A0A087YRQ7_POEFO Loading...

Four-jointed box kinase 1

AlphaFold DB , UniProt , Accession A0A087YRQ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1V87.8Confident92.6Very high68 Ų6843.7 Ų43.741%0.41223%0.225SC..  0128.60177.60000106.4F6 P148 F153 V244V1-F6 CarbonylContact C-O 3.51Å; V1-F6 WeakPolarHBondContact CA-O 3.47Å; V1-F6 WeakPolarHBondContact CG1-O 3.33Å; V1-P148 HydrophobicContact CG1-CB 4.11Å; V1-F153 HydrophobicContact CG2-CD2 3.97Å; V1-F153 HydrophobicContact CG2-CE2 3.56Å; V1-F153 HydrophobicContact CG2-CZ 4.25Å; V1-V244 HydrophobicContact CG1-CG1 4.35Å; V1-V244 HydrophobicContact CG2-CG1 4.06Å
2D88.4Confident92.8Very high52 Ų5240.8 Ų40.828%0.27821%0.209SC..BIsolated β-bridgetrans-101.7148.5-179-62.4-4.7000109.5G4 I5 F6 S8 N9D2-G4 PolarHBondContact O-N 3.35Å; D2-I5 PolarHBondContact O-N 3.18Å; D2-F6 PolarHBondContact N-O 2.82Å; D2-F6 WeakPolarHBondContact O-CB 3.48Å; D2-F6 PolarHBondContact O-N 2.76Å; D2-S8 WeakPolarHBondContact OD1-CB 3.11Å; D2-S8 VanDerWaalsContact OD2-CA 3.27Å; D2-S8 WeakPolarHBondContact OD2-CA 3.43Å; D2-N9 PolarHBondContact OD2-N 3.24Å
3D86.7Confident93Very high90 Ų9045.8 Ų45.848%0.48124%0.237SC..THydrogen-bonded Turntrans46.234.8-175.9-46.8-47.7000114.4I5 F6 R247 N310D3-I5 PolarHBondContact O-N 2.76Å; D3-F6 HydrophobicContact CB-CD2 3.98Å; D3-F6 HydrophobicContact CB-CE2 4.37Å; D3-R247 IonicContact OD2-CZ 3.79Å; D3-R247 VanDerWaalsContact OD2-CZ 3.22Å; D3-R247 IonicContact OD2-NH1 3.22Å; D3-R247 PolarHBondContact OD2-NH1 3.2Å; D3-R247 IonicContact OD2-NH2 2.76Å; D3-R247 PolarHBondContact OD2-NH2 3.13Å; D3-N310 PolarHBondContact O-OD1 3.25Å
4G89.2Confident93.1Very high15 Ų1549.3 Ų49.316%0.15526%0.255CS..THydrogen-bonded Turntrans72.9-20.1176.900000115.8D2 P148D2-G4 PolarHBondContact O-N 3.35Å; G4-P148 WeakPolarHBondContact O-CB 3.27Å; G4-P148 WeakPolarHBondContact O-CG 3.29Å
5I95.1Very high93.1Very high0 Ų047.6 Ų47.60%025%0.247CC..THydrogen-bonded Turntrans-140.1-2.5-172.861.4153.8000115.2D2 D3 C243 V244 F245 V302 C305 K306 Y309D2-I5 PolarHBondContact O-N 3.18Å; D3-I5 PolarHBondContact O-N 2.76Å; I5-C243 WeakPolarHBondContact CB-O 3.35Å; I5-V244 CarbonylContact O-C 3.58Å; I5-V244 VanDerWaalsContact O-CA 3.28Å; I5-V244 WeakPolarHBondContact O-CA 3.42Å; I5-F245 HydrophobicContact CD1-CD2 4.31Å; I5-F245 PolarHBondContact O-N 3.13Å; I5-V302 HydrophobicContact CD1-CG1 3.78Å; I5-C305 HydrophobicContact CG2-CB 4.01Å; I5-K306 HydrophobicContact CD1-CB 3.8Å; I5-K306 HydrophobicContact CD1-CG 4.33Å; I5-K306 HydrophobicContact CG1-CB 4.35Å; I5-Y309 HydrophobicContact CG2-CD2 4.34Å
6F96.5Very high92.5Very high22 Ų2248.3 Ų48.310%0.09626%0.255CS..BIsolated β-bridgetrans-104.4141.9-179.8-61.4-62.9000111.5V1 D2 D3 S8 F245 R247 M250V1-F6 CarbonylContact C-O 3.51Å; V1-F6 WeakPolarHBondContact CA-O 3.47Å; V1-F6 WeakPolarHBondContact CG1-O 3.33Å; D2-F6 PolarHBondContact N-O 2.82Å; D2-F6 WeakPolarHBondContact O-CB 3.48Å; D2-F6 PolarHBondContact O-N 2.76Å; D3-F6 HydrophobicContact CB-CD2 3.98Å; D3-F6 HydrophobicContact CB-CE2 4.37Å; F6-S8 PolarHBondContact O-N 3.19Å; F6-F245 CarbonylContact C-O 3.35Å; F6-F245 VanDerWaalsContact CA-O 3.31Å; F6-F245 WeakPolarHBondContact CA-O 2.99Å; F6-F245 HydrophobicContact CD1-CB 4.4Å; F6-R247 HydrophobicContact CB-CB 4.3Å; F6-R247 HydrophobicContact CD1-CB 4.15Å; F6-R247 VanDerWaalsContact CD2-NH1 3.32Å; F6-R247 HydrophobicContact CG-CB 4.25Å; F6-R247 HydrophobicContact CG-CG 4.45Å; F6-M250 HydrophobicContact CE1-CB 3.87Å; F6-M250 HydrophobicContact CE1-CG 4Å
7W95.9Very high92.1Very high5 Ų550.5 Ų50.52%0.01927%0.27CS..  trans-55.6144.3162.8-64.6109.5000109.7L11 E12 L146 F153 L161 L164 M165 S168 V244 F245W7-L11 HydrophobicContact CD2-CD2 4.23Å; W7-L11 HydrophobicContact CE3-CD2 3.61Å; W7-L11 HydrophobicContact CZ3-CD2 4.15Å; W7-E12 HydrophobicContact CB-CG 4.35Å; W7-L146 HydrophobicContact CH2-CD1 4.25Å; W7-L146 HydrophobicContact CZ2-CD1 4.28Å; W7-L146 HydrophobicContact CZ2-CD2 4.08Å; W7-F153 HydrophobicContact CH2-CD1 4.12Å; W7-F153 AromaticContact CH2-CE1 3.5Å; W7-F153 HydrophobicContact CH2-CE1 3.5Å; W7-F153 VanDerWaalsContact CH2-CE1 3.5Å; W7-F153 HydrophobicContact CH2-CZ 4.15Å; W7-F153 HydrophobicContact CZ3-CD1 4.03Å; W7-F153 AromaticContact CZ3-CE1 3.74Å; W7-F153 HydrophobicContact CZ3-CE1 3.74Å; W7-F153 HydrophobicContact CZ3-CZ 4.27Å; W7-L161 HydrophobicContact CZ3-CD2 4.14Å; W7-L164 HydrophobicContact CH2-CB 3.74Å; W7-L164 HydrophobicContact CH2-CD1 4.44Å; W7-L164 HydrophobicContact CZ2-CB 3.83Å; W7-M165 HydrophobicContact CB-CE 3.58Å; W7-M165 HydrophobicContact CD2-CB 4.26Å; W7-M165 HydrophobicContact CD2-CE 4.26Å; W7-M165 HydrophobicContact CG-CB 4.28Å; W7-M165 HydrophobicContact CG-CE 3.74Å; W7-M165 HydrophobicContact CG-CG 4.06Å; W7-M165 HydrophobicContact CZ2-CB 4.45Å; W7-S168 PolarHBondContact NE1-OG 2.95Å; W7-V244 HydrophobicContact CD2-CG1 3.6Å; W7-V244 HydrophobicContact CE3-CG1 4Å; W7-V244 HydrophobicContact CG-CG1 4.03Å; W7-V244 HydrophobicContact CH2-CG1 4.31Å; W7-V244 HydrophobicContact CZ2-CB 4.36Å; W7-V244 HydrophobicContact CZ2-CG1 3.92Å; W7-V244 HydrophobicContact CZ3-CG1 4.33Å; W7-F245 VanDerWaalsContact CD1-O 3.31Å; W7-F245 PolarHBondContact N-O 3.03Å
8S94.6Very high91.6Very high10 Ų1050.6 Ų50.67%0.0727%0.266CS..  trans-70.2145.4-176.344.50000111.3D2 F6 W10 L11 E12D2-S8 WeakPolarHBondContact OD1-CB 3.11Å; D2-S8 VanDerWaalsContact OD2-CA 3.27Å; D2-S8 WeakPolarHBondContact OD2-CA 3.43Å; F6-S8 PolarHBondContact O-N 3.19Å; S8-W10 VanDerWaalsContact CB-CD1 3.5Å; S8-W10 PolarHBondContact O-N 3.26Å; S8-W10 VanDerWaalsContact O-N 3.14Å; S8-W10 PolarHBondContact OG-NE1 3.43Å; S8-L11 WeakPolarHBondContact O-CB 3.33Å; S8-L11 PolarHBondContact O-N 3.36Å; S8-E12 PolarHBondContact O-N 3.18Å
9N94.3Very high91.6Very high82 Ų8248.8 Ų48.844%0.43926%0.256SS..Hα-helixtrans-54-40.2-175.6-68.4-24.6000112.9D2 L11 E12 D13D2-N9 PolarHBondContact OD2-N 3.24Å; N9-L11 PolarHBondContact O-N 3.21Å; N9-E12 PolarHBondContact O-N 3.14Å; N9-D13 PolarHBondContact O-N 3.31Å
10W94.9Very high91.7Very high136 Ų13649.6 Ų49.652%0.51526%0.263SS..Hα-helixtrans-59.4-33.817875.5-97000113.2S8 L14 T158S8-W10 VanDerWaalsContact CB-CD1 3.5Å; S8-W10 PolarHBondContact O-N 3.26Å; S8-W10 VanDerWaalsContact O-N 3.14Å; S8-W10 PolarHBondContact OG-NE1 3.43Å; W10-L14 HydrophobicContact CE3-CD1 3.61Å; W10-L14 HydrophobicContact CZ3-CD1 3.58Å; W10-L14 WeakPolarHBondContact O-CG 2.98Å; W10-L14 PolarHBondContact O-N 2.74Å; W10-T158 HydrophobicContact CH2-CG2 4.44Å; W10-T158 HydrophobicContact CZ3-CG2 4.1Å
11L95.4Very high91.7Very high1 Ų155 Ų551%0.00529%0.287CS..Hα-helixtrans-79-37.6-179.7-172.672.4000110.1W7 S8 N9 D13 L14 L15 T158 L161 L162 M165W7-L11 HydrophobicContact CD2-CD2 4.23Å; W7-L11 HydrophobicContact CE3-CD2 3.61Å; W7-L11 HydrophobicContact CZ3-CD2 4.15Å; S8-L11 WeakPolarHBondContact O-CB 3.33Å; S8-L11 PolarHBondContact O-N 3.36Å; N9-L11 PolarHBondContact O-N 3.21Å; L11-D13 VanDerWaalsContact C-N 3.32Å; L11-L14 PolarHBondContact O-N 3.06Å; L11-L15 PolarHBondContact O-N 2.97Å; L11-T158 HydrophobicContact CD1-CG2 4.15Å; L11-L161 HydrophobicContact CD1-CB 3.95Å; L11-L161 HydrophobicContact CD2-CB 3.79Å; L11-L162 HydrophobicContact CD1-CD2 3.83Å; L11-L162 HydrophobicContact CD1-CG 3.95Å; L11-L162 HydrophobicContact CG-CD2 4.07Å; L11-L162 WeakPolarHBondContact O-CD2 3.41Å; L11-M165 HydrophobicContact CB-CE 3.92Å; L11-M165 HydrophobicContact CD2-CE 3.41Å; L11-M165 VanDerWaalsContact CD2-CE 3.41Å; L11-M165 HydrophobicContact CG-CE 3.42Å; L11-M165 VanDerWaalsContact CG-CE 3.42Å
12E95.2Very high92Very high8 Ų853.9 Ų53.94%0.03729%0.29CS..Hα-helixtrans-63.1-38.4173.5-70.6-163-154.900112.2W7 S8 N9 L14 L15 M165 R246 R247 R248W7-E12 HydrophobicContact CB-CG 4.35Å; S8-E12 PolarHBondContact O-N 3.18Å; N9-E12 PolarHBondContact O-N 3.14Å; E12-L14 PolarHBondContact O-N 3.49Å; E12-L15 WeakPolarHBondContact O-CB 3.42Å; E12-L15 PolarHBondContact O-N 3.14Å; E12-L15 VanDerWaalsContact O-N 3.14Å; E12-M165 HydrophobicContact CG-CE 3.97Å; E12-M165 HydrophobicContact CG-SD 3.99Å; E12-R246 HydrophobicContact CG-CG 3.89Å; E12-R246 WeakPolarHBondContact OE1-CG 3.44Å; E12-R246 VanDerWaalsContact OE2-CG 3.3Å; E12-R246 WeakPolarHBondContact OE2-CG 3.4Å; E12-R247 WeakPolarHBondContact OE1-CA 3.15Å; E12-R247 WeakPolarHBondContact OE1-CB 3.38Å; E12-R247 PolarHBondContact OE1-N 2.91Å; E12-R248 WeakPolarHBondContact OE2-CG 3.48Å; E12-R248 PolarHBondContact OE2-N 3.14Å
13D94.6Very high92.3Very high107 Ų10756.3 Ų56.357%0.57230%0.296SS*.Hα-helixtrans-69.8-20.3178.3-69.8-27.3000112.8N9 L11 R248N9-D13 PolarHBondContact O-N 3.31Å; L11-D13 VanDerWaalsContact C-N 3.32Å; D13-R248 IonicContact OD1-CZ 3.91Å; D13-R248 IonicContact OD1-NH2 3.33Å; D13-R248 PolarHBondContact OD1-NH2 3.49Å
14L95.2Very high92.8Very high94 Ų9452.2 Ų52.249%0.49227%0.274SS..Hα-helixtrans-85.1-15.6172.1-70.4176.3000113.5W10 L11 E12 P16 T158 L162W10-L14 HydrophobicContact CE3-CD1 3.61Å; W10-L14 HydrophobicContact CZ3-CD1 3.58Å; W10-L14 WeakPolarHBondContact O-CG 2.98Å; W10-L14 PolarHBondContact O-N 2.74Å; L11-L14 PolarHBondContact O-N 3.06Å; E12-L14 PolarHBondContact O-N 3.49Å; L14-P16 VanDerWaalsContact O-CD 3.29Å; L14-P16 WeakPolarHBondContact O-CD 3.32Å; L14-T158 HydrophobicContact CD1-CG2 3.99Å; L14-L162 HydrophobicContact CB-CD2 4.27Å
15L92.3Very high93.1Very high24 Ų2457.1 Ų57.113%0.12629%0.293CS..SBendtrans-68.5119-179.5-176.568.5000109.7L11 E12 V17 L162 M165 Q166L11-L15 PolarHBondContact O-N 2.97Å; E12-L15 WeakPolarHBondContact O-CB 3.42Å; E12-L15 PolarHBondContact O-N 3.14Å; E12-L15 VanDerWaalsContact O-N 3.14Å; L15-V17 PolarHBondContact O-N 3.38Å; L15-L162 HydrophobicContact CB-CD2 4.1Å; L15-L162 HydrophobicContact CD1-CD2 4.18Å; L15-M165 HydrophobicContact CB-SD 4.27Å; L15-M165 HydrophobicContact CD2-SD 3.85Å; L15-M165 HydrophobicContact CG-SD 4.5Å; L15-Q166 HydrophobicContact CD1-CG 3.62Å
16P84.8Confident93.1Very high59 Ų5960.2 Ų60.238%0.38332%0.318SS..  trans-65.9127.1-178-18.932000111.3L14 R18 N211L14-P16 VanDerWaalsContact O-CD 3.29Å; L14-P16 WeakPolarHBondContact O-CD 3.32Å; P16-R18 PolarHBondContact O-N 3.41Å; P16-R18 VanDerWaalsContact O-N 3.12Å; P16-N211 WeakPolarHBondContact CD-OD1 3.19Å; P16-N211 VanDerWaalsContact CG-OD1 3.22Å; P16-N211 WeakPolarHBondContact CG-OD1 3.31Å
17V85.3Confident93.2Very high85 Ų8560.2 Ų60.252%0.51532%0.318SS..  trans-73.9103.6164.9-176.20000107.6L15 T20 T86L15-V17 PolarHBondContact O-N 3.38Å; V17-T20 HydrophobicContact CB-CG2 4.29Å; V17-T20 HydrophobicContact CG1-CG2 3.73Å; V17-T86 HydrophobicContact CG1-CG2 3.98Å
18R82.4Confident93.3Very high53 Ų5360.8 Ų60.820%0.232%0.32CS..  trans-76-67.5-174.1-177.6-175.8-175.4116.312112P16 T20 I127 T207P16-R18 PolarHBondContact O-N 3.41Å; P16-R18 VanDerWaalsContact O-N 3.12Å; R18-T20 PolarHBondContact O-N 3.07Å; R18-I127 VanDerWaalsContact NH2-CG2 3.27Å; R18-T207 PolarHBondContact NH1-OG1 3.48Å; R18-T207 VanDerWaalsContact NH1-OG1 3.12Å
19F92.8Very high93.3Very high16 Ų1664 Ų647%0.0734%0.342CS..SBendtrans-95.584.8178.3-57.2-68.6000107.9Y23 T86 L88 P89 P90 I127 V213F19-Y23 HydrophobicContact CD1-CD1 4.04Å; F19-Y23 AromaticContact CD1-CE1 3.81Å; F19-Y23 HydrophobicContact CD1-CE1 3.81Å; F19-Y23 HydrophobicContact CE1-CE1 4.27Å; F19-T86 VanDerWaalsContact CD2-O 3.31Å; F19-T86 WeakPolarHBondContact CD2-O 3.14Å; F19-T86 PolarHBondContact N-O 3.32Å; F19-L88 WeakPolarHBondContact CD2-O 3.31Å; F19-L88 VanDerWaalsContact CE2-C 3.49Å; F19-P89 HydrophobicContact CE1-CB 4.21Å; F19-P89 HydrophobicContact CE2-CB 4.04Å; F19-P89 HydrophobicContact CE2-CG 3.93Å; F19-P89 VanDerWaalsContact CE2-N 3.31Å; F19-P89 VanDerWaalsContact CZ-CA 3.49Å; F19-P89 HydrophobicContact CZ-CB 3.73Å; F19-P89 HydrophobicContact CZ-CG 3.84Å; F19-P90 VanDerWaalsContact CD1-CD 3.49Å; F19-I127 HydrophobicContact CE1-CD1 3.83Å; F19-I127 HydrophobicContact CZ-CD1 3.79Å; F19-I127 HydrophobicContact CZ-CG1 4.1Å; F19-V213 HydrophobicContact CE2-CG1 4.46Å
20T92.6Very high93.4Very high64 Ų6464.5 Ų64.539%0.39334%0.341SS..  trans-61.1154173.764.60000110V17 R18 G22 Y23 A24V17-T20 HydrophobicContact CB-CG2 4.29Å; V17-T20 HydrophobicContact CG1-CG2 3.73Å; R18-T20 PolarHBondContact O-N 3.07Å; T20-G22 VanDerWaalsContact C-N 3.33Å; T20-G22 PolarHBondContact O-N 3.15Å; T20-Y23 PolarHBondContact O-N 3.27Å; T20-Y23 WeakPolarHBondContact OG1-CB 3.3Å; T20-Y23 PolarHBondContact OG1-N 2.95Å; T20-A24 WeakPolarHBondContact O-CB 3.41Å; T20-A24 PolarHBondContact O-N 3.13Å
21E91.3Very high93.5Very high163 Ų16358.1 Ų58.176%0.76232%0.317SS*.Hα-helixtrans-57-46.7179.4-176171.4-164.700112Y23 A24 E25E21-Y23 PolarHBondContact O-N 3.36Å; E21-A24 PolarHBondContact O-N 3.43Å; E21-E25 WeakPolarHBondContact O-CB 3.47Å; E21-E25 PolarHBondContact O-N 3.11Å
22G94.6Very high93.5Very high46 Ų4661.7 Ų61.747%0.47433%0.33SS..Hα-helixtrans-64.6-37.8177.600000113.5T20 A26T20-G22 VanDerWaalsContact C-N 3.33Å; T20-G22 PolarHBondContact O-N 3.15Å; G22-A26 WeakPolarHBondContact O-CB 3.31Å; G22-A26 PolarHBondContact O-N 3.47Å
23Y95.3Very high93.4Very high103 Ų10366.5 Ų66.540%0.40436%0.361SS..Hα-helixtrans-63.1-48.5172.6176-92000111.2F19 T20 E21 E25 A26 W27 P90 E125F19-Y23 HydrophobicContact CD1-CD1 4.04Å; F19-Y23 AromaticContact CD1-CE1 3.81Å; F19-Y23 HydrophobicContact CD1-CE1 3.81Å; F19-Y23 HydrophobicContact CE1-CE1 4.27Å; T20-Y23 PolarHBondContact O-N 3.27Å; T20-Y23 WeakPolarHBondContact OG1-CB 3.3Å; T20-Y23 PolarHBondContact OG1-N 2.95Å; E21-Y23 PolarHBondContact O-N 3.36Å; Y23-E25 PolarHBondContact O-N 2.81Å; Y23-A26 PolarHBondContact O-N 2.78Å; Y23-W27 WeakPolarHBondContact O-CB 3.37Å; Y23-W27 PolarHBondContact O-N 2.73Å; Y23-P90 HydrophobicContact CE1-CG 4.26Å; Y23-E125 VanDerWaalsContact CE1-OE2 3.27Å; Y23-E125 WeakPolarHBondContact CE1-OE2 3.41Å; Y23-E125 VanDerWaalsContact OH-CD 3.3Å; Y23-E125 PolarHBondContact OH-OE1 3.24Å; Y23-E125 PolarHBondContact OH-OE2 2.94Å
24A96.1Very high93.5Very high3 Ų362.1 Ų62.13%0.02534%0.338CS..Hα-helixtrans-62.1-44.5-178.600000110.9T20 E21 W27 R28 P90T20-A24 WeakPolarHBondContact O-CB 3.41Å; T20-A24 PolarHBondContact O-N 3.13Å; E21-A24 PolarHBondContact O-N 3.43Å; A24-W27 PolarHBondContact O-N 3.3Å; A24-R28 VanDerWaalsContact CB-NH1 3.32Å; A24-R28 WeakPolarHBondContact O-CB 3.28Å; A24-R28 VanDerWaalsContact O-CG 3.23Å; A24-R28 WeakPolarHBondContact O-CG 3.47Å; A24-R28 PolarHBondContact O-N 2.91Å; A24-P90 HydrophobicContact CB-CB 3.9Å
25E95.6Very high93.6Very high119 Ų11960.3 Ų60.356%0.55633%0.332SS*.Hα-helixtrans-61.7-46.6176.6-173.7179.6-175.400112.3E21 Y23 W27 R28 S29E21-E25 WeakPolarHBondContact O-CB 3.47Å; E21-E25 PolarHBondContact O-N 3.11Å; Y23-E25 PolarHBondContact O-N 2.81Å; E25-W27 VanDerWaalsContact C-N 3.31Å; E25-W27 PolarHBondContact O-N 3.12Å; E25-R28 PolarHBondContact O-N 3.45Å; E25-S29 WeakPolarHBondContact O-CB 3.18Å; E25-S29 PolarHBondContact O-N 2.95Å
26A96.7Very high93.9Very high64 Ų6459.1 Ų59.153%0.52933%0.326SS..Hα-helixtrans-59.9-43.2176.300000111.6G22 Y23 K30G22-A26 WeakPolarHBondContact O-CB 3.31Å; G22-A26 PolarHBondContact O-N 3.47Å; Y23-A26 PolarHBondContact O-N 2.78Å; A26-K30 WeakPolarHBondContact O-CB 3.27Å; A26-K30 PolarHBondContact O-N 3.22Å
27W97.6Very high94.5Very high23 Ų2359.9 Ų59.99%0.08733%0.329CS..Hα-helixtrans-63.4-47.6175.5-172.896.8000111.6Y23 A24 E25 S29 K30 A31 F53 A59 P90 V92 L123 E125Y23-W27 WeakPolarHBondContact O-CB 3.37Å; Y23-W27 PolarHBondContact O-N 2.73Å; A24-W27 PolarHBondContact O-N 3.3Å; E25-W27 VanDerWaalsContact C-N 3.31Å; E25-W27 PolarHBondContact O-N 3.12Å; W27-S29 PolarHBondContact O-N 3.32Å; W27-K30 PolarHBondContact O-N 2.97Å; W27-A31 HydrophobicContact CD2-CB 4.15Å; W27-A31 HydrophobicContact CE3-CB 3.85Å; W27-A31 HydrophobicContact CH2-CB 3.67Å; W27-A31 HydrophobicContact CZ2-CB 3.95Å; W27-A31 HydrophobicContact CZ3-CB 3.62Å; W27-A31 VanDerWaalsContact O-CB 3.29Å; W27-A31 WeakPolarHBondContact O-CB 3.14Å; W27-A31 PolarHBondContact O-N 3.39Å; W27-F53 HydrophobicContact CZ2-CE2 4.47Å; W27-A59 HydrophobicContact CH2-CB 4.33Å; W27-A59 HydrophobicContact CZ2-CB 4.08Å; W27-P90 HydrophobicContact CB-CB 4.36Å; W27-P90 HydrophobicContact CB-CG 3.92Å; W27-P90 HydrophobicContact CD2-CB 4.17Å; W27-P90 HydrophobicContact CD2-CG 3.71Å; W27-P90 HydrophobicContact CE3-CB 3.7Å; W27-P90 HydrophobicContact CE3-CG 3.75Å; W27-P90 HydrophobicContact CG-CB 4.44Å; W27-P90 HydrophobicContact CG-CG 3.76Å; W27-P90 HydrophobicContact CZ3-CB 4.37Å; W27-P90 WeakPolarHBondContact CZ3-O 3.49Å; W27-V92 HydrophobicContact CZ3-CG1 4.27Å; W27-V92 HydrophobicContact CZ3-CG2 4.28Å; W27-L123 HydrophobicContact CH2-CB 4.41Å; W27-L123 WeakPolarHBondContact CH2-O 3.48Å; W27-E125 HydrophobicContact CD2-CB 4.14Å; W27-E125 HydrophobicContact CH2-CB 4.21Å; W27-E125 HydrophobicContact CZ2-CB 3.59Å; W27-E125 HydrophobicContact CZ2-CG 4.19Å; W27-E125 PolarHBondContact NE1-OE1 2.68Å
28R97Very high95.1Very high16 Ų1660.5 Ų60.56%0.0633%0.325CS..Hα-helixtrans-60.4-45.9-179.8-72.7-163.9-58.4-81.3-0.8111.8A24 E25 K30 A31 R32 Y77 P90 L91 V92 N273A24-R28 VanDerWaalsContact CB-NH1 3.32Å; A24-R28 WeakPolarHBondContact O-CB 3.28Å; A24-R28 VanDerWaalsContact O-CG 3.23Å; A24-R28 WeakPolarHBondContact O-CG 3.47Å; A24-R28 PolarHBondContact O-N 2.91Å; E25-R28 PolarHBondContact O-N 3.45Å; R28-K30 VanDerWaalsContact C-N 3.31Å; R28-K30 PolarHBondContact O-N 3.5Å; R28-A31 PolarHBondContact O-N 3.17Å; R28-R32 WeakPolarHBondContact O-CG 3.22Å; R28-R32 PolarHBondContact O-N 2.9Å; R28-R32 VanDerWaalsContact O-N 3.15Å; R28-Y77 PolarHBondContact NH1-OH 2.9Å; R28-P90 HydrophobicContact CG-CB 4.36Å; R28-L91 WeakPolarHBondContact CD-O 2.91Å; R28-L91 WeakPolarHBondContact CG-O 3.07Å; R28-V92 VanDerWaalsContact CA-CG1 3.41Å; R28-V92 HydrophobicContact CB-CG1 3.32Å; R28-V92 HydrophobicContact CG-CG1 3.36Å; R28-N273 PolarHBondContact NH2-OD1 2.87Å
29S95.7Very high95.8Very high78 Ų7858.6 Ų58.655%0.54532%0.319SS..Hα-helixtrans-56.3-47.7177.5-176.80000111.2E25 W27E25-S29 WeakPolarHBondContact O-CB 3.18Å; E25-S29 PolarHBondContact O-N 2.95Å; W27-S29 PolarHBondContact O-N 3.32Å
30K96.6Very high96Very high93 Ų9360.3 Ų60.340%0.40433%0.327SS..Hα-helixtrans-67.2-46.2178.3-177.5179.3178.8-174.40112.9A26 W27 R28 R32 T33 S34 D55A26-K30 WeakPolarHBondContact O-CB 3.27Å; A26-K30 PolarHBondContact O-N 3.22Å; W27-K30 PolarHBondContact O-N 2.97Å; R28-K30 VanDerWaalsContact C-N 3.31Å; R28-K30 PolarHBondContact O-N 3.5Å; K30-R32 VanDerWaalsContact C-N 3.27Å; K30-R32 PolarHBondContact O-N 3.08Å; K30-T33 PolarHBondContact O-N 3.2Å; K30-T33 PolarHBondContact O-OG1 3.5Å; K30-S34 VanDerWaalsContact O-CB 3.29Å; K30-S34 WeakPolarHBondContact O-CB 3.33Å; K30-S34 PolarHBondContact O-N 2.96Å; K30-S34 PolarHBondContact O-OG 3.33Å; K30-D55 WeakPolarHBondContact CE-OD2 3.33Å; K30-D55 IonicContact NZ-OD2 2.98Å; K30-D55 PolarHBondContact NZ-OD2 3.45Å
31A97.2Very high96.1Very high2 Ų261.6 Ų61.62%0.01734%0.336CS..Hα-helixtrans-62-34.1-176.100000112.3W27 R28 T33 F53 V92 Q102W27-A31 HydrophobicContact CD2-CB 4.15Å; W27-A31 HydrophobicContact CE3-CB 3.85Å; W27-A31 HydrophobicContact CH2-CB 3.67Å; W27-A31 HydrophobicContact CZ2-CB 3.95Å; W27-A31 HydrophobicContact CZ3-CB 3.62Å; W27-A31 VanDerWaalsContact O-CB 3.29Å; W27-A31 WeakPolarHBondContact O-CB 3.14Å; W27-A31 PolarHBondContact O-N 3.39Å; R28-A31 PolarHBondContact O-N 3.17Å; A31-T33 VanDerWaalsContact C-N 3.34Å; A31-T33 PolarHBondContact O-N 3.23Å; A31-F53 HydrophobicContact CB-CE2 4.5Å; A31-F53 HydrophobicContact CB-CZ 4.2Å; A31-V92 HydrophobicContact CB-CG2 3.89Å; A31-Q102 PolarHBondContact O-NE2 2.97Å
32R94.8Very high96Very high75 Ų7555.7 Ų55.728%0.28332%0.319SS..Hα-helixtrans-64.8-32.6178.6-76.9173.3-179.2152.67.1114.3R28 K30 V92 Q102 N273 E274R28-R32 WeakPolarHBondContact O-CG 3.22Å; R28-R32 PolarHBondContact O-N 2.9Å; R28-R32 VanDerWaalsContact O-N 3.15Å; K30-R32 VanDerWaalsContact C-N 3.27Å; K30-R32 PolarHBondContact O-N 3.08Å; R32-V92 HydrophobicContact CG-CB 4.03Å; R32-V92 HydrophobicContact CG-CG1 4.04Å; R32-V92 HydrophobicContact CG-CG2 4.16Å; R32-Q102 PolarHBondContact O-NE2 3.02Å; R32-N273 PolarHBondContact NH1-O 3.02Å; R32-N273 PolarHBondContact NH2-O 3.19Å; R32-E274 IonicContact CZ-OE2 3.84Å; R32-E274 VanDerWaalsContact NH2-CD 3.29Å; R32-E274 IonicContact NH2-OE1 2.79Å; R32-E274 PolarHBondContact NH2-OE1 2.87Å; R32-E274 IonicContact NH2-OE2 2.78Å; R32-E274 PolarHBondContact NH2-OE2 3.26Å
