Ų50.30%024%0.241CC..EExtended strand (participates in β ladder)trans-142.4124.2-176.5-52.8-83.3000109.3I57 E58 I61 E103 V104 K106 V109 F129 L134I57-F132 HydrophobicContact CG2-CD1 4.12Å; I57-F132 HydrophobicContact CG2-CE1 3.79Å; E58-F132 HydrophobicContact CG-CB 4.23Å; E58-F132 HydrophobicContact CG-CD1 4.45Å; I61-F132 HydrophobicContact CD1-CB 4.08Å; I61-F132 HydrophobicContact CD1-CD1 3.46Å; I61-F132 VanDerWaalsContact CD1-CD1 3.46Å; I61-F132 HydrophobicContact CD1-CD2 4.14Å; I61-F132 HydrophobicContact CD1-CE1 3.88Å; I61-F132 HydrophobicContact CD1-CE2 4.49Å; I61-F132 HydrophobicContact CD1-CG 3.61Å; I61-F132 HydrophobicContact CD1-CZ 4.37Å; E103-F132 WeakPolarHBondContact CA-O 3.42Å; V104-F132 HydrophobicContact CG2-CB 4.22Å; V104-F132 PolarHBondContact N-O 3.14Å; V104-F132 PolarHBondContact O-N 3.42Å; K106-F132 HydrophobicContact CB-CE2 4.23Å; K106-F132 HydrophobicContact CG-CE2 4.45Å; V109-F132 HydrophobicContact CG2-CD2 3.66Å; V109-F132 HydrophobicContact CG2-CE2 4.23Å; V109-F132 HydrophobicContact CG2-CG 4.35Å; F129-F132 HydrophobicContact CB-CE1 3.99Å; F129-F132 HydrophobicContact CB-CZ 4.05Å; F132-L134 HydrophobicContact CB-CD2 3.99Å
133K97.9Very high94.6Very high53 Ų5350.2 Ų50.223%0.2324%0.242CC..EExtended strand (participates in β ladder)trans-85.2118.8171.2-60.1-166.5-174.6176.80109.3E58 D102 E103 P136 R137 E179E58-K133 WeakPolarHBondContact CB-O 3.1Å; E58-K133 WeakPolarHBondContact CG-O 3.34Å; E58-K133 WeakPolarHBondContact OE1-CA 3.4Å; E58-K133 WeakPolarHBondContact OE1-CB 3.08Å; E58-K133 PolarHBondContact OE1-N 3.31Å; D102-K133 CarbonylContact O-C 3.47Å; D102-K133 WeakPolarHBondContact O-CA 3.46Å; E103-K133 HydrophobicContact CB-CG 4.3Å; E103-K133 HydrophobicContact CG-CG 4.31Å; E103-K133 WeakPolarHBondContact OE2-CE 3.46Å; K133-P136 HydrophobicContact CB-CG 3.86Å; K133-P136 HydrophobicContact CD-CG 4.42Å; K133-R137 HydrophobicContact CB-CG 4.23Å; K133-R137 WeakPolarHBondContact O-CG 3.42Å; K133-E179 WeakPolarHBondContact CD-OE2 3.2Å; K133-E179 WeakPolarHBondContact CE-OE2 3.43Å; K133-E179 IonicContact NZ-OE1 3.05Å; K133-E179 PolarHBondContact NZ-OE1 2.75Å; K133-E179 IonicContact NZ-OE2 3.99Å; K133-E179 PolarHBondContact NZ-OE2 3.15Å
134L98.2Very high95.1Very high0 Ų049.8 Ų49.80%024%0.237CC..  trans-101.2-65-174-55.6-171.2000111.4I61 V62 I65 P101 D102 V104 L112 F132 R137 A138I61-L134 HydrophobicContact CB-CD2 4.08Å; I61-L134 HydrophobicContact CG2-CD1 4.17Å; I61-L134 HydrophobicContact CG2-CD2 3.69Å; V62-L134 HydrophobicContact CG2-CB 4.03Å; V62-L134 HydrophobicContact CG2-CD2 4.19Å; I65-L134 HydrophobicContact CD1-CD1 3.63Å; P101-L134 HydrophobicContact CG-CD1 4.23Å; D102-L134 PolarHBondContact O-N 3.36Å; V104-L134 HydrophobicContact CG1-CD1 4.34Å; V104-L134 HydrophobicContact CG2-CD1 3.6Å; V104-L134 HydrophobicContact CG2-CD2 4.34Å; V104-L134 HydrophobicContact CG2-CG 3.8Å; L112-L134 HydrophobicContact CD1-CD1 4.37Å; F132-L134 HydrophobicContact CB-CD2 3.99Å; L134-R137 PolarHBondContact O-N 3.16Å; L134-A138 WeakPolarHBondContact O-CB 3.36Å; L134-A138 PolarHBondContact O-N 2.92Å
135R98.6Very high95.7Very high62 Ų6242.5 Ų42.523%0.23421%0.207CC..Hα-helixtrans-52.7-53.5-178-179.2165.662.1-177.76.1113.8V97 E98 L100 P101 D102 R137 A138 R139V97-R135 HydrophobicContact CG1-CG 4.19Å; V97-R135 WeakPolarHBondContact O-CG 3.27Å; E98-R135 PolarHBondContact O-NH1 3.4Å; E98-R135 VanDerWaalsContact O-NH1 3.09Å; L100-R135 HydrophobicContact CB-CB 3.9Å; L100-R135 WeakPolarHBondContact O-CD 3.42Å; P101-R135 WeakPolarHBondContact O-CB 3.12Å; P101-R135 PolarHBondContact O-N 3.25Å; P101-R135 VanDerWaalsContact O-N 3.08Å; D102-R135 IonicContact OD1-CZ 2.75Å; D102-R135 IonicContact OD1-NE 2.9Å; D102-R135 PolarHBondContact OD1-NE 3.03Å; D102-R135 IonicContact OD1-NH2 3.17Å; D102-R135 PolarHBondContact OD1-NH2 2.99Å; D102-R135 IonicContact OD2-CZ 3.75Å; D102-R135 IonicContact OD2-NE 2.72Å; D102-R135 IonicContact OD2-NH2 3.74Å; D102-R135 PolarHBondContact OD2-NH2 2.99Å; R135-R137 VanDerWaalsContact C-N 3.31Å; R135-R137 PolarHBondContact O-N 3.31Å; R135-A138 PolarHBondContact O-N 3.11Å; R135-R139 VanDerWaalsContact O-CB 3.3Å; R135-R139 WeakPolarHBondContact O-CB 3.42Å; R135-R139 PolarHBondContact O-N 3.02Å
136P98.4Very high96.2Very high13 Ų1341.1 Ų41.18%0.08420%0.195CC..Hα-helixtrans-64.8-35.6-176.727.3-36.6000111.8D102 K133 R139 H140 D177D102-P136 WeakPolarHBondContact O-CD 3.4Å; K133-P136 HydrophobicContact CB-CG 3.86Å; K133-P136 HydrophobicContact CD-CG 4.42Å; P136-R139 PolarHBondContact O-N 2.97Å; P136-H140 WeakPolarHBondContact O-CB 3.43Å; P136-H140 PolarHBondContact O-N 3.23Å; P136-D177 CarbonylContact C-O 3.56Å; P136-D177 HydrophobicContact CB-CB 4.43Å; P136-D177 WeakPolarHBondContact CB-O 3.46Å; P136-D177 WeakPolarHBondContact O-CB 3.47Å
137R98.1Very high96.7Very high3 Ų342.3 Ų42.31%0.01120%0.2CC..Hα-helixtrans-68.3-44.5177.3-54.9-54.5-173.7-129.1-4.2112.4R55 E58 K133 L134 R135 H140 V141 D177 Y178 E179R55-R137 VanDerWaalsContact CZ-CZ 3.46Å; E58-R137 HydrophobicContact CB-CB 4.28Å; E58-R137 HydrophobicContact CB-CG 3.87Å; E58-R137 HydrophobicContact CG-CG 4.37Å; E58-R137 IonicContact OE1-NE 2.64Å; E58-R137 IonicContact OE1-NH2 2.8Å; E58-R137 WeakPolarHBondContact OE2-CD 3.33Å; E58-R137 WeakPolarHBondContact OE2-CG 3.46Å; E58-R137 IonicContact OE2-CZ 3.19Å; E58-R137 IonicContact OE2-NE 3.88Å; E58-R137 PolarHBondContact OE2-NE 2.93Å; E58-R137 IonicContact OE2-NH2 2.64Å; K133-R137 HydrophobicContact CB-CG 4.23Å; K133-R137 WeakPolarHBondContact O-CG 3.42Å; L134-R137 PolarHBondContact O-N 3.16Å; R135-R137 VanDerWaalsContact C-N 3.31Å; R135-R137 PolarHBondContact O-N 3.31Å; R137-H140 PolarHBondContact O-N 3.34Å; R137-V141 WeakPolarHBondContact O-CG2 3.46Å; R137-V141 PolarHBondContact O-N 3.34Å; R137-D177 PolarHBondContact NH1-O 2.89Å; R137-Y178 PolarHBondContact NH1-O 3.22Å; R137-E179 IonicContact CZ-OE2 3.95Å; R137-E179 VanDerWaalsContact CZ-OE2 3.24Å; R137-E179 IonicContact NH1-OE2 3.23Å; R137-E179 PolarHBondContact NH1-OE2 2.99Å; R137-E179 IonicContact NH2-OE2 3.96Å; R137-E179 PolarHBondContact NH2-OE2 3.35Å
138A98.3Very high97.1Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-60.4-47.5174.500000110.8V62 V97 L100 L134 R135 H140 V141 F142V62-A138 HydrophobicContact CB-CB 4.48Å; V62-A138 HydrophobicContact CG1-CB 3.68Å; V62-A138 HydrophobicContact CG2-CB 4.07Å; V97-A138 HydrophobicContact CG1-CB 3.84Å; V97-A138 HydrophobicContact CG2-CB 3.89Å; L100-A138 HydrophobicContact CD1-CB 3.87Å; L134-A138 WeakPolarHBondContact O-CB 3.36Å; L134-A138 PolarHBondContact O-N 2.92Å; R135-A138 PolarHBondContact O-N 3.11Å; A138-H140 VanDerWaalsContact C-N 3.33Å; A138-H140 PolarHBondContact O-N 3.24Å; A138-V141 PolarHBondContact O-N 3.21Å; A138-F142 HydrophobicContact CB-CD2 4.43Å; A138-F142 HydrophobicContact CB-CE2 4.49Å; A138-F142 WeakPolarHBondContact O-CD2 3.33Å; A138-F142 PolarHBondContact O-N 3.41Å
139R98.6Very high97.4Very high71 Ų7139 Ų3927%0.26818%0.184SC..Hα-helixtrans-57.7-46.8178.4179.216966.3-154.10.1111L94 V97 E98 R135 P136 S143 D177L94-R139 HydrophobicContact CD2-CG 4.47Å; V97-R139 HydrophobicContact CG1-CB 3.87Å; E98-R139 WeakPolarHBondContact OE1-CD 3.39Å; E98-R139 IonicContact OE1-NH1 2.87Å; E98-R139 IonicContact OE2-NH1 3.67Å; R135-R139 VanDerWaalsContact O-CB 3.3Å; R135-R139 WeakPolarHBondContact O-CB 3.42Å; R135-R139 PolarHBondContact O-N 3.02Å; P136-R139 PolarHBondContact O-N 2.97Å; R139-S143 WeakPolarHBondContact O-CB 3.42Å; R139-S143 PolarHBondContact O-N 2.99Å; R139-S143 PolarHBondContact O-OG 3.09Å; R139-D177 IonicContact CZ-OD1 3.5Å; R139-D177 IonicContact NE-OD1 4Å; R139-D177 PolarHBondContact NE-OD1 2.93Å; R139-D177 IonicContact NE-OD2 2.67Å; R139-D177 IonicContact NH2-OD1 2.94Å; R139-D177 PolarHBondContact NH2-OD1 2.77Å
140H98.5Very high97.7Very high16 Ų1640.1 Ų40.17%0.07419%0.189CC..Hα-helixtrans-55.7-57.2174.9178.169.4000111.3P136 R137 A138 F142 S143 E144 S173 C174 D177 Y178P136-H140 WeakPolarHBondContact O-CB 3.43Å; P136-H140 PolarHBondContact O-N 3.23Å; R137-H140 PolarHBondContact O-N 3.34Å; A138-H140 VanDerWaalsContact C-N 3.33Å; A138-H140 PolarHBondContact O-N 3.24Å; H140-F142 PolarHBondContact O-N 3.36Å; H140-S143 PolarHBondContact O-N 2.9Å; H140-S143 PolarHBondContact O-OG 2.84Å; H140-E144 WeakPolarHBondContact O-CB 3.5Å; H140-E144 PolarHBondContact O-N 2.67Å; H140-S173 PolarHBondContact ND1-OG 2.68Å; H140-C174 VanDerWaalsContact CE1-SG 3.58Å; H140-D177 HydrophobicContact CB-CB 3.81Å; H140-Y178 HydrophobicContact CB-CD2 3.8Å; H140-Y178 HydrophobicContact CB-CG 4.38Å; H140-Y178 AromaticContact CD2-CD2 3.08Å; H140-Y178 WeakPolarHBondContact CD2-CD2 3.39Å; H140-Y178 AromaticContact CD2-CE2 3.59Å; H140-Y178 AromaticContact CD2-CG 3.35Å; H140-Y178 AromaticContact CG-CD2 3.51Å; H140-Y178 AromaticContact CG-CG 3.75Å; H140-Y178 AromaticContact NE2-CD2 3.93Å; H140-Y178 AromaticContact NE2-CG 3.73Å
141V98.1Very high97.9Very high44 Ų4437 Ų3727%0.26717%0.174SC..Hα-helixtrans-62.6-44.8-172.3173.80000112.1L79 R137 A138 A145 Y178L79-V141 HydrophobicContact CB-CG1 3.95Å; L79-V141 HydrophobicContact CD1-CB 3.89Å; L79-V141 HydrophobicContact CD1-CG1 3.83Å; L79-V141 HydrophobicContact CD1-CG2 4.27Å; L79-V141 HydrophobicContact CG-CG1 4.41Å; R137-V141 WeakPolarHBondContact O-CG2 3.46Å; R137-V141 PolarHBondContact O-N 3.34Å; A138-V141 PolarHBondContact O-N 3.21Å; V141-A145 WeakPolarHBondContact O-CB 3.08Å; V141-A145 PolarHBondContact O-N 3.17Å; V141-Y178 HydrophobicContact CG2-CE2 4.19Å
142F98.4Very high98Very high1 Ų133.4 Ų33.40%0.00416%0.159CC..Hα-helixtrans-69.8-42.5179.1-73.4-62.8000112.4F66 L79 Q83 F90 I93 L94 V97 A138 H140 A145 Y146F66-F142 HydrophobicContact CD2-CE2 4.1Å; F66-F142 HydrophobicContact CD2-CZ 4.05Å; F66-F142 AromaticContact CE2-CE2 3.56Å; F66-F142 HydrophobicContact CE2-CE2 3.56Å; F66-F142 AromaticContact CE2-CZ 3.92Å; F66-F142 HydrophobicContact CE2-CZ 3.92Å; L79-F142 HydrophobicContact CB-CE1 3.89Å; L79-F142 HydrophobicContact CB-CE2 4.2Å; L79-F142 HydrophobicContact CB-CZ 3.64Å; L79-F142 HydrophobicContact CD1-CE2 4.19Å; L79-F142 HydrophobicContact CD1-CZ 4.46Å; L79-F142 HydrophobicContact CD2-CE2 4.37Å; L79-F142 HydrophobicContact CD2-CZ 4.16Å; L79-F142 HydrophobicContact CG-CE2 4.49Å; L79-F142 HydrophobicContact CG-CZ 4.3Å; L79-F142 VanDerWaalsContact O-CE1 3.28Å; L79-F142 WeakPolarHBondContact O-CE1 3.41Å; Q83-F142 HydrophobicContact CB-CD1 4.28Å; Q83-F142 HydrophobicContact CB-CE1 3.58Å; Q83-F142 HydrophobicContact CB-CZ 4.42Å; Q83-F142 HydrophobicContact CG-CE1 4.39Å; F90-F142 HydrophobicContact CD1-CD1 4.46Å; F90-F142 WeakPolarHBondContact CD1-O 3.25Å; F90-F142 HydrophobicContact CE1-CD1 4.4Å; I93-F142 HydrophobicContact CG1-CD1 4.41Å; I93-F142 HydrophobicContact CG1-CE1 4.06Å; I93-F142 HydrophobicContact CG1-CE2 4.18Å; I93-F142 HydrophobicContact CG1-CZ 3.91Å; I93-F142 HydrophobicContact CG2-CB 4.1Å; I93-F142 HydrophobicContact CG2-CD1 3.61Å; I93-F142 HydrophobicContact CG2-CD2 4.27Å; I93-F142 HydrophobicContact CG2-CE1 4.06Å; I93-F142 HydrophobicContact CG2-CG 3.73Å; L94-F142 HydrophobicContact CD2-CB 3.88Å; L94-F142 HydrophobicContact CG-CB 4.22Å; V97-F142 HydrophobicContact CG2-CD2 3.67Å; V97-F142 HydrophobicContact CG2-CE2 4Å; A138-F142 HydrophobicContact CB-CD2 4.43Å; A138-F142 HydrophobicContact CB-CE2 4.49Å; A138-F142 WeakPolarHBondContact O-CD2 3.33Å; A138-F142 PolarHBondContact O-N 3.41Å; H140-F142 PolarHBondContact O-N 3.36Å; F142-A145 PolarHBondContact O-N 3.33Å; F142-Y146 WeakPolarHBondContact O-CB 3.15Å; F142-Y146 PolarHBondContact O-N 3.22Å
143S98.3Very high98Very high15 Ų1536 Ų3611%0.10518%0.178CC..Hα-helixtrans-69-35.2178.868.30000111.9R139 H140 Y146 R147R139-S143 WeakPolarHBondContact O-CB 3.42Å; R139-S143 PolarHBondContact O-N 2.99Å; R139-S143 PolarHBondContact O-OG 3.09Å; H140-S143 PolarHBondContact O-N 2.9Å; H140-S143 PolarHBondContact O-OG 2.84Å; S143-Y146 PolarHBondContact O-N 3.49Å; S143-R147 VanDerWaalsContact CB-NH1 3.31Å; S143-R147 WeakPolarHBondContact O-CB 3.44Å; S143-R147 WeakPolarHBondContact O-CG 3.36Å; S143-R147 PolarHBondContact O-N 3.42Å; S143-R147 PolarHBondContact OG-NH1 2.64Å; S143-R147 PolarHBondContact OG-NH2 3.05Å; S143-R147 VanDerWaalsContact OG-NH2 3.16Å
144E98.4Very high98Very high37 Ų3733.6 Ų33.617%0.17317%0.167CC..Hα-helixtrans-67.9-44.8176-168.874.416400110.9H140 Y146 R147 V148 S170 R201H140-E144 WeakPolarHBondContact O-CB 3.5Å; H140-E144 PolarHBondContact O-N 2.67Å; E144-Y146 VanDerWaalsContact C-N 3.27Å; E144-Y146 PolarHBondContact O-N 3.42Å; E144-R147 PolarHBondContact O-N 3.26Å; E144-R147 IonicContact OE2-CZ 3.42Å; E144-R147 IonicContact OE2-NE 2.7Å; E144-R147 PolarHBondContact OE2-NE 3.34Å; E144-R147 IonicContact OE2-NH2 3.24Å; E144-R147 PolarHBondContact OE2-NH2 3.06Å; E144-V148 WeakPolarHBondContact O-CG2 3.29Å; E144-V148 PolarHBondContact O-N 3.19Å; E144-S170 PolarHBondContact OE1-OG 3.32Å; E144-S170 VanDerWaalsContact OE2-CB 3.3Å; E144-S170 WeakPolarHBondContact OE2-CB 3.48Å; E144-S170 PolarHBondContact OE2-OG 2.85Å; E144-R201 IonicContact OE1-CZ 3.5Å; E144-R201 IonicContact OE1-NH2 2.74Å; E144-R201 PolarHBondContact OE1-NH2 3.32Å
145A96.9Very high98Very high23 Ų2333.8 Ų33.819%0.1917%0.169CC..Hα-helixtrans-58.2-41.1174.700000111.9F90 V141 F142 V148F90-A145 HydrophobicContact CE1-CB 3.71Å; F90-A145 HydrophobicContact CZ-CB 3.89Å; V141-A145 WeakPolarHBondContact O-CB 3.08Å; V141-A145 PolarHBondContact O-N 3.17Å; F142-A145 PolarHBondContact O-N 3.33Å; A145-V148 PolarHBondContact O-N 3Å
146Y97.5Very high97.9Very high58 Ų5835 Ų3523%0.22719%0.191CC..Hα-helixtrans-67.3-42.6175.5-172.8-143.7000112.3F90 K91 F142 S143 E144 V148 E149 Q150F90-Y146 HydrophobicContact CB-CD1 4.21Å; F90-Y146 HydrophobicContact CB-CD2 3.93Å; F90-Y146 HydrophobicContact CB-CG 3.76Å; F90-Y146 AromaticContact CD2-CD2 3.66Å; F90-Y146 HydrophobicContact CD2-CD2 3.66Å; F90-Y146 HydrophobicContact CD2-CG 4.09Å; F90-Y146 HydrophobicContact CE2-CD2 4.48Å; F90-Y146 AromaticContact CG-CD2 3.98Å; F90-Y146 HydrophobicContact CG-CD2 3.98Å; F90-Y146 AromaticContact CG-CG 3.95Å; F90-Y146 HydrophobicContact CG-CG 3.95Å; K91-Y146 WeakPolarHBondContact CE-OH 3.23Å; F142-Y146 WeakPolarHBondContact O-CB 3.15Å; F142-Y146 PolarHBondContact O-N 3.22Å; S143-Y146 PolarHBondContact O-N 3.49Å; E144-Y146 VanDerWaalsContact C-N 3.27Å; E144-Y146 PolarHBondContact O-N 3.42Å; Y146-V148 PolarHBondContact O-N 3.23Å; Y146-E149 WeakPolarHBondContact O-CB 3.26Å; Y146-E149 PolarHBondContact O-N 3.1Å; Y146-Q150 HydrophobicContact CD2-CG 4.3Å; Y146-Q150 HydrophobicContact CE1-CG 4.5Å; Y146-Q150 HydrophobicContact CE2-CG 4.08Å; Y146-Q150 WeakPolarHBondContact O-CG 3.47Å; Y146-Q150 PolarHBondContact O-N 3.02Å
147R98.4Very high97.8Very high25 Ų2540.4 Ų40.49%0.09422%0.216CC..Hα-helixtrans-57.3-33.6175.5-80.8-172.6-69.5-860.2112.4S143 E144 Q150 F151 L166 S173S143-R147 VanDerWaalsContact CB-NH1 3.31Å; S143-R147 WeakPolarHBondContact O-CB 3.44Å; S143-R147 WeakPolarHBondContact O-CG 3.36Å; S143-R147 PolarHBondContact O-N 3.42Å; S143-R147 PolarHBondContact OG-NH1 2.64Å; S143-R147 PolarHBondContact OG-NH2 3.05Å; S143-R147 VanDerWaalsContact OG-NH2 3.16Å; E144-R147 PolarHBondContact O-N 3.26Å; E144-R147 IonicContact OE2-CZ 3.42Å; E144-R147 IonicContact OE2-NE 2.7Å; E144-R147 PolarHBondContact OE2-NE 3.34Å; E144-R147 IonicContact OE2-NH2 3.24Å; E144-R147 PolarHBondContact OE2-NH2 3.06Å; R147-Q150 PolarHBondContact O-N 2.86Å; R147-F151 VanDerWaalsContact O-CB 3.29Å; R147-F151 WeakPolarHBondContact O-CB 3.42Å; R147-F151 PolarHBondContact O-N 3Å; R147-L166 HydrophobicContact CB-CD2 4.43Å; R147-L166 HydrophobicContact CG-CD2 3.98Å; R147-S173 PolarHBondContact NH2-OG 3.34Å
148V97.6Very high97.8Very high58 Ų5847.6 Ų47.635%0.35225%0.247SC..Hα-helixtrans-65.7-39.4175.8-174.90000112E144 A145 Y146 Q150 F151 E152E144-V148 WeakPolarHBondContact O-CG2 3.29Å; E144-V148 PolarHBondContact O-N 3.19Å; A145-V148 PolarHBondContact O-N 3Å; Y146-V148 PolarHBondContact O-N 3.23Å; V148-Q150 VanDerWaalsContact C-N 3.34Å; V148-F151 PolarHBondContact O-N 3.38Å; V148-E152 PolarHBondContact O-N 2.79Å
149E96.2Very high97.8Very high76 Ų7650.6 Ų50.636%0.35526%0.263SS..Hα-helixtrans-66.8-38.8175.3-63.2-178.2176.600111.4F90 Y146 S153F90-E149 WeakPolarHBondContact CE2-OE1 3.45Å; F90-E149 WeakPolarHBondContact CE2-OE2 3.44Å; Y146-E149 WeakPolarHBondContact O-CB 3.26Å; Y146-E149 PolarHBondContact O-N 3.1Å; E149-S153 PolarHBondContact O-N 3.2Å; E149-S153 VanDerWaalsContact O-N 3.1Å
150Q98.3Very high97.7Very high53 Ų5348 Ų4825%0.24825%0.254CS..Hα-helixtrans-65.4-41.1174.7-63.3175.8-70.200111.6Y146 R147 V148 S153 A154 L166Y146-Q150 HydrophobicContact CD2-CG 4.3Å; Y146-Q150 HydrophobicContact CE1-CG 4.5Å; Y146-Q150 HydrophobicContact CE2-CG 4.08Å; Y146-Q150 WeakPolarHBondContact O-CG 3.47Å; Y146-Q150 PolarHBondContact O-N 3.02Å; R147-Q150 PolarHBondContact O-N 2.86Å; V148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-S153 WeakPolarHBondContact O-CB 3.49Å; Q150-S153 PolarHBondContact O-N 2.58Å; Q150-A154 WeakPolarHBondContact O-CB 3.4Å; Q150-A154 PolarHBondContact O-N 3.41Å; Q150-L166 HydrophobicContact CB-CD1 3.8Å; Q150-L166 HydrophobicContact CB-CD2 3.86Å