33T93.9Very high95.9Very high110 Ų11054 Ų5468%0.67530%0.3SS*.Hα-helixtrans-107.5-13-173.660.80000113K30 A31 P35K30-T33 PolarHBondContact O-N 3.2Å; K30-T33 PolarHBondContact O-OG1 3.5Å; A31-T33 VanDerWaalsContact C-N 3.34Å; A31-T33 PolarHBondContact O-N 3.23Å; T33-P35 WeakPolarHBondContact O-CD 3.38Å
34S96.6Very high95.4Very high15 Ų1552.3 Ų52.311%0.10531%0.314CS..SBendtrans-73126.7-174.8-68.40000111.5K30 V36 Q102K30-S34 VanDerWaalsContact O-CB 3.29Å; K30-S34 WeakPolarHBondContact O-CB 3.33Å; K30-S34 PolarHBondContact O-N 2.96Å; K30-S34 PolarHBondContact O-OG 3.33Å; S34-V36 PolarHBondContact O-N 2.96Å; S34-Q102 WeakPolarHBondContact O-CG 3.36Å; S34-Q102 PolarHBondContact O-NE2 3.42Å
35P97.1Very high94.8Very high55 Ų5556.4 Ų56.436%0.35733%0.329SS..  trans-61.7132.4174.2-22.533.6000112T33 F53 A54T33-P35 WeakPolarHBondContact O-CD 3.38Å; P35-F53 CarbonylContact O-C 3.51Å; P35-F53 VanDerWaalsContact O-CA 3.26Å; P35-F53 WeakPolarHBondContact O-CA 3.34Å; P35-A54 HydrophobicContact CB-CB 4.3Å; P35-A54 HydrophobicContact CG-CB 4.49Å; P35-A54 PolarHBondContact O-N 3.42Å
36V97.7Very high94.2Very high0 Ų058 Ų580%034%0.34CS..EExtended strand (participates in β ladder)trans-85.2116171-179.20000107.9S34 K38 L39 A51 F53 Q102 W103 V106S34-V36 PolarHBondContact O-N 2.96Å; V36-K38 WeakPolarHBondContact CG1-O 3.43Å; V36-L39 HydrophobicContact CG1-CD2 3.92Å; V36-L39 HydrophobicContact CG1-CG 4.06Å; V36-A51 HydrophobicContact CG1-CB 3.8Å; V36-A51 HydrophobicContact CG2-CB 4.32Å; V36-F53 HydrophobicContact CG2-CD1 3.88Å; V36-F53 HydrophobicContact CG2-CE1 3.75Å; V36-Q102 WeakPolarHBondContact CB-O 3.33Å; V36-Q102 HydrophobicContact CG2-CG 4.07Å; V36-Q102 PolarHBondContact N-O 3.39Å; V36-W103 HydrophobicContact CB-CE3 4.49Å; V36-W103 HydrophobicContact CG1-CZ3 4.49Å; V36-W103 HydrophobicContact CG2-CE3 4.4Å; V36-W103 HydrophobicContact CG2-CH2 4.31Å; V36-W103 HydrophobicContact CG2-CZ3 4.21Å; V36-V106 HydrophobicContact CB-CG2 4.17Å; V36-V106 HydrophobicContact CG1-CG1 4.15Å; V36-V106 HydrophobicContact CG1-CG2 3.96Å
37V97.7Very high93.7Very high75 Ų7556.8 Ų56.846%0.45533%0.327SS..EExtended strand (participates in β ladder)trans-99.7-16.3-176.8-62.10000112.9T52 A54V37-T52 HydrophobicContact CG2-CG2 4.46Å; V37-T52 WeakPolarHBondContact CG2-O 3.32Å; V37-T52 PolarHBondContact N-O 3.4Å; V37-A54 HydrophobicContact CG1-CB 3.86Å
38K97.9Very high93.5Very high98 Ų9855.7 Ų55.743%0.42632%0.323SS..EExtended strand (participates in β ladder)trans-149.6140.3178.8-168.3-174.9176.6-156.60111V36 E40 A51 T52V36-K38 WeakPolarHBondContact CG1-O 3.43Å; K38-E40 WeakPolarHBondContact CE-OE1 3.16Å; K38-E40 WeakPolarHBondContact CE-OE2 3.47Å; K38-E40 IonicContact NZ-OE1 3.89Å; K38-E40 PolarHBondContact NZ-OE1 3.05Å; K38-E40 IonicContact NZ-OE2 3.68Å; K38-E40 PolarHBondContact NZ-OE2 3.26Å; K38-A51 WeakPolarHBondContact O-CA 3.45Å; K38-T52 PolarHBondContact N-O 3.25Å; K38-T52 PolarHBondContact O-N 3.37Å
39L97.1Very high93.5Very high13 Ų1354.9 Ų54.97%0.06832%0.32CS..EExtended strand (participates in β ladder)trans-125.5127.6168.6-72.7176000109.2V36 Q49 L50 A51 V61 W103 V106 R109 V110 W115V36-L39 HydrophobicContact CG1-CD2 3.92Å; V36-L39 HydrophobicContact CG1-CG 4.06Å; L39-Q49 HydrophobicContact CB-CB 4.36Å; L39-Q49 HydrophobicContact CD2-CB 3.93Å; L39-L50 WeakPolarHBondContact CA-O 3.49Å; L39-A51 HydrophobicContact CD2-CB 3.83Å; L39-V61 HydrophobicContact CD2-CG2 3.8Å; L39-W103 HydrophobicContact CD1-CE3 4.48Å; L39-W103 HydrophobicContact CD1-CZ3 4.14Å; L39-W103 HydrophobicContact CD2-CZ3 4.21Å; L39-V106 HydrophobicContact CD1-CB 3.92Å; L39-V106 HydrophobicContact CD1-CG2 3.72Å; L39-V106 HydrophobicContact CG-CB 4.06Å; L39-V106 HydrophobicContact CG-CG1 4.2Å; L39-V106 HydrophobicContact CG-CG2 4.03Å; L39-R109 HydrophobicContact CB-CB 4.5Å; L39-R109 HydrophobicContact CB-CG 3.71Å; L39-R109 HydrophobicContact CD1-CG 4.33Å; L39-V110 HydrophobicContact CD1-CG2 3.76Å; L39-W115 HydrophobicContact CD1-CZ3 4.18Å
40E96.6Very high93.5Very high51 Ų5151.8 Ų51.824%0.23830%0.298CS..EExtended strand (participates in β ladder)trans-141.7160.8178.764-169.1137.200112.1K38 Q49 L50K38-E40 WeakPolarHBondContact CE-OE1 3.16Å; K38-E40 WeakPolarHBondContact CE-OE2 3.47Å; K38-E40 IonicContact NZ-OE1 3.89Å; K38-E40 PolarHBondContact NZ-OE1 3.05Å; K38-E40 IonicContact NZ-OE2 3.68Å; K38-E40 PolarHBondContact NZ-OE2 3.26Å; E40-Q49 CarbonylContact O-C 3.6Å; E40-Q49 WeakPolarHBondContact O-CA 3.46Å; E40-L50 HydrophobicContact CG-CB 4.05Å; E40-L50 HydrophobicContact CG-CD2 4.28Å; E40-L50 HydrophobicContact CG-CG 4.49Å; E40-L50 PolarHBondContact N-O 3.06Å; E40-L50 PolarHBondContact O-N 3.19Å
41P94.8Very high93.6Very high91 Ų9147.4 Ų47.459%0.59128%0.278SS*.SBendtrans-59.6143.7170.5-21.634.2000111.4
42G89.6Confident93.7Very high39 Ų3948.2 Ų48.240%0.40228%0.284SS..  trans164-3.9177.800000117W126G42-W126 WeakPolarHBondContact O-CZ3 3.23Å
43C92Very high93.8Very high10 Ų1044.8 Ų44.87%0.06827%0.271CS..SBendtrans-120.851.3-174.9-67.80000112.1R45 N48 C60C43-R45 PolarHBondContact O-N 3.04Å; C43-N48 HydrophobicContact CB-CB 4.26Å; C43-N48 VanDerWaalsContact O-CB 3.28Å; C43-N48 WeakPolarHBondContact O-CB 3.4Å; C43-C60 HydrophobicContact CB-CB 3.64Å; C43-C60 WeakPolarHBondContact CB-SG 3.34Å; C43-C60 WeakPolarHBondContact SG-CA 3.11Å; C43-C60 WeakPolarHBondContact SG-CB 3.34Å; C43-C60 CovalentContact SG-SG 2.04Å; C43-C60 PolarHBondContact SG-SG 3.44Å
44G85.9Confident94Very high69 Ų6942.6 Ų42.671%0.71126%0.264SS*.SBendtrans83-111.4-178.700000112.1
45R82.9Confident94Very high88 Ų8845.5 Ų45.533%0.33228%0.278SS..SBendtrans-61.7155.7-174.6-62.7-177.5-173.2135.210.8112.5C43 S47 N48 E218C43-R45 PolarHBondContact O-N 3.04Å; R45-S47 PolarHBondContact O-N 2.74Å; R45-N48 PolarHBondContact O-N 3.21Å; R45-N48 VanDerWaalsContact O-O 3.06Å; R45-E218 IonicContact CZ-OE2 2.69Å; R45-E218 IonicContact NH1-OE2 3.69Å; R45-E218 PolarHBondContact NH1-OE2 2.89Å
46I83.5Confident94Very high152 Ų15245.1 Ų45.178%0.77928%0.284SS*.THydrogen-bonded Turntrans-60.2-33.7177.6-61173000111.7N48 Q49I46-N48 VanDerWaalsContact C-N 3.26Å; I46-N48 PolarHBondContact O-N 3.46Å; I46-Q49 PolarHBondContact O-NE2 2.83Å
47S85.8Confident93.9Very high39 Ų3947.6 Ų47.627%0.27330%0.299SS..THydrogen-bonded Turntrans-71.5-17.917756.70000113.6R45 W115R45-S47 PolarHBondContact O-N 2.74Å; S47-W115 WeakPolarHBondContact O-CZ2 3.2Å; S47-W115 PolarHBondContact O-NE1 3.42Å; S47-W115 VanDerWaalsContact O-NE1 3.17Å
48N93.1Very high94Very high0 Ų047.6 Ų47.60%029%0.293CS..SBendtrans-95.2143.5176.4-66.7-12.3000108.8C43 R45 I46 V61 R62 Y63 G64 E218C43-N48 HydrophobicContact CB-CB 4.26Å; C43-N48 VanDerWaalsContact O-CB 3.28Å; C43-N48 WeakPolarHBondContact O-CB 3.4Å; R45-N48 PolarHBondContact O-N 3.21Å; R45-N48 VanDerWaalsContact O-O 3.06Å; I46-N48 VanDerWaalsContact C-N 3.26Å; I46-N48 PolarHBondContact O-N 3.46Å; N48-V61 CarbonylContact C-O 3.53Å; N48-V61 WeakPolarHBondContact CA-O 3.39Å; N48-R62 HydrophobicContact CB-CG 4.42Å; N48-R62 WeakPolarHBondContact OD1-CA 3.39Å; N48-Y63 PolarHBondContact OD1-N 2.93Å; N48-G64 PolarHBondContact OD1-N 3.21Å; N48-E218 PolarHBondContact ND2-OE1 3.24Å
49Q96.1Very high94Very high0 Ų043 Ų430%027%0.273CS..EExtended strand (participates in β ladder)trans-128.1150.4-175.1-61.1-66.1-81.300110.9L39 E40 I46 V61 L113 W115L39-Q49 HydrophobicContact CB-CB 4.36Å; L39-Q49 HydrophobicContact CD2-CB 3.93Å; E40-Q49 CarbonylContact O-C 3.6Å; E40-Q49 WeakPolarHBondContact O-CA 3.46Å; I46-Q49 PolarHBondContact O-NE2 2.83Å; Q49-V61 PolarHBondContact N-O 3.35Å; Q49-V61 WeakPolarHBondContact O-CA 3.33Å; Q49-V61 WeakPolarHBondContact O-CB 3.47Å; Q49-V61 PolarHBondContact O-N 3.47Å; Q49-L113 HydrophobicContact CG-CD1 3.46Å; Q49-L113 VanDerWaalsContact CG-CD1 3.46Å; Q49-L113 HydrophobicContact CG-CD2 4.47Å; Q49-W115 HydrophobicContact CB-CH2 4.08Å; Q49-W115 HydrophobicContact CB-CZ2 4.31Å; Q49-W115 HydrophobicContact CG-CH2 3.76Å; Q49-W115 HydrophobicContact CG-CZ2 3.62Å
50L97.7Very high94Very high13 Ų1343 Ų437%0.06827%0.274CS..EExtended strand (participates in β ladder)trans-84.1113163.5-176.663.6000108.4L39 E40 K58 W126L39-L50 WeakPolarHBondContact CA-O 3.49Å; E40-L50 HydrophobicContact CG-CB 4.05Å; E40-L50 HydrophobicContact CG-CD2 4.28Å; E40-L50 HydrophobicContact CG-CG 4.49Å; E40-L50 PolarHBondContact N-O 3.06Å; E40-L50 PolarHBondContact O-N 3.19Å; L50-K58 HydrophobicContact CD1-CB 4.07Å; L50-K58 HydrophobicContact CD1-CD 4.22Å; L50-K58 HydrophobicContact CD2-CD 4.06Å; L50-K58 HydrophobicContact CG-CD 4.25Å; L50-W126 HydrophobicContact CD1-CB 4.09Å; L50-W126 HydrophobicContact CD1-CD2 3.67Å; L50-W126 HydrophobicContact CD1-CE3 3.64Å; L50-W126 HydrophobicContact CD1-CG 3.86Å; L50-W126 HydrophobicContact CD1-CZ3 4.32Å
51A98.1Very high94Very high0 Ų040.6 Ų40.60%026%0.263CS..EExtended strand (participates in β ladder)trans-83.3138.5169.100000110.5V36 K38 L39 K58 A59 V61V36-A51 HydrophobicContact CG1-CB 3.8Å; V36-A51 HydrophobicContact CG2-CB 4.32Å; K38-A51 WeakPolarHBondContact O-CA 3.45Å; L39-A51 HydrophobicContact CD2-CB 3.83Å; A51-K58 WeakPolarHBondContact O-CA 3.26Å; A51-K58 WeakPolarHBondContact O-CB 3.34Å; A51-A59 PolarHBondContact N-O 3.39Å; A51-A59 PolarHBondContact O-N 2.96Å; A51-V61 HydrophobicContact CB-CG2 3.44Å; A51-V61 VanDerWaalsContact CB-CG2 3.44Å
52T98.5Very high94Very high20 Ų2036.7 Ų36.712%0.12324%0.236CC..EExtended strand (participates in β ladder)trans-110.4124.1160.9-53.90000107.9V37 K38 T57 K58V37-T52 HydrophobicContact CG2-CG2 4.46Å; V37-T52 WeakPolarHBondContact CG2-O 3.32Å; V37-T52 PolarHBondContact N-O 3.4Å; K38-T52 PolarHBondContact N-O 3.25Å; K38-T52 PolarHBondContact O-N 3.37Å; T52-T57 WeakPolarHBondContact CA-O 3.47Å; T52-K58 HydrophobicContact CG2-CG 4.41Å
53F98.3Very high94.1Very high3 Ų337.2 Ų37.21%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-78.6163.4174.3-63.7-63.3000111W27 A31 P35 V36 D55 G56 T57 A59 L123W27-F53 HydrophobicContact CZ2-CE2 4.47Å; A31-F53 HydrophobicContact CB-CE2 4.5Å; A31-F53 HydrophobicContact CB-CZ 4.2Å; P35-F53 CarbonylContact O-C 3.51Å; P35-F53 VanDerWaalsContact O-CA 3.26Å; P35-F53 WeakPolarHBondContact O-CA 3.34Å; V36-F53 HydrophobicContact CG2-CD1 3.88Å; V36-F53 HydrophobicContact CG2-CE1 3.75Å; F53-D55 WeakPolarHBondContact CB-OD1 3.2Å; F53-D55 PolarHBondContact O-N 2.9Å; F53-D55 VanDerWaalsContact O-N 3.1Å; F53-G56 PolarHBondContact O-N 2.87Å; F53-T57 WeakPolarHBondContact CD2-OG1 3.2Å; F53-T57 PolarHBondContact N-O 3.04Å; F53-A59 HydrophobicContact CE2-CB 3.68Å; F53-A59 HydrophobicContact CZ-CB 3.86Å; F53-L123 HydrophobicContact CZ-CD2 4.36Å
54A97.3Very high93.3Very high64 Ų6436.8 Ų36.853%0.52922%0.224SC..THydrogen-bonded Turntrans-57.9-24.5-178.200000114.3P35 V37 G56P35-A54 HydrophobicContact CB-CB 4.3Å; P35-A54 HydrophobicContact CG-CB 4.49Å; P35-A54 PolarHBondContact O-N 3.42Å; V37-A54 HydrophobicContact CG1-CB 3.86Å; A54-G56 VanDerWaalsContact C-N 3.31Å
55D95.7Very high92.8Very high75 Ų7539.3 Ų39.340%0.40122%0.22SC..THydrogen-bonded Turntrans-88.43.7177.475.2-22.5000113.7K30 F53 T57K30-D55 WeakPolarHBondContact CE-OD2 3.33Å; K30-D55 IonicContact NZ-OD2 2.98Å; K30-D55 PolarHBondContact NZ-OD2 3.45Å; F53-D55 WeakPolarHBondContact CB-OD1 3.2Å; F53-D55 PolarHBondContact O-N 2.9Å; F53-D55 VanDerWaalsContact O-N 3.1Å; D55-T57 VanDerWaalsContact C-N 3.32Å; D55-T57 VanDerWaalsContact CG-OG1 3.32Å; D55-T57 PolarHBondContact O-N 3.36Å; D55-T57 WeakPolarHBondContact OD1-CB 3.39Å; D55-T57 PolarHBondContact OD1-N 2.69Å; D55-T57 PolarHBondContact OD1-OG1 3.41Å; D55-T57 VanDerWaalsContact OD2-CG2 3.31Å; D55-T57 WeakPolarHBondContact OD2-CG2 3.43Å; D55-T57 PolarHBondContact OD2-OG1 2.79Å
56G97Very high92.8Very high47 Ų4737.7 Ų37.749%0.48522%0.218SC..SBendtrans84.8-7.4-179.200000115.2F53 A54F53-G56 PolarHBondContact O-N 2.87Å; A54-G56 VanDerWaalsContact C-N 3.31Å
57T97.3Very high93Very high52 Ų5233.3 Ų33.332%0.31921%0.205SC..  trans-70.3159.8173.163.20000110.9T52 F53 D55T52-T57 WeakPolarHBondContact CA-O 3.47Å; F53-T57 WeakPolarHBondContact CD2-OG1 3.2Å; F53-T57 PolarHBondContact N-O 3.04Å; D55-T57 VanDerWaalsContact C-N 3.32Å; D55-T57 VanDerWaalsContact CG-OG1 3.32Å; D55-T57 PolarHBondContact O-N 3.36Å; D55-T57 WeakPolarHBondContact OD1-CB 3.39Å; D55-T57 PolarHBondContact OD1-N 2.69Å; D55-T57 PolarHBondContact OD1-OG1 3.41Å; D55-T57 VanDerWaalsContact OD2-CG2 3.31Å; D55-T57 WeakPolarHBondContact OD2-CG2 3.43Å; D55-T57 PolarHBondContact OD2-OG1 2.79Å
58K98.3Very high93.2Very high76 Ų7634.1 Ų34.133%0.3321%0.206SC..EExtended strand (participates in β ladder)trans-127.9152.1-171.5-63.5-171-178.1-167.50112.5L50 A51 T52 W126L50-K58 HydrophobicContact CD1-CB 4.07Å; L50-K58 HydrophobicContact CD1-CD 4.22Å; L50-K58 HydrophobicContact CD2-CD 4.06Å; L50-K58 HydrophobicContact CG-CD 4.25Å; A51-K58 WeakPolarHBondContact O-CA 3.26Å; A51-K58 WeakPolarHBondContact O-CB 3.34Å; T52-K58 HydrophobicContact CG2-CG 4.41Å; K58-W126 HydrophobicContact CB-CB 3.6Å; K58-W126 HydrophobicContact CB-CG 3.92Å; K58-W126 WeakPolarHBondContact O-CB 3.07Å; K58-W126 PolarHBondContact O-N 2.67Å; K58-W126 VanDerWaalsContact O-N 3.07Å
59A98.3Very high93.1Very high0 Ų034.4 Ų34.40%021%0.207CC..EExtended strand (participates in β ladder)trans-142.1145.9173.600000110.7W27 A51 F53 V61 L123 T124W27-A59 HydrophobicContact CH2-CB 4.33Å; W27-A59 HydrophobicContact CZ2-CB 4.08Å; A51-A59 PolarHBondContact N-O 3.39Å; A51-A59 PolarHBondContact O-N 2.96Å; F53-A59 HydrophobicContact CE2-CB 3.68Å; F53-A59 HydrophobicContact CZ-CB 3.86Å; A59-V61 PolarHBondContact O-N 3.49Å; A59-L123 HydrophobicContact CB-CB 4.42Å; A59-L123 HydrophobicContact CB-CD2 4.15Å; A59-T124 CarbonylContact C-O 3.52Å; A59-T124 VanDerWaalsContact CA-O 3.26Å; A59-T124 WeakPolarHBondContact CA-O 3.46Å; A59-T124 WeakPolarHBondContact CB-O 3.29Å
60C97.4Very high93.1Very high14 Ų1434.4 Ų34.410%0.09521%0.207CC..EExtended strand (participates in β ladder)trans-77.2117.7162.7-78.60000110C43 L123 T124 W126C43-C60 HydrophobicContact CB-CB 3.64Å; C43-C60 WeakPolarHBondContact CB-SG 3.34Å; C43-C60 WeakPolarHBondContact SG-CA 3.11Å; C43-C60 WeakPolarHBondContact SG-CB 3.34Å; C43-C60 CovalentContact SG-SG 2.04Å; C43-C60 PolarHBondContact SG-SG 3.44Å; C60-L123 WeakPolarHBondContact O-CA 3.18Å; C60-T124 PolarHBondContact N-O 2.93Å; C60-T124 PolarHBondContact O-N 3.43Å; C60-W126 VanDerWaalsContact SG-CE3 3.57Å
61V96.7Very high93Very high0 Ų034.6 Ų34.60%021%0.208CC..EExtended strand (participates in β ladder)trans-88.4120.3169.2-164.10000108.3L39 N48 Q49 A51 A59 W103 W115 V121 S122 L123L39-V61 HydrophobicContact CD2-CG2 3.8Å; N48-V61 CarbonylContact C-O 3.53Å; N48-V61 WeakPolarHBondContact CA-O 3.39Å; Q49-V61 PolarHBondContact N-O 3.35Å; Q49-V61 WeakPolarHBondContact O-CA 3.33Å; Q49-V61 WeakPolarHBondContact O-CB 3.47Å; Q49-V61 PolarHBondContact O-N 3.47Å; A51-V61 HydrophobicContact CB-CG2 3.44Å; A51-V61 VanDerWaalsContact CB-CG2 3.44Å; A59-V61 PolarHBondContact O-N 3.49Å; V61-W103 HydrophobicContact CG1-CH2 3.8Å; V61-W103 HydrophobicContact CG1-CZ3 4.46Å; V61-W103 HydrophobicContact CG2-CH2 4.1Å; V61-W115 HydrophobicContact CB-CH2 4.04Å; V61-W115 HydrophobicContact CG1-CH2 3.63Å; V61-W115 HydrophobicContact CG1-CZ3 3.96Å; V61-V121 HydrophobicContact CG1-CB 3.93Å; V61-V121 HydrophobicContact CG1-CG1 4.42Å; V61-V121 HydrophobicContact CG1-CG2 3.71Å; V61-S122 CarbonylContact C-O 3.46Å; V61-S122 VanDerWaalsContact CA-O 3.31Å; V61-S122 WeakPolarHBondContact CA-O 3.46Å; V61-L123 HydrophobicContact CB-CD2 4.37Å; V61-L123 HydrophobicContact CG1-CD2 4.35Å; V61-L123 HydrophobicContact CG2-CD2 3.72Å
62R94.6Very high92.9Very high10 Ų1034.6 Ų34.64%0.03821%0.208CC..EExtended strand (participates in β ladder)trans-112.4115172.4-63.4168.6170.6167.533.9110.1N48 E73 V121 S122 D216 E218N48-R62 HydrophobicContact CB-CG 4.42Å; N48-R62 WeakPolarHBondContact OD1-CA 3.39Å; R62-E73 VanDerWaalsContact CD-CD 3.49Å; R62-E73 WeakPolarHBondContact CD-OE1 3.4Å; R62-E73 WeakPolarHBondContact CD-OE2 3.37Å; R62-E73 IonicContact CZ-OE1 3.69Å; R62-E73 IonicContact CZ-OE2 3.15Å; R62-E73 IonicContact NE-OE1 3.75Å; R62-E73 IonicContact NE-OE2 3.61Å; R62-E73 IonicContact NH1-OE1 3.96Å; R62-E73 PolarHBondContact NH1-OE1 3.13Å; R62-E73 IonicContact NH1-OE2 3.65Å; R62-E73 PolarHBondContact NH1-OE2 2.65Å; R62-E73 IonicContact NH2-OE1 3.53Å; R62-E73 PolarHBondContact NH2-OE1 3.48Å; R62-V121 WeakPolarHBondContact O-CA 3.46Å; R62-V121 WeakPolarHBondContact O-CB 3.33Å; R62-S122 WeakPolarHBondContact CB-OG 3.34Å; R62-S122 PolarHBondContact N-O 3.25Å; R62-S122 PolarHBondContact O-N 3.35Å; R62-S122 VanDerWaalsContact O-N 3.11Å; R62-D216 IonicContact CZ-OD1 2.83Å; R62-D216 IonicContact NE-OD1 2.82Å; R62-D216 VanDerWaalsContact NH1-CA 3.26Å; R62-D216 IonicContact NH1-OD1 2.97Å; R62-E218 WeakPolarHBondContact CB-OE1 3.42Å; R62-E218 WeakPolarHBondContact CD-OE1 3.01Å; R62-E218 VanDerWaalsContact CG-OE1 3.3Å; R62-E218 WeakPolarHBondContact CG-OE1 3.33Å; R62-E218 IonicContact NE-OE1 2.69Å
63Y90.9Very high92.8Very high49 Ų4933.9 Ų33.919%0.19220%0.203CC..  trans-84-23.4170.4-177.6-99.2000110.8N48 L96 W115 S116 A119 V121N48-Y63 PolarHBondContact OD1-N 2.93Å; Y63-L96 HydrophobicContact CD2-CD1 4.16Å; Y63-L96 HydrophobicContact CE2-CD1 4.28Å; Y63-W115 AromaticContact CD1-CD1 3.76Å; Y63-W115 HydrophobicContact CD1-CG 4.43Å; Y63-W115 AromaticContact CD1-NE1 3.91Å; Y63-W115 HydrophobicContact CD2-CB 3.91Å; Y63-W115 AromaticContact CD2-CD1 3.71Å; Y63-W115 AromaticContact CD2-CD2 3.87Å; Y63-W115 HydrophobicContact CD2-CD2 3.87Å; Y63-W115 AromaticContact CD2-CG 3.57Å; Y63-W115 HydrophobicContact CD2-CG 3.57Å; Y63-W115 HydrophobicContact CE2-CB 3.63Å; Y63-W115 AromaticContact CE2-CD1 3.98Å; Y63-W115 AromaticContact CE2-CG 3.78Å; Y63-W115 HydrophobicContact CE2-CG 3.78Å; Y63-W115 AromaticContact CG-CD1 3.59Å; Y63-W115 HydrophobicContact CG-CD2 4.14Å; Y63-W115 AromaticContact CG-CE2 3.95Å; Y63-W115 AromaticContact CG-CG 3.93Å; Y63-W115 HydrophobicContact CG-CG 3.93Å; Y63-W115 AromaticContact CG-NE1 3.59Å; Y63-S116 PolarHBondContact OH-N 3.19Å; Y63-S116 PolarHBondContact OH-OG 3.22Å; Y63-A119 HydrophobicContact CD2-CB 4.31Å; Y63-A119 HydrophobicContact CE2-CB 3.54Å; Y63-V121 HydrophobicContact CD2-CG1 3.79Å; Y63-V121 HydrophobicContact CG-CG1 4.49Å
64G76Confident92.7Very high2 Ų233.7 Ų33.72%0.02120%0.202CC..  trans69.4176.9-174.600000112.6N48N48-G64 PolarHBondContact OD1-N 3.21Å
65I75.3Confident92.8Very high122 Ų12230.7 Ų30.763%0.62618%0.177SC*.SBendtrans-77.6-33.4163.8-60.4171.9000109Q69I65-Q69 VanDerWaalsContact CB-OE1 3.29Å
66N82.8Confident92.9Very high54 Ų5427.1 Ų27.129%0.28916%0.158SC..SBendtrans-151.7170.7177.664.318000111D68 Q69N66-D68 PolarHBondContact ND2-OD2 2.9Å; N66-D68 PolarHBondContact O-N 3.47Å; N66-D68 WeakPolarHBondContact OD1-CB 3.42Å; N66-D68 PolarHBondContact OD1-N 3.32Å; N66-Q69 PolarHBondContact O-N 3.21Å; N66-Q69 PolarHBondContact OD1-N 3.45Å
67A88.3Confident93Very high60 Ų6025.6 Ų25.650%0.49614%0.138SC..Hα-helixtrans-60.2-28.4178.900000113.2Q69 V70 Q71 L280A67-Q69 VanDerWaalsContact C-N 3.27Å; A67-Q69 PolarHBondContact O-N 2.98Å; A67-V70 PolarHBondContact O-N 3.12Å; A67-Q71 WeakPolarHBondContact O-CB 3.37Å; A67-Q71 PolarHBondContact O-N 2.86Å; A67-L280 HydrophobicContact CB-CD1 4.28Å
68D89.7Confident93Very high55 Ų5523.2 Ų23.229%0.29412%0.123SC..Hα-helixtrans-59.9-36.5178.4-56.8-16.9000112.2N66 G72 V222 R226N66-D68 PolarHBondContact ND2-OD2 2.9Å; N66-D68 PolarHBondContact O-N 3.47Å; N66-D68 WeakPolarHBondContact OD1-CB 3.42Å; N66-D68 PolarHBondContact OD1-N 3.32Å; D68-G72 PolarHBondContact O-N 3.09Å; D68-V222 HydrophobicContact CB-CB 4.48Å; D68-V222 HydrophobicContact CB-CG1 3.72Å; D68-R226 IonicContact OD2-NH1 3.08Å; D68-R226 PolarHBondContact OD2-NH1 2.98Å; D68-R226 VanDerWaalsContact OD2-NH1 3.08Å
69Q91.3Very high93Very high6 Ų619.7 Ų19.73%0.02811%0.108CC..Hα-helixtrans-71.3-40.3179.3-76.9-177.3-35.300112I65 N66 A67 G72 E73 E218I65-Q69 VanDerWaalsContact CB-OE1 3.29Å; N66-Q69 PolarHBondContact O-N 3.21Å; N66-Q69 PolarHBondContact OD1-N 3.45Å; A67-Q69 VanDerWaalsContact C-N 3.27Å; A67-Q69 PolarHBondContact O-N 2.98Å; Q69-G72 PolarHBondContact O-N 2.9Å; Q69-E73 WeakPolarHBondContact O-CB 3.15Å; Q69-E73 PolarHBondContact O-N 3.13Å; Q69-E218 HydrophobicContact CB-CB 4.05Å; Q69-E218 HydrophobicContact CB-CG 4.31Å; Q69-E218 HydrophobicContact CG-CB 4.34Å