151F98.4Very high97.7Very high47 Ų4752.9 Ų52.921%0.20628%0.277CS..Hα-helixtrans-66-42179.2-168-84.8000111.2F35 R147 V148 S153 A154 C155 M163 L166 M167F35-F151 HydrophobicContact CZ-CZ 4.25Å; R147-F151 VanDerWaalsContact O-CB 3.29Å; R147-F151 WeakPolarHBondContact O-CB 3.42Å; R147-F151 PolarHBondContact O-N 3Å; V148-F151 PolarHBondContact O-N 3.38Å; F151-S153 VanDerWaalsContact C-N 3.3Å; F151-S153 PolarHBondContact O-N 2.92Å; F151-A154 PolarHBondContact O-N 3.47Å; F151-C155 WeakPolarHBondContact CE1-SG 3.48Å; F151-C155 PolarHBondContact O-N 3.41Å; F151-C155 PolarHBondContact O-SG 2.94Å; F151-M163 HydrophobicContact CD2-CB 4.15Å; F151-M163 HydrophobicContact CD2-CG 4.24Å; F151-M163 HydrophobicContact CE1-CE 4Å; F151-M163 HydrophobicContact CE2-CB 3.58Å; F151-M163 HydrophobicContact CE2-CE 4.24Å; F151-M163 HydrophobicContact CE2-CG 3.89Å; F151-M163 HydrophobicContact CZ-CB 4.06Å; F151-M163 HydrophobicContact CZ-CE 3.54Å; F151-M163 HydrophobicContact CZ-CG 4.06Å; F151-L166 HydrophobicContact CB-CD1 4.1Å; F151-L166 HydrophobicContact CD2-CB 4.3Å; F151-L166 HydrophobicContact CD2-CD1 4.38Å; F151-M167 HydrophobicContact CE2-CG 3.93Å; F151-M167 HydrophobicContact CE2-SD 4.12Å
152E97.5Very high97.7Very high46 Ų4653.2 Ų53.222%0.21528%0.276CS..Hα-helixtrans-58.6-43.3172.8-177.1176.6-179.100111.5K25 I27 V148 C155 A156K25-E152 IonicContact NZ-OE1 3.67Å; K25-E152 PolarHBondContact NZ-OE1 3.41Å; I27-E152 HydrophobicContact CD1-CG 3.9Å; I27-E152 WeakPolarHBondContact CD1-OE1 3.21Å; V148-E152 PolarHBondContact O-N 2.79Å; E152-C155 PolarHBondContact O-N 3.34Å; E152-A156 PolarHBondContact O-N 3.39Å; E152-A156 VanDerWaalsContact O-N 3.08Å
153S97.9Very high97.7Very high56 Ų5653.2 Ų53.239%0.39228%0.276SS..Hα-helixtrans-62.8-42.3175.1-164.40000112.2E149 Q150 F151 C155 A156 Q157E149-S153 PolarHBondContact O-N 3.2Å; E149-S153 VanDerWaalsContact O-N 3.1Å; Q150-S153 WeakPolarHBondContact O-CB 3.49Å; Q150-S153 PolarHBondContact O-N 2.58Å; F151-S153 VanDerWaalsContact C-N 3.3Å; F151-S153 PolarHBondContact O-N 2.92Å; S153-C155 PolarHBondContact O-N 3.35Å; S153-A156 PolarHBondContact O-N 3.27Å; S153-Q157 WeakPolarHBondContact O-CG 3.39Å; S153-Q157 PolarHBondContact O-N 2.96Å; S153-Q157 PolarHBondContact OG-NE2 3.32Å
154A98.2Very high97.7Very high1 Ų152.5 Ų52.51%0.00827%0.271CS..Hα-helixtrans-63.8-38.9176.900000112.2Q150 F151 Q157 K158 N159 E162 M163 L166Q150-A154 WeakPolarHBondContact O-CB 3.4Å; Q150-A154 PolarHBondContact O-N 3.41Å; F151-A154 PolarHBondContact O-N 3.47Å; A154-Q157 CarbonylContact O-C 3.59Å; A154-Q157 PolarHBondContact O-N 3.02Å; A154-K158 PolarHBondContact O-N 3.16Å; A154-N159 PolarHBondContact O-N 3.49Å; A154-E162 HydrophobicContact CB-CB 4.11Å; A154-E162 HydrophobicContact CB-CG 3.85Å; A154-M163 HydrophobicContact CB-CG 3.74Å; A154-L166 HydrophobicContact CB-CD1 4.45Å
155C96.9Very high97.7Very high5 Ų555 Ų553%0.03428%0.279CS..Hα-helixtrans-60.2-46.8171.8-65.90000111.5I27 F151 E152 S153 Q157 K158I27-C155 HydrophobicContact CG2-CB 3.95Å; F151-C155 WeakPolarHBondContact CE1-SG 3.48Å; F151-C155 PolarHBondContact O-N 3.41Å; F151-C155 PolarHBondContact O-SG 2.94Å; E152-C155 PolarHBondContact O-N 3.34Å; S153-C155 PolarHBondContact O-N 3.35Å; C155-Q157 PolarHBondContact O-N 3.06Å; C155-K158 PolarHBondContact O-N 3.36Å
156A96.5Very high97.8Very high86 Ų8654.1 Ų54.171%0.71127%0.271SS*.Hα-helixtrans-62.2-32.6178.500000112.7E152 S153 K158E152-A156 PolarHBondContact O-N 3.39Å; E152-A156 VanDerWaalsContact O-N 3.08Å; S153-A156 PolarHBondContact O-N 3.27Å; A156-K158 VanDerWaalsContact C-N 3.33Å
157Q97.6Very high97.9Very high127 Ų12751.8 Ų51.859%0.59326%0.262SS*.THydrogen-bonded Turntrans-85.5-3.1176.6-66.6172.316.800113.7S153 A154 C155 N159S153-Q157 WeakPolarHBondContact O-CG 3.39Å; S153-Q157 PolarHBondContact O-N 2.96Å; S153-Q157 PolarHBondContact OG-NE2 3.32Å; A154-Q157 CarbonylContact O-C 3.59Å; A154-Q157 PolarHBondContact O-N 3.02Å; C155-Q157 PolarHBondContact O-N 3.06Å; Q157-N159 HydrophobicContact CB-CB 4.35Å; Q157-N159 PolarHBondContact O-N 3.22Å
158K97.1Very high97.9Very high155 Ų15553 Ų5367%0.67427%0.27SS*.THydrogen-bonded Turntrans54.633.2-172.7-53.8179.3-178.3-179.50113.8P30 A154 C155 A156 I160P30-K158 HydrophobicContact CB-CB 4.23Å; P30-K158 HydrophobicContact CB-CG 4.46Å; P30-K158 HydrophobicContact CG-CB 4.22Å; P30-K158 HydrophobicContact CG-CG 4.46Å; A154-K158 PolarHBondContact O-N 3.16Å; C155-K158 PolarHBondContact O-N 3.36Å; A156-K158 VanDerWaalsContact C-N 3.33Å; K158-I160 PolarHBondContact O-N 2.98Å
159N97.8Very high98Very high62 Ų6253.8 Ų53.833%0.33227%0.27SS..  trans-9583.6-177.8-171.6-14000110.7A154 Q157 Q161 E162 M163A154-N159 PolarHBondContact O-N 3.49Å; Q157-N159 HydrophobicContact CB-CB 4.35Å; Q157-N159 PolarHBondContact O-N 3.22Å; N159-Q161 PolarHBondContact O-N 2.91Å; N159-Q161 PolarHBondContact OD1-N 3.17Å; N159-E162 HydrophobicContact CB-CB 4.09Å; N159-E162 VanDerWaalsContact CG-CB 3.45Å; N159-E162 PolarHBondContact O-N 2.99Å; N159-E162 PolarHBondContact OD1-N 2.79Å; N159-M163 WeakPolarHBondContact O-CG 3.3Å; N159-M163 PolarHBondContact O-N 2.91Å
160I97.4Very high98.1Very high17 Ų1750.4 Ų50.49%0.08726%0.255CS..Hα-helixtrans-66.7-25.8-177.865.6172.3000113.2P30 A33 K158 M163 G164 L198 A216P30-I160 HydrophobicContact CB-CG2 3.8Å; P30-I160 HydrophobicContact CG-CG2 3.98Å; A33-I160 HydrophobicContact CB-CG2 3.82Å; K158-I160 PolarHBondContact O-N 2.98Å; I160-M163 HydrophobicContact CG2-SD 4.28Å; I160-M163 PolarHBondContact O-N 3.03Å; I160-G164 PolarHBondContact O-N 2.88Å; I160-L198 HydrophobicContact CB-CD1 4.02Å; I160-L198 HydrophobicContact CD1-CD1 3.6Å; I160-L198 HydrophobicContact CG1-CD1 3.68Å; I160-A216 HydrophobicContact CD1-CB 4.35Å
161Q98.1Very high98.1Very high119 Ų11948.9 Ų48.956%0.55625%0.248SC*.Hα-helixtrans-67.2-44.6175-66.7-65.2-21.100110.7N159 G164 R165 L198N159-Q161 PolarHBondContact O-N 2.91Å; N159-Q161 PolarHBondContact OD1-N 3.17Å; Q161-G164 PolarHBondContact O-N 3.06Å; Q161-R165 PolarHBondContact O-N 3.16Å; Q161-L198 VanDerWaalsContact NE2-CD2 3.33Å
162E98.6Very high98.1Very high51 Ų5155.1 Ų55.124%0.23827%0.27CS..Hα-helixtrans-66.7-39.6175.4179.461.8-175.200111.8A154 N159 G164 R165 L166A154-E162 HydrophobicContact CB-CB 4.11Å; A154-E162 HydrophobicContact CB-CG 3.85Å; N159-E162 HydrophobicContact CB-CB 4.09Å; N159-E162 VanDerWaalsContact CG-CB 3.45Å; N159-E162 PolarHBondContact O-N 2.99Å; N159-E162 PolarHBondContact OD1-N 2.79Å; E162-G164 VanDerWaalsContact C-N 3.3Å; E162-G164 PolarHBondContact O-N 3.16Å; E162-R165 PolarHBondContact O-N 3.11Å; E162-R165 IonicContact OE1-CZ 3.2Å; E162-R165 IonicContact OE1-NE 3.98Å; E162-R165 IonicContact OE1-NH2 3.68Å; E162-R165 PolarHBondContact OE1-NH2 2.6Å; E162-R165 IonicContact OE2-CZ 2.64Å; E162-R165 IonicContact OE2-NE 2.67Å; E162-R165 PolarHBondContact OE2-NE 3.03Å; E162-R165 IonicContact OE2-NH2 3.05Å; E162-L166 HydrophobicContact CG-CD1 4.03Å; E162-L166 HydrophobicContact CG-CG 4.45Å; E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 VanDerWaalsContact O-CG 3.23Å; E162-L166 WeakPolarHBondContact O-CG 3.48Å; E162-L166 PolarHBondContact O-N 3.43Å
163M98.6Very high98.2Very high0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-55.9-46171.7-69.3167.758.900111.3L29 P30 A33 F35 F151 A154 N159 I160 L166 M167 L214L29-M163 HydrophobicContact CD2-CE 4.17Å; P30-M163 HydrophobicContact CG-SD 3.85Å; A33-M163 HydrophobicContact CB-CE 4.19Å; F35-M163 HydrophobicContact CZ-CE 3.94Å; F151-M163 HydrophobicContact CD2-CB 4.15Å; F151-M163 HydrophobicContact CD2-CG 4.24Å; F151-M163 HydrophobicContact CE1-CE 4Å; F151-M163 HydrophobicContact CE2-CB 3.58Å; F151-M163 HydrophobicContact CE2-CE 4.24Å; F151-M163 HydrophobicContact CE2-CG 3.89Å; F151-M163 HydrophobicContact CZ-CB 4.06Å; F151-M163 HydrophobicContact CZ-CE 3.54Å; F151-M163 HydrophobicContact CZ-CG 4.06Å; A154-M163 HydrophobicContact CB-CG 3.74Å; N159-M163 WeakPolarHBondContact O-CG 3.3Å; N159-M163 PolarHBondContact O-N 2.91Å; I160-M163 HydrophobicContact CG2-SD 4.28Å; I160-M163 PolarHBondContact O-N 3.03Å; M163-L166 PolarHBondContact O-N 2.86Å; M163-M167 WeakPolarHBondContact O-CG 3.33Å; M163-M167 PolarHBondContact O-N 3.39Å; M163-L214 HydrophobicContact CB-CD2 3.58Å; M163-L214 HydrophobicContact CE-CD2 4.3Å
164G98.6Very high98.2Very high0 Ų050.7 Ų50.70%024%0.244CC..Hα-helixtrans-63.3-46.5177.900000113I160 Q161 E162 L166 M167 N168 L198 G199I160-G164 PolarHBondContact O-N 2.88Å; Q161-G164 PolarHBondContact O-N 3.06Å; E162-G164 VanDerWaalsContact C-N 3.3Å; E162-G164 PolarHBondContact O-N 3.16Å; G164-L166 VanDerWaalsContact C-N 3.34Å; G164-L166 PolarHBondContact O-N 3.36Å; G164-M167 WeakPolarHBondContact O-CB 3.42Å; G164-M167 PolarHBondContact O-N 3.36Å; G164-N168 PolarHBondContact O-N 3.39Å; G164-N168 PolarHBondContact O-ND2 2.96Å; G164-L198 CarbonylContact C-O 3.44Å; G164-L198 VanDerWaalsContact C-O 3.31Å; G164-L198 VanDerWaalsContact CA-O 3.26Å; G164-L198 WeakPolarHBondContact CA-O 3.44Å; G164-G199 WeakPolarHBondContact O-CA 3.46Å