70V95.3Very high93Very high0 Ų019.7 Ų19.70%011%0.108CC..Hα-helixtrans-65.6-41.7174.2-177.50000110.2A67 T74 L93 L280A67-V70 PolarHBondContact O-N 3.12Å; V70-T74 WeakPolarHBondContact O-CB 3.28Å; V70-T74 PolarHBondContact O-N 2.96Å; V70-T74 PolarHBondContact O-OG1 2.83Å; V70-L93 HydrophobicContact CG1-CD2 4.01Å; V70-L280 HydrophobicContact CB-CD1 4.25Å; V70-L280 HydrophobicContact CG1-CD1 4.24Å; V70-L280 HydrophobicContact CG1-CD2 4.02Å
71Q96.1Very high93Very high18 Ų1821.3 Ų21.38%0.08412%0.119CC..Hα-helixtrans-62.3-46.5173.9-170.1-173.585.300111.1A67 T74 L75 V222 L280 G281 F282A67-Q71 WeakPolarHBondContact O-CB 3.37Å; A67-Q71 PolarHBondContact O-N 2.86Å; Q71-T74 PolarHBondContact O-N 3.42Å; Q71-L75 HydrophobicContact CG-CD1 3.8Å; Q71-L75 HydrophobicContact CG-CG 4.3Å; Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 VanDerWaalsContact O-CG 3.28Å; Q71-L75 WeakPolarHBondContact O-CG 3.45Å; Q71-L75 PolarHBondContact O-N 3.33Å; Q71-V222 HydrophobicContact CB-CG2 4.21Å; Q71-V222 HydrophobicContact CG-CG2 3.94Å; Q71-L280 HydrophobicContact CB-CD1 4.18Å; Q71-L280 HydrophobicContact CB-CD2 4.17Å; Q71-L280 HydrophobicContact CB-CG 3.92Å; Q71-L280 HydrophobicContact CG-CG 4.28Å; Q71-L280 PolarHBondContact NE2-O 3.34Å; Q71-G281 PolarHBondContact NE2-O 3.01Å; Q71-F282 PolarHBondContact NE2-O 2.83Å
72G95.9Very high93.1Very high0 Ų022.5 Ų22.50%013%0.125CC..Hα-helixtrans-58.6-48.9177.700000112.3D68 Q69 T74 T76D68-G72 PolarHBondContact O-N 3.09Å; Q69-G72 PolarHBondContact O-N 2.9Å; G72-T74 PolarHBondContact O-N 2.05Å; G72-T76 WeakPolarHBondContact O-CB 3.18Å; G72-T76 PolarHBondContact O-N 3.07Å; G72-T76 PolarHBondContact O-OG1 3.38Å
73E95.8Very high93.2Very high4 Ų422 Ų222%0.01912%0.123CC..Hα-helixtrans-59-48.4176.1-177.1-172.3-166.400111.8R62 Q69 T76 Y77 L91 S122 T124 E218R62-E73 VanDerWaalsContact CD-CD 3.49Å; R62-E73 WeakPolarHBondContact CD-OE1 3.4Å; R62-E73 WeakPolarHBondContact CD-OE2 3.37Å; R62-E73 IonicContact CZ-OE1 3.69Å; R62-E73 IonicContact CZ-OE2 3.15Å; R62-E73 IonicContact NE-OE1 3.75Å; R62-E73 IonicContact NE-OE2 3.61Å; R62-E73 IonicContact NH1-OE1 3.96Å; R62-E73 PolarHBondContact NH1-OE1 3.13Å; R62-E73 IonicContact NH1-OE2 3.65Å; R62-E73 PolarHBondContact NH1-OE2 2.65Å; R62-E73 IonicContact NH2-OE1 3.53Å; R62-E73 PolarHBondContact NH2-OE1 3.48Å; Q69-E73 WeakPolarHBondContact O-CB 3.15Å; Q69-E73 PolarHBondContact O-N 3.13Å; E73-T76 WeakPolarHBondContact O-CB 3.32Å; E73-T76 PolarHBondContact O-N 2.92Å; E73-Y77 PolarHBondContact O-N 3.19Å; E73-L91 HydrophobicContact CB-CD1 4.5Å; E73-L91 VanDerWaalsContact CD-CD1 3.5Å; E73-L91 HydrophobicContact CG-CD1 3.56Å; E73-S122 WeakPolarHBondContact OE2-CB 3.37Å; E73-S122 PolarHBondContact OE2-OG 3.13Å; E73-T124 PolarHBondContact OE1-OG1 2.85Å; E73-E218 HydrophobicContact CB-CG 4.45Å
74T97.6Very high93.5Very high0 Ų020.4 Ų20.40%012%0.122CC..Hα-helixtrans-64.2-47.8-175.5-57.30000111.3V70 Q71 G72 T76 Y77 Y78 L91 L93 Y270 E274V70-T74 WeakPolarHBondContact O-CB 3.28Å; V70-T74 PolarHBondContact O-N 2.96Å; V70-T74 PolarHBondContact O-OG1 2.83Å; Q71-T74 PolarHBondContact O-N 3.42Å; G72-T74 PolarHBondContact O-N 2.05Å; T74-T76 VanDerWaalsContact C-N 3.26Å; T74-T76 PolarHBondContact O-N 2.97Å; T74-Y77 WeakPolarHBondContact O-CB 3.42Å; T74-Y77 PolarHBondContact O-N 2.74Å; T74-Y78 HydrophobicContact CG2-CD2 4.13Å; T74-Y78 HydrophobicContact CG2-CE2 3.91Å; T74-Y78 WeakPolarHBondContact O-CD2 2.78Å; T74-Y78 PolarHBondContact O-N 3Å; T74-L91 HydrophobicContact CG2-CD2 3.81Å; T74-L93 HydrophobicContact CG2-CD1 4.26Å; T74-L93 HydrophobicContact CG2-CD2 4.14Å; T74-L93 HydrophobicContact CG2-CG 4.14Å; T74-L93 VanDerWaalsContact OG1-CD2 3.29Å; T74-L93 WeakPolarHBondContact OG1-CD2 3.42Å; T74-Y270 HydrophobicContact CG2-CD2 4.11Å; T74-Y270 HydrophobicContact CG2-CE2 3.61Å; T74-E274 HydrophobicContact CG2-CG 4.17Å
75L98.4Very high94.5Very high0 Ų020.6 Ų20.60%012%0.122CC..Hα-helixtrans-67.6-30177.6-64.7178.6000112.1Q71 Y78 L79 L221 V222 Y270 F282 L283Q71-L75 HydrophobicContact CG-CD1 3.8Å; Q71-L75 HydrophobicContact CG-CG 4.3Å; Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 VanDerWaalsContact O-CG 3.28Å; Q71-L75 WeakPolarHBondContact O-CG 3.45Å; Q71-L75 PolarHBondContact O-N 3.33Å; L75-Y78 PolarHBondContact O-N 2.83Å; L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 2.9Å; L75-L221 VanDerWaalsContact C-CD1 3.43Å; L75-L221 HydrophobicContact CB-CD1 3.44Å; L75-L221 VanDerWaalsContact CB-CD1 3.44Å; L75-V222 HydrophobicContact CD1-CG2 4.35Å; L75-Y270 HydrophobicContact CD2-CD1 3.68Å; L75-Y270 HydrophobicContact CD2-CD2 4.06Å; L75-Y270 HydrophobicContact CD2-CE1 3.95Å; L75-Y270 HydrophobicContact CD2-CE2 4.32Å; L75-Y270 HydrophobicContact CD2-CG 3.7Å; L75-F282 HydrophobicContact CD1-CD2 4.1Å; L75-F282 HydrophobicContact CD1-CE2 4.33Å; L75-F282 HydrophobicContact CD2-CD2 3.67Å; L75-F282 HydrophobicContact CD2-CE2 3.69Å; L75-L283 HydrophobicContact CD1-CD2 3.49Å; L75-L283 VanDerWaalsContact CD1-CD2 3.49Å; L75-L283 HydrophobicContact CD1-CG 3.77Å
76T98.4Very high95.4Very high0 Ų016.7 Ų16.70%010%0.104CC..Hα-helixtrans-66.2-40.9174.9-63.20000110.7G72 E73 T74 Y78 L79 A80 L88 F173 T177 N217G72-T76 WeakPolarHBondContact O-CB 3.18Å; G72-T76 PolarHBondContact O-N 3.07Å; G72-T76 PolarHBondContact O-OG1 3.38Å; E73-T76 WeakPolarHBondContact O-CB 3.32Å; E73-T76 PolarHBondContact O-N 2.92Å; T74-T76 VanDerWaalsContact C-N 3.26Å; T74-T76 PolarHBondContact O-N 2.97Å; T76-Y78 PolarHBondContact O-N 2.93Å; T76-L79 PolarHBondContact O-N 2.81Å; T76-A80 PolarHBondContact O-N 3.36Å; T76-L88 HydrophobicContact CG2-CD2 4.36Å; T76-F173 HydrophobicContact CG2-CE1 3.63Å; T76-F173 HydrophobicContact CG2-CE2 4.23Å; T76-F173 HydrophobicContact CG2-CZ 3.26Å; T76-F173 WeakPolarHBondContact O-CZ 3.49Å; T76-T177 HydrophobicContact CG2-CG2 3.79Å; T76-N217 HydrophobicContact CG2-CB 3.72Å
77Y98.3Very high96.1Very high15 Ų1514.4 Ų14.46%0.0599%0.092CC..Hα-helixtrans-57.4-46.7172172.1-103.4000112.8R28 E73 T74 A80 S81 L88 P89 L91R28-Y77 PolarHBondContact NH1-OH 2.9Å; E73-Y77 PolarHBondContact O-N 3.19Å; T74-Y77 WeakPolarHBondContact O-CB 3.42Å; T74-Y77 PolarHBondContact O-N 2.74Å; Y77-A80 WeakPolarHBondContact O-CB 3.31Å; Y77-A80 PolarHBondContact O-N 2.74Å; Y77-S81 PolarHBondContact O-N 3.2Å; Y77-S81 PolarHBondContact O-OG 2.88Å; Y77-L88 HydrophobicContact CD2-CB 4.1Å; Y77-P89 WeakPolarHBondContact CD2-O 3.47Å; Y77-P89 WeakPolarHBondContact CE2-O 3.29Å; Y77-L91 HydrophobicContact CD1-CB 4.23Å; Y77-L91 HydrophobicContact CD2-CB 4.32Å; Y77-L91 HydrophobicContact CG-CB 4.05Å
78Y98.3Very high96.5Very high3 Ų311.9 Ų11.91%0.0127%0.07CC..Hα-helixtrans-71.1-33.9178.8-73.3-66.1000113.2T74 L75 T76 A80 S81 L82 L269 Y270 N273 E274T74-Y78 HydrophobicContact CG2-CD2 4.13Å; T74-Y78 HydrophobicContact CG2-CE2 3.91Å; T74-Y78 WeakPolarHBondContact O-CD2 2.78Å; T74-Y78 PolarHBondContact O-N 3Å; L75-Y78 PolarHBondContact O-N 2.83Å; T76-Y78 PolarHBondContact O-N 2.93Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; Y78-S81 WeakPolarHBondContact O-CB 3.24Å; Y78-S81 PolarHBondContact O-N 3.34Å; Y78-L82 PolarHBondContact O-N 3.42Å; Y78-L269 HydrophobicContact CD1-CD2 3.96Å; Y78-L269 HydrophobicContact CD1-CG 3.81Å; Y78-L269 WeakPolarHBondContact O-CD2 3.35Å; Y78-Y270 AromaticContact CD2-CD2 3.8Å; Y78-Y270 HydrophobicContact CD2-CD2 3.8Å; Y78-Y270 HydrophobicContact CD2-CG 4.48Å; Y78-Y270 AromaticContact CE2-CD2 3.89Å; Y78-Y270 HydrophobicContact CE2-CD2 3.89Å; Y78-N273 HydrophobicContact CE1-CB 3.48Å; Y78-N273 VanDerWaalsContact CE1-CB 3.48Å; Y78-N273 VanDerWaalsContact OH-CB 3.27Å; Y78-N273 WeakPolarHBondContact OH-CB 3.41Å; Y78-E274 HydrophobicContact CE2-CG 3.4Å; Y78-E274 VanDerWaalsContact OH-CD 3.26Å; Y78-E274 VanDerWaalsContact OH-CG 3.31Å; Y78-E274 WeakPolarHBondContact OH-CG 3.23Å; Y78-E274 PolarHBondContact OH-OE1 3.26Å
79L98.8Very high96.9Very high2 Ų29.4 Ų9.41%0.016%0.057CC..Hα-helixtrans-63.5-40.5172.4-17960.8000111.5L75 T76 S81 L82 L83 F173 L176 T177 L221 L266 L291L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 2.9Å; T76-L79 PolarHBondContact O-N 2.81Å; L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 3.08Å; L79-L82 WeakPolarHBondContact O-CB 3.3Å; L79-L82 PolarHBondContact O-N 2.99Å; L79-L83 HydrophobicContact CD1-CD1 4.17Å; L79-L83 HydrophobicContact CD1-CG 4.31Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.27Å; L79-L83 PolarHBondContact O-N 3.21Å; L79-F173 HydrophobicContact CG-CE2 4.39Å; L79-L176 HydrophobicContact CD2-CB 4.46Å; L79-T177 HydrophobicContact CD2-CG2 3.8Å; L79-L221 HydrophobicContact CD2-CD2 4.15Å; L79-L266 HydrophobicContact CB-CD1 4.21Å; L79-L291 HydrophobicContact CD2-CD1 3.88Å
80A98.3Very high97.2Very high0 Ų09.1 Ų9.10%06%0.056CC..Hα-helixtrans-59.3-42.4174.300000111.6T76 Y77 Y78 L82 L83 G84 I85 L88 F173T76-A80 PolarHBondContact O-N 3.36Å; Y77-A80 WeakPolarHBondContact O-CB 3.31Å; Y77-A80 PolarHBondContact O-N 2.74Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; A80-L82 PolarHBondContact O-N 2.87Å; A80-L83 CarbonylContact O-C 3.5Å; A80-L83 PolarHBondContact O-N 2.95Å; A80-L83 VanDerWaalsContact O-N 3.14Å; A80-G84 PolarHBondContact O-N 3.15Å; A80-I85 HydrophobicContact CB-CB 4.18Å; A80-I85 HydrophobicContact CB-CG2 4.46Å; A80-I85 PolarHBondContact O-N 2.7Å; A80-L88 HydrophobicContact CB-CD1 3.56Å; A80-L88 HydrophobicContact CB-CD2 3.86Å; A80-L88 HydrophobicContact CB-CG 4.24Å; A80-F173 HydrophobicContact CB-CE2 3.66Å; A80-F173 HydrophobicContact CB-CZ 3.67Å
81S96.8Very high97.3Very high48 Ų489.3 Ų9.334%0.3366%0.057SC..Hα-helixtrans-61.9-42.4176.2-59.50000112Y77 Y78 L79 L83 G84 R252Y77-S81 PolarHBondContact O-N 3.2Å; Y77-S81 PolarHBondContact O-OG 2.88Å; Y78-S81 WeakPolarHBondContact O-CB 3.24Å; Y78-S81 PolarHBondContact O-N 3.34Å; L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 3.08Å; S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.07Å; S81-G84 PolarHBondContact O-N 3.09Å; S81-G84 VanDerWaalsContact O-N 3.14Å; S81-R252 PolarHBondContact O-NH1 3.17Å
82L97.4Very high97.4Very high24 Ų248.4 Ų8.413%0.1265%0.053CC..Hα-helixtrans-61.2-37172.9-75.8-179.5000112.8Y78 L79 A80 G84 R252 R265 L266 L269Y78-L82 PolarHBondContact O-N 3.42Å; L79-L82 WeakPolarHBondContact O-CB 3.3Å; L79-L82 PolarHBondContact O-N 2.99Å; A80-L82 PolarHBondContact O-N 2.87Å; L82-G84 VanDerWaalsContact C-N 3.29Å; L82-R252 VanDerWaalsContact O-CD 3.32Å; L82-R252 WeakPolarHBondContact O-CD 3.36Å; L82-R252 PolarHBondContact O-NH1 2.91Å; L82-R265 HydrophobicContact CD1-CB 4.25Å; L82-R265 HydrophobicContact CD2-CB 4.35Å; L82-L266 HydrophobicContact CD1-CB 3.87Å; L82-L266 HydrophobicContact CD1-CD1 4.02Å; L82-L269 HydrophobicContact CD2-CB 4.46Å; L82-L269 HydrophobicContact CD2-CD2 3.81Å; L82-L269 HydrophobicContact CG-CD2 3.72Å
83L98.1Very high97.4Very high0 Ų08.7 Ų8.70%05%0.054CC..Hα-helixtrans-82.1-4.9178.2-64.7169.3000113.3L79 A80 S81 I85 F173 L176 T249 R252 V253 L256L79-L83 HydrophobicContact CD1-CD1 4.17Å; L79-L83 HydrophobicContact CD1-CG 4.31Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.27Å; L79-L83 PolarHBondContact O-N 3.21Å; A80-L83 CarbonylContact O-C 3.5Å; A80-L83 PolarHBondContact O-N 2.95Å; A80-L83 VanDerWaalsContact O-N 3.14Å; S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.07Å; L83-I85 VanDerWaalsContact C-N 3.28Å; L83-I85 HydrophobicContact CB-CD1 4.01Å; L83-I85 HydrophobicContact CB-CG1 4.08Å; L83-I85 HydrophobicContact CD1-CD1 4.27Å; L83-F173 HydrophobicContact CD1-CD2 3.89Å; L83-F173 HydrophobicContact CD1-CE2 4.39Å; L83-L176 HydrophobicContact CD1-CD1 3.63Å; L83-L176 HydrophobicContact CD2-CD1 4.12Å; L83-T249 HydrophobicContact CB-CG2 4.47Å; L83-R252 WeakPolarHBondContact O-CD 3.43Å; L83-V253 HydrophobicContact CD2-CG2 3.73Å; L83-L256 HydrophobicContact CD2-CD1 4.08Å
84G96.3Very high97.4Very high16 Ų168.7 Ų8.717%0.1656%0.055CC..THydrogen-bonded Turntrans66.731-177.100000112.7A80 S81 L82 R246A80-G84 PolarHBondContact O-N 3.15Å; S81-G84 PolarHBondContact O-N 3.09Å; S81-G84 VanDerWaalsContact O-N 3.14Å; L82-G84 VanDerWaalsContact C-N 3.29Å; G84-R246 PolarHBondContact O-NH1 2.75Å; G84-R246 PolarHBondContact O-NH2 3.37Å
85I97.3Very high97.3Very high5 Ų510.7 Ų10.73%0.0266%0.064CC..  trans-96116.8174.7-64.8174.2000107.8A80 L83 N87 L88 D169 F173 F214 T249A80-I85 HydrophobicContact CB-CB 4.18Å; A80-I85 HydrophobicContact CB-CG2 4.46Å; A80-I85 PolarHBondContact O-N 2.7Å; L83-I85 VanDerWaalsContact C-N 3.28Å; L83-I85 HydrophobicContact CB-CD1 4.01Å; L83-I85 HydrophobicContact CB-CG1 4.08Å; L83-I85 HydrophobicContact CD1-CD1 4.27Å; I85-N87 HydrophobicContact CG2-CB 4.2Å; I85-L88 HydrophobicContact CG2-CD1 4.09Å; I85-D169 HydrophobicContact CD1-CB 4.34Å; I85-D169 HydrophobicContact CG1-CB 4.49Å; I85-F173 HydrophobicContact CD1-CB 3.86Å; I85-F173 HydrophobicContact CD1-CD2 3.98Å; I85-F173 HydrophobicContact CD1-CG 4.1Å; I85-F214 HydrophobicContact CG2-CD2 4.34Å; I85-F214 HydrophobicContact CG2-CE2 3.82Å; I85-T249 HydrophobicContact CD1-CG2 4.19Å; I85-T249 HydrophobicContact CG1-CG2 4.26Å
86T95Very high97Very high40 Ų4010.9 Ų10.925%0.2457%0.065CC..  trans-107.722.1-172.662.70000112.8V17 F19V17-T86 HydrophobicContact CG1-CG2 3.98Å; F19-T86 VanDerWaalsContact CD2-O 3.31Å; F19-T86 WeakPolarHBondContact CD2-O 3.14Å; F19-T86 PolarHBondContact N-O 3.32Å
87N96.8Very high96.4Very high6 Ų612.9 Ų12.93%0.0328%0.077CC..  trans-88.8-6-177.5-65.282.6000113.2I85 Q166 L212 V213 F214I85-N87 HydrophobicContact CG2-CB 4.2Å; N87-Q166 PolarHBondContact ND2-OE1 2.97Å; N87-Q166 VanDerWaalsContact ND2-OE1 3.09Å; N87-L212 PolarHBondContact ND2-O 2.91Å; N87-V213 WeakPolarHBondContact O-CA 2.97Å; N87-F214 HydrophobicContact CB-CD1 3.9Å; N87-F214 HydrophobicContact CB-CD2 3.92Å; N87-F214 HydrophobicContact CB-CE1 3.79Å; N87-F214 HydrophobicContact CB-CE2 3.81Å; N87-F214 HydrophobicContact CB-CG 3.94Å; N87-F214 HydrophobicContact CB-CZ 3.72Å; N87-F214 PolarHBondContact O-N 2.89Å
88L97.4Very high95Very high7 Ų713.2 Ų13.24%0.0379%0.085CC..SBendtrans-95.4128.6178.9-72.574.7000109.9F19 T76 Y77 A80 I85 F173 F214F19-L88 WeakPolarHBondContact CD2-O 3.31Å; F19-L88 VanDerWaalsContact CE2-C 3.49Å; T76-L88 HydrophobicContact CG2-CD2 4.36Å; Y77-L88 HydrophobicContact CD2-CB 4.1Å; A80-L88 HydrophobicContact CB-CD1 3.56Å; A80-L88 HydrophobicContact CB-CD2 3.86Å; A80-L88 HydrophobicContact CB-CG 4.24Å; I85-L88 HydrophobicContact CG2-CD1 4.09Å; L88-F173 HydrophobicContact CD1-CE1 3.99Å; L88-F173 HydrophobicContact CD1-CZ 4.15Å; L88-F173 HydrophobicContact CD2-CE1 4.03Å; L88-F173 HydrophobicContact CD2-CZ 3.85Å; L88-F214 HydrophobicContact CD1-CB 3.88Å; L88-F214 HydrophobicContact CD1-CD2 3.55Å; L88-F214 HydrophobicContact CD1-CE2 4.43Å; L88-F214 HydrophobicContact CD1-CG 4.11Å; L88-F214 HydrophobicContact CG-CB 3.95Å
89P97.5Very high94Very high4 Ų420.2 Ų20.23%0.02612%0.122CC..PPolyproline II helixtrans-58.2150.3172.1-17.529.1000111.4F19 Y77 T124 E125 I127 V213 I215F19-P89 HydrophobicContact CE1-CB 4.21Å; F19-P89 HydrophobicContact CE2-CB 4.04Å; F19-P89 HydrophobicContact CE2-CG 3.93Å; F19-P89 VanDerWaalsContact CE2-N 3.31Å; F19-P89 VanDerWaalsContact CZ-CA 3.49Å; F19-P89 HydrophobicContact CZ-CB 3.73Å; F19-P89 HydrophobicContact CZ-CG 3.84Å; Y77-P89 WeakPolarHBondContact CD2-O 3.47Å; Y77-P89 WeakPolarHBondContact CE2-O 3.29Å; P89-T124 HydrophobicContact CB-CG2 3.87Å; P89-T124 HydrophobicContact CG-CG2 4.24Å; P89-E125 HydrophobicContact CB-CB 4.07Å; P89-I127 HydrophobicContact CG-CG1 4.29Å; P89-V213 HydrophobicContact CG-CG1 3.74Å; P89-I215 HydrophobicContact CG-CG2 4.44Å
90P97.6Very high93.4Very high0 Ų021.6 Ų21.60%013%0.132CC..PPolyproline II helixtrans-59.9144.517626.6-33.9000110.8F19 Y23 A24 W27 R28 T124 E125F19-P90 VanDerWaalsContact CD1-CD 3.49Å; Y23-P90 HydrophobicContact CE1-CG 4.26Å; A24-P90 HydrophobicContact CB-CB 3.9Å; W27-P90 HydrophobicContact CB-CB 4.36Å; W27-P90 HydrophobicContact CB-CG 3.92Å; W27-P90 HydrophobicContact CD2-CB 4.17Å; W27-P90 HydrophobicContact CD2-CG 3.71Å; W27-P90 HydrophobicContact CE3-CB 3.7Å; W27-P90 HydrophobicContact CE3-CG 3.75Å; W27-P90 HydrophobicContact CG-CB 4.44Å; W27-P90 HydrophobicContact CG-CG 3.76Å; W27-P90 HydrophobicContact CZ3-CB 4.37Å; W27-P90 WeakPolarHBondContact CZ3-O 3.49Å; R28-P90 HydrophobicContact CG-CB 4.36Å; P90-T124 WeakPolarHBondContact O-CA 3.49Å; P90-E125 VanDerWaalsContact CD-OE2 3.24Å; P90-E125 WeakPolarHBondContact CD-OE2 3.04Å; P90-E125 HydrophobicContact CG-CB 3.86Å; P90-E125 VanDerWaalsContact CG-OE2 3.3Å; P90-E125 WeakPolarHBondContact CG-OE2 3.29Å; P90-E125 PolarHBondContact O-N 2.75Å
91L97.2Very high93.1Very high3 Ų325.1 Ų25.12%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-129.3145.4-176.5176.3155.1000109.5R28 E73 T74 Y77 L123 T124R28-L91 WeakPolarHBondContact CD-O 2.91Å; R28-L91 WeakPolarHBondContact CG-O 3.07Å; E73-L91 HydrophobicContact CB-CD1 4.5Å; E73-L91 VanDerWaalsContact CD-CD1 3.5Å; E73-L91 HydrophobicContact CG-CD1 3.56Å; T74-L91 HydrophobicContact CG2-CD2 3.81Å; Y77-L91 HydrophobicContact CD1-CB 4.23Å; Y77-L91 HydrophobicContact CD2-CB 4.32Å; Y77-L91 HydrophobicContact CG-CB 4.05Å; L91-L123 CarbonylContact C-O 3Å; L91-L123 VanDerWaalsContact CA-O 3.28Å; L91-L123 WeakPolarHBondContact CA-O 3.39Å; L91-T124 WeakPolarHBondContact CD1-OG1 3.38Å
92V97.5Very high93Very high0 Ų023.5 Ų23.50%015%0.149CC..EExtended strand (participates in β ladder)trans-134.1154.4164.4-61.60000111.2W27 R28 A31 R32 S122 L123W27-V92 HydrophobicContact CZ3-CG1 4.27Å; W27-V92 HydrophobicContact CZ3-CG2 4.28Å; R28-V92 VanDerWaalsContact CA-CG1 3.41Å; R28-V92 HydrophobicContact CB-CG1 3.32Å; R28-V92 HydrophobicContact CG-CG1 3.36Å; A31-V92 HydrophobicContact CB-CG2 3.89Å; R32-V92 HydrophobicContact CG-CB 4.03Å; R32-V92 HydrophobicContact CG-CG1 4.04Å; R32-V92 HydrophobicContact CG-CG2 4.16Å; V92-S122 CarbonylContact O-C 3.45Å; V92-S122 WeakPolarHBondContact O-CA 3.33Å; V92-L123 HydrophobicContact CG2-CB 3.72Å; V92-L123 HydrophobicContact CG2-CD1 3.9Å; V92-L123 HydrophobicContact CG2-CG 4.4Å; V92-L123 PolarHBondContact N-O 3.48Å; V92-L123 PolarHBondContact O-N 2.88Å
93L97.3Very high92.9Very high6 Ų622.7 Ų22.73%0.03114%0.144CC..EExtended strand (participates in β ladder)trans-84.1146.9164.8-63.3-179.2000111.5V70 T74 V120 V121 Y270 E274 L276 L280V70-L93 HydrophobicContact CG1-CD2 4.01Å; T74-L93 HydrophobicContact CG2-CD1 4.26Å; T74-L93 HydrophobicContact CG2-CD2 4.14Å; T74-L93 HydrophobicContact CG2-CG 4.14Å; T74-L93 VanDerWaalsContact OG1-CD2 3.29Å; T74-L93 WeakPolarHBondContact OG1-CD2 3.42Å; L93-V120 HydrophobicContact CB-CG1 4.12Å; L93-V120 HydrophobicContact CD1-CG1 4.26Å; L93-V120 HydrophobicContact CD2-CG1 3.99Å; L93-V120 HydrophobicContact CG-CG1 4.36Å; L93-V121 WeakPolarHBondContact CA-O 3.43Å; L93-Y270 HydrophobicContact CD1-CE2 4.31Å; L93-E274 HydrophobicContact CD1-CB 4.21Å; L93-E274 HydrophobicContact CD1-CG 4.32Å; L93-E274 HydrophobicContact CG-CG 4.35Å; L93-E274 PolarHBondContact N-OE2 3.01Å; L93-E274 VanDerWaalsContact N-OE2 3.1Å; L93-L276 HydrophobicContact CB-CB 3.89Å; L93-L276 HydrophobicContact CB-CD1 3.97Å; L93-L276 HydrophobicContact CB-CG 4.45Å; L93-L276 HydrophobicContact CD1-CB 3.96Å; L93-L280 HydrophobicContact CD1-CB 4.19Å; L93-L280 HydrophobicContact CD1-CD2 3.59Å; L93-L280 HydrophobicContact CD2-CD2 3.67Å; L93-L280 HydrophobicContact CG-CD2 4.28Å
94S96.2Very high92.8Very high4 Ų426.6 Ų26.63%0.02817%0.168CC..EExtended strand (participates in β ladder)trans-139.8142.2171.71640000110.5Q102 W103 V120 V121 L276S94-Q102 PolarHBondContact OG-OE1 3.33Å; S94-W103 VanDerWaalsContact OG-CE2 3.31Å; S94-W103 VanDerWaalsContact OG-CZ2 3.27Å; S94-W103 WeakPolarHBondContact OG-CZ2 3.48Å; S94-W103 PolarHBondContact OG-NE1 3.05Å; S94-V120 WeakPolarHBondContact O-CA 3.39Å; S94-V121 PolarHBondContact N-O 3.29Å; S94-V121 WeakPolarHBondContact O-CG2 3.19Å; S94-V121 PolarHBondContact O-N 3.39Å; S94-L276 VanDerWaalsContact C-CD1 3.48Å