165R98.8Very high98.2Very high91 Ų9152 Ų5234%0.34326%0.255SS..Hα-helixtrans-55.7-47.4174.8-168-169.269.770.812.5111.5Q161 E162 M167 N168 E169Q161-R165 PolarHBondContact O-N 3.16Å; E162-R165 PolarHBondContact O-N 3.11Å; E162-R165 IonicContact OE1-CZ 3.2Å; E162-R165 IonicContact OE1-NE 3.98Å; E162-R165 IonicContact OE1-NH2 3.68Å; E162-R165 PolarHBondContact OE1-NH2 2.6Å; E162-R165 IonicContact OE2-CZ 2.64Å; E162-R165 IonicContact OE2-NE 2.67Å; E162-R165 PolarHBondContact OE2-NE 3.03Å; E162-R165 IonicContact OE2-NH2 3.05Å; R165-M167 PolarHBondContact O-N 3.44Å; R165-N168 PolarHBondContact O-N 3.49Å; R165-E169 IonicContact CZ-OE1 3.13Å; R165-E169 IonicContact CZ-OE2 3.03Å; R165-E169 IonicContact NH1-OE1 2.78Å; R165-E169 PolarHBondContact NH1-OE1 3.14Å; R165-E169 IonicContact NH1-OE2 3.48Å; R165-E169 PolarHBondContact NH1-OE2 3.32Å; R165-E169 IonicContact NH2-OE2 3.44Å; R165-E169 WeakPolarHBondContact O-CG 3.34Å; R165-E169 PolarHBondContact O-N 2.54Å
166L98.9Very high98.2Very high4 Ų456.4 Ų56.42%0.02128%0.277CS..Hα-helixtrans-64.1-37.4178.6-70.2167.2000112.4R147 Q150 F151 A154 E162 M163 G164 E169 S170R147-L166 HydrophobicContact CB-CD2 4.43Å; R147-L166 HydrophobicContact CG-CD2 3.98Å; Q150-L166 HydrophobicContact CB-CD1 3.8Å; Q150-L166 HydrophobicContact CB-CD2 3.86Å; F151-L166 HydrophobicContact CB-CD1 4.1Å; F151-L166 HydrophobicContact CD2-CB 4.3Å; F151-L166 HydrophobicContact CD2-CD1 4.38Å; A154-L166 HydrophobicContact CB-CD1 4.45Å; E162-L166 HydrophobicContact CG-CD1 4.03Å; E162-L166 HydrophobicContact CG-CG 4.45Å; E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 VanDerWaalsContact O-CG 3.23Å; E162-L166 WeakPolarHBondContact O-CG 3.48Å; E162-L166 PolarHBondContact O-N 3.43Å; M163-L166 PolarHBondContact O-N 2.86Å; G164-L166 VanDerWaalsContact C-N 3.34Å; G164-L166 PolarHBondContact O-N 3.36Å; L166-E169 PolarHBondContact O-N 3.48Å; L166-S170 WeakPolarHBondContact O-CB 3.28Å; L166-S170 PolarHBondContact O-N 2.89Å
167M98.8Very high98.3Very high9 Ų953.1 Ų53.14%0.04425%0.248CC..Hα-helixtrans-63.7-44.1174-73.9173.161.400111.7F35 F151 M163 G164 R165 S170 H171 R201 V212 L214F35-M167 HydrophobicContact CE1-CE 4.42Å; F35-M167 HydrophobicContact CE1-SD 4.06Å; F151-M167 HydrophobicContact CE2-CG 3.93Å; F151-M167 HydrophobicContact CE2-SD 4.12Å; M163-M167 WeakPolarHBondContact O-CG 3.33Å; M163-M167 PolarHBondContact O-N 3.39Å; G164-M167 WeakPolarHBondContact O-CB 3.42Å; G164-M167 PolarHBondContact O-N 3.36Å; R165-M167 PolarHBondContact O-N 3.44Å; M167-S170 WeakPolarHBondContact O-CB 3.32Å; M167-S170 PolarHBondContact O-N 2.72Å; M167-H171 PolarHBondContact O-N 2.98Å; M167-R201 HydrophobicContact CB-CG 4.45Å; M167-R201 HydrophobicContact CE-CG 4.27Å; M167-V212 HydrophobicContact CE-CG1 4.18Å; M167-V212 WeakPolarHBondContact CE-O 3.4Å; M167-L214 HydrophobicContact CE-CB 3.84Å; M167-L214 HydrophobicContact SD-CB 3.54Å; M167-L214 VanDerWaalsContact SD-CB 3.54Å; M167-L214 HydrophobicContact SD-CD2 4.02Å; M167-L214 HydrophobicContact SD-CG 4.4Å
168N98.8Very high98.3Very high49 Ų4949.4 Ų49.426%0.26223%0.229SC..Hα-helixtrans-63.9-41.3177.5-67.9-25.8000112G164 R165 S170 H171 R172 L198 G199 A200G164-N168 PolarHBondContact O-N 3.39Å; G164-N168 PolarHBondContact O-ND2 2.96Å; R165-N168 PolarHBondContact O-N 3.49Å; N168-S170 VanDerWaalsContact C-N 3.33Å; N168-H171 PolarHBondContact O-N 3.15Å; N168-R172 WeakPolarHBondContact O-CB 3.26Å; N168-R172 PolarHBondContact O-N 3.21Å; N168-L198 PolarHBondContact ND2-O 3.08Å; N168-L198 VanDerWaalsContact ND2-O 3.16Å; N168-G199 WeakPolarHBondContact OD1-CA 3.48Å; N168-A200 PolarHBondContact OD1-N 3.04Å; N168-A200 PolarHBondContact OD1-O 3.44Å
169E98.8Very high98.3Very high76 Ų7645.3 Ų45.336%0.35521%0.212SC..Hα-helixtrans-64.1-39.2174.7-73.4-173.515600112.5R165 L166 R172 S173R165-E169 IonicContact CZ-OE1 3.13Å; R165-E169 IonicContact CZ-OE2 3.03Å; R165-E169 IonicContact NH1-OE1 2.78Å; R165-E169 PolarHBondContact NH1-OE1 3.14Å; R165-E169 IonicContact NH1-OE2 3.48Å; R165-E169 PolarHBondContact NH1-OE2 3.32Å; R165-E169 IonicContact NH2-OE2 3.44Å; R165-E169 WeakPolarHBondContact O-CG 3.34Å; R165-E169 PolarHBondContact O-N 2.54Å; L166-E169 PolarHBondContact O-N 3.48Å; E169-R172 PolarHBondContact O-N 2.8Å; E169-S173 WeakPolarHBondContact O-CB 3.4Å; E169-S173 PolarHBondContact O-N 3.45Å
170S98.8Very high98.2Very high5 Ų542.6 Ų42.64%0.03520%0.198CC..Hα-helixtrans-61.2-48.4173171.60000111.1E144 L166 M167 N168 R172 S173 C174 R201E144-S170 PolarHBondContact OE1-OG 3.32Å; E144-S170 VanDerWaalsContact OE2-CB 3.3Å; E144-S170 WeakPolarHBondContact OE2-CB 3.48Å; E144-S170 PolarHBondContact OE2-OG 2.85Å; L166-S170 WeakPolarHBondContact O-CB 3.28Å; L166-S170 PolarHBondContact O-N 2.89Å; M167-S170 WeakPolarHBondContact O-CB 3.32Å; M167-S170 PolarHBondContact O-N 2.72Å; N168-S170 VanDerWaalsContact C-N 3.33Å; S170-R172 PolarHBondContact O-N 3.04Å; S170-S173 PolarHBondContact O-N 3.29Å; S170-C174 PolarHBondContact O-N 2.89Å; S170-C174 PolarHBondContact O-SG 3.15Å; S170-C174 VanDerWaalsContact O-SG 3.34Å; S170-R201 VanDerWaalsContact OG-CZ 3.29Å; S170-R201 PolarHBondContact OG-NE 2.91Å; S170-R201 PolarHBondContact OG-NH2 3.26Å
171H98.8Very high98.2Very high20 Ų2042.6 Ų42.69%0.09320%0.199CC..Hα-helixtrans-58.5-47.3177.3-171.844.5000112.2M167 N168 S173 C174 A175 D186 A200 R201 L202M167-H171 PolarHBondContact O-N 2.98Å; N168-H171 PolarHBondContact O-N 3.15Å; H171-S173 VanDerWaalsContact C-N 3.31Å; H171-S173 PolarHBondContact O-N 3.08Å; H171-C174 WeakPolarHBondContact O-CB 3.11Å; H171-C174 PolarHBondContact O-N 3.42Å; H171-C174 VanDerWaalsContact O-N 3.15Å; H171-A175 PolarHBondContact O-N 3.1Å; H171-D186 IonicContact CE1-OD1 3.54Å; H171-D186 PolarHBondContact CE1-OD1 3.21Å; H171-D186 IonicContact NE2-OD1 3.5Å; H171-D186 PolarHBondContact NE2-OD1 3.02Å; H171-A200 WeakPolarHBondContact CB-O 3.42Å; H171-R201 HydrophobicContact CB-CB 3.61Å; H171-L202 PolarHBondContact ND1-N 3.25Å
172R98.6Very high98Very high178 Ų17838.1 Ų38.167%0.67218%0.181SC*.Hα-helixtrans-59-42.5177.3-176.6-179.9178.3-157.9-0.3111.7N168 E169 S170 A175 I176N168-R172 WeakPolarHBondContact O-CB 3.26Å; N168-R172 PolarHBondContact O-N 3.21Å; E169-R172 PolarHBondContact O-N 2.8Å; S170-R172 PolarHBondContact O-N 3.04Å; R172-A175 PolarHBondContact O-N 3.27Å; R172-I176 HydrophobicContact CG-CD1 3.67Å; R172-I176 HydrophobicContact CG-CG1 4.4Å; R172-I176 WeakPolarHBondContact O-CB 3.33Å; R172-I176 WeakPolarHBondContact O-CG1 3.39Å; R172-I176 PolarHBondContact O-N 3.31Å
173S98.7Very high97.8Very high5 Ų543.4 Ų43.44%0.03520%0.198CC..Hα-helixtrans-67.3-39.9176.5-1700000111.5H140 R147 E169 S170 H171 A175 D177 Y178H140-S173 PolarHBondContact ND1-OG 2.68Å; R147-S173 PolarHBondContact NH2-OG 3.34Å; E169-S173 WeakPolarHBondContact O-CB 3.4Å; E169-S173 PolarHBondContact O-N 3.45Å; S170-S173 PolarHBondContact O-N 3.29Å; H171-S173 VanDerWaalsContact C-N 3.31Å; H171-S173 PolarHBondContact O-N 3.08Å; S173-A175 VanDerWaalsContact C-N 3.32Å; S173-A175 PolarHBondContact O-N 3.37Å; S173-D177 CarbonylContact O-C 3.5Å; S173-D177 WeakPolarHBondContact O-CA 3.27Å; S173-D177 VanDerWaalsContact O-CB 3.25Å; S173-D177 WeakPolarHBondContact O-CB 3.48Å; S173-D177 PolarHBondContact O-N 3.26Å; S173-D177 PolarHBondContact OG-OD2 2.93Å; S173-Y178 PolarHBondContact O-N 2.89Å
174C98.4Very high97.7Very high4 Ų446.1 Ų46.13%0.02721%0.211CC..Hα-helixtrans-59.7-41.1172.3-70.90000112.4H140 S170 H171 Y178 E179 C180 L202H140-C174 VanDerWaalsContact CE1-SG 3.58Å; S170-C174 PolarHBondContact O-N 2.89Å; S170-C174 PolarHBondContact O-SG 3.15Å; S170-C174 VanDerWaalsContact O-SG 3.34Å; H171-C174 WeakPolarHBondContact O-CB 3.11Å; H171-C174 PolarHBondContact O-N 3.42Å; H171-C174 VanDerWaalsContact O-N 3.15Å; C174-Y178 CarbonylContact O-C 3.59Å; C174-E179 PolarHBondContact O-N 2.87Å; C174-C180 PolarHBondContact O-N 3.17Å; C174-L202 HydrophobicContact CB-CD1 4.31Å; C174-L202 HydrophobicContact CB-CD2 3.86Å; C174-L202 HydrophobicContact CB-CG 4.18Å
175A97.8Very high97.6Very high29 Ų2946.1 Ų46.124%0.2421%0.211CC..Hα-helixtrans-71.9-47.4-179.800000112.6H171 R172 S173 E179H171-A175 PolarHBondContact O-N 3.1Å; R172-A175 PolarHBondContact O-N 3.27Å; S173-A175 VanDerWaalsContact C-N 3.32Å; S173-A175 PolarHBondContact O-N 3.37Å; A175-E179 WeakPolarHBondContact O-CA 3.19Å
176I97.7Very high97.5Very high97 Ų9744.8 Ų44.850%0.49721%0.211SC..Hα-helixtrans-93-50.7-171.1-59.1176.6000112R172R172-I176 HydrophobicContact CG-CD1 3.67Å; R172-I176 HydrophobicContact CG-CG1 4.4Å; R172-I176 WeakPolarHBondContact O-CB 3.33Å; R172-I176 WeakPolarHBondContact O-CG1 3.39Å; R172-I176 PolarHBondContact O-N 3.31Å
177D97.9Very high97.4Very high18 Ų1849.9 Ų49.910%0.09623%0.234CC..THydrogen-bonded Turntrans-85.4-38.3-172-64.2-36.3000112.1P136 R137 R139 H140 S173P136-D177 CarbonylContact C-O 3.56Å; P136-D177 HydrophobicContact CB-CB 4.43Å; P136-D177 WeakPolarHBondContact CB-O 3.46Å; P136-D177 WeakPolarHBondContact O-CB 3.47Å; R137-D177 PolarHBondContact NH1-O 2.89Å; R139-D177 IonicContact CZ-OD1 3.5Å; R139-D177 IonicContact NE-OD1 4Å; R139-D177 PolarHBondContact NE-OD1 2.93Å; R139-D177 IonicContact NE-OD2 2.67Å; R139-D177 IonicContact NH2-OD1 2.94Å; R139-D177 PolarHBondContact NH2-OD1 2.77Å; H140-D177 HydrophobicContact CB-CB 3.81Å; S173-D177 CarbonylContact O-C 3.5Å; S173-D177 WeakPolarHBondContact O-CA 3.27Å; S173-D177 VanDerWaalsContact O-CB 3.25Å; S173-D177 WeakPolarHBondContact O-CB 3.48Å; S173-D177 PolarHBondContact O-N 3.26Å; S173-D177 PolarHBondContact OG-OD2 2.93Å
178Y97.8Very high97.3Very high49 Ų4950.3 Ų50.319%0.19224%0.237CC..SBendtrans-98.1-14.8-179.2-144.5-118.5000113.4R55 R137 H140 V141 S173 C174 C180R55-Y178 HydrophobicContact CB-CE1 4.05Å; R55-Y178 HydrophobicContact CB-CE2 4.23Å; R55-Y178 WeakPolarHBondContact CB-OH 3.34Å; R55-Y178 WeakPolarHBondContact CD-O 3.34Å; R55-Y178 HydrophobicContact CG-CD1 4.44Å; R55-Y178 HydrophobicContact CG-CE1 3.96Å; R55-Y178 PolarHBondContact NE-O 3.24Å; R137-Y178 PolarHBondContact NH1-O 3.22Å; H140-Y178 HydrophobicContact CB-CD2 3.8Å; H140-Y178 HydrophobicContact CB-CG 4.38Å; H140-Y178 AromaticContact CD2-CD2 3.08Å; H140-Y178 WeakPolarHBondContact CD2-CD2 3.39Å; H140-Y178 AromaticContact CD2-CE2 3.59Å; H140-Y178 AromaticContact CD2-CG 3.35Å; H140-Y178 AromaticContact CG-CD2 3.51Å; H140-Y178 AromaticContact CG-CG 3.75Å; H140-Y178 AromaticContact NE2-CD2 3.93Å; H140-Y178 AromaticContact NE2-CG 3.73Å; V141-Y178 HydrophobicContact CG2-CE2 4.19Å; S173-Y178 PolarHBondContact O-N 2.89Å; C174-Y178 CarbonylContact O-C 3.59Å; Y178-C180 HydrophobicContact CD1-CB 3.9Å; Y178-C180 PolarHBondContact O-N 3.25Å
179E97Very high97.2Very high69 Ų6948 Ų4832%0.32223%0.225SC..  trans4747-180-61173.2124.100112.1K133 R137 C174 A175 W207K133-E179 WeakPolarHBondContact CD-OE2 3.2Å; K133-E179 WeakPolarHBondContact CE-OE2 3.43Å; K133-E179 IonicContact NZ-OE1 3.05Å; K133-E179 PolarHBondContact NZ-OE1 2.75Å; K133-E179 IonicContact NZ-OE2 3.99Å; K133-E179 PolarHBondContact NZ-OE2 3.15Å; R137-E179 IonicContact CZ-OE2 3.95Å; R137-E179 VanDerWaalsContact CZ-OE2 3.24Å; R137-E179 IonicContact NH1-OE2 3.23Å; R137-E179 PolarHBondContact NH1-OE2 2.99Å; R137-E179 IonicContact NH2-OE2 3.96Å; R137-E179 PolarHBondContact NH2-OE2 3.35Å; C174-E179 PolarHBondContact O-N 2.87Å; A175-E179 WeakPolarHBondContact O-CA 3.19Å; E179-W207 PolarHBondContact O-NE1 2.81Å
180C95.7Very high97.2Very high5 Ų552.5 Ų52.53%0.03424%0.238CC..  trans-118.315178.377.50000112.9C174 Y178 L202 G206 W207C174-C180 PolarHBondContact O-N 3.17Å; Y178-C180 HydrophobicContact CD1-CB 3.9Å; Y178-C180 PolarHBondContact O-N 3.25Å; C180-L202 WeakPolarHBondContact O-CD2 3.22Å; C180-G206 CarbonylContact O-C 3.55Å; C180-G206 WeakPolarHBondContact O-CA 3.44Å; C180-W207 HydrophobicContact CB-CD2 4.14Å; C180-W207 HydrophobicContact CB-CE3 4.29Å; C180-W207 HydrophobicContact CB-CH2 3.79Å; C180-W207 HydrophobicContact CB-CZ2 3.59Å; C180-W207 HydrophobicContact CB-CZ3 4.13Å; C180-W207 PolarHBondContact O-N 3.46Å
181S96.3Very high97.1Very high16 Ų1655.3 Ų55.311%0.11225%0.252CS..  trans-89.9-177.8168.2-1550000111.2D186S181-D186 VanDerWaalsContact CB-OD1 3.28Å; S181-D186 WeakPolarHBondContact CB-OD1 3.47Å; S181-D186 PolarHBondContact OG-OD1 2.81Å
182C94.3Very high97Very high26 Ų2654.3 Ų54.318%0.17625%0.248CC..  trans-145.5166.9165.268.60000109.1E184 L185 D186C182-E184 VanDerWaalsContact C-N 3.27Å; C182-E184 PolarHBondContact O-N 2.98Å; C182-L185 PolarHBondContact O-N 2.77Å; C182-L185 VanDerWaalsContact O-N 3.1Å; C182-D186 VanDerWaalsContact O-CG 3.27Å; C182-D186 PolarHBondContact O-N 3.49Å
183R95.7Very high96.9Very high162 Ų16248.7 Ų48.761%0.61123%0.231SC*.Hα-helixtrans-53.4-45.8-179-179.9-17663.2158.24.3111.9L185 D186 E187R183-L185 VanDerWaalsContact C-N 3.32Å; R183-L185 PolarHBondContact O-N 2.79Å; R183-D186 PolarHBondContact O-N 2.75Å; R183-E187 WeakPolarHBondContact CD-OE1 3.28Å; R183-E187 HydrophobicContact CG-CG 4.25Å; R183-E187 VanDerWaalsContact CG-OE1 3.27Å; R183-E187 WeakPolarHBondContact CG-OE1 3.27Å; R183-E187 WeakPolarHBondContact O-CB 3.42Å; R183-E187 WeakPolarHBondContact O-CG 3.22Å; R183-E187 PolarHBondContact O-N 3.24Å
184E95.3Very high96.9Very high56 Ų5653.9 Ų53.926%0.26226%0.258SS..Hα-helixtrans-66.2-34.4-177.6-64.771.9-156.400112.1T42 C182 I188T42-E184 WeakPolarHBondContact OG1-CB 3.43Å; T42-E184 VanDerWaalsContact OG1-CG 3.28Å; T42-E184 WeakPolarHBondContact OG1-CG 3.35Å; C182-E184 VanDerWaalsContact C-N 3.27Å; C182-E184 PolarHBondContact O-N 2.98Å; E184-I188 WeakPolarHBondContact O-CB 3.13Å; E184-I188 WeakPolarHBondContact O-CG2 3.34Å; E184-I188 PolarHBondContact O-N 3.06Å
185L96.1Very high96.7Very high0 Ų056.3 Ų56.30%027%0.269CS..Hα-helixtrans-69.4-41.5172.7-82.1170.5000111.9C182 R183 I188 C189 L202 A211C182-L185 PolarHBondContact O-N 2.77Å; C182-L185 VanDerWaalsContact O-N 3.1Å; R183-L185 VanDerWaalsContact C-N 3.32Å; R183-L185 PolarHBondContact O-N 2.79Å; L185-I188 WeakPolarHBondContact O-CG2 3.34Å; L185-C189 WeakPolarHBondContact O-CB 3.42Å; L185-C189 PolarHBondContact O-N 2.87Å; L185-C189 PolarHBondContact O-SG 3.47Å; L185-L202 HydrophobicContact CD1-CB 3.82Å; L185-L202 HydrophobicContact CD1-CD2 4.08Å; L185-L202 HydrophobicContact CD2-CB 3.96Å; L185-L202 HydrophobicContact CG-CB 4.39Å; L185-A211 HydrophobicContact CD2-CB 4.36Å
186D97.8Very high96.6Very high64 Ų6456.5 Ų56.534%0.34227%0.274SS..Hα-helixtrans-66.7-42.3179.1-62.1-21.2000110.7H171 S181 C182 R183 R190H171-D186 IonicContact CE1-OD1 3.54Å; H171-D186 PolarHBondContact CE1-OD1 3.21Å; H171-D186 IonicContact NE2-OD1 3.5Å; H171-D186 PolarHBondContact NE2-OD1 3.02Å; S181-D186 VanDerWaalsContact CB-OD1 3.28Å; S181-D186 WeakPolarHBondContact CB-OD1 3.47Å; S181-D186 PolarHBondContact OG-OD1 2.81Å; C182-D186 VanDerWaalsContact O-CG 3.27Å; C182-D186 PolarHBondContact O-N 3.49Å; R183-D186 PolarHBondContact O-N 2.75Å; D186-R190 WeakPolarHBondContact O-CB 3.24Å; D186-R190 PolarHBondContact O-N 3.18Å
187E96.8Very high96.6Very high110 Ų11052.4 Ų52.451%0.51426%0.255SS..Hα-helixtrans-64-46.8176.9-76.1174.8-177.100111.8R183 R190 L191R183-E187 WeakPolarHBondContact CD-OE1 3.28Å; R183-E187 HydrophobicContact CG-CG 4.25Å; R183-E187 VanDerWaalsContact CG-OE1 3.27Å; R183-E187 WeakPolarHBondContact CG-OE1 3.27Å; R183-E187 WeakPolarHBondContact O-CB 3.42Å; R183-E187 WeakPolarHBondContact O-CG 3.22Å; R183-E187 PolarHBondContact O-N 3.24Å; E187-R190 PolarHBondContact O-N 3.16Å; E187-L191 WeakPolarHBondContact O-CB 3.48Å; E187-L191 PolarHBondContact O-N 3.1Å
188I95.9Very high96.6Very high19 Ų1952.9 Ų52.910%0.09726%0.257CS..Hα-helixtrans-68.2-37.5179.9-163.361.7000111.8V38 E184 L185 L191 Y192 A211V38-I188 HydrophobicContact CB-CG1 4.38Å; V38-I188 HydrophobicContact CG1-CG1 3.69Å; V38-I188 HydrophobicContact CG2-CD1 3.97Å; V38-I188 HydrophobicContact CG2-CG1 3.75Å; E184-I188 WeakPolarHBondContact O-CB 3.13Å; E184-I188 WeakPolarHBondContact O-CG2 3.34Å; E184-I188 PolarHBondContact O-N 3.06Å; L185-I188 WeakPolarHBondContact O-CG2 3.34Å; I188-L191 HydrophobicContact CD1-CD2 4.03Å; I188-L191 PolarHBondContact O-N 3.36Å; I188-Y192 HydrophobicContact CD1-CD2 4.24Å; I188-Y192 HydrophobicContact CD1-CE2 4.08Å; I188-Y192 HydrophobicContact CG1-CD2 4.25Å; I188-Y192 HydrophobicContact CG1-CE2 4.26Å; I188-Y192 WeakPolarHBondContact O-CD2 3.49Å; I188-Y192 PolarHBondContact O-N 2.85Å; I188-A211 HydrophobicContact CG2-CB 4.16Å
189C97.6Very high96.6Very high1 Ų150.6 Ų50.61%0.00725%0.248CC..Hα-helixtrans-63.5-46174.8-69.40000110.8L185 L191 Y192 L193 A200L185-C189 WeakPolarHBondContact O-CB 3.42Å; L185-C189 PolarHBondContact O-N 2.87Å; L185-C189 PolarHBondContact O-SG 3.47Å; C189-L191 PolarHBondContact O-N 3.15Å; C189-Y192 PolarHBondContact O-N 3.24Å; C189-L193 WeakPolarHBondContact O-CG 2.88Å; C189-L193 PolarHBondContact O-N 3.18Å; C189-L193 VanDerWaalsContact O-N 3.11Å; C189-A200 HydrophobicContact CB-CB 3.77Å
190R97.9Very high96.7Very high169 Ų16947.3 Ų47.364%0.63823%0.233SC*.Hα-helixtrans-61-44176.7-177.3176.4-179.4164.82.8112.1D186 E187 Y192 L193 D194D186-R190 WeakPolarHBondContact O-CB 3.24Å; D186-R190 PolarHBondContact O-N 3.18Å; E187-R190 PolarHBondContact O-N 3.16Å; R190-Y192 VanDerWaalsContact C-N 3.31Å; R190-Y192 PolarHBondContact O-N 2.83Å; R190-L193 PolarHBondContact O-N 3.04Å; R190-L193 VanDerWaalsContact O-N 3.16Å; R190-D194 IonicContact NE-OD2 2.69Å; R190-D194 PolarHBondContact O-N 2.78Å
191L96.4Very high96.8Very high64 Ų6449.4 Ų49.434%0.33524%0.24SC..Hα-helixtrans-55.5-47.6178.9179.661.1000111.4E187 I188 C189 D194 H195 L227E187-L191 WeakPolarHBondContact O-CB 3.48Å; E187-L191 PolarHBondContact O-N 3.1Å; I188-L191 HydrophobicContact CD1-CD2 4.03Å; I188-L191 PolarHBondContact O-N 3.36Å; C189-L191 PolarHBondContact O-N 3.15Å; L191-D194 PolarHBondContact O-N 2.82Å; L191-H195 VanDerWaalsContact CD1-CE1 3.44Å; L191-H195 WeakPolarHBondContact CD1-CE1 3.38Å; L191-H195 PolarHBondContact O-N 2.93Å; L191-H195 PolarHBondContact O-ND1 2.97Å; L191-L227 HydrophobicContact CD1-CD2 4.19Å; L191-L227 HydrophobicContact CD2-CD2 3.9Å; L191-L227 HydrophobicContact CG-CD1 4.1Å; L191-L227 HydrophobicContact CG-CD2 4Å