95Q94.9Very high92.7Very high41 Ų4129.2 Ų29.219%0.19219%0.188CC..EExtended strand (participates in β ladder)trans-99.4126.5174.7-170.5171.963.800110.5T97 R118 L276Q95-T97 HydrophobicContact CG-CG2 4.16Å; Q95-T97 PolarHBondContact O-N 3.26Å; Q95-T97 VanDerWaalsContact O-N 3.1Å; Q95-R118 HydrophobicContact CG-CB 4.44Å; Q95-R118 WeakPolarHBondContact CG-O 3.41Å; Q95-R118 PolarHBondContact NE2-O 2.81Å; Q95-R118 VanDerWaalsContact NE2-O 3.12Å; Q95-L276 HydrophobicContact CB-CD1 3.92Å; Q95-L276 HydrophobicContact CB-CD2 4.32Å
96L92.9Very high92.7Very high5 Ų529.4 Ų29.43%0.02619%0.189CC..  trans-70.9103.6173.4-60.9177.6000108.9Y63 W103 V110 W115 R118 A119 V121Y63-L96 HydrophobicContact CD2-CD1 4.16Å; Y63-L96 HydrophobicContact CE2-CD1 4.28Å; L96-W103 HydrophobicContact CD2-CD2 3.53Å; L96-W103 HydrophobicContact CD2-CE3 3.69Å; L96-W103 HydrophobicContact CD2-CG 4.11Å; L96-W103 HydrophobicContact CD2-CH2 4Å; L96-W103 HydrophobicContact CD2-CZ2 3.86Å; L96-W103 HydrophobicContact CD2-CZ3 3.91Å; L96-V110 HydrophobicContact CD1-CG1 4.42Å; L96-W115 HydrophobicContact CD1-CB 3.73Å; L96-W115 HydrophobicContact CD1-CD2 4.04Å; L96-W115 HydrophobicContact CD1-CE3 3.45Å; L96-W115 VanDerWaalsContact CD1-CE3 3.45Å; L96-W115 HydrophobicContact CD1-CG 4.22Å; L96-W115 HydrophobicContact CD1-CZ3 4.31Å; L96-W115 HydrophobicContact CD2-CE3 4.02Å; L96-W115 HydrophobicContact CD2-CZ3 4.2Å; L96-W115 HydrophobicContact CG-CE3 4.41Å; L96-R118 WeakPolarHBondContact O-CA 3.4Å; L96-R118 PolarHBondContact O-N 2.88Å; L96-A119 HydrophobicContact CD1-CB 4.24Å; L96-A119 PolarHBondContact N-O 2.98Å; L96-V121 HydrophobicContact CD1-CG1 3.83Å; L96-V121 HydrophobicContact CD2-CG1 4.41Å; L96-V121 HydrophobicContact CD2-CG2 4.26Å; L96-V121 HydrophobicContact CG-CG1 4Å; L96-V121 HydrophobicContact CG-CG2 4.45Å
97T85.5Confident92.7Very high42 Ų4233.5 Ų33.526%0.25820%0.2SC..  trans-124.8129.4172.940.30000108.3Q95 D99 S100 R118Q95-T97 HydrophobicContact CG-CG2 4.16Å; Q95-T97 PolarHBondContact O-N 3.26Å; Q95-T97 VanDerWaalsContact O-N 3.1Å; T97-D99 PolarHBondContact O-N 3Å; T97-S100 WeakPolarHBondContact O-CB 3.39Å; T97-S100 PolarHBondContact O-N 3.09Å; T97-S100 WeakPolarHBondContact OG1-CB 3.32Å; T97-R118 HydrophobicContact CG2-CG 4.35Å
98G68.9Low92.5Very high21 Ų2138.2 Ų38.222%0.21623%0.23CC..THydrogen-bonded Turntrans-57.8-24.1-173.700000114.9
99D75.6Confident92.4Very high150 Ų15042.1 Ų42.180%0.80224%0.244SC*.THydrogen-bonded Turntrans-104.91.3-179.9-56.9-30.4000113.2T97 A101T97-D99 PolarHBondContact O-N 3Å; D99-A101 PolarHBondContact O-N 3.28Å
100S86.6Confident92.3Very high31 Ų3142.6 Ų42.622%0.21725%0.246CC..  trans-68.8130.8174.4164.70000110.4T97 Q102 W103 V104T97-S100 WeakPolarHBondContact O-CB 3.39Å; T97-S100 PolarHBondContact O-N 3.09Å; T97-S100 WeakPolarHBondContact OG1-CB 3.32Å; S100-Q102 PolarHBondContact O-N 3.45Å; S100-Q102 WeakPolarHBondContact OG-CB 3.49Å; S100-Q102 PolarHBondContact OG-N 2.95Å; S100-Q102 VanDerWaalsContact OG-N 3.11Å; S100-W103 PolarHBondContact O-N 2.92Å; S100-V104 PolarHBondContact O-N 3.49Å
101A91.8Very high92Very high75 Ų7547 Ų4762%0.6227%0.27SS*.THydrogen-bonded Turntrans-54.2-24.6173.700000112.6D99D99-A101 PolarHBondContact O-N 3.28Å
102Q95.1Very high91.9Very high14 Ų1452.5 Ų52.57%0.06530%0.299CS..THydrogen-bonded Turntrans-69.6-39.7177.3-176.5167.251.700112.9A31 R32 S34 V36 S94 S100A31-Q102 PolarHBondContact O-NE2 2.97Å; R32-Q102 PolarHBondContact O-NE2 3.02Å; S34-Q102 WeakPolarHBondContact O-CG 3.36Å; S34-Q102 PolarHBondContact O-NE2 3.42Å; V36-Q102 WeakPolarHBondContact CB-O 3.33Å; V36-Q102 HydrophobicContact CG2-CG 4.07Å; V36-Q102 PolarHBondContact N-O 3.39Å; S94-Q102 PolarHBondContact OG-OE1 3.33Å; S100-Q102 PolarHBondContact O-N 3.45Å; S100-Q102 WeakPolarHBondContact OG-CB 3.49Å; S100-Q102 PolarHBondContact OG-N 2.95Å; S100-Q102 VanDerWaalsContact OG-N 3.11Å
103W96.1Very high91.7Very high6 Ų654.1 Ų54.12%0.02331%0.308CS..THydrogen-bonded Turntrans-110.4-11.8-168-62.697.9000114.1V36 L39 V61 S94 L96 S100 A105 V106 R107 V110 W115 V121 L123V36-W103 HydrophobicContact CB-CE3 4.49Å; V36-W103 HydrophobicContact CG1-CZ3 4.49Å; V36-W103 HydrophobicContact CG2-CE3 4.4Å; V36-W103 HydrophobicContact CG2-CH2 4.31Å; V36-W103 HydrophobicContact CG2-CZ3 4.21Å; L39-W103 HydrophobicContact CD1-CE3 4.48Å; L39-W103 HydrophobicContact CD1-CZ3 4.14Å; L39-W103 HydrophobicContact CD2-CZ3 4.21Å; V61-W103 HydrophobicContact CG1-CH2 3.8Å; V61-W103 HydrophobicContact CG1-CZ3 4.46Å; V61-W103 HydrophobicContact CG2-CH2 4.1Å; S94-W103 VanDerWaalsContact OG-CE2 3.31Å; S94-W103 VanDerWaalsContact OG-CZ2 3.27Å; S94-W103 WeakPolarHBondContact OG-CZ2 3.48Å; S94-W103 PolarHBondContact OG-NE1 3.05Å; L96-W103 HydrophobicContact CD2-CD2 3.53Å; L96-W103 HydrophobicContact CD2-CE3 3.69Å; L96-W103 HydrophobicContact CD2-CG 4.11Å; L96-W103 HydrophobicContact CD2-CH2 4Å; L96-W103 HydrophobicContact CD2-CZ2 3.86Å; L96-W103 HydrophobicContact CD2-CZ3 3.91Å; S100-W103 PolarHBondContact O-N 2.92Å; W103-A105 VanDerWaalsContact C-N 3.29Å; W103-A105 PolarHBondContact O-N 2.83Å; W103-V106 HydrophobicContact CE3-CG2 3.94Å; W103-V106 CarbonylContact O-C 3.5Å; W103-V106 WeakPolarHBondContact O-CG2 3.43Å; W103-V106 PolarHBondContact O-N 3.25Å; W103-R107 PolarHBondContact O-N 3.37Å; W103-R107 VanDerWaalsContact O-N 3.13Å; W103-V110 HydrophobicContact CE3-CG2 4.35Å; W103-W115 HydrophobicContact CZ3-CZ3 4.26Å; W103-V121 HydrophobicContact CH2-CG2 4.15Å; W103-V121 HydrophobicContact CZ2-CG2 3.93Å; W103-L123 HydrophobicContact CH2-CD2 4.2Å; W103-L123 HydrophobicContact CZ2-CD1 4.45Å; W103-L123 HydrophobicContact CZ2-CD2 4.43Å
104V95.1Very high91.5Very high83 Ų8362 Ų6250%0.50334%0.344SS..G310 helixtrans-54.2-41.3-173.267.70000113.4S100 V106 R107S100-V104 PolarHBondContact O-N 3.49Å; V104-V106 PolarHBondContact O-N 2.86Å; V104-R107 WeakPolarHBondContact O-CB 3.49Å; V104-R107 PolarHBondContact O-N 3.48Å
105A95.6Very high91.3Very high71 Ų7162.4 Ų62.459%0.58735%0.346SS*.G310 helixtrans-69.1-22.1-177.700000113.4W103W103-A105 VanDerWaalsContact C-N 3.29Å; W103-A105 PolarHBondContact O-N 2.83Å
106V95.7Very high91.2Very high8 Ų863.8 Ų63.85%0.04836%0.36CS..G310 helixtrans-112.812.1-179-66.30000113V36 L39 W103 V104 T108 R109 V110V36-V106 HydrophobicContact CB-CG2 4.17Å; V36-V106 HydrophobicContact CG1-CG1 4.15Å; V36-V106 HydrophobicContact CG1-CG2 3.96Å; L39-V106 HydrophobicContact CD1-CB 3.92Å; L39-V106 HydrophobicContact CD1-CG2 3.72Å; L39-V106 HydrophobicContact CG-CB 4.06Å; L39-V106 HydrophobicContact CG-CG1 4.2Å; L39-V106 HydrophobicContact CG-CG2 4.03Å; W103-V106 HydrophobicContact CE3-CG2 3.94Å; W103-V106 CarbonylContact O-C 3.5Å; W103-V106 WeakPolarHBondContact O-CG2 3.43Å; W103-V106 PolarHBondContact O-N 3.25Å; V104-V106 PolarHBondContact O-N 2.86Å; V106-T108 VanDerWaalsContact C-N 3.3Å; V106-T108 PolarHBondContact O-N 3.14Å; V106-R109 WeakPolarHBondContact O-CA 3.49Å; V106-R109 WeakPolarHBondContact O-CB 3.12Å; V106-R109 PolarHBondContact O-N 3.49Å; V106-V110 HydrophobicContact CG2-CG2 4.35Å; V106-V110 PolarHBondContact O-N 3.43Å
107R94.6Very high91.1Very high126 Ų12669.2 Ų69.248%0.47539%0.389SS..Hα-helixtrans-52.8-43.1-177.7-176179176.8-175.10.1113.3W103 V104 R109 V110 N111W103-R107 PolarHBondContact O-N 3.37Å; W103-R107 VanDerWaalsContact O-N 3.13Å; V104-R107 WeakPolarHBondContact O-CB 3.49Å; V104-R107 PolarHBondContact O-N 3.48Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 2.87Å; R107-V110 PolarHBondContact O-N 2.86Å; R107-N111 VanDerWaalsContact O-CG 3.26Å; R107-N111 PolarHBondContact O-N 3.4Å
108T94.4Very high91.4Very high106 Ų10674.6 Ų74.665%0.6540%0.404SS*.Hα-helixtrans-60.1-39.6176.8-54.60000111.7V106 N112V106-T108 VanDerWaalsContact C-N 3.3Å; V106-T108 PolarHBondContact O-N 3.14Å; T108-N112 PolarHBondContact O-N 2.95Å; T108-N112 PolarHBondContact O-ND2 3.28Å; T108-N112 PolarHBondContact O-OD1 3.14Å
109R94.8Very high92.6Very high88 Ų8874.6 Ų74.633%0.33240%0.402SS..Hα-helixtrans-70.3-42.4177.8-179.955.1176.3-173.33.9111.4L39 V106 R107 N111 N112 L113L39-R109 HydrophobicContact CB-CB 4.5Å; L39-R109 HydrophobicContact CB-CG 3.71Å; L39-R109 HydrophobicContact CD1-CG 4.33Å; V106-R109 WeakPolarHBondContact O-CA 3.49Å; V106-R109 WeakPolarHBondContact O-CB 3.12Å; V106-R109 PolarHBondContact O-N 3.49Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 2.87Å; R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 3.21Å; R109-N112 PolarHBondContact O-N 3.01Å; R109-L113 HydrophobicContact CG-CD1 4.07Å; R109-L113 VanDerWaalsContact O-CG 3.31Å; R109-L113 WeakPolarHBondContact O-CG 3.37Å; R109-L113 PolarHBondContact O-N 3.39Å
110V94.3Very high93.6Very high14 Ų1468.5 Ų68.59%0.08537%0.37CS..Hα-helixtrans-57-46.2174.1173.30000110.8L39 L96 W103 V106 R107 N112 L113 Q114 W115L39-V110 HydrophobicContact CD1-CG2 3.76Å; L96-V110 HydrophobicContact CD1-CG1 4.42Å; W103-V110 HydrophobicContact CE3-CG2 4.35Å; V106-V110 HydrophobicContact CG2-CG2 4.35Å; V106-V110 PolarHBondContact O-N 3.43Å; R107-V110 PolarHBondContact O-N 2.86Å; V110-N112 PolarHBondContact O-N 3.02Å; V110-L113 PolarHBondContact O-N 3.29Å; V110-Q114 PolarHBondContact O-N 3.45Å; V110-W115 HydrophobicContact CG1-CB 3.95Å; V110-W115 HydrophobicContact CG1-CE3 4.08Å; V110-W115 HydrophobicContact CG2-CE3 4.11Å; V110-W115 HydrophobicContact CG2-CZ3 4.39Å; V110-W115 PolarHBondContact O-N 2.56Å
111N93.1Very high94Very high94 Ų9467 Ų6750%0.50336%0.36SS..Hα-helixtrans-62-42.6176.6-69.5-12.3000112.3R107 R109 L113 Q114R107-N111 VanDerWaalsContact O-CG 3.26Å; R107-N111 PolarHBondContact O-N 3.4Å; R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 3.21Å; N111-L113 VanDerWaalsContact C-N 3.26Å; N111-L113 PolarHBondContact O-N 3.24Å; N111-Q114 WeakPolarHBondContact O-CA 3.45Å; N111-Q114 PolarHBondContact O-N 2.58Å
112N94.2Very high94.3Very high117 Ų11763.4 Ų63.463%0.62633%0.33SS*.Hα-helixtrans-66.4-28.9177.8-70.7-12.8000112.8T108 R109 V110 Q114T108-N112 PolarHBondContact O-N 2.95Å; T108-N112 PolarHBondContact O-ND2 3.28Å; T108-N112 PolarHBondContact O-OD1 3.14Å; R109-N112 PolarHBondContact O-N 3.01Å; V110-N112 PolarHBondContact O-N 3.02Å; N112-Q114 PolarHBondContact O-N 2.95Å
113L93.2Very high94.4Very high35 Ų3562.8 Ų62.818%0.18333%0.327CS..THydrogen-bonded Turntrans-78.7-5.2172.6-68.2164.9000112.7Q49 R109 V110 N111 W115Q49-L113 HydrophobicContact CG-CD1 3.46Å; Q49-L113 VanDerWaalsContact CG-CD1 3.46Å; Q49-L113 HydrophobicContact CG-CD2 4.47Å; R109-L113 HydrophobicContact CG-CD1 4.07Å; R109-L113 VanDerWaalsContact O-CG 3.31Å; R109-L113 WeakPolarHBondContact O-CG 3.37Å; R109-L113 PolarHBondContact O-N 3.39Å; V110-L113 PolarHBondContact O-N 3.29Å; N111-L113 VanDerWaalsContact C-N 3.26Å; N111-L113 PolarHBondContact O-N 3.24Å; L113-W115 HydrophobicContact CB-CD2 4.32Å; L113-W115 HydrophobicContact CB-CG 4.13Å; L113-W115 HydrophobicContact CD1-CD2 4.37Å; L113-W115 HydrophobicContact CD1-CH2 4.35Å; L113-W115 HydrophobicContact CD1-CZ2 3.96Å; L113-W115 PolarHBondContact O-N 3.49Å
114Q92.9Very high94.5Very high170 Ų17062.9 Ų62.979%0.79433%0.328SS*.THydrogen-bonded Turntrans56.430.7-178.3-54.1-176.6-43.400113.1V110 N111 N112V110-Q114 PolarHBondContact O-N 3.45Å; N111-Q114 WeakPolarHBondContact O-CA 3.45Å; N111-Q114 PolarHBondContact O-N 2.58Å; N112-Q114 PolarHBondContact O-N 2.95Å
115W93.3Very high94.6Very high14 Ų1460 Ų605%0.05331%0.31CS..PPolyproline II helixtrans-68.3135.4172-68.3-5.3000109.6L39 S47 Q49 V61 Y63 L96 W103 V110 L113L39-W115 HydrophobicContact CD1-CZ3 4.18Å; S47-W115 WeakPolarHBondContact O-CZ2 3.2Å; S47-W115 PolarHBondContact O-NE1 3.42Å; S47-W115 VanDerWaalsContact O-NE1 3.17Å; Q49-W115 HydrophobicContact CB-CH2 4.08Å; Q49-W115 HydrophobicContact CB-CZ2 4.31Å; Q49-W115 HydrophobicContact CG-CH2 3.76Å; Q49-W115 HydrophobicContact CG-CZ2 3.62Å; V61-W115 HydrophobicContact CB-CH2 4.04Å; V61-W115 HydrophobicContact CG1-CH2 3.63Å; V61-W115 HydrophobicContact CG1-CZ3 3.96Å; Y63-W115 AromaticContact CD1-CD1 3.76Å; Y63-W115 HydrophobicContact CD1-CG 4.43Å; Y63-W115 AromaticContact CD1-NE1 3.91Å; Y63-W115 HydrophobicContact CD2-CB 3.91Å; Y63-W115 AromaticContact CD2-CD1 3.71Å; Y63-W115 AromaticContact CD2-CD2 3.87Å; Y63-W115 HydrophobicContact CD2-CD2 3.87Å; Y63-W115 AromaticContact CD2-CG 3.57Å; Y63-W115 HydrophobicContact CD2-CG 3.57Å; Y63-W115 HydrophobicContact CE2-CB 3.63Å; Y63-W115 AromaticContact CE2-CD1 3.98Å; Y63-W115 AromaticContact CE2-CG 3.78Å; Y63-W115 HydrophobicContact CE2-CG 3.78Å; Y63-W115 AromaticContact CG-CD1 3.59Å; Y63-W115 HydrophobicContact CG-CD2 4.14Å; Y63-W115 AromaticContact CG-CE2 3.95Å; Y63-W115 AromaticContact CG-CG 3.93Å; Y63-W115 HydrophobicContact CG-CG 3.93Å; Y63-W115 AromaticContact CG-NE1 3.59Å; L96-W115 HydrophobicContact CD1-CB 3.73Å; L96-W115 HydrophobicContact CD1-CD2 4.04Å; L96-W115 HydrophobicContact CD1-CE3 3.45Å; L96-W115 VanDerWaalsContact CD1-CE3 3.45Å; L96-W115 HydrophobicContact CD1-CG 4.22Å; L96-W115 HydrophobicContact CD1-CZ3 4.31Å; L96-W115 HydrophobicContact CD2-CE3 4.02Å; L96-W115 HydrophobicContact CD2-CZ3 4.2Å; L96-W115 HydrophobicContact CG-CE3 4.41Å; W103-W115 HydrophobicContact CZ3-CZ3 4.26Å; V110-W115 HydrophobicContact CG1-CB 3.95Å; V110-W115 HydrophobicContact CG1-CE3 4.08Å; V110-W115 HydrophobicContact CG2-CE3 4.11Å; V110-W115 HydrophobicContact CG2-CZ3 4.39Å; V110-W115 PolarHBondContact O-N 2.56Å; L113-W115 HydrophobicContact CB-CD2 4.32Å; L113-W115 HydrophobicContact CB-CG 4.13Å; L113-W115 HydrophobicContact CD1-CD2 4.37Å; L113-W115 HydrophobicContact CD1-CH2 4.35Å; L113-W115 HydrophobicContact CD1-CZ2 3.96Å; L113-W115 PolarHBondContact O-N 3.49Å
116S92.1Very high94.7Very high70 Ų7061.4 Ų61.449%0.4930%0.3SS..PPolyproline II helixtrans-68.7143-177.3-60.90000111.1Y63 A119Y63-S116 PolarHBondContact OH-N 3.19Å; Y63-S116 PolarHBondContact OH-OG 3.22Å; S116-A119 VanDerWaalsContact O-CB 3.27Å; S116-A119 WeakPolarHBondContact O-CB 3.32Å; S116-A119 PolarHBondContact O-N 2.95Å
117D90.6Very high94.7Very high119 Ų11962.4 Ų62.464%0.63631%0.305SS*.THydrogen-bonded Turntrans-60.6142.2169.9-170.942.6000109.9A119D117-A119 PolarHBondContact O-N 3.47Å; D117-A119 VanDerWaalsContact O-N 3.15Å
118R92.3Very high94.6Very high155 Ų15559.9 Ų59.959%0.58531%0.306SS*.THydrogen-bonded Turntrans61.78.2-174.7-52.1-168.464.5-174.7-2116.4Q95 L96 T97Q95-R118 HydrophobicContact CG-CB 4.44Å; Q95-R118 WeakPolarHBondContact CG-O 3.41Å; Q95-R118 PolarHBondContact NE2-O 2.81Å; Q95-R118 VanDerWaalsContact NE2-O 3.12Å; L96-R118 WeakPolarHBondContact O-CA 3.4Å; L96-R118 PolarHBondContact O-N 2.88Å; T97-R118 HydrophobicContact CG2-CG 4.35Å
119A93.7Very high94.6Very high20 Ų2060.9 Ų60.917%0.16531%0.308CS..  trans-61.9142.1173.300000111.1Y63 L96 S116 D117Y63-A119 HydrophobicContact CD2-CB 4.31Å; Y63-A119 HydrophobicContact CE2-CB 3.54Å; L96-A119 HydrophobicContact CD1-CB 4.24Å; L96-A119 PolarHBondContact N-O 2.98Å; S116-A119 VanDerWaalsContact O-CB 3.27Å; S116-A119 WeakPolarHBondContact O-CB 3.32Å; S116-A119 PolarHBondContact O-N 2.95Å; D117-A119 PolarHBondContact O-N 3.47Å; D117-A119 VanDerWaalsContact O-N 3.15Å
120V95.5Very high94.6Very high22 Ų2258.6 Ų58.613%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-91.7127.7174.3179.40000108.3L93 S94 L276 E279 L280L93-V120 HydrophobicContact CB-CG1 4.12Å; L93-V120 HydrophobicContact CD1-CG1 4.26Å; L93-V120 HydrophobicContact CD2-CG1 3.99Å; L93-V120 HydrophobicContact CG-CG1 4.36Å; S94-V120 WeakPolarHBondContact O-CA 3.39Å; V120-L276 HydrophobicContact CG1-CB 4.49Å; V120-L276 HydrophobicContact CG1-CD1 4.35Å; V120-E279 HydrophobicContact CG2-CB 4.1Å; V120-L280 HydrophobicContact CB-CD1 4.42Å; V120-L280 HydrophobicContact CG1-CB 4.37Å; V120-L280 HydrophobicContact CG1-CD1 4.37Å; V120-L280 HydrophobicContact CG1-CD2 4.44Å
121V96.3Very high94.8Very high0 Ų061.7 Ų61.70%032%0.321CS..EExtended strand (participates in β ladder)trans-119153176.6-58.30000109.6V61 R62 Y63 L93 S94 L96 W103V61-V121 HydrophobicContact CG1-CB 3.93Å; V61-V121 HydrophobicContact CG1-CG1 4.42Å; V61-V121 HydrophobicContact CG1-CG2 3.71Å; R62-V121 WeakPolarHBondContact O-CA 3.46Å; R62-V121 WeakPolarHBondContact O-CB 3.33Å; Y63-V121 HydrophobicContact CD2-CG1 3.79Å; Y63-V121 HydrophobicContact CG-CG1 4.49Å; L93-V121 WeakPolarHBondContact CA-O 3.43Å; S94-V121 PolarHBondContact N-O 3.29Å; S94-V121 WeakPolarHBondContact O-CG2 3.19Å; S94-V121 PolarHBondContact O-N 3.39Å; L96-V121 HydrophobicContact CD1-CG1 3.83Å; L96-V121 HydrophobicContact CD2-CG1 4.41Å; L96-V121 HydrophobicContact CD2-CG2 4.26Å; L96-V121 HydrophobicContact CG-CG1 4Å; L96-V121 HydrophobicContact CG-CG2 4.45Å; W103-V121 HydrophobicContact CH2-CG2 4.15Å; W103-V121 HydrophobicContact CZ2-CG2 3.93Å
122S96.9Very high94.9Very high0 Ų058.4 Ų58.40%031%0.309CS..EExtended strand (participates in β ladder)trans-91.9143.4167.355.50000110.3V61 R62 E73 V92V61-S122 CarbonylContact C-O 3.46Å; V61-S122 VanDerWaalsContact CA-O 3.31Å; V61-S122 WeakPolarHBondContact CA-O 3.46Å; R62-S122 WeakPolarHBondContact CB-OG 3.34Å; R62-S122 PolarHBondContact N-O 3.25Å; R62-S122 PolarHBondContact O-N 3.35Å; R62-S122 VanDerWaalsContact O-N 3.11Å; E73-S122 WeakPolarHBondContact OE2-CB 3.37Å; E73-S122 PolarHBondContact OE2-OG 3.13Å; V92-S122 CarbonylContact O-C 3.45Å; V92-S122 WeakPolarHBondContact O-CA 3.33Å
123L97.9Very high95Very high0 Ų052.9 Ų52.90%028%0.28CS..EExtended strand (participates in β ladder)trans-114.9110.4170.7-69.8162.6000107.1W27 F53 A59 C60 V61 L91 V92 W103W27-L123 HydrophobicContact CH2-CB 4.41Å; W27-L123 WeakPolarHBondContact CH2-O 3.48Å; F53-L123 HydrophobicContact CZ-CD2 4.36Å; A59-L123 HydrophobicContact CB-CB 4.42Å; A59-L123 HydrophobicContact CB-CD2 4.15Å; C60-L123 WeakPolarHBondContact O-CA 3.18Å; V61-L123 HydrophobicContact CB-CD2 4.37Å; V61-L123 HydrophobicContact CG1-CD2 4.35Å; V61-L123 HydrophobicContact CG2-CD2 3.72Å; L91-L123 CarbonylContact C-O 3Å; L91-L123 VanDerWaalsContact CA-O 3.28Å; L91-L123 WeakPolarHBondContact CA-O 3.39Å; V92-L123 HydrophobicContact CG2-CB 3.72Å; V92-L123 HydrophobicContact CG2-CD1 3.9Å; V92-L123 HydrophobicContact CG2-CG 4.4Å; V92-L123 PolarHBondContact N-O 3.48Å; V92-L123 PolarHBondContact O-N 2.88Å; W103-L123 HydrophobicContact CH2-CD2 4.2Å; W103-L123 HydrophobicContact CZ2-CD1 4.45Å; W103-L123 HydrophobicContact CZ2-CD2 4.43Å
124T97.8Very high95.1Very high8 Ų853.5 Ų53.55%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-110.3133.6178.6-59.90000109.2A59 C60 E73 P89 P90 L91 W126A59-T124 CarbonylContact C-O 3.52Å; A59-T124 VanDerWaalsContact CA-O 3.26Å; A59-T124 WeakPolarHBondContact CA-O 3.46Å; A59-T124 WeakPolarHBondContact CB-O 3.29Å; C60-T124 PolarHBondContact N-O 2.93Å; C60-T124 PolarHBondContact O-N 3.43Å; E73-T124 PolarHBondContact OE1-OG1 2.85Å; P89-T124 HydrophobicContact CB-CG2 3.87Å; P89-T124 HydrophobicContact CG-CG2 4.24Å; P90-T124 WeakPolarHBondContact O-CA 3.49Å; L91-T124 WeakPolarHBondContact CD1-OG1 3.38Å; T124-W126 PolarHBondContact O-N 2.79Å
125E97.9Very high95.3Very high24 Ų2445.4 Ų45.411%0.11225%0.247CC..EExtended strand (participates in β ladder)trans-53.7131.1-177.6-176.9174.7-153.500112.7Y23 W27 P89 P90 I127Y23-E125 VanDerWaalsContact CE1-OE2 3.27Å; Y23-E125 WeakPolarHBondContact CE1-OE2 3.41Å; Y23-E125 VanDerWaalsContact OH-CD 3.3Å; Y23-E125 PolarHBondContact OH-OE1 3.24Å; Y23-E125 PolarHBondContact OH-OE2 2.94Å; W27-E125 HydrophobicContact CD2-CB 4.14Å; W27-E125 HydrophobicContact CH2-CB 4.21Å; W27-E125 HydrophobicContact CZ2-CB 3.59Å; W27-E125 HydrophobicContact CZ2-CG 4.19Å; W27-E125 PolarHBondContact NE1-OE1 2.68Å; P89-E125 HydrophobicContact CB-CB 4.07Å; P90-E125 VanDerWaalsContact CD-OE2 3.24Å; P90-E125 WeakPolarHBondContact CD-OE2 3.04Å; P90-E125 HydrophobicContact CG-CB 3.86Å; P90-E125 VanDerWaalsContact CG-OE2 3.3Å; P90-E125 WeakPolarHBondContact CG-OE2 3.29Å; P90-E125 PolarHBondContact O-N 2.75Å; E125-I127 HydrophobicContact CG-CD1 3.84Å
126W96.9Very high95.3Very high100 Ų10045.9 Ų45.938%0.37925%0.252SS..  trans-80.5128.7173.2175-95.3000110.6G42 L50 K58 C60 T124G42-W126 WeakPolarHBondContact O-CZ3 3.23Å; L50-W126 HydrophobicContact CD1-CB 4.09Å; L50-W126 HydrophobicContact CD1-CD2 3.67Å; L50-W126 HydrophobicContact CD1-CE3 3.64Å; L50-W126 HydrophobicContact CD1-CG 3.86Å; L50-W126 HydrophobicContact CD1-CZ3 4.32Å; K58-W126 HydrophobicContact CB-CB 3.6Å; K58-W126 HydrophobicContact CB-CG 3.92Å; K58-W126 WeakPolarHBondContact O-CB 3.07Å; K58-W126 PolarHBondContact O-N 2.67Å; K58-W126 VanDerWaalsContact O-N 3.07Å; C60-W126 VanDerWaalsContact SG-CE3 3.57Å; T124-W126 PolarHBondContact O-N 2.79Å