192Y97.1Very high96.9Very high0 Ų048.7 Ų48.70%024%0.235CC..Hα-helixtrans-66.3-38.7177.9-91-89.7000113.1V36 V38 I188 C189 R190 H195 G196 A197 V213 M215 V223 L227 P228V36-Y192 HydrophobicContact CB-CE1 4.49Å; V36-Y192 HydrophobicContact CG1-CE1 4.08Å; V38-Y192 HydrophobicContact CB-CE2 3.97Å; V38-Y192 HydrophobicContact CG1-CD2 4.27Å; V38-Y192 HydrophobicContact CG1-CE2 3.79Å; V38-Y192 HydrophobicContact CG2-CE2 4.02Å; I188-Y192 HydrophobicContact CD1-CD2 4.24Å; I188-Y192 HydrophobicContact CD1-CE2 4.08Å; I188-Y192 HydrophobicContact CG1-CD2 4.25Å; I188-Y192 HydrophobicContact CG1-CE2 4.26Å; I188-Y192 WeakPolarHBondContact O-CD2 3.49Å; I188-Y192 PolarHBondContact O-N 2.85Å; C189-Y192 PolarHBondContact O-N 3.24Å; R190-Y192 VanDerWaalsContact C-N 3.31Å; R190-Y192 PolarHBondContact O-N 2.83Å; Y192-H195 PolarHBondContact O-N 3.1Å; Y192-H195 VanDerWaalsContact O-N 3.17Å; Y192-G196 PolarHBondContact O-N 2.88Å; Y192-A197 WeakPolarHBondContact O-CB 3.37Å; Y192-A197 PolarHBondContact O-N 3.48Å; Y192-V213 HydrophobicContact CD1-CB 4.2Å; Y192-V213 HydrophobicContact CD1-CG1 3.7Å; Y192-V213 HydrophobicContact CD1-CG2 3.97Å; Y192-V213 HydrophobicContact CD2-CG2 4.1Å; Y192-V213 HydrophobicContact CE1-CG1 4.49Å; Y192-V213 HydrophobicContact CE1-CG2 4.42Å; Y192-V213 HydrophobicContact CG-CB 4.42Å; Y192-V213 HydrophobicContact CG-CG1 3.99Å; Y192-V213 HydrophobicContact CG-CG2 3.75Å; Y192-M215 HydrophobicContact CD1-SD 4.44Å; Y192-V223 HydrophobicContact CD1-CG1 4.15Å; Y192-V223 HydrophobicContact CE1-CG1 4.11Å; Y192-L227 HydrophobicContact CD1-CD1 4.1Å; Y192-L227 HydrophobicContact CD2-CD1 4.2Å; Y192-L227 HydrophobicContact CE1-CD1 4.19Å; Y192-L227 HydrophobicContact CE2-CB 4.41Å; Y192-L227 HydrophobicContact CE2-CD1 4.24Å; Y192-L227 HydrophobicContact CG-CD1 4.15Å; Y192-P228 PolarHBondContact OH-O 3.42Å
193L97.6Very high96.9Very high59 Ų5950.3 Ų50.331%0.30924%0.244SC..Hα-helixtrans-62.2-43.6174.9-68.8171.3000111.5C189 R190 H195 G196 A197 A200C189-L193 WeakPolarHBondContact O-CG 2.88Å; C189-L193 PolarHBondContact O-N 3.18Å; C189-L193 VanDerWaalsContact O-N 3.11Å; R190-L193 PolarHBondContact O-N 3.04Å; R190-L193 VanDerWaalsContact O-N 3.16Å; L193-H195 PolarHBondContact O-N 3.39Å; L193-H195 VanDerWaalsContact O-N 3.16Å; L193-G196 PolarHBondContact O-N 2.89Å; L193-A197 HydrophobicContact CD2-CB 4.28Å; L193-A197 WeakPolarHBondContact CD2-O 3.23Å; L193-A200 HydrophobicContact CD2-CB 4.32Å; L193-A200 HydrophobicContact CG-CB 4.1Å
194D96.8Very high96.8Very high114 Ų11445.5 Ų45.561%0.6125%0.245SC*.Hα-helixtrans-63.7-19.3177-69.4-18.2000112.3R190 L191R190-D194 IonicContact NE-OD2 2.69Å; R190-D194 PolarHBondContact O-N 2.78Å; L191-D194 PolarHBondContact O-N 2.82Å
195H95.8Very high96.5Very high55 Ų5544 Ų4426%0.25524%0.242SC..THydrogen-bonded Turntrans-98.56.6176.6-70.870.4000114.3L191 Y192 L193 R222 V223 E226 L227L191-H195 VanDerWaalsContact CD1-CE1 3.44Å; L191-H195 WeakPolarHBondContact CD1-CE1 3.38Å; L191-H195 PolarHBondContact O-N 2.93Å; L191-H195 PolarHBondContact O-ND1 2.97Å; Y192-H195 PolarHBondContact O-N 3.1Å; Y192-H195 VanDerWaalsContact O-N 3.17Å; L193-H195 PolarHBondContact O-N 3.39Å; L193-H195 VanDerWaalsContact O-N 3.16Å; H195-R222 PolarHBondContact O-NH2 2.92Å; H195-R222 VanDerWaalsContact O-NH2 3.15Å; H195-V223 HydrophobicContact CB-CG1 4.08Å; H195-V223 HydrophobicContact CB-CG2 4.18Å; H195-V223 WeakPolarHBondContact O-CG2 3.21Å; H195-E226 IonicContact CD2-OE2 2.69Å; H195-L227 HydrophobicContact CB-CD1 4.03Å
196G95.1Very high96.4Very high34 Ų3444.1 Ų44.135%0.35124%0.244SC..THydrogen-bonded Turntrans104.611.9173.700000115.2Y192 L193Y192-G196 PolarHBondContact O-N 2.88Å; L193-G196 PolarHBondContact O-N 2.89Å
197A97.3Very high96.2Very high11 Ų1142.9 Ų42.99%0.09123%0.234CC..  trans-63141.6169.400000111.5Y192 L193 V213 M215Y192-A197 WeakPolarHBondContact O-CB 3.37Å; Y192-A197 PolarHBondContact O-N 3.48Å; L193-A197 HydrophobicContact CD2-CB 4.28Å; L193-A197 WeakPolarHBondContact CD2-O 3.23Å; A197-V213 HydrophobicContact CB-CG1 3.34Å; A197-M215 HydrophobicContact CB-CG 4.09Å
198L98.2Very high95.9Very high28 Ų2837.8 Ų37.815%0.14721%0.211CC..SBendtrans-77.7-34176.6-56.4-177.4000111.3I160 Q161 G164 N168 L214I160-L198 HydrophobicContact CB-CD1 4.02Å; I160-L198 HydrophobicContact CD1-CD1 3.6Å; I160-L198 HydrophobicContact CG1-CD1 3.68Å; Q161-L198 VanDerWaalsContact NE2-CD2 3.33Å; G164-L198 CarbonylContact C-O 3.44Å; G164-L198 VanDerWaalsContact C-O 3.31Å; G164-L198 VanDerWaalsContact CA-O 3.26Å; G164-L198 WeakPolarHBondContact CA-O 3.44Å; N168-L198 PolarHBondContact ND2-O 3.08Å; N168-L198 VanDerWaalsContact ND2-O 3.16Å; L198-L214 HydrophobicContact CB-CD2 4.44Å; L198-L214 HydrophobicContact CB-CG 4.32Å; L198-L214 PolarHBondContact N-O 3.2Å
199G98.6Very high95.7Very high0 Ų037.8 Ų37.80%022%0.216CC..EExtended strand (participates in β ladder)trans-156.3146.4175.300000112.6G164 N168 V213 L214G164-G199 WeakPolarHBondContact O-CA 3.46Å; N168-G199 WeakPolarHBondContact OD1-CA 3.48Å; G199-V213 CarbonylContact O-C 3.5Å; G199-V213 WeakPolarHBondContact O-CA 3.48Å; G199-L214 PolarHBondContact N-O 2.81Å; G199-L214 PolarHBondContact O-N 3.01Å
200A98.3Very high95.6Very high0 Ų039.2 Ų39.20%023%0.226CC..EExtended strand (participates in β ladder)trans-141.3134.5175.800000110N168 H171 C189 L193 V213N168-A200 PolarHBondContact OD1-N 3.04Å; N168-A200 PolarHBondContact OD1-O 3.44Å; H171-A200 WeakPolarHBondContact CB-O 3.42Å; C189-A200 HydrophobicContact CB-CB 3.77Å; L193-A200 HydrophobicContact CD2-CB 4.32Å; L193-A200 HydrophobicContact CG-CB 4.1Å; A200-V213 HydrophobicContact CB-CG1 4.41Å; A200-V213 HydrophobicContact CB-CG2 4.07Å
201R98.6Very high95.5Very high49 Ų4931.1 Ų31.119%0.18520%0.195CC..EExtended strand (participates in β ladder)trans-149.315217767.1-179.9-64.3-83.59.1112.3E144 M167 S170 H171 A211 V212E144-R201 IonicContact OE1-CZ 3.5Å; E144-R201 IonicContact OE1-NH2 2.74Å; E144-R201 PolarHBondContact OE1-NH2 3.32Å; M167-R201 HydrophobicContact CB-CG 4.45Å; M167-R201 HydrophobicContact CE-CG 4.27Å; S170-R201 VanDerWaalsContact OG-CZ 3.29Å; S170-R201 PolarHBondContact OG-NE 2.91Å; S170-R201 PolarHBondContact OG-NH2 3.26Å; H171-R201 HydrophobicContact CB-CB 3.61Å; R201-A211 CarbonylContact O-C 3.45Å; R201-A211 WeakPolarHBondContact O-CA 3.32Å; R201-A211 WeakPolarHBondContact O-CB 3.44Å; R201-V212 HydrophobicContact CG-CG1 3.65Å; R201-V212 PolarHBondContact N-O 2.8Å; R201-V212 PolarHBondContact O-N 2.6Å
202L97.5Very high95.6Very high2 Ų229.3 Ų29.31%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-55.2150.9164.267.482.4000111.6H171 C174 C180 L185H171-L202 PolarHBondContact ND1-N 3.25Å; C174-L202 HydrophobicContact CB-CD1 4.31Å; C174-L202 HydrophobicContact CB-CD2 3.86Å; C174-L202 HydrophobicContact CB-CG 4.18Å; C180-L202 WeakPolarHBondContact O-CD2 3.22Å; L185-L202 HydrophobicContact CD1-CB 3.82Å; L185-L202 HydrophobicContact CD1-CD2 4.08Å; L185-L202 HydrophobicContact CD2-CB 3.96Å; L185-L202 HydrophobicContact CG-CB 4.39Å
203T95.4Very high95.6Very high60 Ų6029.3 Ų29.337%0.36819%0.187SC..EExtended strand (participates in β ladder)trans-130.3151173.1-1700000111.2C210T203-C210 HydrophobicContact CG2-CB 3.72Å; T203-C210 PolarHBondContact N-O 3.21Å
204G92.1Very high95.6Very high61 Ų6126.5 Ų26.563%0.62917%0.172SC*.THydrogen-bonded Turntrans78.1-147.8-169.900000112.6G206G204-G206 VanDerWaalsContact C-N 3.34Å; G204-G206 PolarHBondContact O-N 3.13Å
205A90.4Very high95.6Very high23 Ų2321.1 Ų21.119%0.1914%0.143CC..THydrogen-bonded Turntrans-74.1-23.7-171.900000113.8K46 W207K46-A205 HydrophobicContact CD-CB 4.33Å; A205-W207 VanDerWaalsContact O-CZ3 3.26Å; A205-W207 WeakPolarHBondContact O-CZ3 3.19Å
206G92.8Very high95.5Very high4 Ų419.5 Ų19.54%0.04114%0.139CC..  trans85.8-160.3-172.400000113.6L44 C180 G204 G208L44-G206 WeakPolarHBondContact CD2-O 3.48Å; C180-G206 CarbonylContact O-C 3.55Å; C180-G206 WeakPolarHBondContact O-CA 3.44Å; G204-G206 VanDerWaalsContact C-N 3.34Å; G204-G206 PolarHBondContact O-N 3.13Å; G206-G208 CarbonylContact C-O 3.42Å; G206-G208 PolarHBondContact O-N 3.36Å
207W92.9Very high95.3Very high37 Ų3719 Ų1914%0.1413%0.132CC..SBendtrans52.729.7-170.1-53.5-80000114L44 H51 R55 E179 C180 A205L44-W207 HydrophobicContact CD1-CB 3.68Å; L44-W207 HydrophobicContact CD2-CB 4.03Å; L44-W207 HydrophobicContact CD2-CE3 4.04Å; L44-W207 HydrophobicContact CG-CB 4.35Å; H51-W207 HydrophobicContact CB-CD2 4.49Å; H51-W207 HydrophobicContact CB-CH2 4.14Å; H51-W207 HydrophobicContact CB-CZ2 3.76Å; R55-W207 HydrophobicContact CG-CH2 4.18Å; R55-W207 HydrophobicContact CG-CZ2 4.37Å; E179-W207 PolarHBondContact O-NE1 2.81Å; C180-W207 HydrophobicContact CB-CD2 4.14Å; C180-W207 HydrophobicContact CB-CE3 4.29Å; C180-W207 HydrophobicContact CB-CH2 3.79Å; C180-W207 HydrophobicContact CB-CZ2 3.59Å; C180-W207 HydrophobicContact CB-CZ3 4.13Å; C180-W207 PolarHBondContact O-N 3.46Å; A205-W207 VanDerWaalsContact O-CZ3 3.26Å; A205-W207 WeakPolarHBondContact O-CZ3 3.19Å
208G91.4Very high95Very high3 Ų326 Ų263%0.03117%0.168CC..SBendtrans129.3-170.5-172.300000111.5G206G206-G208 CarbonylContact C-O 3.42Å; G206-G208 PolarHBondContact O-N 3.36Å
209G92.4Very high94.5Very high20 Ų2027.6 Ų27.621%0.20618%0.177CC..SBendtrans85.6-132.2179.700000112.9S40 T42S40-G209 PolarHBondContact N-O 2.82Å; S40-G209 PolarHBondContact OG-O 2.86Å; T42-G209 PolarHBondContact O-N 3.02Å
210C94.9Very high94.1Very high30 Ų3027.6 Ų27.620%0.20318%0.177CC..EExtended strand (participates in β ladder)trans-107.7155.3-170.2-64.10000113.1V37 V38 T203V37-C210 HydrophobicContact CG1-CB 4.06Å; V38-C210 CarbonylContact O-C 3.31Å; V38-C210 WeakPolarHBondContact O-CA 3.4Å; V38-C210 WeakPolarHBondContact O-CB 3.34Å; T203-C210 HydrophobicContact CG2-CB 3.72Å; T203-C210 PolarHBondContact N-O 3.21Å
211A96.4Very high93.6Very high0 Ų032.3 Ų32.30%020%0.202CC..EExtended strand (participates in β ladder)trans-110.3151.6159.200000110.6V37 V38 L185 I188 R201V37-A211 WeakPolarHBondContact CA-O 3.46Å; V38-A211 HydrophobicContact CG1-CB 3.92Å; V38-A211 PolarHBondContact N-O 3.11Å; V38-A211 PolarHBondContact O-N 3.33Å; L185-A211 HydrophobicContact CD2-CB 4.36Å; I188-A211 HydrophobicContact CG2-CB 4.16Å; R201-A211 CarbonylContact O-C 3.45Å; R201-A211 WeakPolarHBondContact O-CA 3.32Å; R201-A211 WeakPolarHBondContact O-CB 3.44Å
212V97.3Very high93.3Very high26 Ų2635.6 Ų35.616%0.15821%0.214CC..EExtended strand (participates in β ladder)trans-112.9130.1169.262.20000108.8F35 V36 M167 R201F35-V212 HydrophobicContact CB-CG2 4.4Å; F35-V212 HydrophobicContact CD1-CG2 3.81Å; V36-V212 WeakPolarHBondContact O-CA 3.29Å; M167-V212 HydrophobicContact CE-CG1 4.18Å; M167-V212 WeakPolarHBondContact CE-O 3.4Å; R201-V212 HydrophobicContact CG-CG1 3.65Å; R201-V212 PolarHBondContact N-O 2.8Å; R201-V212 PolarHBondContact O-N 2.6Å
213V97.8Very high92.9Very high0 Ų035.5 Ų35.50%021%0.214CC..EExtended strand (participates in β ladder)trans-120.3133.1-174-176.70000108.7F35 V36 V38 Y192 A197 G199 A200 M215F35-V213 CarbonylContact C-O 3.46Å; F35-V213 VanDerWaalsContact CA-O 3.23Å; F35-V213 WeakPolarHBondContact CA-O 3.31Å; V36-V213 HydrophobicContact CB-CB 4.25Å; V36-V213 PolarHBondContact N-O 3.3Å; V36-V213 PolarHBondContact O-N 3.32Å; V38-V213 HydrophobicContact CG1-CG2 4.34Å; Y192-V213 HydrophobicContact CD1-CB 4.2Å; Y192-V213 HydrophobicContact CD1-CG1 3.7Å; Y192-V213 HydrophobicContact CD1-CG2 3.97Å; Y192-V213 HydrophobicContact CD2-CG2 4.1Å; Y192-V213 HydrophobicContact CE1-CG1 4.49Å; Y192-V213 HydrophobicContact CE1-CG2 4.42Å; Y192-V213 HydrophobicContact CG-CB 4.42Å; Y192-V213 HydrophobicContact CG-CG1 3.99Å; Y192-V213 HydrophobicContact CG-CG2 3.75Å; A197-V213 HydrophobicContact CB-CG1 3.34Å; G199-V213 CarbonylContact O-C 3.5Å; G199-V213 WeakPolarHBondContact O-CA 3.48Å; A200-V213 HydrophobicContact CB-CG1 4.41Å; A200-V213 HydrophobicContact CB-CG2 4.07Å; V213-M215 HydrophobicContact CG1-CG 3.96Å
214L97.7Very high92.6Very high0 Ų033.3 Ų33.30%020%0.2CC..EExtended strand (participates in β ladder)trans-102.2127.4173.3173.664.9000109.6A33 V34 F35 M163 M167 L198 G199A33-L214 HydrophobicContact CB-CD1 3.69Å; V34-L214 WeakPolarHBondContact O-CA 3.15Å; F35-L214 HydrophobicContact CD1-CB 4.47Å; F35-L214 HydrophobicContact CD1-CD1 4.44Å; F35-L214 HydrophobicContact CE1-CB 4.21Å; F35-L214 HydrophobicContact CE1-CD1 4.02Å; F35-L214 HydrophobicContact CE2-CD1 4.17Å; F35-L214 HydrophobicContact CZ-CD1 3.88Å; M163-L214 HydrophobicContact CB-CD2 3.58Å; M163-L214 HydrophobicContact CE-CD2 4.3Å; M167-L214 HydrophobicContact CE-CB 3.84Å; M167-L214 HydrophobicContact SD-CB 3.54Å; M167-L214 VanDerWaalsContact SD-CB 3.54Å; M167-L214 HydrophobicContact SD-CD2 4.02Å; M167-L214 HydrophobicContact SD-CG 4.4Å; L198-L214 HydrophobicContact CB-CD2 4.44Å; L198-L214 HydrophobicContact CB-CG 4.32Å; L198-L214 PolarHBondContact N-O 3.2Å; G199-L214 PolarHBondContact N-O 2.81Å; G199-L214 PolarHBondContact O-N 3.01Å
215M96Very high92.3Very high0 Ų034.5 Ų34.50%020%0.204CC..EExtended strand (participates in β ladder)trans-131.6155.7178.5-60-164.974.100110.8V34 V36 Y192 A197 V213 D219 V220 V223V34-M215 PolarHBondContact N-O 3.36Å; V34-M215 PolarHBondContact O-N 3.13Å; V36-M215 HydrophobicContact CG2-SD 4.25Å; Y192-M215 HydrophobicContact CD1-SD 4.44Å; A197-M215 HydrophobicContact CB-CG 4.09Å; V213-M215 HydrophobicContact CG1-CG 3.96Å; M215-D219 HydrophobicContact CE-CB 4.07Å; M215-V220 HydrophobicContact CB-CG2 3.65Å; M215-V220 HydrophobicContact SD-CG2 4.39Å; M215-V223 HydrophobicContact CE-CB 3.64Å; M215-V223 HydrophobicContact CE-CG1 3.83Å; M215-V223 HydrophobicContact CE-CG2 3.47Å; M215-V223 VanDerWaalsContact CE-CG2 3.47Å; M215-V223 HydrophobicContact SD-CB 4.15Å; M215-V223 HydrophobicContact SD-CG1 4.04Å
216A94.8Very high92.2Very high21 Ų2139 Ų3917%0.17422%0.221CC..EExtended strand (participates in β ladder)trans-71.6142.7165.600000109.8D32 I160 D218 D219 V220D32-A216 WeakPolarHBondContact O-CA 3.12Å; I160-A216 HydrophobicContact CD1-CB 4.35Å; A216-D218 PolarHBondContact O-N 3.11Å; A216-D218 VanDerWaalsContact O-N 3.1Å; A216-D219 PolarHBondContact O-N 3.32Å; A216-D219 VanDerWaalsContact O-N 3.08Å; A216-V220 WeakPolarHBondContact O-CG2 3.47Å
217A90.4Very high92.1Very high24 Ų2439.7 Ų39.720%0.19822%0.224CC..Hα-helixtrans-54.2-34-17500000114.5D32 V34 D219D32-A217 PolarHBondContact O-N 3.15Å; V34-A217 HydrophobicContact CG2-CB 3.85Å; A217-D219 VanDerWaalsContact C-N 3.33Å; A217-D219 PolarHBondContact O-N 3.27Å
218D90.6Very high91.5Very high159 Ų15941.3 Ų41.385%0.8524%0.239SC*.Hα-helixtrans-73.2-23.3-176.7-62-21.2000113.1A216A216-D218 PolarHBondContact O-N 3.11Å; A216-D218 VanDerWaalsContact O-N 3.1Å
219D89.1Confident90.9Very high61 Ų6141.4 Ų41.433%0.32624%0.239SC..Hα-helixtrans-92.7-19.7-176.9-70.5-50.2000113.5M215 A216 A217 D221 R222 V223M215-D219 HydrophobicContact CE-CB 4.07Å; A216-D219 PolarHBondContact O-N 3.32Å; A216-D219 VanDerWaalsContact O-N 3.08Å; A217-D219 VanDerWaalsContact C-N 3.33Å; A217-D219 PolarHBondContact O-N 3.27Å; D219-D221 PolarHBondContact O-N 3.1Å; D219-R222 PolarHBondContact O-N 3.01Å; D219-V223 WeakPolarHBondContact O-CG2 3.44Å; D219-V223 PolarHBondContact O-N 3.33Å
220V89.2Confident90Very high0 Ų042.3 Ų42.30%024%0.239CC..Hα-helixtrans-61.9-50.2-167.71730000112V34 V36 M215 A216 R222 V223 V224 V232V34-V220 HydrophobicContact CB-CG2 3.48Å; V34-V220 VanDerWaalsContact CB-CG2 3.48Å; V34-V220 HydrophobicContact CG1-CB 4.34Å; V34-V220 HydrophobicContact CG1-CG1 4.01Å; V34-V220 HydrophobicContact CG1-CG2 3.52Å; V34-V220 HydrophobicContact CG2-CG2 3.91Å; V36-V220 HydrophobicContact CG2-CG1 4.39Å; M215-V220 HydrophobicContact CB-CG2 3.65Å; M215-V220 HydrophobicContact SD-CG2 4.39Å; A216-V220 WeakPolarHBondContact O-CG2 3.47Å; V220-R222 VanDerWaalsContact C-N 3.27Å; V220-R222 PolarHBondContact O-N 3.2Å; V220-V223 PolarHBondContact O-N 2.97Å; V220-V223 VanDerWaalsContact O-N 3.13Å; V220-V224 HydrophobicContact CG1-CG1 3.96Å; V220-V224 WeakPolarHBondContact O-CG1 3.49Å; V220-V224 VanDerWaalsContact O-CG2 3.27Å; V220-V224 WeakPolarHBondContact O-CG2 3.46Å; V220-V224 PolarHBondContact O-N 2.79Å; V220-V232 HydrophobicContact CG1-CG1 3.86Å
221D88.7Confident89Confident99 Ų9944.3 Ų44.353%0.52924%0.244SC..Hα-helixtrans-63.8-34.4-171.9-70.1-28.2000111.8D219 A225D219-D221 PolarHBondContact O-N 3.1Å; D221-A225 WeakPolarHBondContact O-CB 3.47Å; D221-A225 PolarHBondContact O-N 3.45Å
222R91.5Very high87.9Confident117 Ų11744.8 Ų44.844%0.44225%0.247SC..Hα-helixtrans-65.7-49.4173.2-178.1-176.665.480.51.4111H195 D219 V220 A225 E226H195-R222 PolarHBondContact O-NH2 2.92Å; H195-R222 VanDerWaalsContact O-NH2 3.15Å; D219-R222 PolarHBondContact O-N 3.01Å; V220-R222 VanDerWaalsContact C-N 3.27Å; V220-R222 PolarHBondContact O-N 3.2Å; R222-A225 PolarHBondContact O-N 2.89Å; R222-E226 IonicContact NH1-OE2 3.53Å