127I95.3Very high95.2Very high29 Ų2945.5 Ų45.515%0.14925%0.253CS..  trans-113.6123179-52.2-59.8000109.3R18 F19 P89 E125 L130R18-I127 VanDerWaalsContact NH2-CG2 3.27Å; F19-I127 HydrophobicContact CE1-CD1 3.83Å; F19-I127 HydrophobicContact CZ-CD1 3.79Å; F19-I127 HydrophobicContact CZ-CG1 4.1Å; P89-I127 HydrophobicContact CG-CG1 4.29Å; E125-I127 HydrophobicContact CG-CD1 3.84Å; I127-L130 HydrophobicContact CB-CD1 3.84Å; I127-L130 HydrophobicContact CB-CG 4.15Å; I127-L130 HydrophobicContact CG2-CD1 4Å; I127-L130 HydrophobicContact CG2-CD2 3.75Å; I127-L130 HydrophobicContact CG2-CG 3.81Å
128S93.5Very high95.2Very high73 Ų7341 Ų4151%0.5123%0.23SC..SBendtrans-80.3162176.755.90000113L130S128-L130 VanDerWaalsContact C-N 3.27Å; S128-L130 PolarHBondContact O-N 3.03Å
129N94.5Very high95.1Very high127 Ų12734 Ų3468%0.67921%0.205SC*.SBendtrans60.234.5171.1-52.4-29.4000113.8P208N129-P208 HydrophobicContact CB-CG 4.25Å; N129-P208 WeakPolarHBondContact O-CD 3.25Å
130L95.7Very high95Very high40 Ų4036.9 Ų36.921%0.20921%0.211CC..  trans-84.8141.1172.9-69.2-172.7000110.8I127 S128 L205 K206 T207 V213I127-L130 HydrophobicContact CB-CD1 3.84Å; I127-L130 HydrophobicContact CB-CG 4.15Å; I127-L130 HydrophobicContact CG2-CD1 4Å; I127-L130 HydrophobicContact CG2-CD2 3.75Å; I127-L130 HydrophobicContact CG2-CG 3.81Å; S128-L130 VanDerWaalsContact C-N 3.27Å; S128-L130 PolarHBondContact O-N 3.03Å; L130-L205 HydrophobicContact CB-CB 3.93Å; L130-L205 HydrophobicContact CB-CD1 3.74Å; L130-L205 HydrophobicContact CB-CG 4.39Å; L130-L205 HydrophobicContact CD1-CB 3.92Å; L130-L205 HydrophobicContact CD1-CD1 3.59Å; L130-L205 HydrophobicContact CD1-CG 4.41Å; L130-L205 HydrophobicContact CG-CB 4.36Å; L130-L205 HydrophobicContact CG-CD1 4.32Å; L130-K206 WeakPolarHBondContact CA-O 3.34Å; L130-T207 HydrophobicContact CD2-CG2 3.65Å; L130-V213 HydrophobicContact CD1-CB 4.45Å; L130-V213 HydrophobicContact CD2-CG2 3.91Å
131T97Very high94Very high79 Ų7942.5 Ų42.549%0.48524%0.236SC..EExtended strand (participates in β ladder)trans-117.2157.2175.662.40000110.8L205 K206T131-L205 CarbonylContact O-C 3.47Å; T131-L205 WeakPolarHBondContact O-CA 3.42Å; T131-K206 PolarHBondContact N-O 2.99Å; T131-K206 PolarHBondContact O-N 3.04Å; T131-K206 PolarHBondContact OG1-O 3.03Å
132G96.3Very high92.9Very high25 Ų2552 Ų5226%0.25828%0.28SS..EExtended strand (participates in β ladder)trans-60.7159.2172.800000113.4D200G132-D200 VanDerWaalsContact CA-CG 3.5Å; G132-D200 WeakPolarHBondContact CA-OD1 3.27Å
133V96Very high92.1Very high1 Ų154 Ų541%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-131.2119.1-178.5-169.40000109.6W167 D200 T201 L204 L205 K206 L212V133-W167 HydrophobicContact CG1-CZ2 3.79Å; V133-D200 PolarHBondContact N-OD1 3.18Å; V133-T201 WeakPolarHBondContact O-CB 3.36Å; V133-T201 PolarHBondContact O-N 3.19Å; V133-T201 PolarHBondContact O-OG1 3.26Å; V133-L204 HydrophobicContact CB-CD2 4.12Å; V133-L204 HydrophobicContact CB-CG 4.16Å; V133-L204 HydrophobicContact CG1-CD2 4.16Å; V133-L204 HydrophobicContact CG2-CG 4.26Å; V133-L205 VanDerWaalsContact CG2-C 3.41Å; V133-K206 HydrophobicContact CG2-CB 3.41Å; V133-K206 VanDerWaalsContact CG2-CB 3.41Å; V133-L212 HydrophobicContact CB-CD2 4.5Å; V133-L212 HydrophobicContact CG1-CD2 3.82Å; V133-L212 HydrophobicContact CG2-CD2 3.96Å
134V95.9Very high91.3Very high48 Ų4857.5 Ų57.529%0.29133%0.33SS..EExtended strand (participates in β ladder)trans-84.4143.5175.2-177.10000110.2E198V134-E198 VanDerWaalsContact CG1-C 3.47Å; V134-E198 WeakPolarHBondContact CG1-O 3.42Å
135T95.1Very high91Very high0 Ų057.5 Ų57.50%033%0.332CS..PPolyproline II helixtrans-55.2125.9173.8-54.30000110.2L139 R140 L183 M197 T201T135-L139 HydrophobicContact CG2-CB 3.75Å; T135-R140 HydrophobicContact CG2-CG 4.24Å; T135-R140 PolarHBondContact O-NE 3.37Å; T135-R140 PolarHBondContact O-NH2 3.44Å; T135-R140 VanDerWaalsContact O-NH2 3.09Å; T135-L183 HydrophobicContact CG2-CD1 3.83Å; T135-L183 WeakPolarHBondContact OG1-CD1 3.35Å; T135-M197 HydrophobicContact CG2-CE 3.85Å; T135-T201 PolarHBondContact OG1-OG1 3.32Å
136P93.8Very high90.8Very high23 Ų2356.5 Ų56.515%0.14933%0.327CS..PPolyproline II helixtrans-69.6150.2-17730.2-37.1000110.2P138 L139 L164 W167P136-P138 VanDerWaalsContact C-CD 3.41Å; P136-P138 VanDerWaalsContact C-N 3.32Å; P136-P138 VanDerWaalsContact O-N 3.15Å; P136-L139 HydrophobicContact CG-CB 4.23Å; P136-L139 HydrophobicContact CG-CD1 3.68Å; P136-L139 HydrophobicContact CG-CG 4.06Å; P136-L139 PolarHBondContact O-N 3.33Å; P136-L164 HydrophobicContact CB-CD2 3.87Å; P136-L164 HydrophobicContact CG-CD2 3.85Å; P136-W167 HydrophobicContact CG-CD2 4.14Å; P136-W167 HydrophobicContact CG-CG 3.98Å
137A90.7Very high90.5Very high62 Ų6252.8 Ų52.851%0.51231%0.314SS..G310 helixtrans-49.7-42.4-173.800000114.6L139 R140 S143A137-L139 PolarHBondContact O-N 3.18Å; A137-L139 VanDerWaalsContact O-N 3.08Å; A137-R140 PolarHBondContact O-N 2.74Å; A137-R140 VanDerWaalsContact O-N 3.15Å; A137-S143 WeakPolarHBondContact O-CB 3.37Å; A137-S143 PolarHBondContact O-OG 3.13Å
138P90.7Very high90.1Very high24 Ų2452.8 Ų52.816%0.15632%0.316CS..G310 helixtrans-65.8-7.1177.3-21.234.6000115.6P136 S143 G145 L146 L164P136-P138 VanDerWaalsContact C-CD 3.41Å; P136-P138 VanDerWaalsContact C-N 3.32Å; P136-P138 VanDerWaalsContact O-N 3.15Å; P138-S143 PolarHBondContact O-OG 2.92Å; P138-G145 CarbonylContact O-C 3.43Å; P138-G145 WeakPolarHBondContact O-CA 3.3Å; P138-L146 HydrophobicContact CB-CB 4.48Å; P138-L146 PolarHBondContact O-N 2.76Å; P138-L164 HydrophobicContact CG-CD2 4.19Å
139L90.8Very high89.5Confident10 Ų1051.2 Ų51.25%0.05231%0.308CS..G310 helixtrans-114.26.8178.6-62.2177.2000112.1T135 P136 A137 L146 W167 I171 M197 V242T135-L139 HydrophobicContact CG2-CB 3.75Å; P136-L139 HydrophobicContact CG-CB 4.23Å; P136-L139 HydrophobicContact CG-CD1 3.68Å; P136-L139 HydrophobicContact CG-CG 4.06Å; P136-L139 PolarHBondContact O-N 3.33Å; A137-L139 PolarHBondContact O-N 3.18Å; A137-L139 VanDerWaalsContact O-N 3.08Å; L139-L146 HydrophobicContact CD2-CB 3.8Å; L139-W167 HydrophobicContact CD1-CB 3.75Å; L139-W167 HydrophobicContact CD1-CD2 4.09Å; L139-W167 HydrophobicContact CD1-CE3 3.95Å; L139-W167 HydrophobicContact CD1-CG 4.05Å; L139-I171 HydrophobicContact CD1-CD1 3.67Å; L139-I171 HydrophobicContact CD2-CD1 3.74Å; L139-I171 HydrophobicContact CG-CD1 4.29Å; L139-M197 WeakPolarHBondContact O-CE 3.47Å; L139-V242 HydrophobicContact CD2-CG2 3.76Å
140R89.6Confident87.8Confident79 Ų7953.5 Ų53.530%0.29832%0.319SS..SBendtrans-85.7155.8173.1-60.4-175.9-168172.62.1110.2T135 A137 E142 S143 M197 E198T135-R140 HydrophobicContact CG2-CG 4.24Å; T135-R140 PolarHBondContact O-NE 3.37Å; T135-R140 PolarHBondContact O-NH2 3.44Å; T135-R140 VanDerWaalsContact O-NH2 3.09Å; A137-R140 PolarHBondContact O-N 2.74Å; A137-R140 VanDerWaalsContact O-N 3.15Å; R140-E142 VanDerWaalsContact C-N 3.27Å; R140-E142 PolarHBondContact O-N 2.62Å; R140-S143 WeakPolarHBondContact O-CB 3.38Å; R140-S143 PolarHBondContact O-N 3.09Å; R140-S143 PolarHBondContact O-OG 3.48Å; R140-M197 HydrophobicContact CG-CB 4.41Å; R140-E198 IonicContact NH1-OE1 3.94Å
141Q75.9Confident86.5Confident141 Ų14153.4 Ų53.466%0.65933%0.327SS*.THydrogen-bonded Turntrans-58.1-34.9-172.6-115.6-166.82.800114.5S143 L187 L190Q141-S143 PolarHBondContact O-N 3.07Å; Q141-L187 HydrophobicContact CG-CD2 4.46Å; Q141-L190 HydrophobicContact CB-CD1 4.5Å; Q141-L190 HydrophobicContact CG-CD1 4.04Å
142E73.1Confident85.5Confident200 Ų20052 Ų5294%0.93532%0.32SS*.THydrogen-bonded Turntrans-75.6-11.4-179.5-57.5-175.7173.600113.1R140R140-E142 VanDerWaalsContact C-N 3.27Å; R140-E142 PolarHBondContact O-N 2.62Å
143S79.8Confident85Confident41 Ų4152.9 Ų52.929%0.28732%0.317SS..SBendtrans-87.9154.2179.779.60000111.3A137 P138 R140 Q141 G145A137-S143 WeakPolarHBondContact O-CB 3.37Å; A137-S143 PolarHBondContact O-OG 3.13Å; P138-S143 PolarHBondContact O-OG 2.92Å; R140-S143 WeakPolarHBondContact O-CB 3.38Å; R140-S143 PolarHBondContact O-N 3.09Å; R140-S143 PolarHBondContact O-OG 3.48Å; Q141-S143 PolarHBondContact O-N 3.07Å; S143-G145 PolarHBondContact O-N 3.48Å; S143-G145 PolarHBondContact OG-N 3Å
144G81.4Confident84.3Confident74 Ų7458.5 Ų58.576%0.76334%0.343SS*.  trans-68.41.417300000114.3H147G144-H147 PolarHBondContact O-CE1 3.01Å; G144-H147 PolarHBondContact O-ND1 2.92Å
145G90.6Very high83.8Confident8 Ų864.1 Ų64.18%0.08237%0.371CS..  trans87.8174.2-17300000114.3P138 S143 H147 S241P138-G145 CarbonylContact O-C 3.43Å; P138-G145 WeakPolarHBondContact O-CA 3.3Å; S143-G145 PolarHBondContact O-N 3.48Å; S143-G145 PolarHBondContact OG-N 3Å; G145-H147 WeakPolarHBondContact CA-CE1 3.49Å; G145-H147 WeakPolarHBondContact CA-ND1 3.41Å; G145-H147 PolarHBondContact O-N 3.31Å; G145-H147 PolarHBondContact O-ND1 3.14Å; G145-S241 CarbonylContact C-O 3.55Å; G145-S241 WeakPolarHBondContact CA-O 3.49Å
146L93.3Very high83.7Confident2 Ų266.9 Ų66.91%0.0138%0.383CS..BIsolated β-bridgetrans-82.394.2175.3179.462.5000111W7 P138 L139 F153 L164 S241 V242 C243 V244W7-L146 HydrophobicContact CH2-CD1 4.25Å; W7-L146 HydrophobicContact CZ2-CD1 4.28Å; W7-L146 HydrophobicContact CZ2-CD2 4.08Å; P138-L146 HydrophobicContact CB-CB 4.48Å; P138-L146 PolarHBondContact O-N 2.76Å; L139-L146 HydrophobicContact CD2-CB 3.8Å; L146-F153 HydrophobicContact CD1-CE1 3.67Å; L146-F153 HydrophobicContact CD1-CZ 3.96Å; L146-L164 HydrophobicContact CD1-CD1 4.32Å; L146-L164 HydrophobicContact CD1-CD2 4.39Å; L146-S241 PolarHBondContact N-O 3.42Å; L146-V242 HydrophobicContact CB-CG2 4.38Å; L146-V242 HydrophobicContact CD2-CG1 4.18Å; L146-C243 PolarHBondContact O-N 2.92Å; L146-V244 HydrophobicContact CG-CB 4.36Å
147H92.1Very high83.7Confident23 Ų2369.5 Ų69.511%0.10640%0.399CS..  trans-125.8158.2-173.4-62.691000112.1G144 G145 A149 F153 Y309G144-H147 PolarHBondContact O-CE1 3.01Å; G144-H147 PolarHBondContact O-ND1 2.92Å; G145-H147 WeakPolarHBondContact CA-CE1 3.49Å; G145-H147 WeakPolarHBondContact CA-ND1 3.41Å; G145-H147 PolarHBondContact O-N 3.31Å; G145-H147 PolarHBondContact O-ND1 3.14Å; H147-A149 PolarHBondContact O-N 2.98Å; H147-F153 WeakPolarHBondContact O-CE2 3.5Å; H147-F153 WeakPolarHBondContact O-CZ 3.48Å; H147-Y309 AromaticContact CD2-CE2 3.96Å; H147-Y309 AromaticContact CD2-CZ 3.72Å; H147-Y309 PolarHBondContact CD2-OH 3.35Å
148P86.8Confident83.9Confident28 Ų2869.8 Ų69.818%0.18240%0.395CS..  trans-75.916.2-178.634.1-39.4000114.9V1 G4 V244 Y309V1-P148 HydrophobicContact CG1-CB 4.11Å; G4-P148 WeakPolarHBondContact O-CB 3.27Å; G4-P148 WeakPolarHBondContact O-CG 3.29Å; P148-V244 HydrophobicContact CB-CG2 4.05Å; P148-Y309 HydrophobicContact CG-CD1 3.38Å; P148-Y309 HydrophobicContact CG-CD2 3.49Å; P148-Y309 VanDerWaalsContact CG-CD2 3.49Å; P148-Y309 HydrophobicContact CG-CE1 3.9Å; P148-Y309 HydrophobicContact CG-CE2 4.01Å; P148-Y309 HydrophobicContact CG-CG 3.17Å
149A79.8Confident84.1Confident41 Ų4171.8 Ų71.834%0.33941%0.413SS..  trans-67.4145.7-176.100000112.6H147 G151 C152H147-A149 PolarHBondContact O-N 2.98Å; A149-G151 PolarHBondContact O-N 2.99Å; A149-C152 WeakPolarHBondContact O-CB 3.43Å; A149-C152 PolarHBondContact O-N 3.38Å; A149-C152 VanDerWaalsContact O-N 3.11Å
150L60.5Low84.3Confident175 Ų17575.4 Ų75.492%0.91643%0.43SS*.THydrogen-bonded Turntrans-53.4133.2171.6-72.1155.1000109.3
151G68.1Low84.6Confident37 Ų3772.6 Ų72.638%0.38142%0.421SS..THydrogen-bonded Turntrans92.2-28.6-173.300000116.5A149 F153 E154A149-G151 PolarHBondContact O-N 2.99Å; G151-F153 PolarHBondContact O-N 3.49Å; G151-F153 VanDerWaalsContact O-N 3.13Å; G151-E154 VanDerWaalsContact CA-CD 3.5Å; G151-E154 PolarHBondContact N-OE1 3.4Å; G151-E154 PolarHBondContact O-N 3.31Å
152C75.3Confident85.6Confident50 Ų5067.3 Ų67.334%0.33840%0.397SS..THydrogen-bonded Turntrans-63.2-25.6-175.9-78.20000113.9A149 K156A149-C152 WeakPolarHBondContact O-CB 3.43Å; A149-C152 PolarHBondContact O-N 3.38Å; A149-C152 VanDerWaalsContact O-N 3.11Å; C152-K156 WeakPolarHBondContact O-CE 3.37Å
153F85.6Confident86.7Confident43 Ų4359.4 Ų59.419%0.18936%0.36CS..THydrogen-bonded Turntrans-114.8-3.2-179.7-52.5-62.9000113.3V1 W7 L146 H147 G151 K156 L161 V244V1-F153 HydrophobicContact CG2-CD2 3.97Å; V1-F153 HydrophobicContact CG2-CE2 3.56Å; V1-F153 HydrophobicContact CG2-CZ 4.25Å; W7-F153 HydrophobicContact CH2-CD1 4.12Å; W7-F153 AromaticContact CH2-CE1 3.5Å; W7-F153 HydrophobicContact CH2-CE1 3.5Å; W7-F153 VanDerWaalsContact CH2-CE1 3.5Å; W7-F153 HydrophobicContact CH2-CZ 4.15Å; W7-F153 HydrophobicContact CZ3-CD1 4.03Å; W7-F153 AromaticContact CZ3-CE1 3.74Å; W7-F153 HydrophobicContact CZ3-CE1 3.74Å; W7-F153 HydrophobicContact CZ3-CZ 4.27Å; L146-F153 HydrophobicContact CD1-CE1 3.67Å; L146-F153 HydrophobicContact CD1-CZ 3.96Å; H147-F153 WeakPolarHBondContact O-CE2 3.5Å; H147-F153 WeakPolarHBondContact O-CZ 3.48Å; G151-F153 PolarHBondContact O-N 3.49Å; G151-F153 VanDerWaalsContact O-N 3.13Å; F153-K156 HydrophobicContact CD1-CD 4.39Å; F153-K156 PolarHBondContact O-N 2.89Å; F153-L161 HydrophobicContact CB-CD2 4.11Å; F153-L161 HydrophobicContact CD1-CD2 3.75Å; F153-L161 HydrophobicContact CG-CD2 4.29Å; F153-V244 HydrophobicContact CE2-CG2 4.33Å; F153-V244 HydrophobicContact CZ-CB 4.47Å; F153-V244 HydrophobicContact CZ-CG1 4.49Å; F153-V244 HydrophobicContact CZ-CG2 3.86Å
154E81.3Confident87.5Confident120 Ų12057.7 Ų57.756%0.56135%0.348SS*.THydrogen-bonded Turntrans-65.2140.1177-69.4174.8-16100109.3G151 K156G151-E154 VanDerWaalsContact CA-CD 3.5Å; G151-E154 PolarHBondContact N-OE1 3.4Å; G151-E154 PolarHBondContact O-N 3.31Å; E154-K156 PolarHBondContact O-N 3.48Å; E154-K156 VanDerWaalsContact O-N 3.13Å
155N86.3Confident88.2Confident165 Ų16554.2 Ų54.288%0.88231%0.311SS*.THydrogen-bonded Turntrans63.78.4-177.7-49.9-49.3000116.2
156K91.9Very high88.6Confident58 Ų5853.9 Ų53.925%0.25231%0.308SS..  trans-81.4134.7170.9-65.7-167.8-179.9-63.30111.1C152 F153 E154 E160 L161 L164C152-K156 WeakPolarHBondContact O-CE 3.37Å; F153-K156 HydrophobicContact CD1-CD 4.39Å; F153-K156 PolarHBondContact O-N 2.89Å; E154-K156 PolarHBondContact O-N 3.48Å; E154-K156 VanDerWaalsContact O-N 3.13Å; K156-E160 HydrophobicContact CB-CB 4.34Å; K156-L161 HydrophobicContact CB-CD2 3.79Å; K156-L161 HydrophobicContact CB-CG 3.96Å; K156-L161 HydrophobicContact CD-CD2 3.92Å; K156-L161 HydrophobicContact CG-CD2 4.45Å; K156-L164 HydrophobicContact CD-CD1 3.65Å
157T94.8Very high88.8Confident79 Ų7953.8 Ų53.849%0.48531%0.307SS..  trans-69.2158.9169.864.60000110.9A159 E160 L161T157-A159 PolarHBondContact O-N 3.26Å; T157-E160 WeakPolarHBondContact CB-OE2 3.3Å; T157-E160 WeakPolarHBondContact CG2-OE2 3.41Å; T157-E160 PolarHBondContact N-OE2 2.89Å; T157-E160 PolarHBondContact O-N 3.27Å; T157-E160 VanDerWaalsContact O-N 3.15Å; T157-E160 WeakPolarHBondContact OG1-CG 3.34Å; T157-E160 PolarHBondContact OG1-N 3.01Å; T157-E160 PolarHBondContact OG1-OE2 2.65Å; T157-L161 WeakPolarHBondContact O-CG 3.42Å; T157-L161 PolarHBondContact O-N 3.32Å
158T95.1Very high89.1Confident67 Ų6752.8 Ų52.841%0.41130%0.303SS..Hα-helixtrans-55.5-37.9174-520000112.2W10 L11 L14 L161 L162W10-T158 HydrophobicContact CH2-CG2 4.44Å; W10-T158 HydrophobicContact CZ3-CG2 4.1Å; L11-T158 HydrophobicContact CD1-CG2 4.15Å; L14-T158 HydrophobicContact CD1-CG2 3.99Å; T158-L161 PolarHBondContact O-N 2.8Å; T158-L162 HydrophobicContact CG2-CD1 4.22Å; T158-L162 HydrophobicContact CG2-CG 4.48Å; T158-L162 WeakPolarHBondContact O-CG 3.37Å; T158-L162 PolarHBondContact O-N 2.94Å
159A94.8Very high89.6Confident67 Ų6751.5 Ų51.555%0.55429%0.294SS*.Hα-helixtrans-64-43.2178.200000112.2T157 L161 L162 E163T157-A159 PolarHBondContact O-N 3.26Å; A159-L161 VanDerWaalsContact C-N 3.33Å; A159-L161 PolarHBondContact O-N 3.36Å; A159-L162 PolarHBondContact O-N 2.77Å; A159-E163 PolarHBondContact O-N 3.42Å
160E94.8Very high90.5Very high85 Ų8549.6 Ų49.640%0.39728%0.278SS..Hα-helixtrans-65.2-37.3176.1-70.9166.9115.500112K156 T157 E163 L164K156-E160 HydrophobicContact CB-CB 4.34Å; T157-E160 WeakPolarHBondContact CB-OE2 3.3Å; T157-E160 WeakPolarHBondContact CG2-OE2 3.41Å; T157-E160 PolarHBondContact N-OE2 2.89Å; T157-E160 PolarHBondContact O-N 3.27Å; T157-E160 VanDerWaalsContact O-N 3.15Å; T157-E160 WeakPolarHBondContact OG1-CG 3.34Å; T157-E160 PolarHBondContact OG1-N 3.01Å; T157-E160 PolarHBondContact OG1-OE2 2.65Å; E160-E163 PolarHBondContact O-N 3.46Å; E160-L164 WeakPolarHBondContact O-CG 3.49Å; E160-L164 PolarHBondContact O-N 2.89Å
161L95.6Very high92.3Very high21 Ų2141.4 Ų41.411%0.1124%0.236CC..Hα-helixtrans-67-41.1176.1-64.6174.3000111.9W7 L11 F153 K156 T157 T158 A159 E163 L164 M165W7-L161 HydrophobicContact CZ3-CD2 4.14Å; L11-L161 HydrophobicContact CD1-CB 3.95Å; L11-L161 HydrophobicContact CD2-CB 3.79Å; F153-L161 HydrophobicContact CB-CD2 4.11Å; F153-L161 HydrophobicContact CD1-CD2 3.75Å; F153-L161 HydrophobicContact CG-CD2 4.29Å; K156-L161 HydrophobicContact CB-CD2 3.79Å; K156-L161 HydrophobicContact CB-CG 3.96Å; K156-L161 HydrophobicContact CD-CD2 3.92Å; K156-L161 HydrophobicContact CG-CD2 4.45Å; T157-L161 WeakPolarHBondContact O-CG 3.42Å; T157-L161 PolarHBondContact O-N 3.32Å; T158-L161 PolarHBondContact O-N 2.8Å; A159-L161 VanDerWaalsContact C-N 3.33Å; A159-L161 PolarHBondContact O-N 3.36Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-L164 PolarHBondContact O-N 3.27Å; L161-M165 PolarHBondContact O-N 3.25Å
162L96.3Very high93.8Very high29 Ų2939.7 Ų39.715%0.15222%0.217CC..Hα-helixtrans-64.6-37.3174.1-72.7172.4000112.1L11 L14 L15 T158 A159 M165 Q166L11-L162 HydrophobicContact CD1-CD2 3.83Å; L11-L162 HydrophobicContact CD1-CG 3.95Å; L11-L162 HydrophobicContact CG-CD2 4.07Å; L11-L162 WeakPolarHBondContact O-CD2 3.41Å; L14-L162 HydrophobicContact CB-CD2 4.27Å; L15-L162 HydrophobicContact CB-CD2 4.1Å; L15-L162 HydrophobicContact CD1-CD2 4.18Å; T158-L162 HydrophobicContact CG2-CD1 4.22Å; T158-L162 HydrophobicContact CG2-CG 4.48Å; T158-L162 WeakPolarHBondContact O-CG 3.37Å; T158-L162 PolarHBondContact O-N 2.94Å; A159-L162 PolarHBondContact O-N 2.77Å; L162-M165 PolarHBondContact O-N 3.19Å; L162-Q166 WeakPolarHBondContact O-CG 3.26Å; L162-Q166 PolarHBondContact O-N 3.41Å; L162-Q166 PolarHBondContact O-NE2 3.4Å; L162-Q166 VanDerWaalsContact O-NE2 3.08Å
163E96.1Very high94.9Very high35 Ų3537.3 Ų37.316%0.16420%0.201CC..Hα-helixtrans-65.5-47.3174.3-173.8162.5168.500110.8A159 E160 L161 M165 Q166 W167 K206 L212A159-E163 PolarHBondContact O-N 3.42Å; E160-E163 PolarHBondContact O-N 3.46Å; L161-E163 VanDerWaalsContact C-N 3.34Å; E163-M165 VanDerWaalsContact C-N 3.29Å; E163-M165 PolarHBondContact O-N 2.83Å; E163-Q166 PolarHBondContact O-N 3.21Å; E163-Q166 VanDerWaalsContact O-N 3.13Å; E163-W167 VanDerWaalsContact O-CD1 3.24Å; E163-W167 PolarHBondContact O-N 2.97Å; E163-K206 VanDerWaalsContact CD-NZ 3.27Å; E163-K206 IonicContact OE1-NZ 2.78Å; E163-K206 PolarHBondContact OE1-NZ 3.22Å; E163-K206 IonicContact OE2-NZ 2.73Å; E163-K206 PolarHBondContact OE2-NZ 2.69Å; E163-L212 HydrophobicContact CG-CD2 4.43Å
164L96.6Very high95.5Very high5 Ų535.6 Ų35.63%0.02619%0.194CC..Hα-helixtrans-60.4-35.8176.2-72.6172.9000113W7 P136 P138 L146 K156 E160 L161 W167 S168W7-L164 HydrophobicContact CH2-CB 3.74Å; W7-L164 HydrophobicContact CH2-CD1 4.44Å; W7-L164 HydrophobicContact CZ2-CB 3.83Å; P136-L164 HydrophobicContact CB-CD2 3.87Å; P136-L164 HydrophobicContact CG-CD2 3.85Å; P138-L164 HydrophobicContact CG-CD2 4.19Å; L146-L164 HydrophobicContact CD1-CD1 4.32Å; L146-L164 HydrophobicContact CD1-CD2 4.39Å; K156-L164 HydrophobicContact CD-CD1 3.65Å; E160-L164 WeakPolarHBondContact O-CG 3.49Å; E160-L164 PolarHBondContact O-N 2.89Å; L161-L164 PolarHBondContact O-N 3.27Å; L164-W167 PolarHBondContact O-N 3.22Å; L164-S168 PolarHBondContact O-N 2.97Å
165M97.3Very high96.4Very high0 Ų030.1 Ų30.10%017%0.169CC..Hα-helixtrans-61.4-47173.6-179-176-50.600111.7W7 L11 E12 L15 L161 L162 E163 W167 S168 D169 R246W7-M165 HydrophobicContact CB-CE 3.58Å; W7-M165 HydrophobicContact CD2-CB 4.26Å; W7-M165 HydrophobicContact CD2-CE 4.26Å; W7-M165 HydrophobicContact CG-CB 4.28Å; W7-M165 HydrophobicContact CG-CE 3.74Å; W7-M165 HydrophobicContact CG-CG 4.06Å; W7-M165 HydrophobicContact CZ2-CB 4.45Å; L11-M165 HydrophobicContact CB-CE 3.92Å; L11-M165 HydrophobicContact CD2-CE 3.41Å; L11-M165 VanDerWaalsContact CD2-CE 3.41Å; L11-M165 HydrophobicContact CG-CE 3.42Å; L11-M165 VanDerWaalsContact CG-CE 3.42Å; E12-M165 HydrophobicContact CG-CE 3.97Å; E12-M165 HydrophobicContact CG-SD 3.99Å; L15-M165 HydrophobicContact CB-SD 4.27Å; L15-M165 HydrophobicContact CD2-SD 3.85Å; L15-M165 HydrophobicContact CG-SD 4.5Å; L161-M165 PolarHBondContact O-N 3.25Å; L162-M165 PolarHBondContact O-N 3.19Å; E163-M165 VanDerWaalsContact C-N 3.29Å; E163-M165 PolarHBondContact O-N 2.83Å; M165-W167 VanDerWaalsContact C-N 3.29Å; M165-W167 PolarHBondContact O-N 2.85Å; M165-S168 PolarHBondContact O-N 3.37Å; M165-S168 VanDerWaalsContact O-N 3.13Å; M165-S168 PolarHBondContact O-OG 3.43Å; M165-D169 PolarHBondContact O-N 2.91Å; M165-D169 VanDerWaalsContact O-N 3.13Å; M165-R246 HydrophobicContact CG-CB 4.26Å; M165-R246 HydrophobicContact CG-CG 4.45Å; M165-R246 HydrophobicContact SD-CG 4.11Å
166Q97.8Very high97Very high2 Ų222.2 Ų22.21%0.00913%0.126CC..Hα-helixtrans-65.1-34.8178.2-67.217188.900112L15 N87 L162 E163 D169 L170 L212L15-Q166 HydrophobicContact CD1-CG 3.62Å; N87-Q166 PolarHBondContact ND2-OE1 2.97Å; N87-Q166 VanDerWaalsContact ND2-OE1 3.09Å; L162-Q166 WeakPolarHBondContact O-CG 3.26Å; L162-Q166 PolarHBondContact O-N 3.41Å; L162-Q166 PolarHBondContact O-NE2 3.4Å; L162-Q166 VanDerWaalsContact O-NE2 3.08Å; E163-Q166 PolarHBondContact O-N 3.21Å; E163-Q166 VanDerWaalsContact O-N 3.13Å; Q166-D169 PolarHBondContact O-N 3.24Å; Q166-L170 WeakPolarHBondContact O-CB 3.18Å; Q166-L170 PolarHBondContact O-N 3.18Å; Q166-L212 HydrophobicContact CB-CB 4.25Å; Q166-L212 HydrophobicContact CB-CD1 3.6Å; Q166-L212 HydrophobicContact CB-CG 3.87Å
167W97.9Very high97.3Very high0 Ų019.5 Ų19.50%011%0.114CC..Hα-helixtrans-63.7-39.1171.3-85.7103000112.8V133 P136 L139 E163 L164 M165 D169 L170 I171 L183 T201 L204 L212V133-W167 HydrophobicContact CG1-CZ2 3.79Å; P136-W167 HydrophobicContact CG-CD2 4.14Å; P136-W167 HydrophobicContact CG-CG 3.98Å; L139-W167 HydrophobicContact CD1-CB 3.75Å; L139-W167 HydrophobicContact CD1-CD2 4.09Å; L139-W167 HydrophobicContact CD1-CE3 3.95Å; L139-W167 HydrophobicContact CD1-CG 4.05Å; E163-W167 VanDerWaalsContact O-CD1 3.24Å; E163-W167 PolarHBondContact O-N 2.97Å; L164-W167 PolarHBondContact O-N 3.22Å; M165-W167 VanDerWaalsContact C-N 3.29Å; M165-W167 PolarHBondContact O-N 2.85Å; W167-D169 VanDerWaalsContact C-N 3.33Å; W167-D169 PolarHBondContact O-N 3.37Å; W167-L170 HydrophobicContact CE3-CD2 3.86Å; W167-L170 HydrophobicContact CZ3-CD2 3.86Å; W167-L170 PolarHBondContact O-N 3.48Å; W167-I171 WeakPolarHBondContact O-CG1 3.44Å; W167-I171 PolarHBondContact O-N 2.99Å; W167-L183 HydrophobicContact CZ3-CD2 4.16Å; W167-T201 HydrophobicContact CH2-CG2 4.08Å; W167-T201 WeakPolarHBondContact CH2-OG1 3.13Å; W167-L204 HydrophobicContact CD2-CD2 4.48Å; W167-L204 HydrophobicContact CE3-CD2 4.45Å; W167-L204 HydrophobicContact CH2-CD2 3.34Å; W167-L204 HydrophobicContact CZ2-CD2 3.35Å; W167-L204 HydrophobicContact CZ3-CD2 3.91Å; W167-L212 HydrophobicContact CD2-CD1 4.41Å; W167-L212 HydrophobicContact CG-CD1 4.12Å
168S97.8Very high97.5Very high1 Ų115.8 Ų15.81%0.0079%0.092CC..Hα-helixtrans-63.4-38.9175.671.30000112.3W7 L164 M165 V172 V244W7-S168 PolarHBondContact NE1-OG 2.95Å; L164-S168 PolarHBondContact O-N 2.97Å; M165-S168 PolarHBondContact O-N 3.37Å; M165-S168 VanDerWaalsContact O-N 3.13Å; M165-S168 PolarHBondContact O-OG 3.43Å; S168-V172 PolarHBondContact O-N 2.99Å; S168-V244 WeakPolarHBondContact CB-O 3.49Å
169D98.3Very high97.6Very high1 Ų112.6 Ų12.61%0.0057%0.072CC..Hα-helixtrans-66.1-44.8172.6-89.7-3.8000111.8I85 M165 Q166 W167 I171 V172 F173 R246 T249I85-D169 HydrophobicContact CD1-CB 4.34Å; I85-D169 HydrophobicContact CG1-CB 4.49Å; M165-D169 PolarHBondContact O-N 2.91Å; M165-D169 VanDerWaalsContact O-N 3.13Å; Q166-D169 PolarHBondContact O-N 3.24Å; W167-D169 VanDerWaalsContact C-N 3.33Å; W167-D169 PolarHBondContact O-N 3.37Å; D169-I171 VanDerWaalsContact C-N 3.33Å; D169-I171 PolarHBondContact O-N 3.35Å; D169-V172 PolarHBondContact O-N 2.92Å; D169-F173 WeakPolarHBondContact O-CB 3.4Å; D169-F173 PolarHBondContact O-N 3.43Å; D169-R246 WeakPolarHBondContact OD1-CB 3.48Å; D169-R246 IonicContact OD1-NE 3.97Å; D169-R246 IonicContact OD1-NH2 3.16Å; D169-R246 IonicContact OD2-CZ 3.04Å; D169-R246 IonicContact OD2-NE 2.79Å; D169-R246 PolarHBondContact OD2-NE 3.48Å; D169-R246 IonicContact OD2-NH2 2.74Å; D169-R246 PolarHBondContact OD2-NH2 2.04Å; D169-T249 WeakPolarHBondContact OD1-CB 3.37Å; D169-T249 PolarHBondContact OD1-OG1 3.42Å; D169-T249 PolarHBondContact OD2-OG1 3.45Å
170L98.5Very high97.7Very high1 Ų110.7 Ų10.71%0.0055%0.051CC..Hα-helixtrans-57.7-46177.7178.763.8000111.3Q166 W167 V172 F173 D174 L204 F214Q166-L170 WeakPolarHBondContact O-CB 3.18Å; Q166-L170 PolarHBondContact O-N 3.18Å; W167-L170 HydrophobicContact CE3-CD2 3.86Å; W167-L170 HydrophobicContact CZ3-CD2 3.86Å; W167-L170 PolarHBondContact O-N 3.48Å; L170-V172 PolarHBondContact O-N 2.94Å; L170-F173 PolarHBondContact O-N 3.25Å; L170-D174 WeakPolarHBondContact CD1-OD2 3.32Å; L170-D174 WeakPolarHBondContact O-CB 3.5Å; L170-D174 PolarHBondContact O-N 2.86Å; L170-L204 HydrophobicContact CD2-CD1 3.81Å; L170-L204 HydrophobicContact CD2-CD2 3.6Å; L170-L204 HydrophobicContact CD2-CG 4.27Å; L170-F214 HydrophobicContact CB-CE1 4Å; L170-F214 HydrophobicContact CB-CE2 4.1Å; L170-F214 HydrophobicContact CB-CZ 3.58Å; L170-F214 HydrophobicContact CD1-CD1 3.87Å; L170-F214 HydrophobicContact CD1-CD2 3.81Å; L170-F214 HydrophobicContact CD1-CE1 3.82Å; L170-F214 HydrophobicContact CD1-CE2 3.75Å; L170-F214 HydrophobicContact CD1-CG 3.91Å; L170-F214 HydrophobicContact CD1-CZ 3.78Å; L170-F214 HydrophobicContact CD2-CE1 4.41Å; L170-F214 HydrophobicContact CG-CE1 4.29Å; L170-F214 HydrophobicContact CG-CZ 4.21Å
171I98.6Very high97.7Very high4 Ų48.6 Ų8.62%0.0214%0.043CC..Hα-helixtrans-62.1-45.4-179.1-77.8176.5000111.4L139 W167 D169 F173 Y175 L183 V238 V242L139-I171 HydrophobicContact CD1-CD1 3.67Å; L139-I171 HydrophobicContact CD2-CD1 3.74Å; L139-I171 HydrophobicContact CG-CD1 4.29Å; W167-I171 WeakPolarHBondContact O-CG1 3.44Å; W167-I171 PolarHBondContact O-N 2.99Å; D169-I171 VanDerWaalsContact C-N 3.33Å; D169-I171 PolarHBondContact O-N 3.35Å; I171-F173 VanDerWaalsContact C-N 3.32Å; I171-Y175 WeakPolarHBondContact O-CB 3.36Å; I171-Y175 PolarHBondContact O-N 2.92Å; I171-L183 HydrophobicContact CD1-CD2 4.07Å; I171-L183 HydrophobicContact CG1-CD2 4.16Å; I171-V238 HydrophobicContact CB-CG1 4.14Å; I171-V238 HydrophobicContact CD1-CG1 3.74Å; I171-V238 HydrophobicContact CG1-CG1 3.54Å; I171-V238 HydrophobicContact CG2-CG1 3.74Å; I171-V242 HydrophobicContact CB-CG2 4.28Å; I171-V242 HydrophobicContact CD1-CG2 3.44Å; I171-V242 VanDerWaalsContact CD1-CG2 3.44Å; I171-V242 HydrophobicContact CG1-CG2 4.43Å; I171-V242 HydrophobicContact CG2-CG2 3.94Å
172V98.8Very high97.7Very high0 Ų07.6 Ų7.60%04%0.038CC..Hα-helixtrans-64-43.4175.7171.90000110.3S168 D169 L170 Y175 L176 L239 F245 M250 V298S168-V172 PolarHBondContact O-N 2.99Å; D169-V172 PolarHBondContact O-N 2.92Å; L170-V172 PolarHBondContact O-N 2.94Å; V172-Y175 WeakPolarHBondContact O-CB 3.41Å; V172-Y175 PolarHBondContact O-N 3.02Å; V172-L176 HydrophobicContact CG1-CD1 3.97Å; V172-L176 HydrophobicContact CG1-CG 4.29Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.42Å; V172-L176 PolarHBondContact O-N 2.87Å; V172-L239 HydrophobicContact CG2-CD1 4.43Å; V172-F245 HydrophobicContact CG2-CD1 4.12Å; V172-F245 HydrophobicContact CG2-CE1 4.22Å; V172-M250 HydrophobicContact CB-CE 4.41Å; V172-M250 HydrophobicContact CG1-CE 4.04Å; V172-M250 HydrophobicContact CG2-CE 4.09Å; V172-V298 HydrophobicContact CG1-CG1 3.72Å; V172-V298 HydrophobicContact CG1-CG2 4.31Å; V172-V298 HydrophobicContact CG2-CG1 4.42Å
173F98.8Very high97.6Very high0 Ų06.4 Ų6.40%03%0.032CC..Hα-helixtrans-62.4-51.4-178.9-175-118.5000112.4T76 L79 A80 L83 I85 L88 D169 L170 I171 Y175 L176 T177 F214T76-F173 HydrophobicContact CG2-CE1 3.63Å; T76-F173 HydrophobicContact CG2-CE2 4.23Å; T76-F173 HydrophobicContact CG2-CZ 3.26Å; T76-F173 WeakPolarHBondContact O-CZ 3.49Å; L79-F173 HydrophobicContact CG-CE2 4.39Å; A80-F173 HydrophobicContact CB-CE2 3.66Å; A80-F173 HydrophobicContact CB-CZ 3.67Å; L83-F173 HydrophobicContact CD1-CD2 3.89Å; L83-F173 HydrophobicContact CD1-CE2 4.39Å; I85-F173 HydrophobicContact CD1-CB 3.86Å; I85-F173 HydrophobicContact CD1-CD2 3.98Å; I85-F173 HydrophobicContact CD1-CG 4.1Å; L88-F173 HydrophobicContact CD1-CE1 3.99Å; L88-F173 HydrophobicContact CD1-CZ 4.15Å; L88-F173 HydrophobicContact CD2-CE1 4.03Å; L88-F173 HydrophobicContact CD2-CZ 3.85Å; D169-F173 WeakPolarHBondContact O-CB 3.4Å; D169-F173 PolarHBondContact O-N 3.43Å; L170-F173 PolarHBondContact O-N 3.25Å; I171-F173 VanDerWaalsContact C-N 3.32Å; F173-Y175 VanDerWaalsContact C-N 3.28Å; F173-Y175 PolarHBondContact O-N 3.07Å; F173-L176 PolarHBondContact O-N 2.93Å; F173-L176 VanDerWaalsContact O-N 3.12Å; F173-T177 HydrophobicContact CD2-CG2 4.23Å; F173-T177 HydrophobicContact CE1-CG2 4.46Å; F173-T177 HydrophobicContact CE2-CG2 3.94Å; F173-T177 HydrophobicContact CZ-CG2 4.1Å; F173-T177 WeakPolarHBondContact O-CG2 3.09Å; F173-T177 PolarHBondContact O-N 2.92Å; F173-T177 PolarHBondContact O-OG1 3.1Å; F173-F214 AromaticContact CD1-CD2 3.95Å; F173-F214 HydrophobicContact CD1-CD2 3.95Å; F173-F214 HydrophobicContact CD1-CE2 4.3Å; F173-F214 HydrophobicContact CE1-CD2 4.23Å
174D98.7Very high97.5Very high8 Ų84.9 Ų4.94%0.0433%0.025CC..Hα-helixtrans-63.5-34.1177.4-76.4-13.6000111.7L170 T177 A178 N179 R182 H235L170-D174 WeakPolarHBondContact CD1-OD2 3.32Å; L170-D174 WeakPolarHBondContact O-CB 3.5Å; L170-D174 PolarHBondContact O-N 2.86Å; D174-T177 PolarHBondContact O-OG1 3.38Å; D174-A178 CarbonylContact O-C 3.49Å; D174-A178 VanDerWaalsContact O-CA 3.25Å; D174-A178 WeakPolarHBondContact O-CA 3.41Å; D174-A178 PolarHBondContact O-N 2.97Å; D174-N179 HydrophobicContact CB-CB 4.34Å; D174-N179 PolarHBondContact O-N 2.91Å; D174-R182 WeakPolarHBondContact OD1-CD 3.47Å; D174-R182 IonicContact OD1-NE 2.89Å; D174-R182 WeakPolarHBondContact OD2-CD 3.49Å; D174-H235 PolarHBondContact O-CE1 2.83Å; D174-H235 VanDerWaalsContact O-CE1 3.27Å; D174-H235 PolarHBondContact O-ND1 2.66Å
175Y98.9Very high97.4Very high4 Ų45.3 Ų5.32%0.0163%0.028CC..Hα-helixtrans-60.2-57.5169.5-177-90.2000109.6I171 V172 F173 T177 A178 E232 H235 H236 L239 R294 Q297 V298I171-Y175 WeakPolarHBondContact O-CB 3.36Å; I171-Y175 PolarHBondContact O-N 2.92Å; V172-Y175 WeakPolarHBondContact O-CB 3.41Å; V172-Y175 PolarHBondContact O-N 3.02Å; F173-Y175 VanDerWaalsContact C-N 3.28Å; F173-Y175 PolarHBondContact O-N 3.07Å; Y175-T177 VanDerWaalsContact C-N 3.28Å; Y175-T177 PolarHBondContact O-N 3.12Å; Y175-A178 PolarHBondContact O-N 2.77Å; Y175-E232 PolarHBondContact OH-OE1 2.89Å; Y175-H235 HydrophobicContact CD2-CB 3.82Å; Y175-H235 HydrophobicContact CE2-CB 4.1Å; Y175-H236 AromaticContact CE2-ND1 3.85Å; Y175-H236 PolarHBondContact OH-CE1 3.47Å; Y175-L239 HydrophobicContact CD1-CD2 3.98Å; Y175-L239 HydrophobicContact CD2-CB 3.84Å; Y175-L239 HydrophobicContact CD2-CD2 3.76Å; Y175-L239 HydrophobicContact CD2-CG 4.33Å; Y175-L239 HydrophobicContact CE1-CD2 3.96Å; Y175-L239 HydrophobicContact CE2-CB 4.37Å; Y175-L239 HydrophobicContact CE2-CD2 3.8Å; Y175-L239 HydrophobicContact CG-CB 4.31Å; Y175-L239 HydrophobicContact CG-CD2 3.89Å; Y175-L239 HydrophobicContact CG-CG 4.47Å; Y175-R294 HydrophobicContact CD1-CB 4.48Å; Y175-R294 HydrophobicContact CE1-CB 4.01Å; Y175-R294 HydrophobicContact CE1-CG 4.28Å; Y175-R294 PolarHBondContact O-NE 3.3Å; Y175-R294 PolarHBondContact O-NH2 2.76Å; Y175-Q297 HydrophobicContact CE1-CB 4.27Å; Y175-V298 HydrophobicContact CD1-CG2 3.38Å; Y175-V298 HydrophobicContact CE1-CG2 3.8Å; Y175-V298 HydrophobicContact CG-CG2 4.34Å
176L98.9Very high97.3Very high0 Ų05.6 Ų5.60%03%0.03CC..Hα-helixtrans-57-40.1-177.3-69.2175.7000113L79 L83 V172 F173 A178 R294 I295 V298L79-L176 HydrophobicContact CD2-CB 4.46Å; L83-L176 HydrophobicContact CD1-CD1 3.63Å; L83-L176 HydrophobicContact CD2-CD1 4.12Å; V172-L176 HydrophobicContact CG1-CD1 3.97Å; V172-L176 HydrophobicContact CG1-CG 4.29Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.42Å; V172-L176 PolarHBondContact O-N 2.87Å; F173-L176 PolarHBondContact O-N 2.93Å; F173-L176 VanDerWaalsContact O-N 3.12Å; L176-A178 VanDerWaalsContact C-N 3.34Å; L176-R294 HydrophobicContact CD2-CB 4.15Å; L176-I295 HydrophobicContact CD2-CB 4.35Å; L176-I295 HydrophobicContact CD2-CG1 3.71Å; L176-V298 HydrophobicContact CD2-CB 4.32Å; L176-V298 HydrophobicContact CD2-CG2 3.63Å; L176-V298 HydrophobicContact CG-CG2 4.09Å
177T98.8Very high97Very high0 Ų06.4 Ų6.40%03%0.034CC..Hα-helixtrans-84.1-8.4179.364.40000113T76 L79 F173 D174 Y175 N179 G220 L221T76-T177 HydrophobicContact CG2-CG2 3.79Å; L79-T177 HydrophobicContact CD2-CG2 3.8Å; F173-T177 HydrophobicContact CD2-CG2 4.23Å; F173-T177 HydrophobicContact CE1-CG2 4.46Å; F173-T177 HydrophobicContact CE2-CG2 3.94Å; F173-T177 HydrophobicContact CZ-CG2 4.1Å; F173-T177 WeakPolarHBondContact O-CG2 3.09Å; F173-T177 PolarHBondContact O-N 2.92Å; F173-T177 PolarHBondContact O-OG1 3.1Å; D174-T177 PolarHBondContact O-OG1 3.38Å; Y175-T177 VanDerWaalsContact C-N 3.28Å; Y175-T177 PolarHBondContact O-N 3.12Å; T177-N179 PolarHBondContact O-N 3.16Å; T177-N179 WeakPolarHBondContact OG1-CB 3.38Å; T177-N179 PolarHBondContact OG1-N 3.35Å; T177-G220 CarbonylContact O-C 3.46Å; T177-G220 WeakPolarHBondContact O-CA 3.45Å; T177-L221 HydrophobicContact CG2-CD2 4.36Å; T177-L221 HydrophobicContact CG2-CG 4.25Å; T177-L221 WeakPolarHBondContact O-CA 3.04Å; T177-L221 PolarHBondContact O-N 2.92Å
178A98.5Very high96.8Very high1 Ų19.1 Ų9.11%0.0085%0.046CC..THydrogen-bonded Turntrans50.539.4-166.700000113D174 Y175 L176 F180 G224 F225 L228 H235D174-A178 CarbonylContact O-C 3.49Å; D174-A178 VanDerWaalsContact O-CA 3.25Å; D174-A178 WeakPolarHBondContact O-CA 3.41Å; D174-A178 PolarHBondContact O-N 2.97Å; Y175-A178 PolarHBondContact O-N 2.77Å; L176-A178 VanDerWaalsContact C-N 3.34Å; A178-F180 PolarHBondContact O-N 2.63Å; A178-G224 WeakPolarHBondContact O-CA 3.39Å; A178-F225 HydrophobicContact CB-CD1 3.71Å; A178-F225 HydrophobicContact CB-CE1 3.88Å; A178-L228 HydrophobicContact CB-CD1 3.61Å; A178-H235 VanDerWaalsContact C-CE1 3.41Å; A178-H235 WeakPolarHBondContact CA-NE2 3.34Å
179N98.3Very high96.7Very high0 Ų010.7 Ų10.70%06%0.057CC..  trans-75.7108.6177.6-174.4-12.4000109.5D174 T177 D181 H235D174-N179 HydrophobicContact CB-CB 4.34Å; D174-N179 PolarHBondContact O-N 2.91Å; T177-N179 PolarHBondContact O-N 3.16Å; T177-N179 WeakPolarHBondContact OG1-CB 3.38Å; T177-N179 PolarHBondContact OG1-N 3.35Å; N179-D181 PolarHBondContact OD1-N 3.21Å; N179-D181 VanDerWaalsContact OD1-N 3.1Å; N179-H235 PolarHBondContact O-CE1 3.22Å; N179-H235 VanDerWaalsContact O-CE1 3.23Å
180F96.3Very high96.4Very high27 Ų2712.1 Ų12.112%0.1186%0.064CC..  trans-91.5-13-175.459.6-95.4000113.8A178 R182 V184 S185 A219 H223 V227 W231A178-F180 PolarHBondContact O-N 2.63Å; F180-R182 VanDerWaalsContact C-N 3.28Å; F180-R182 PolarHBondContact O-N 3.46Å; F180-R182 VanDerWaalsContact O-N 3.17Å; F180-V184 HydrophobicContact CB-CB 4.48Å; F180-V184 HydrophobicContact CB-CG1 3.84Å; F180-S185 WeakPolarHBondContact O-CB 3.33Å; F180-S185 PolarHBondContact O-N 3.11Å; F180-S185 PolarHBondContact O-OG 2.87Å; F180-A219 HydrophobicContact CD1-CB 4.32Å; F180-A219 HydrophobicContact CE1-CB 3.91Å; F180-A219 HydrophobicContact CE2-CB 4.21Å; F180-A219 HydrophobicContact CZ-CB 3.86Å; F180-H223 AromaticContact CE1-CD2 3.52Å; F180-H223 AromaticContact CE1-NE2 3.87Å; F180-H223 AromaticContact CZ-CD2 3.46Å; F180-H223 VanDerWaalsContact CZ-CD2 3.46Å; F180-H223 WeakPolarHBondContact CZ-CD2 3.17Å; F180-H223 AromaticContact CZ-NE2 3.44Å; F180-H223 WeakPolarHBondContact CZ-NE2 3.47Å; F180-V227 HydrophobicContact CD1-CG2 3.81Å; F180-V227 HydrophobicContact CE1-CG2 3.43Å; F180-V227 VanDerWaalsContact CE1-CG2 3.43Å; F180-V227 HydrophobicContact CZ-CG2 4.17Å; F180-W231 HydrophobicContact CB-CB 4.15Å; F180-W231 HydrophobicContact CB-CD2 3.6Å; F180-W231 HydrophobicContact CB-CE3 3.99Å; F180-W231 HydrophobicContact CB-CG 3.66Å; F180-W231 AromaticContact CD1-CD1 3.96Å; F180-W231 HydrophobicContact CD1-CG 4.46Å; F180-W231 AromaticContact CD1-NE1 3.98Å; F180-W231 HydrophobicContact CD2-CD2 4.3Å; F180-W231 AromaticContact CD2-CE2 3.74Å; F180-W231 HydrophobicContact CD2-CH2 4.37Å; F180-W231 AromaticContact CD2-CZ2 3.79Å; F180-W231 HydrophobicContact CD2-CZ2 3.79Å; F180-W231 AromaticContact CD2-NE1 3.92Å; F180-W231 HydrophobicContact CE2-CZ2 4.32Å; F180-W231 AromaticContact CG-CD1 3.9Å; F180-W231 HydrophobicContact CG-CD2 4Å; F180-W231 AromaticContact CG-CE2 3.79Å; F180-W231 HydrophobicContact CG-CG 4.07Å; F180-W231 HydrophobicContact CG-CZ2 4.32Å; F180-W231 AromaticContact CG-NE1 3.72Å
181D95.3Very high96.1Very high41 Ų4117.3 Ų17.322%0.2199%0.089CC..THydrogen-bonded Turntrans-93.644.9-171-163.625.8000112.8N179 N203 A219N179-D181 PolarHBondContact OD1-N 3.21Å; N179-D181 VanDerWaalsContact OD1-N 3.1Å; D181-N203 VanDerWaalsContact CG-ND2 3.28Å; D181-N203 PolarHBondContact O-ND2 2.94Å; D181-N203 PolarHBondContact OD2-ND2 3.48Å; D181-A219 HydrophobicContact CB-CB 3.72Å
182R94.9Very high95.9Very high0 Ų025.4 Ų25.40%012%0.119CC..THydrogen-bonded Turntrans-147.1-114.4178.7-65.6177.2176.8-79.5-6.3110.1D174 F180 V184 S185 N186 T201 N202 N203 I215 N217D174-R182 WeakPolarHBondContact OD1-CD 3.47Å; D174-R182 IonicContact OD1-NE 2.89Å; D174-R182 WeakPolarHBondContact OD2-CD 3.49Å; F180-R182 VanDerWaalsContact C-N 3.28Å; F180-R182 PolarHBondContact O-N 3.46Å; F180-R182 VanDerWaalsContact O-N 3.17Å; R182-V184 PolarHBondContact O-N 3.12Å; R182-S185 PolarHBondContact N-OG 3.29Å; R182-S185 PolarHBondContact O-OG 3.11Å; R182-N186 PolarHBondContact O-N 2.69Å; R182-N186 PolarHBondContact O-OD1 2.91Å; R182-T201 HydrophobicContact CB-CG2 4.31Å; R182-N202 WeakPolarHBondContact CG-O 3.49Å; R182-N203 HydrophobicContact CG-CB 4.31Å; R182-N203 PolarHBondContact NH1-O 2.88Å; R182-N203 PolarHBondContact NH2-O 3.27Å; R182-N203 VanDerWaalsContact NH2-O 3.11Å; R182-I215 PolarHBondContact NH2-O 3.36Å; R182-N217 PolarHBondContact NH2-OD1 3.49Å
183L94.2Very high95.7Very high4 Ų427.1 Ų27.12%0.02113%0.128CC..Hα-helixtrans-69.8-34.2-177.5-17257.5000112.2T135 W167 I171 N186 L187 M197 V238T135-L183 HydrophobicContact CG2-CD1 3.83Å; T135-L183 WeakPolarHBondContact OG1-CD1 3.35Å; W167-L183 HydrophobicContact CZ3-CD2 4.16Å; I171-L183 HydrophobicContact CD1-CD2 4.07Å; I171-L183 HydrophobicContact CG1-CD2 4.16Å; L183-N186 WeakPolarHBondContact O-CB 3.12Å; L183-N186 PolarHBondContact O-N 3.43Å; L183-L187 PolarHBondContact O-N 3.33Å; L183-M197 HydrophobicContact CD1-CE 3.7Å; L183-M197 HydrophobicContact CD1-SD 3.98Å; L183-V238 HydrophobicContact CD2-CG1 3.59Å; L183-V238 HydrophobicContact CD2-CG2 4.21Å; L183-V238 HydrophobicContact CG-CG1 4.36Å; L183-V238 HydrophobicContact CG-CG2 4.18Å
184V95.4Very high95.4Very high4 Ų431.6 Ų31.62%0.02416%0.157CC..Hα-helixtrans-64.5-44.1178.6159.80000112.1F180 R182 N186 L187 F188 W231 Y234 V238F180-V184 HydrophobicContact CB-CB 4.48Å; F180-V184 HydrophobicContact CB-CG1 3.84Å; R182-V184 PolarHBondContact O-N 3.12Å; V184-N186 VanDerWaalsContact C-N 3.29Å; V184-N186 PolarHBondContact O-N 2.87Å; V184-L187 PolarHBondContact O-N 3.45Å; V184-F188 PolarHBondContact O-N 3.38Å; V184-W231 HydrophobicContact CG1-CB 4.24Å; V184-W231 HydrophobicContact CG1-CD2 4.22Å; V184-W231 HydrophobicContact CG1-CE3 3.47Å; V184-W231 VanDerWaalsContact CG1-CE3 3.47Å; V184-W231 HydrophobicContact CG1-CZ3 4.15Å; V184-Y234 HydrophobicContact CG1-CG 4.49Å; V184-V238 HydrophobicContact CG2-CG2 4.06Å
185S94.5Very high95.1Very high13 Ų1336.2 Ų36.29%0.09118%0.178CC..Hα-helixtrans-64.1-34.417450.70000112.2F180 R182 F188 S189F180-S185 WeakPolarHBondContact O-CB 3.33Å; F180-S185 PolarHBondContact O-N 3.11Å; F180-S185 PolarHBondContact O-OG 2.87Å; R182-S185 PolarHBondContact N-OG 3.29Å; R182-S185 PolarHBondContact O-OG 3.11Å; S185-F188 PolarHBondContact O-N 3.08Å; S185-S189 WeakPolarHBondContact O-CB 3.32Å; S185-S189 PolarHBondContact O-N 3.24Å; S185-S189 PolarHBondContact O-OG 3.15Å