223V89.4Confident86.9Confident0 Ų045.3 Ų45.30%025%0.252CS..Hα-helixtrans-71.3-39.9-173.1173.90000112.2Y192 H195 M215 D219 V220 A225 E226 L227Y192-V223 HydrophobicContact CD1-CG1 4.15Å; Y192-V223 HydrophobicContact CE1-CG1 4.11Å; H195-V223 HydrophobicContact CB-CG1 4.08Å; H195-V223 HydrophobicContact CB-CG2 4.18Å; H195-V223 WeakPolarHBondContact O-CG2 3.21Å; M215-V223 HydrophobicContact CE-CB 3.64Å; M215-V223 HydrophobicContact CE-CG1 3.83Å; M215-V223 HydrophobicContact CE-CG2 3.47Å; M215-V223 VanDerWaalsContact CE-CG2 3.47Å; M215-V223 HydrophobicContact SD-CB 4.15Å; M215-V223 HydrophobicContact SD-CG1 4.04Å; D219-V223 WeakPolarHBondContact O-CG2 3.44Å; D219-V223 PolarHBondContact O-N 3.33Å; V220-V223 PolarHBondContact O-N 2.97Å; V220-V223 VanDerWaalsContact O-N 3.13Å; V223-A225 PolarHBondContact O-N 3.47Å; V223-E226 PolarHBondContact O-N 2.82Å; V223-E226 VanDerWaalsContact O-N 3.11Å; V223-L227 HydrophobicContact CG1-CD1 3.71Å; V223-L227 HydrophobicContact CG1-CG 4.16Å; V223-L227 WeakPolarHBondContact O-CB 3.27Å; V223-L227 PolarHBondContact O-N 2.92Å
224V88.3Confident85.5Confident15 Ų1548.1 Ų48.19%0.09126%0.264CS..Hα-helixtrans-73.7-13.3178.1-56.30000113.3V36 V220 V232 Q242V36-V224 HydrophobicContact CG1-CG1 4.32Å; V36-V224 HydrophobicContact CG2-CG1 4.17Å; V220-V224 HydrophobicContact CG1-CG1 3.96Å; V220-V224 WeakPolarHBondContact O-CG1 3.49Å; V220-V224 VanDerWaalsContact O-CG2 3.27Å; V220-V224 WeakPolarHBondContact O-CG2 3.46Å; V220-V224 PolarHBondContact O-N 2.79Å; V224-V232 HydrophobicContact CG1-CG2 3.92Å; V224-Q242 VanDerWaalsContact CG2-NE2 3.31Å
225A87.5Confident83.8Confident85 Ų8549 Ų4970%0.70227%0.27SS*.Hα-helixtrans-77.2-25169.300000112.3D221 R222 V223D221-A225 WeakPolarHBondContact O-CB 3.47Å; D221-A225 PolarHBondContact O-N 3.45Å; R222-A225 PolarHBondContact O-N 2.89Å; V223-A225 PolarHBondContact O-N 3.47Å
226E88.1Confident81.8Confident119 Ų11952.2 Ų52.256%0.55630%0.297SS*.Hα-helixtrans-100.9-30.4-177.4-67.2174-17800112.6H195 R222 V223H195-E226 IonicContact CD2-OE2 2.69Å; R222-E226 IonicContact NH1-OE2 3.53Å; V223-E226 PolarHBondContact O-N 2.82Å; V223-E226 VanDerWaalsContact O-N 3.11Å
227L89.3Confident80Confident18 Ų1858.1 Ų58.19%0.09432%0.321CS..SBendtrans-115.5147.9-173.7-59.5-171.8000112.7L191 Y192 H195 V223 S229L191-L227 HydrophobicContact CD1-CD2 4.19Å; L191-L227 HydrophobicContact CD2-CD2 3.9Å; L191-L227 HydrophobicContact CG-CD1 4.1Å; L191-L227 HydrophobicContact CG-CD2 4Å; Y192-L227 HydrophobicContact CD1-CD1 4.1Å; Y192-L227 HydrophobicContact CD2-CD1 4.2Å; Y192-L227 HydrophobicContact CE1-CD1 4.19Å; Y192-L227 HydrophobicContact CE2-CB 4.41Å; Y192-L227 HydrophobicContact CE2-CD1 4.24Å; Y192-L227 HydrophobicContact CG-CD1 4.15Å; H195-L227 HydrophobicContact CB-CD1 4.03Å; V223-L227 HydrophobicContact CG1-CD1 3.71Å; V223-L227 HydrophobicContact CG1-CG 4.16Å; V223-L227 WeakPolarHBondContact O-CB 3.27Å; V223-L227 PolarHBondContact O-N 2.92Å; L227-S229 PolarHBondContact O-N 3.3Å
228P81.1Confident78.5Confident71 Ų7158.3 Ų58.346%0.46133%0.326SS..  trans-66.6134.5177.628-34.8000111.2V38 Y192V38-P228 WeakPolarHBondContact CG2-O 3.43Å; Y192-P228 PolarHBondContact OH-O 3.42Å
229S77.6Confident77.1Confident5 Ų556.6 Ų56.64%0.03532%0.315CS..  trans-135.6141.617269.30000110.6L227 Q242 F244L227-S229 PolarHBondContact O-N 3.3Å; S229-Q242 WeakPolarHBondContact OG-CG 3.4Å; S229-Q242 PolarHBondContact OG-OE1 2.91Å; S229-F244 WeakPolarHBondContact O-CZ 3.21Å
230L75.1Confident75.8Confident39 Ų3962 Ų6220%0.20433%0.331CS..SBendtrans-81.2-47.2170.2-71.1169.5000110.1V37 H39 Q242 F244V37-L230 HydrophobicContact CG1-CD1 4.33Å; V37-L230 WeakPolarHBondContact O-CB 3.45Å; V37-L230 PolarHBondContact O-N 3.03Å; H39-L230 HydrophobicContact CB-CD1 3.68Å; H39-L230 HydrophobicContact CB-CD2 4.34Å; H39-L230 HydrophobicContact CB-CG 4.07Å; L230-Q242 PolarHBondContact O-N 3.41Å; L230-F244 HydrophobicContact CD2-CE2 3.79Å; L230-F244 HydrophobicContact CD2-CZ 3.59Å; L230-F244 HydrophobicContact CG-CZ 4.24Å
231F73.6Confident74.2Confident71 Ų7167.9 Ų67.931%0.31136%0.361SS..EExtended strand (participates in β ladder)trans-147.2146.5-174.6-56.2-88.4000111.1V36 V37 I239 L241V36-F231 WeakPolarHBondContact CA-O 3.38Å; V37-F231 HydrophobicContact CB-CB 4.32Å; V37-F231 HydrophobicContact CB-CD2 4.45Å; V37-F231 PolarHBondContact N-O 3.33Å; V37-F231 PolarHBondContact O-N 3.24Å; F231-I239 HydrophobicContact CB-CG2 3.84Å; F231-I239 HydrophobicContact CD1-CG2 3.3Å; F231-I239 HydrophobicContact CE1-CG2 4.08Å; F231-I239 HydrophobicContact CG-CG2 3.88Å; F231-L241 HydrophobicContact CD1-CD2 3.54Å; F231-L241 HydrophobicContact CD1-CG 3.79Å; F231-L241 HydrophobicContact CE1-CD1 4.43Å; F231-L241 HydrophobicContact CE1-CD2 2.99Å; F231-L241 HydrophobicContact CE1-CG 3.49Å; F231-L241 VanDerWaalsContact CE1-CG 3.49Å; F231-L241 HydrophobicContact CZ-CD2 3.68Å
232V72.6Confident72.6Confident10 Ų1065.7 Ų65.76%0.06135%0.348CS..EExtended strand (participates in β ladder)trans-120.4129.7168.8-178.60000108.1V34 V36 V220 V224 R240 Q242V34-V232 HydrophobicContact CG1-CG1 3.7Å; V36-V232 HydrophobicContact CG1-CG2 4.32Å; V36-V232 HydrophobicContact CG2-CG1 4.4Å; V36-V232 HydrophobicContact CG2-CG2 4.26Å; V220-V232 HydrophobicContact CG1-CG1 3.86Å; V224-V232 HydrophobicContact CG1-CG2 3.92Å; V232-R240 PolarHBondContact N-O 3.48Å; V232-R240 PolarHBondContact O-N 2.84Å; V232-Q242 HydrophobicContact CG2-CG 4.2Å
233S75.8Confident70.4Confident38 Ų3871.8 Ų71.827%0.26637%0.371SS..EExtended strand (participates in β ladder)trans-124.3123.4176.4-172.10000110.7F35 G238F35-S233 PolarHBondContact N-O 3.22Å; F35-S233 PolarHBondContact O-N 3.21Å; S233-G238 WeakPolarHBondContact CA-O 3.32Å; S233-G238 PolarHBondContact OG-O 2.83Å
234K70.3Confident68.5Low58 Ų5881.7 Ų81.725%0.25241%0.414SS..  trans-99.9138167.6-58.9-171.6177.3-178.90108V34 A236 Q237V34-K234 HydrophobicContact CB-CG 4.48Å; V34-K234 HydrophobicContact CG1-CG 3.92Å; V34-K234 HydrophobicContact CG2-CD 4.28Å; V34-K234 HydrophobicContact CG2-CG 3.83Å; K234-A236 PolarHBondContact O-N 3.16Å; K234-Q237 HydrophobicContact CB-CB 4.15Å; K234-Q237 HydrophobicContact CB-CG 4.31Å; K234-Q237 PolarHBondContact O-N 3.39Å
235P61.5Low67.5Low18 Ų1885 Ų8512%0.11743%0.431CS..THydrogen-bonded Turntrans-50.2136176.2-3239.2000111.3L29 P30 A33 Q237L29-P235 HydrophobicContact CB-CB 3.96Å; L29-P235 HydrophobicContact CB-CG 3.62Å; L29-P235 HydrophobicContact CD1-CG 4.23Å; P30-P235 WeakPolarHBondContact O-CG 3.42Å; A33-P235 WeakPolarHBondContact O-CD 3.37Å; A33-P235 WeakPolarHBondContact O-CG 3.05Å; P235-Q237 PolarHBondContact O-N 3.39Å; P235-Q237 VanDerWaalsContact O-N 3.15Å
236A53.1Low66.4Low68 Ų6885 Ų8556%0.56242%0.416SS*.THydrogen-bonded Turntrans63.44.3-175.700000117.6G12 K234G12-A236 VanDerWaalsContact CA-CA 3.44Å; K234-A236 PolarHBondContact O-N 3.16Å
237Q57.9Low65.2Low145 Ų14583.1 Ų83.168%0.67841%0.408SS*.SBendtrans-114.26.7177.9-58.8-173.2-3.800113.7K234 P235K234-Q237 HydrophobicContact CB-CB 4.15Å; K234-Q237 HydrophobicContact CB-CG 4.31Å; K234-Q237 PolarHBondContact O-N 3.39Å; P235-Q237 PolarHBondContact O-N 3.39Å; P235-Q237 VanDerWaalsContact O-N 3.15Å
238G58.6Low63.8Low29 Ų2986.9 Ų86.930%0.29943%0.427SS..  trans70.4-157.6-179.900000113.5S233S233-G238 WeakPolarHBondContact CA-O 3.32Å; S233-G238 PolarHBondContact OG-O 2.83Å
239I60.3Low62.7Low122 Ų12287.9 Ų87.963%0.62643%0.425SS*.EExtended strand (participates in β ladder)trans-103.2123-179.2-63176.5000108.9F231F231-I239 HydrophobicContact CB-CG2 3.84Å; F231-I239 HydrophobicContact CD1-CG2 3.3Å; F231-I239 HydrophobicContact CE1-CG2 4.08Å; F231-I239 HydrophobicContact CG-CG2 3.88Å
240R62Low61.8Low176 Ų17693.5 Ų93.566%0.66445%0.451SS*.EExtended strand (participates in β ladder)trans-96.3111.5168.2-172.4177179.2-173.2-1.1109.3V232 Q242V232-R240 PolarHBondContact N-O 3.48Å; V232-R240 PolarHBondContact O-N 2.84Å; R240-Q242 PolarHBondContact O-N 3.42Å
241L56.3Low60.8Low122 Ų12297.4 Ų97.464%0.63947%0.468SS*.EExtended strand (participates in β ladder)trans-63.2123.5167.4-89.2161.7000109.5F231F231-L241 HydrophobicContact CD1-CD2 3.54Å; F231-L241 HydrophobicContact CD1-CG 3.79Å; F231-L241 HydrophobicContact CE1-CD1 4.43Å; F231-L241 HydrophobicContact CE1-CD2 2.99Å; F231-L241 HydrophobicContact CE1-CG 3.49Å; F231-L241 VanDerWaalsContact CE1-CG 3.49Å; F231-L241 HydrophobicContact CZ-CD2 3.68Å
242Q54.2Low59.8Low53 Ų5399.4 Ų99.425%0.24848%0.48CS..PPolyproline II helixtrans-86.2127.6164.9-66.7-134.8-6.200108.1V224 S229 L230 V232 R240V224-Q242 VanDerWaalsContact CG2-NE2 3.31Å; S229-Q242 WeakPolarHBondContact OG-CG 3.4Å; S229-Q242 PolarHBondContact OG-OE1 2.91Å; L230-Q242 PolarHBondContact O-N 3.41Å; V232-Q242 HydrophobicContact CG2-CG 4.2Å; R240-Q242 PolarHBondContact O-N 3.42Å
243R46.5Very low58.8Low246 Ų246106.8 Ų106.893%0.92852%0.515SS*.PPolyproline II helixtrans-79.5123.2174.1-73.8-173.2177.5-172.9-0.7107.6
244F48.6Very low57.2Low207 Ų207113.1 Ų113.191%0.90854%0.538SS*.  trans-69.10168-64.2-83.1000111S229 L230S229-F244 WeakPolarHBondContact O-CZ 3.21Å; L230-F244 HydrophobicContact CD2-CE2 3.79Å; L230-F244 HydrophobicContact CD2-CZ 3.59Å; L230-F244 HydrophobicContact CG-CZ 4.24Å

Retrieved 244 of 244 residues in 76.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).