186N93.4Very high94.8Very high7 Ų736.7 Ų36.74%0.03718%0.182CC..Hα-helixtrans-64.9-46.5174-72.56.2000110.7R182 L183 V184 F188 S189 L190 V196 M197R182-N186 PolarHBondContact O-N 2.69Å; R182-N186 PolarHBondContact O-OD1 2.91Å; L183-N186 WeakPolarHBondContact O-CB 3.12Å; L183-N186 PolarHBondContact O-N 3.43Å; V184-N186 VanDerWaalsContact C-N 3.29Å; V184-N186 PolarHBondContact O-N 2.87Å; N186-F188 VanDerWaalsContact C-N 3.33Å; N186-F188 PolarHBondContact O-N 3.43Å; N186-S189 PolarHBondContact O-N 2.82Å; N186-L190 PolarHBondContact O-N 3.47Å; N186-V196 HydrophobicContact CB-CG2 4.31Å; N186-V196 WeakPolarHBondContact O-CG1 3.46Å; N186-M197 HydrophobicContact CB-SD 3.7Å
187L93Very high94.4Very high18 Ų1837 Ų379%0.09418%0.183CC..Hα-helixtrans-60.5-40.9175.2-74.8-171.6000112.9Q141 L183 V184 S189 L190 M197 Y234 V238Q141-L187 HydrophobicContact CG-CD2 4.46Å; L183-L187 PolarHBondContact O-N 3.33Å; V184-L187 PolarHBondContact O-N 3.45Å; L187-S189 VanDerWaalsContact C-N 3.25Å; L187-S189 PolarHBondContact O-N 3.05Å; L187-L190 HydrophobicContact CD2-CD1 3.71Å; L187-L190 WeakPolarHBondContact O-CB 3.17Å; L187-L190 PolarHBondContact O-N 3.32Å; L187-M197 HydrophobicContact CD2-CE 3.68Å; L187-M197 HydrophobicContact CD2-SD 3.99Å; L187-M197 HydrophobicContact CG-CE 4.48Å; L187-Y234 HydrophobicContact CB-CD1 4.04Å; L187-V238 HydrophobicContact CD1-CG2 3.32Å; L187-V238 HydrophobicContact CG-CG2 4.29Å
188F93.5Very high94.2Very high57 Ų5742.1 Ų42.125%0.2521%0.207CC..Hα-helixtrans-61.4-37.2174176.5-104.3000111.9V184 S185 N186 L190 Q191 W192 W231 Y234V184-F188 PolarHBondContact O-N 3.38Å; S185-F188 PolarHBondContact O-N 3.08Å; N186-F188 VanDerWaalsContact C-N 3.33Å; N186-F188 PolarHBondContact O-N 3.43Å; F188-L190 VanDerWaalsContact C-N 3.28Å; F188-L190 PolarHBondContact O-N 3.49Å; F188-Q191 VanDerWaalsContact CE2-NE2 3.31Å; F188-Q191 WeakPolarHBondContact O-CG 3.4Å; F188-Q191 PolarHBondContact O-NE2 2.94Å; F188-W192 HydrophobicContact CD1-CH2 4Å; F188-W192 AromaticContact CD1-CZ3 3.63Å; F188-W192 HydrophobicContact CD1-CZ3 3.63Å; F188-W192 AromaticContact CE1-CH2 3.22Å; F188-W192 HydrophobicContact CE1-CH2 3.22Å; F188-W192 AromaticContact CE1-CZ3 3.29Å; F188-W192 HydrophobicContact CE1-CZ3 3.29Å; F188-W192 HydrophobicContact CE2-CH2 4.37Å; F188-W192 AromaticContact CZ-CH2 3.43Å; F188-W192 HydrophobicContact CZ-CH2 3.43Å; F188-W192 VanDerWaalsContact CZ-CH2 3.43Å; F188-W192 HydrophobicContact CZ-CZ2 4.46Å; F188-W192 AromaticContact CZ-CZ3 3.97Å; F188-W192 HydrophobicContact CZ-CZ3 3.97Å; F188-W231 HydrophobicContact CB-CE3 4.49Å; F188-W231 HydrophobicContact CB-CH2 4.47Å; F188-W231 HydrophobicContact CB-CZ3 3.66Å; F188-W231 HydrophobicContact CD1-CH2 4.07Å; F188-W231 HydrophobicContact CD1-CZ3 4.08Å; F188-W231 HydrophobicContact CD2-CZ3 4.22Å; F188-W231 HydrophobicContact CE1-CH2 4.45Å; F188-W231 HydrophobicContact CG-CH2 4.19Å; F188-W231 AromaticContact CG-CZ3 3.75Å; F188-W231 HydrophobicContact CG-CZ3 3.75Å; F188-Y234 HydrophobicContact CB-CE1 4.38Å; F188-Y234 HydrophobicContact CB-CE2 4.18Å; F188-Y234 AromaticContact CD2-CE2 3.57Å; F188-Y234 HydrophobicContact CD2-CE2 3.57Å; F188-Y234 AromaticContact CD2-CZ 3.57Å; F188-Y234 VanDerWaalsContact CD2-OH 3.32Å; F188-Y234 WeakPolarHBondContact CD2-OH 3.46Å; F188-Y234 HydrophobicContact CE2-CE2 4.46Å; F188-Y234 HydrophobicContact CG-CE2 4.35Å
189S94.4Very high93.9Very high34 Ų3448.7 Ų48.724%0.23823%0.232CC..Hα-helixtrans-74.9-15.1-176.9-60.40000113.9S185 N186 L187 Q191 W192 D193S185-S189 WeakPolarHBondContact O-CB 3.32Å; S185-S189 PolarHBondContact O-N 3.24Å; S185-S189 PolarHBondContact O-OG 3.15Å; N186-S189 PolarHBondContact O-N 2.82Å; L187-S189 VanDerWaalsContact C-N 3.25Å; L187-S189 PolarHBondContact O-N 3.05Å; S189-Q191 PolarHBondContact O-N 3.4Å; S189-Q191 VanDerWaalsContact O-N 3.08Å; S189-W192 PolarHBondContact O-N 3.22Å; S189-D193 PolarHBondContact O-N 3.24Å
190L91.8Very high93.8Very high31 Ų3153.1 Ų53.116%0.16226%0.255CS..THydrogen-bonded Turntrans-57.1-25.2176.9-77.3168.5000113.6Q141 N186 L187 F188 W192 V196 M197Q141-L190 HydrophobicContact CB-CD1 4.5Å; Q141-L190 HydrophobicContact CG-CD1 4.04Å; N186-L190 PolarHBondContact O-N 3.47Å; L187-L190 HydrophobicContact CD2-CD1 3.71Å; L187-L190 WeakPolarHBondContact O-CB 3.17Å; L187-L190 PolarHBondContact O-N 3.32Å; F188-L190 VanDerWaalsContact C-N 3.28Å; F188-L190 PolarHBondContact O-N 3.49Å; L190-W192 PolarHBondContact O-N 3.23Å; L190-V196 HydrophobicContact CD2-CG1 3.73Å; L190-V196 HydrophobicContact CG-CG1 3.8Å; L190-M197 HydrophobicContact CD1-CG 4.04Å; L190-M197 HydrophobicContact CD2-CG 3.85Å; L190-M197 HydrophobicContact CG-CG 4.13Å
191Q93.3Very high93.8Very high111 Ų11152 Ų5252%0.51925%0.251SS..THydrogen-bonded Turntrans-66.2-17.6176.775.2-169.8-59.700113.3F188 S189F188-Q191 VanDerWaalsContact CE2-NE2 3.31Å; F188-Q191 WeakPolarHBondContact O-CG 3.4Å; F188-Q191 PolarHBondContact O-NE2 2.94Å; S189-Q191 PolarHBondContact O-N 3.4Å; S189-Q191 VanDerWaalsContact O-N 3.08Å
192W95.1Very high93.8Very high174 Ų17453.6 Ų53.666%0.65926%0.259SS*.THydrogen-bonded Turntrans-118.7-28.2178.2-54.9-63.3000113.2F188 S189 L190F188-W192 HydrophobicContact CD1-CH2 4Å; F188-W192 AromaticContact CD1-CZ3 3.63Å; F188-W192 HydrophobicContact CD1-CZ3 3.63Å; F188-W192 AromaticContact CE1-CH2 3.22Å; F188-W192 HydrophobicContact CE1-CH2 3.22Å; F188-W192 AromaticContact CE1-CZ3 3.29Å; F188-W192 HydrophobicContact CE1-CZ3 3.29Å; F188-W192 HydrophobicContact CE2-CH2 4.37Å; F188-W192 AromaticContact CZ-CH2 3.43Å; F188-W192 HydrophobicContact CZ-CH2 3.43Å; F188-W192 VanDerWaalsContact CZ-CH2 3.43Å; F188-W192 HydrophobicContact CZ-CZ2 4.46Å; F188-W192 AromaticContact CZ-CZ3 3.97Å; F188-W192 HydrophobicContact CZ-CZ3 3.97Å; S189-W192 PolarHBondContact O-N 3.22Å; L190-W192 PolarHBondContact O-N 3.23Å
193D94.6Very high93.8Very high35 Ų3555.2 Ų55.219%0.18727%0.268CS..  trans-136102.2-177.2-171.7-13.1000111.3S189 H195 V196 R199S189-D193 PolarHBondContact O-N 3.24Å; D193-H195 PolarHBondContact O-N 2.69Å; D193-H195 VanDerWaalsContact O-N 3.15Å; D193-H195 PolarHBondContact OD1-N 2.66Å; D193-V196 HydrophobicContact CB-CB 4.26Å; D193-V196 WeakPolarHBondContact O-CG1 3.37Å; D193-V196 PolarHBondContact O-N 2.78Å; D193-R199 IonicContact OD1-NH2 2.88Å; D193-R199 IonicContact OD2-CZ 3.1Å; D193-R199 IonicContact OD2-NH1 2.56Å; D193-R199 PolarHBondContact OD2-NH1 3.31Å; D193-R199 IonicContact OD2-NH2 2.75Å; D193-R199 PolarHBondContact OD2-NH2 2.64Å
194P91.2Very high93.9Very high95 Ų9555 Ų5562%0.61727%0.267SS*.THydrogen-bonded Turntrans-66-17.2-177.725.5-32.1000113.4
195H92.3Very high94Very high105 Ų10557 Ų5749%0.48628%0.277SS..THydrogen-bonded Turntrans-99.55.6-178.1-54.490.6000112.9D193 M197 E198D193-H195 PolarHBondContact O-N 2.69Å; D193-H195 VanDerWaalsContact O-N 3.15Å; D193-H195 PolarHBondContact OD1-N 2.66Å; H195-M197 PolarHBondContact O-N 3.43Å; H195-M197 VanDerWaalsContact O-N 3.14Å; H195-E198 IonicContact CD2-OE2 3.04Å; H195-E198 WeakPolarHBondContact O-CB 3.41Å; H195-E198 PolarHBondContact O-N 2.86Å
196V93.3Very high94.1Very high14 Ų1458.6 Ų58.69%0.08528%0.282CS..G310 helixtrans-59.4-29.5-17769.50000112.9N186 L190 D193 E198 R199N186-V196 HydrophobicContact CB-CG2 4.31Å; N186-V196 WeakPolarHBondContact O-CG1 3.46Å; L190-V196 HydrophobicContact CD2-CG1 3.73Å; L190-V196 HydrophobicContact CG-CG1 3.8Å; D193-V196 HydrophobicContact CB-CB 4.26Å; D193-V196 WeakPolarHBondContact O-CG1 3.37Å; D193-V196 PolarHBondContact O-N 2.78Å; V196-E198 PolarHBondContact O-N 3.21Å; V196-R199 PolarHBondContact O-N 3.27Å
197M91.3Very high94.2Very high7 Ų758.9 Ų58.93%0.03428%0.284CS..G310 helixtrans-75.9-8.4177.3-63-70.1-81.200113.6T135 L139 R140 L183 N186 L187 L190 H195T135-M197 HydrophobicContact CG2-CE 3.85Å; L139-M197 WeakPolarHBondContact O-CE 3.47Å; R140-M197 HydrophobicContact CG-CB 4.41Å; L183-M197 HydrophobicContact CD1-CE 3.7Å; L183-M197 HydrophobicContact CD1-SD 3.98Å; N186-M197 HydrophobicContact CB-SD 3.7Å; L187-M197 HydrophobicContact CD2-CE 3.68Å; L187-M197 HydrophobicContact CD2-SD 3.99Å; L187-M197 HydrophobicContact CG-CE 4.48Å; L190-M197 HydrophobicContact CD1-CG 4.04Å; L190-M197 HydrophobicContact CD2-CG 3.85Å; L190-M197 HydrophobicContact CG-CG 4.13Å; H195-M197 PolarHBondContact O-N 3.43Å; H195-M197 VanDerWaalsContact O-N 3.14Å
198E92.8Very high94.2Very high107 Ų10762.8 Ų62.850%0.531%0.311SS..G310 helixtrans-98.9-1.3175.7-52.7-170.9153.500112.5V134 R140 H195 V196V134-E198 VanDerWaalsContact CG1-C 3.47Å; V134-E198 WeakPolarHBondContact CG1-O 3.42Å; R140-E198 IonicContact NH1-OE1 3.94Å; H195-E198 IonicContact CD2-OE2 3.04Å; H195-E198 WeakPolarHBondContact O-CB 3.41Å; H195-E198 PolarHBondContact O-N 2.86Å; V196-E198 PolarHBondContact O-N 3.21Å
199R93.8Very high94.1Very high138 Ų13868 Ų6852%0.52134%0.335SS..SBendtrans-97.5171.8174.7-60.5-173.2-176.4146.314111D193 V196 T201D193-R199 IonicContact OD1-NH2 2.88Å; D193-R199 IonicContact OD2-CZ 3.1Å; D193-R199 IonicContact OD2-NH1 2.56Å; D193-R199 PolarHBondContact OD2-NH1 3.31Å; D193-R199 IonicContact OD2-NH2 2.75Å; D193-R199 PolarHBondContact OD2-NH2 2.64Å; V196-R199 PolarHBondContact O-N 3.27Å; R199-T201 PolarHBondContact O-N 2.81Å
200D95.8Very high94Very high93 Ų9367.6 Ų67.650%0.49734%0.337SS..EExtended strand (participates in β ladder)trans-57.9133.7173.4-68.8-23.9000110.7G132 V133G132-D200 VanDerWaalsContact CA-CG 3.5Å; G132-D200 WeakPolarHBondContact CA-OD1 3.27Å; V133-D200 PolarHBondContact N-OD1 3.18Å
201T96.1Very high94.2Very high4 Ų466.9 Ų66.93%0.02533%0.334CS..EExtended strand (participates in β ladder)trans-76.2125.1176.5-55.70000108.6V133 T135 W167 R182 R199 N203 L204V133-T201 WeakPolarHBondContact O-CB 3.36Å; V133-T201 PolarHBondContact O-N 3.19Å; V133-T201 PolarHBondContact O-OG1 3.26Å; T135-T201 PolarHBondContact OG1-OG1 3.32Å; W167-T201 HydrophobicContact CH2-CG2 4.08Å; W167-T201 WeakPolarHBondContact CH2-OG1 3.13Å; R182-T201 HydrophobicContact CB-CG2 4.31Å; R199-T201 PolarHBondContact O-N 2.81Å; T201-N203 PolarHBondContact O-N 3.4Å; T201-L204 HydrophobicContact CG2-CB 4.08Å; T201-L204 HydrophobicContact CG2-CD2 4.18Å; T201-L204 PolarHBondContact O-N 3.05Å
202N94.2Very high94.4Very high75 Ų7561.6 Ų61.640%0.40131%0.309SS..EExtended strand (participates in β ladder)trans-50.9139.6178.6-71.7-14.3000111R182 L204R182-N202 WeakPolarHBondContact CG-O 3.49Å; N202-L204 PolarHBondContact O-N 3.19Å
203N95.3Very high94.5Very high34 Ų3453.3 Ų53.318%0.18228%0.277CS..EExtended strand (participates in β ladder)trans58.610.6172.1-55.3-39.4000115.3D181 R182 T201 I215 D216D181-N203 VanDerWaalsContact CG-ND2 3.28Å; D181-N203 PolarHBondContact O-ND2 2.94Å; D181-N203 PolarHBondContact OD2-ND2 3.48Å; R182-N203 HydrophobicContact CG-CB 4.31Å; R182-N203 PolarHBondContact NH1-O 2.88Å; R182-N203 PolarHBondContact NH2-O 3.27Å; R182-N203 VanDerWaalsContact NH2-O 3.11Å; T201-N203 PolarHBondContact O-N 3.4Å; N203-I215 HydrophobicContact CB-CG1 4.47Å; N203-I215 WeakPolarHBondContact CB-O 3.44Å; N203-I215 WeakPolarHBondContact O-CG1 3.42Å; N203-I215 PolarHBondContact O-N 2.87Å; N203-I215 VanDerWaalsContact O-N 3.12Å; N203-I215 VanDerWaalsContact O-O 3.05Å; N203-D216 HydrophobicContact CB-CB 3.85Å; N203-D216 VanDerWaalsContact CG-CB 3.42Å; N203-D216 VanDerWaalsContact OD1-CB 3.29Å; N203-D216 WeakPolarHBondContact OD1-CB 3.46Å
204L97.5Very high94.6Very high0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-116.6120.1175.6-176.465.3000109.1V133 W167 L170 T201 N202 L212 F214V133-L204 HydrophobicContact CB-CD2 4.12Å; V133-L204 HydrophobicContact CB-CG 4.16Å; V133-L204 HydrophobicContact CG1-CD2 4.16Å; V133-L204 HydrophobicContact CG2-CG 4.26Å; W167-L204 HydrophobicContact CD2-CD2 4.48Å; W167-L204 HydrophobicContact CE3-CD2 4.45Å; W167-L204 HydrophobicContact CH2-CD2 3.34Å; W167-L204 HydrophobicContact CZ2-CD2 3.35Å; W167-L204 HydrophobicContact CZ3-CD2 3.91Å; L170-L204 HydrophobicContact CD2-CD1 3.81Å; L170-L204 HydrophobicContact CD2-CD2 3.6Å; L170-L204 HydrophobicContact CD2-CG 4.27Å; T201-L204 HydrophobicContact CG2-CB 4.08Å; T201-L204 HydrophobicContact CG2-CD2 4.18Å; T201-L204 PolarHBondContact O-N 3.05Å; N202-L204 PolarHBondContact O-N 3.19Å; L204-L212 HydrophobicContact CD1-CB 4.1Å; L204-L212 HydrophobicContact CD1-CD1 4.36Å; L204-F214 HydrophobicContact CD1-CD1 3.57Å; L204-F214 HydrophobicContact CD1-CE1 3.83Å
205L97.2Very high94.8Very high44 Ų4449.3 Ų49.323%0.2325%0.25CS..EExtended strand (participates in β ladder)trans-126.2164.2-179.5-62.1178.3000111L130 T131 V133 L212 V213 I215L130-L205 HydrophobicContact CB-CB 3.93Å; L130-L205 HydrophobicContact CB-CD1 3.74Å; L130-L205 HydrophobicContact CB-CG 4.39Å; L130-L205 HydrophobicContact CD1-CB 3.92Å; L130-L205 HydrophobicContact CD1-CD1 3.59Å; L130-L205 HydrophobicContact CD1-CG 4.41Å; L130-L205 HydrophobicContact CG-CB 4.36Å; L130-L205 HydrophobicContact CG-CD1 4.32Å; T131-L205 CarbonylContact O-C 3.47Å; T131-L205 WeakPolarHBondContact O-CA 3.42Å; V133-L205 VanDerWaalsContact CG2-C 3.41Å; L205-L212 CarbonylContact O-C 3.58Å; L205-L212 WeakPolarHBondContact O-CA 3.33Å; L205-V213 PolarHBondContact N-O 3.32Å; L205-V213 PolarHBondContact O-N 3.1Å; L205-I215 HydrophobicContact CD1-CD1 3.4Å; L205-I215 VanDerWaalsContact CD1-CD1 3.4Å; L205-I215 HydrophobicContact CD1-CG1 4.26Å; L205-I215 HydrophobicContact CG-CD1 3.92Å; L205-I215 HydrophobicContact CG-CG1 4.38Å
206K96.4Very high94.9Very high47 Ų4745 Ų4520%0.20423%0.231CC..EExtended strand (participates in β ladder)trans-127.2140.2179.6-179.2160.272.5-174.10110.9L130 T131 V133 E163 N211 L212L130-K206 WeakPolarHBondContact CA-O 3.34Å; T131-K206 PolarHBondContact N-O 2.99Å; T131-K206 PolarHBondContact O-N 3.04Å; T131-K206 PolarHBondContact OG1-O 3.03Å; V133-K206 HydrophobicContact CG2-CB 3.41Å; V133-K206 VanDerWaalsContact CG2-CB 3.41Å; E163-K206 VanDerWaalsContact CD-NZ 3.27Å; E163-K206 IonicContact OE1-NZ 2.78Å; E163-K206 PolarHBondContact OE1-NZ 3.22Å; E163-K206 IonicContact OE2-NZ 2.73Å; E163-K206 PolarHBondContact OE2-NZ 2.69Å; K206-N211 WeakPolarHBondContact CA-O 3.37Å; K206-L212 HydrophobicContact CB-CD2 4.23Å; K206-L212 HydrophobicContact CD-CD2 4.16Å; K206-L212 HydrophobicContact CG-CD2 4.43Å
207T95.8Very high95Very high13 Ų1344.7 Ų44.78%0.0823%0.229CC..  trans-76.4165.2169.833.30000113.5R18 L130 H209 G210 N211R18-T207 PolarHBondContact NH1-OG1 3.48Å; R18-T207 VanDerWaalsContact NH1-OG1 3.12Å; L130-T207 HydrophobicContact CD2-CG2 3.65Å; T207-H209 PolarHBondContact O-N 3.16Å; T207-G210 PolarHBondContact O-N 2.69Å; T207-N211 PolarHBondContact N-O 3.37Å; T207-N211 WeakPolarHBondContact OG1-CB 3.47Å; T207-N211 PolarHBondContact OG1-N 3.42Å; T207-N211 PolarHBondContact OG1-O 3.15Å; T207-N211 VanDerWaalsContact OG1-O 3.07Å
208P93.5Very high95.1Very high100 Ų10044.4 Ų44.465%0.64923%0.227SC*.THydrogen-bonded Turntrans-54.2-25.4169.5-25.936.7000113.9N129N129-P208 HydrophobicContact CB-CG 4.25Å; N129-P208 WeakPolarHBondContact O-CD 3.25Å
209H90.8Very high95.2Very high166 Ų16639.6 Ų39.677%0.76921%0.206SC*.THydrogen-bonded Turntrans-89.15.5177.7-56.4-59.1000114.6T207T207-H209 PolarHBondContact O-N 3.16Å
210G92.3Very high95.3Very high26 Ų2633 Ų3327%0.26818%0.181SC..SBendtrans87.5-3176.300000116.1T207T207-G210 PolarHBondContact O-N 2.69Å
211N94.8Very high95.4Very high17 Ų1728.6 Ų28.69%0.09116%0.157CC..  trans-75.4132.5176.7-54.2-64000111.7P16 K206 T207P16-N211 WeakPolarHBondContact CD-OD1 3.19Å; P16-N211 VanDerWaalsContact CG-OD1 3.22Å; P16-N211 WeakPolarHBondContact CG-OD1 3.31Å; K206-N211 WeakPolarHBondContact CA-O 3.37Å; T207-N211 PolarHBondContact N-O 3.37Å; T207-N211 WeakPolarHBondContact OG1-CB 3.47Å; T207-N211 PolarHBondContact OG1-N 3.42Å; T207-N211 PolarHBondContact OG1-O 3.15Å; T207-N211 VanDerWaalsContact OG1-O 3.07Å
212L97.6Very high95.4Very high0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-73.9144.5171.8-57-171.6000110.5N87 V133 E163 Q166 W167 L204 L205 K206 F214N87-L212 PolarHBondContact ND2-O 2.91Å; V133-L212 HydrophobicContact CB-CD2 4.5Å; V133-L212 HydrophobicContact CG1-CD2 3.82Å; V133-L212 HydrophobicContact CG2-CD2 3.96Å; E163-L212 HydrophobicContact CG-CD2 4.43Å; Q166-L212 HydrophobicContact CB-CB 4.25Å; Q166-L212 HydrophobicContact CB-CD1 3.6Å; Q166-L212 HydrophobicContact CB-CG 3.87Å; W167-L212 HydrophobicContact CD2-CD1 4.41Å; W167-L212 HydrophobicContact CG-CD1 4.12Å; L204-L212 HydrophobicContact CD1-CB 4.1Å; L204-L212 HydrophobicContact CD1-CD1 4.36Å; L205-L212 CarbonylContact O-C 3.58Å; L205-L212 WeakPolarHBondContact O-CA 3.33Å; K206-L212 HydrophobicContact CB-CD2 4.23Å; K206-L212 HydrophobicContact CD-CD2 4.16Å; K206-L212 HydrophobicContact CG-CD2 4.43Å; L212-F214 HydrophobicContact CB-CD1 4.46Å; L212-F214 HydrophobicContact CB-CE1 3.87Å
213V97.8Very high95.4Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-126.7122.3177.8-170.20000108.8F19 N87 P89 L130 L205 I215F19-V213 HydrophobicContact CE2-CG1 4.46Å; N87-V213 WeakPolarHBondContact O-CA 2.97Å; P89-V213 HydrophobicContact CG-CG1 3.74Å; L130-V213 HydrophobicContact CD1-CB 4.45Å; L130-V213 HydrophobicContact CD2-CG2 3.91Å; L205-V213 PolarHBondContact N-O 3.32Å; L205-V213 PolarHBondContact O-N 3.1Å; V213-I215 HydrophobicContact CG1-CG2 3.73Å; V213-I215 PolarHBondContact O-N 2.54Å
214F97.4Very high95.5Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-93.291.1-176.8-57.2-3.8000107.9I85 N87 L88 L170 F173 L204 L212 N217I85-F214 HydrophobicContact CG2-CD2 4.34Å; I85-F214 HydrophobicContact CG2-CE2 3.82Å; N87-F214 HydrophobicContact CB-CD1 3.9Å; N87-F214 HydrophobicContact CB-CD2 3.92Å; N87-F214 HydrophobicContact CB-CE1 3.79Å; N87-F214 HydrophobicContact CB-CE2 3.81Å; N87-F214 HydrophobicContact CB-CG 3.94Å; N87-F214 HydrophobicContact CB-CZ 3.72Å; N87-F214 PolarHBondContact O-N 2.89Å; L88-F214 HydrophobicContact CD1-CB 3.88Å; L88-F214 HydrophobicContact CD1-CD2 3.55Å; L88-F214 HydrophobicContact CD1-CE2 4.43Å; L88-F214 HydrophobicContact CD1-CG 4.11Å; L88-F214 HydrophobicContact CG-CB 3.95Å; L170-F214 HydrophobicContact CB-CE1 4Å; L170-F214 HydrophobicContact CB-CE2 4.1Å; L170-F214 HydrophobicContact CB-CZ 3.58Å; L170-F214 HydrophobicContact CD1-CD1 3.87Å; L170-F214 HydrophobicContact CD1-CD2 3.81Å; L170-F214 HydrophobicContact CD1-CE1 3.82Å; L170-F214 HydrophobicContact CD1-CE2 3.75Å; L170-F214 HydrophobicContact CD1-CG 3.91Å; L170-F214 HydrophobicContact CD1-CZ 3.78Å; L170-F214 HydrophobicContact CD2-CE1 4.41Å; L170-F214 HydrophobicContact CG-CE1 4.29Å; L170-F214 HydrophobicContact CG-CZ 4.21Å; F173-F214 AromaticContact CD1-CD2 3.95Å; F173-F214 HydrophobicContact CD1-CD2 3.95Å; F173-F214 HydrophobicContact CD1-CE2 4.3Å; F173-F214 HydrophobicContact CE1-CD2 4.23Å; L204-F214 HydrophobicContact CD1-CD1 3.57Å; L204-F214 HydrophobicContact CD1-CE1 3.83Å; L212-F214 HydrophobicContact CB-CD1 4.46Å; L212-F214 HydrophobicContact CB-CE1 3.87Å; F214-N217 PolarHBondContact O-ND2 2.98Å
215I95.3Very high95.5Very high45 Ų4525.7 Ų25.723%0.23114%0.14CC..  trans-97.2172.7177.164.4161.4000110.8P89 R182 N203 L205 V213 N217P89-I215 HydrophobicContact CG-CG2 4.44Å; R182-I215 PolarHBondContact NH2-O 3.36Å; N203-I215 HydrophobicContact CB-CG1 4.47Å; N203-I215 WeakPolarHBondContact CB-O 3.44Å; N203-I215 WeakPolarHBondContact O-CG1 3.42Å; N203-I215 PolarHBondContact O-N 2.87Å; N203-I215 VanDerWaalsContact O-N 3.12Å; N203-I215 VanDerWaalsContact O-O 3.05Å; L205-I215 HydrophobicContact CD1-CD1 3.4Å; L205-I215 VanDerWaalsContact CD1-CD1 3.4Å; L205-I215 HydrophobicContact CD1-CG1 4.26Å; L205-I215 HydrophobicContact CG-CD1 3.92Å; L205-I215 HydrophobicContact CG-CG1 4.38Å; V213-I215 HydrophobicContact CG1-CG2 3.73Å; V213-I215 PolarHBondContact O-N 2.54Å; I215-N217 PolarHBondContact O-N 3.37Å
216D93.9Very high95.4Very high16 Ų1629.8 Ų29.89%0.08615%0.153CC..  trans44.364.6179.7-140.3-23.3000116.5R62 N203 E218R62-D216 IonicContact CZ-OD1 2.83Å; R62-D216 IonicContact NE-OD1 2.82Å; R62-D216 VanDerWaalsContact NH1-CA 3.26Å; R62-D216 IonicContact NH1-OD1 2.97Å; N203-D216 HydrophobicContact CB-CB 3.85Å; N203-D216 VanDerWaalsContact CG-CB 3.42Å; N203-D216 VanDerWaalsContact OD1-CB 3.29Å; N203-D216 WeakPolarHBondContact OD1-CB 3.46Å; D216-E218 VanDerWaalsContact C-N 3.32Å; D216-E218 WeakPolarHBondContact OD1-CG 3.28Å
217N95.8Very high95.4Very high6 Ų629.4 Ų29.43%0.03215%0.154CC..  trans-94.818.6-179.9-56.1-63.9000112.8T76 R182 F214 I215 A219 G220T76-N217 HydrophobicContact CG2-CB 3.72Å; R182-N217 PolarHBondContact NH2-OD1 3.49Å; F214-N217 PolarHBondContact O-ND2 2.98Å; I215-N217 PolarHBondContact O-N 3.37Å; N217-A219 PolarHBondContact O-N 3.21Å; N217-G220 PolarHBondContact O-N 3.48Å; N217-G220 VanDerWaalsContact O-N 3.12Å
218E94Very high95.4Very high1 Ų129.8 Ų29.81%0.00516%0.156CC..THydrogen-bonded Turntrans-61.1-24.7177.6-69.7-178.4-173.400112.8R45 N48 R62 Q69 E73 D216 G220R45-E218 IonicContact CZ-OE2 2.69Å; R45-E218 IonicContact NH1-OE2 3.69Å; R45-E218 PolarHBondContact NH1-OE2 2.89Å; N48-E218 PolarHBondContact ND2-OE1 3.24Å; R62-E218 WeakPolarHBondContact CB-OE1 3.42Å; R62-E218 WeakPolarHBondContact CD-OE1 3.01Å; R62-E218 VanDerWaalsContact CG-OE1 3.3Å; R62-E218 WeakPolarHBondContact CG-OE1 3.33Å; R62-E218 IonicContact NE-OE1 2.69Å; Q69-E218 HydrophobicContact CB-CB 4.05Å; Q69-E218 HydrophobicContact CB-CG 4.31Å; Q69-E218 HydrophobicContact CG-CB 4.34Å; E73-E218 HydrophobicContact CB-CG 4.45Å; D216-E218 VanDerWaalsContact C-N 3.32Å; D216-E218 WeakPolarHBondContact OD1-CG 3.28Å; E218-G220 VanDerWaalsContact C-N 3.28Å
219A94.7Very high95.6Very high6 Ų632.9 Ų32.95%0.0517%0.167CC..THydrogen-bonded Turntrans-82.6-2.3178.900000113.9F180 D181 N217 G224F180-A219 HydrophobicContact CD1-CB 4.32Å; F180-A219 HydrophobicContact CE1-CB 3.91Å; F180-A219 HydrophobicContact CE2-CB 4.21Å; F180-A219 HydrophobicContact CZ-CB 3.86Å; D181-A219 HydrophobicContact CB-CB 3.72Å; N217-A219 PolarHBondContact O-N 3.21Å; A219-G224 VanDerWaalsContact O-CA 3.3Å; A219-G224 WeakPolarHBondContact O-CA 3.2Å; A219-G224 PolarHBondContact O-N 3.45Å
220G95.8Very high95.8Very high0 Ų030.8 Ų30.80%016%0.159CC..SBendtrans-88.5166.4176.800000114.3T177 N217 E218 V222T177-G220 CarbonylContact O-C 3.46Å; T177-G220 WeakPolarHBondContact O-CA 3.45Å; N217-G220 PolarHBondContact O-N 3.48Å; N217-G220 VanDerWaalsContact O-N 3.12Å; E218-G220 VanDerWaalsContact C-N 3.28Å; G220-V222 PolarHBondContact O-N 3.39Å
221L97.6Very high96.1Very high0 Ų031 Ų310%015%0.151CC..THydrogen-bonded Turntrans46-118.4179.5-64.7174.9000111.8L75 L79 T177 H223 G224 F225 L283 L291L75-L221 VanDerWaalsContact C-CD1 3.43Å; L75-L221 HydrophobicContact CB-CD1 3.44Å; L75-L221 VanDerWaalsContact CB-CD1 3.44Å; L79-L221 HydrophobicContact CD2-CD2 4.15Å; T177-L221 HydrophobicContact CG2-CD2 4.36Å; T177-L221 HydrophobicContact CG2-CG 4.25Å; T177-L221 WeakPolarHBondContact O-CA 3.04Å; T177-L221 PolarHBondContact O-N 2.92Å; L221-H223 CarbonylContact O-C 3.54Å; L221-H223 PolarHBondContact O-N 3.31Å; L221-G224 CarbonylContact O-C 3.54Å; L221-G224 WeakPolarHBondContact O-CA 3.46Å; L221-G224 PolarHBondContact O-N 2.81Å; L221-F225 HydrophobicContact CD2-CE1 4.37Å; L221-F225 HydrophobicContact CD2-CE2 3.76Å; L221-F225 HydrophobicContact CD2-CZ 3.54Å; L221-F225 WeakPolarHBondContact O-CB 3.39Å; L221-F225 WeakPolarHBondContact O-CG 3.34Å; L221-F225 PolarHBondContact O-N 3.21Å; L221-L283 HydrophobicContact CB-CD2 4.43Å; L221-L291 HydrophobicContact CD2-CD1 4.24Å
222V96.2Very high96.2Very high7 Ų731.8 Ų31.84%0.04216%0.155CC..Hα-helixtrans-34.8-54.4-175.9-167.70000113.1D68 Q71 L75 G220 R226 L283 H287D68-V222 HydrophobicContact CB-CB 4.48Å; D68-V222 HydrophobicContact CB-CG1 3.72Å; Q71-V222 HydrophobicContact CB-CG2 4.21Å; Q71-V222 HydrophobicContact CG-CG2 3.94Å; L75-V222 HydrophobicContact CD1-CG2 4.35Å; G220-V222 PolarHBondContact O-N 3.39Å; V222-R226 PolarHBondContact O-N 3.01Å; V222-L283 HydrophobicContact CG2-CD2 3.81Å; V222-H287 PolarHBondContact O-CE1 3.26Å
223H94.8Very high96.1Very high30 Ų3038.4 Ų38.414%0.13918%0.183CC..Hα-helixtrans-71.9-48.5179.2-17362.4000112.2F180 L221 F225 R226 V227F180-H223 AromaticContact CE1-CD2 3.52Å; F180-H223 AromaticContact CE1-NE2 3.87Å; F180-H223 AromaticContact CZ-CD2 3.46Å; F180-H223 VanDerWaalsContact CZ-CD2 3.46Å; F180-H223 WeakPolarHBondContact CZ-CD2 3.17Å; F180-H223 AromaticContact CZ-NE2 3.44Å; F180-H223 WeakPolarHBondContact CZ-NE2 3.47Å; L221-H223 CarbonylContact O-C 3.54Å; L221-H223 PolarHBondContact O-N 3.31Å; H223-F225 VanDerWaalsContact C-N 3.35Å; H223-F225 PolarHBondContact O-N 2.8Å; H223-R226 PolarHBondContact CE1-NH2 2.94Å; H223-R226 VanDerWaalsContact CE1-NH2 3.28Å; H223-R226 PolarHBondContact ND1-NH2 3.23Å; H223-R226 WeakPolarHBondContact O-CB 3.26Å; H223-R226 PolarHBondContact O-N 3.39Å; H223-V227 WeakPolarHBondContact O-CG2 3.45Å; H223-V227 PolarHBondContact O-N 3.34Å
224G96.4Very high96.1Very high1 Ų140.1 Ų40.11%0.0119%0.19CC..Hα-helixtrans-57.5-42.4178.900000113.5A178 A219 L221 V227 L228A178-G224 WeakPolarHBondContact O-CA 3.39Å; A219-G224 VanDerWaalsContact O-CA 3.3Å; A219-G224 WeakPolarHBondContact O-CA 3.2Å; A219-G224 PolarHBondContact O-N 3.45Å; L221-G224 CarbonylContact O-C 3.54Å; L221-G224 WeakPolarHBondContact O-CA 3.46Å; L221-G224 PolarHBondContact O-N 2.81Å; G224-V227 CarbonylContact O-C 3.59Å; G224-V227 PolarHBondContact O-N 3.44Å; G224-L228 WeakPolarHBondContact O-CA 3.31Å; G224-L228 PolarHBondContact O-N 2.92Å
225F97.6Very high96.1Very high14 Ų1440.2 Ų40.26%0.06119%0.191CC..Hα-helixtrans-66.2-37.5177.9-66.7-12.6000112.3A178 L221 H223 V227 L228 H287 V290 L291A178-F225 HydrophobicContact CB-CD1 3.71Å; A178-F225 HydrophobicContact CB-CE1 3.88Å; L221-F225 HydrophobicContact CD2-CE1 4.37Å; L221-F225 HydrophobicContact CD2-CE2 3.76Å; L221-F225 HydrophobicContact CD2-CZ 3.54Å; L221-F225 WeakPolarHBondContact O-CB 3.39Å; L221-F225 WeakPolarHBondContact O-CG 3.34Å; L221-F225 PolarHBondContact O-N 3.21Å; H223-F225 VanDerWaalsContact C-N 3.35Å; H223-F225 PolarHBondContact O-N 2.8Å; F225-V227 VanDerWaalsContact C-N 3.26Å; F225-V227 PolarHBondContact O-N 3.25Å; F225-L228 VanDerWaalsContact O-CB 3.23Å; F225-L228 WeakPolarHBondContact O-CB 2.98Å; F225-L228 PolarHBondContact O-N 2.98Å; F225-H287 HydrophobicContact CD2-CB 3.83Å; F225-H287 AromaticContact CD2-CG 3.96Å; F225-H287 HydrophobicContact CE2-CB 4.45Å; F225-H287 VanDerWaalsContact CE2-O 3.27Å; F225-H287 WeakPolarHBondContact CE2-O 3.28Å; F225-V290 HydrophobicContact CD1-CG1 3.67Å; F225-V290 HydrophobicContact CD2-CB 4.26Å; F225-V290 HydrophobicContact CD2-CG1 4.07Å; F225-V290 HydrophobicContact CE1-CG1 3.77Å; F225-V290 HydrophobicContact CE2-CB 4.36Å; F225-V290 HydrophobicContact CE2-CG1 4.14Å; F225-V290 HydrophobicContact CG-CB 4.43Å; F225-V290 HydrophobicContact CG-CG1 3.84Å; F225-V290 HydrophobicContact CZ-CG1 3.99Å; F225-L291 HydrophobicContact CE2-CB 4.04Å; F225-L291 HydrophobicContact CZ-CB 4.01Å; F225-L291 HydrophobicContact CZ-CD1 4.39Å
226R95.6Very high96.2Very high131 Ų13142 Ų4249%0.49420%0.198SC..Hα-helixtrans-62.2-34.6175.7-173.717667.4-168.21.7112.8D68 V222 H223D68-R226 IonicContact OD2-NH1 3.08Å; D68-R226 PolarHBondContact OD2-NH1 2.98Å; D68-R226 VanDerWaalsContact OD2-NH1 3.08Å; V222-R226 PolarHBondContact O-N 3.01Å; H223-R226 PolarHBondContact CE1-NH2 2.94Å; H223-R226 VanDerWaalsContact CE1-NH2 3.28Å; H223-R226 PolarHBondContact ND1-NH2 3.23Å; H223-R226 WeakPolarHBondContact O-CB 3.26Å; H223-R226 PolarHBondContact O-N 3.39Å
227V95.7Very high96.3Very high38 Ų3844 Ų4423%0.2321%0.213CC..THydrogen-bonded Turntrans-103.211.8179.9-61.60000112.9F180 H223 G224 F225 N229 M230F180-V227 HydrophobicContact CD1-CG2 3.81Å; F180-V227 HydrophobicContact CE1-CG2 3.43Å; F180-V227 VanDerWaalsContact CE1-CG2 3.43Å; F180-V227 HydrophobicContact CZ-CG2 4.17Å; H223-V227 WeakPolarHBondContact O-CG2 3.45Å; H223-V227 PolarHBondContact O-N 3.34Å; G224-V227 CarbonylContact O-C 3.59Å; G224-V227 PolarHBondContact O-N 3.44Å; F225-V227 VanDerWaalsContact C-N 3.26Å; F225-V227 PolarHBondContact O-N 3.25Å; V227-N229 VanDerWaalsContact C-N 3.31Å; V227-N229 PolarHBondContact O-N 2.91Å; V227-N229 VanDerWaalsContact O-N 3.17Å; V227-M230 WeakPolarHBondContact O-CB 3.41Å; V227-M230 PolarHBondContact O-N 3.47Å
228L96.7Very high96.3Very high22 Ų2244.2 Ų44.212%0.11522%0.215CC..Hα-helixtrans-52.8-46.2-168.5-175.558.2000113.1A178 G224 F225 M230 W231 E232 V290A178-L228 HydrophobicContact CB-CD1 3.61Å; G224-L228 WeakPolarHBondContact O-CA 3.31Å; G224-L228 PolarHBondContact O-N 2.92Å; F225-L228 VanDerWaalsContact O-CB 3.23Å; F225-L228 WeakPolarHBondContact O-CB 2.98Å; F225-L228 PolarHBondContact O-N 2.98Å; L228-M230 PolarHBondContact O-N 3.32Å; L228-W231 PolarHBondContact O-N 3.05Å; L228-E232 HydrophobicContact CD1-CB 4.24Å; L228-E232 WeakPolarHBondContact CD1-OE2 3.47Å; L228-E232 HydrophobicContact CG-CB 4.29Å; L228-E232 WeakPolarHBondContact O-CB 3.5Å; L228-E232 PolarHBondContact O-N 3.37Å; L228-V290 HydrophobicContact CD2-CG1 3.87Å
229N96.6Very high96.5Very high164 Ų16444.5 Ų44.588%0.87722%0.216SC*.Hα-helixtrans-55.1-30.6-177.8-68.8-21.1000113.4V227V227-N229 VanDerWaalsContact C-N 3.31Å; V227-N229 PolarHBondContact O-N 2.91Å; V227-N229 VanDerWaalsContact O-N 3.17Å
230M95.8Very high96.5Very high122 Ų12247.4 Ų47.460%0.60124%0.236SC*.Hα-helixtrans-73-34178.1-174.2178.3-66.200112.3V227 L228V227-M230 WeakPolarHBondContact O-CB 3.41Å; V227-M230 PolarHBondContact O-N 3.47Å; L228-M230 PolarHBondContact O-N 3.32Å
231W97.4Very high96.5Very high30 Ų3048.5 Ų48.511%0.11424%0.244CC..Hα-helixtrans-107.2-16-168-61.3105.4000114F180 V184 F188 L228 K233 Y234 H235F180-W231 HydrophobicContact CB-CB 4.15Å; F180-W231 HydrophobicContact CB-CD2 3.6Å; F180-W231 HydrophobicContact CB-CE3 3.99Å; F180-W231 HydrophobicContact CB-CG 3.66Å; F180-W231 AromaticContact CD1-CD1 3.96Å; F180-W231 HydrophobicContact CD1-CG 4.46Å; F180-W231 AromaticContact CD1-NE1 3.98Å; F180-W231 HydrophobicContact CD2-CD2 4.3Å; F180-W231 AromaticContact CD2-CE2 3.74Å; F180-W231 HydrophobicContact CD2-CH2 4.37Å; F180-W231 AromaticContact CD2-CZ2 3.79Å; F180-W231 HydrophobicContact CD2-CZ2 3.79Å; F180-W231 AromaticContact CD2-NE1 3.92Å; F180-W231 HydrophobicContact CE2-CZ2 4.32Å; F180-W231 AromaticContact CG-CD1 3.9Å; F180-W231 HydrophobicContact CG-CD2 4Å; F180-W231 AromaticContact CG-CE2 3.79Å; F180-W231 HydrophobicContact CG-CG 4.07Å; F180-W231 HydrophobicContact CG-CZ2 4.32Å; F180-W231 AromaticContact CG-NE1 3.72Å; V184-W231 HydrophobicContact CG1-CB 4.24Å; V184-W231 HydrophobicContact CG1-CD2 4.22Å; V184-W231 HydrophobicContact CG1-CE3 3.47Å; V184-W231 VanDerWaalsContact CG1-CE3 3.47Å; V184-W231 HydrophobicContact CG1-CZ3 4.15Å; F188-W231 HydrophobicContact CB-CE3 4.49Å; F188-W231 HydrophobicContact CB-CH2 4.47Å; F188-W231 HydrophobicContact CB-CZ3 3.66Å; F188-W231 HydrophobicContact CD1-CH2 4.07Å; F188-W231 HydrophobicContact CD1-CZ3 4.08Å; F188-W231 HydrophobicContact CD2-CZ3 4.22Å; F188-W231 HydrophobicContact CE1-CH2 4.45Å; F188-W231 HydrophobicContact CG-CH2 4.19Å; F188-W231 AromaticContact CG-CZ3 3.75Å; F188-W231 HydrophobicContact CG-CZ3 3.75Å; L228-W231 PolarHBondContact O-N 3.05Å; W231-K233 VanDerWaalsContact C-N 3.3Å; W231-K233 PolarHBondContact O-N 2.96Å; W231-Y234 HydrophobicContact CE3-CD2 4.17Å; W231-Y234 WeakPolarHBondContact O-CA 3.46Å; W231-Y234 WeakPolarHBondContact O-CB 3.4Å; W231-Y234 PolarHBondContact O-N 2.9Å; W231-H235 PolarHBondContact O-N 3.48Å; W231-H235 VanDerWaalsContact O-N 3.13Å
232E97.2Very high96.4Very high35 Ų3548.5 Ų48.516%0.16424%0.244CC..Hα-helixtrans-61.7-35.5-165.8-17759.717500113.8Y175 L228 Y234 H235 H236 R294Y175-E232 PolarHBondContact OH-OE1 2.89Å; L228-E232 HydrophobicContact CD1-CB 4.24Å; L228-E232 WeakPolarHBondContact CD1-OE2 3.47Å; L228-E232 HydrophobicContact CG-CB 4.29Å; L228-E232 WeakPolarHBondContact O-CB 3.5Å; L228-E232 PolarHBondContact O-N 3.37Å; E232-Y234 PolarHBondContact O-N 2.82Å; E232-H235 PolarHBondContact O-N 2.64Å; E232-H236 PolarHBondContact O-CD2 3.3Å; E232-H236 PolarHBondContact O-N 3.12Å; E232-H236 IonicContact OE1-CD2 2.68Å; E232-H236 IonicContact OE1-CE1 3.2Å; E232-H236 IonicContact OE1-NE2 2.66Å; E232-H236 PolarHBondContact OE1-NE2 3.26Å; E232-H236 VanDerWaalsContact OE1-NE2 3.15Å; E232-R294 IonicContact OE1-CZ 3.82Å; E232-R294 IonicContact OE1-NH1 3.6Å; E232-R294 PolarHBondContact OE1-NH1 2.88Å; E232-R294 IonicContact OE1-NH2 2.95Å; E232-R294 IonicContact OE2-CZ 2.77Å; E232-R294 IonicContact OE2-NH1 2.69Å; E232-R294 PolarHBondContact OE2-NH1 2.85Å; E232-R294 IonicContact OE2-NH2 3.6Å; E232-R294 PolarHBondContact OE2-NH2 2.82Å
233K97Very high96.4Very high138 Ų13848.5 Ų48.560%0.624%0.244SC*.Hα-helixtrans-59.2-34.9174.969.9-179.4-172.6173.60112.5W231 S237W231-K233 VanDerWaalsContact C-N 3.3Å; W231-K233 PolarHBondContact O-N 2.96Å; K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 2.96Å; K233-S237 VanDerWaalsContact O-N 3.08Å
234Y96.8Very high96.5Very high36 Ų3647.1 Ų47.114%0.14124%0.238CC..Hα-helixtrans-76.8-41.4177.6-58.5-72.4000110.7V184 L187 F188 W231 E232 H236 S237 V238V184-Y234 HydrophobicContact CG1-CG 4.49Å; L187-Y234 HydrophobicContact CB-CD1 4.04Å; F188-Y234 HydrophobicContact CB-CE1 4.38Å; F188-Y234 HydrophobicContact CB-CE2 4.18Å; F188-Y234 AromaticContact CD2-CE2 3.57Å; F188-Y234 HydrophobicContact CD2-CE2 3.57Å; F188-Y234 AromaticContact CD2-CZ 3.57Å; F188-Y234 VanDerWaalsContact CD2-OH 3.32Å; F188-Y234 WeakPolarHBondContact CD2-OH 3.46Å; F188-Y234 HydrophobicContact CE2-CE2 4.46Å; F188-Y234 HydrophobicContact CG-CE2 4.35Å; W231-Y234 HydrophobicContact CE3-CD2 4.17Å; W231-Y234 WeakPolarHBondContact O-CA 3.46Å; W231-Y234 WeakPolarHBondContact O-CB 3.4Å; W231-Y234 PolarHBondContact O-N 2.9Å; E232-Y234 PolarHBondContact O-N 2.82Å; Y234-H236 VanDerWaalsContact C-N 3.31Å; Y234-H236 PolarHBondContact O-N 2.58Å; Y234-S237 WeakPolarHBondContact O-CB 3.33Å; Y234-S237 PolarHBondContact O-N 3.33Å; Y234-S237 VanDerWaalsContact O-N 3.11Å; Y234-V238 WeakPolarHBondContact O-CG2 3.25Å; Y234-V238 PolarHBondContact O-N 2.98Å
235H98.1Very high96.6Very high3 Ų347.1 Ų47.11%0.01424%0.237CC..Hα-helixtrans-55.4-46172.3-80.8-66.2000112D174 Y175 A178 N179 W231 E232 V238 L239D174-H235 PolarHBondContact O-CE1 2.83Å; D174-H235 VanDerWaalsContact O-CE1 3.27Å; D174-H235 PolarHBondContact O-ND1 2.66Å; Y175-H235 HydrophobicContact CD2-CB 3.82Å; Y175-H235 HydrophobicContact CE2-CB 4.1Å; A178-H235 VanDerWaalsContact C-CE1 3.41Å; A178-H235 WeakPolarHBondContact CA-NE2 3.34Å; N179-H235 PolarHBondContact O-CE1 3.22Å; N179-H235 VanDerWaalsContact O-CE1 3.23Å; W231-H235 PolarHBondContact O-N 3.48Å; W231-H235 VanDerWaalsContact O-N 3.13Å; E232-H235 PolarHBondContact O-N 2.64Å; H235-V238 PolarHBondContact O-N 2.93Å; H235-L239 WeakPolarHBondContact O-CB 3.22Å; H235-L239 PolarHBondContact O-N 2.67Å
236H97.3Very high96.6Very high82 Ų8247.4 Ų47.438%0.3824%0.238SC..Hα-helixtrans-62.3-42.2174.4-81.1-56.5000112.9Y175 E232 Y234 V238 L239 S240Y175-H236 AromaticContact CE2-ND1 3.85Å; Y175-H236 PolarHBondContact OH-CE1 3.47Å; E232-H236 PolarHBondContact O-CD2 3.3Å; E232-H236 PolarHBondContact O-N 3.12Å; E232-H236 IonicContact OE1-CD2 2.68Å; E232-H236 IonicContact OE1-CE1 3.2Å; E232-H236 IonicContact OE1-NE2 2.66Å; E232-H236 PolarHBondContact OE1-NE2 3.26Å; E232-H236 VanDerWaalsContact OE1-NE2 3.15Å; Y234-H236 VanDerWaalsContact C-N 3.31Å; Y234-H236 PolarHBondContact O-N 2.58Å; H236-V238 VanDerWaalsContact C-N 3.31Å; H236-V238 PolarHBondContact O-N 2.69Å; H236-L239 PolarHBondContact O-N 3.27Å; H236-S240 VanDerWaalsContact O-CB 3.32Å; H236-S240 WeakPolarHBondContact O-CB 3.36Å; H236-S240 PolarHBondContact O-N 2.78Å; H236-S240 PolarHBondContact O-OG 2.79Å; H236-S240 VanDerWaalsContact O-OG 3.13Å
237S95.4Very high96.7Very high59 Ų5943.1 Ų43.141%0.41322%0.222SC..Hα-helixtrans-63-36.1176.8-172.40000112.8K233 Y234 S240K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 2.96Å; K233-S237 VanDerWaalsContact O-N 3.08Å; Y234-S237 WeakPolarHBondContact O-CB 3.33Å; Y234-S237 PolarHBondContact O-N 3.33Å; Y234-S237 VanDerWaalsContact O-N 3.11Å; S237-S240 PolarHBondContact O-OG 3.15Å; S237-S240 VanDerWaalsContact O-OG 3.07Å
238V95.8Very high96.7Very high10 Ų1047 Ų476%0.06123%0.232CC..Hα-helixtrans-72.8-47.6176.6178.10000110.1I171 L183 V184 L187 Y234 H235 H236 S240 S241I171-V238 HydrophobicContact CB-CG1 4.14Å; I171-V238 HydrophobicContact CD1-CG1 3.74Å; I171-V238 HydrophobicContact CG1-CG1 3.54Å; I171-V238 HydrophobicContact CG2-CG1 3.74Å; L183-V238 HydrophobicContact CD2-CG1 3.59Å; L183-V238 HydrophobicContact CD2-CG2 4.21Å; L183-V238 HydrophobicContact CG-CG1 4.36Å; L183-V238 HydrophobicContact CG-CG2 4.18Å; V184-V238 HydrophobicContact CG2-CG2 4.06Å; L187-V238 HydrophobicContact CD1-CG2 3.32Å; L187-V238 HydrophobicContact CG-CG2 4.29Å; Y234-V238 WeakPolarHBondContact O-CG2 3.25Å; Y234-V238 PolarHBondContact O-N 2.98Å; H235-V238 PolarHBondContact O-N 2.93Å; H236-V238 VanDerWaalsContact C-N 3.31Å; H236-V238 PolarHBondContact O-N 2.69Å; V238-S240 VanDerWaalsContact C-N 3.31Å; V238-S240 PolarHBondContact O-N 3.25Å; V238-S241 WeakPolarHBondContact O-CB 3.44Å; V238-S241 PolarHBondContact O-N 2.78Å; V238-S241 VanDerWaalsContact O-N 3.09Å; V238-S241 PolarHBondContact O-OG 3.2Å
239L97.8Very high96.8Very high7 Ų745.9 Ų45.94%0.03723%0.227CC..Hα-helixtrans-59.4-42.9179.5-179.364.8000111.6V172 Y175 H235 H236 S241 V242 V298 H301V172-L239 HydrophobicContact CG2-CD1 4.43Å; Y175-L239 HydrophobicContact CD1-CD2 3.98Å; Y175-L239 HydrophobicContact CD2-CB 3.84Å; Y175-L239 HydrophobicContact CD2-CD2 3.76Å; Y175-L239 HydrophobicContact CD2-CG 4.33Å; Y175-L239 HydrophobicContact CE1-CD2 3.96Å; Y175-L239 HydrophobicContact CE2-CB 4.37Å; Y175-L239 HydrophobicContact CE2-CD2 3.8Å; Y175-L239 HydrophobicContact CG-CB 4.31Å; Y175-L239 HydrophobicContact CG-CD2 3.89Å; Y175-L239 HydrophobicContact CG-CG 4.47Å; H235-L239 WeakPolarHBondContact O-CB 3.22Å; H235-L239 PolarHBondContact O-N 2.67Å; H236-L239 PolarHBondContact O-N 3.27Å; L239-S241 PolarHBondContact O-N 3.48Å; L239-V242 PolarHBondContact O-N 2.98Å; L239-V298 HydrophobicContact CD1-CG2 4.49Å; L239-V298 HydrophobicContact CD2-CG2 4.33Å; L239-H301 HydrophobicContact CD2-CB 4.24Å; L239-H301 PolarHBondContact O-NE2 3.28Å
240S95.7Very high96.9Very high67 Ų6738.6 Ų38.647%0.46919%0.187SC..THydrogen-bonded Turntrans-66.2-17.1179.668.80000113.8H236 S237 V238 V242H236-S240 VanDerWaalsContact O-CB 3.32Å; H236-S240 WeakPolarHBondContact O-CB 3.36Å; H236-S240 PolarHBondContact O-N 2.78Å; H236-S240 PolarHBondContact O-OG 2.79Å; H236-S240 VanDerWaalsContact O-OG 3.13Å; S237-S240 PolarHBondContact O-OG 3.15Å; S237-S240 VanDerWaalsContact O-OG 3.07Å; V238-S240 VanDerWaalsContact C-N 3.31Å; V238-S240 PolarHBondContact O-N 3.25Å; S240-V242 VanDerWaalsContact C-N 3.26Å; S240-V242 PolarHBondContact O-N 3.37Å
241S94.7Very high97Very high23 Ų2338.4 Ų38.416%0.16119%0.185CC..THydrogen-bonded Turntrans-78.4-5.1176.678.40000113.9G145 L146 V238 L239G145-S241 CarbonylContact C-O 3.55Å; G145-S241 WeakPolarHBondContact CA-O 3.49Å; L146-S241 PolarHBondContact N-O 3.42Å; V238-S241 WeakPolarHBondContact O-CB 3.44Å; V238-S241 PolarHBondContact O-N 2.78Å; V238-S241 VanDerWaalsContact O-N 3.09Å; V238-S241 PolarHBondContact O-OG 3.2Å; L239-S241 PolarHBondContact O-N 3.48Å
242V96.2Very high97.1Very high0 Ų042 Ų420%020%0.199CC..BIsolated β-bridgetrans-123.2126.8-177.5-178.70000111.1L139 L146 I171 L239 S240 V244 F245 H301L139-V242 HydrophobicContact CD2-CG2 3.76Å; L146-V242 HydrophobicContact CB-CG2 4.38Å; L146-V242 HydrophobicContact CD2-CG1 4.18Å; I171-V242 HydrophobicContact CB-CG2 4.28Å; I171-V242 HydrophobicContact CD1-CG2 3.44Å; I171-V242 VanDerWaalsContact CD1-CG2 3.44Å; I171-V242 HydrophobicContact CG1-CG2 4.43Å; I171-V242 HydrophobicContact CG2-CG2 3.94Å; L239-V242 PolarHBondContact O-N 2.98Å; S240-V242 VanDerWaalsContact C-N 3.26Å; S240-V242 PolarHBondContact O-N 3.37Å; V242-V244 WeakPolarHBondContact CG1-O 3.02Å; V242-F245 HydrophobicContact CB-CE1 4.38Å; V242-F245 HydrophobicContact CG1-CD1 4.09Å; V242-F245 HydrophobicContact CG1-CE1 3.79Å; V242-F245 HydrophobicContact CG1-CZ 4.39Å; V242-F245 VanDerWaalsContact O-CZ 3.26Å; V242-F245 WeakPolarHBondContact O-CZ 3.23Å; V242-H301 PolarHBondContact O-NE2 3.03Å
243C96.8Very high97.2Very high7 Ų740.5 Ų40.55%0.04719%0.191CC..  trans-132.121167.9-79.30000112.9I5 L146 C305 Y309I5-C243 WeakPolarHBondContact CB-O 3.35Å; L146-C243 PolarHBondContact O-N 2.92Å; C243-C305 WeakPolarHBondContact CA-SG 3.49Å; C243-C305 HydrophobicContact CB-CB 3.61Å; C243-C305 WeakPolarHBondContact CB-SG 3.36Å; C243-C305 WeakPolarHBondContact SG-CB 3.45Å; C243-C305 CovalentContact SG-SG 2.05Å; C243-C305 PolarHBondContact SG-SG 3.24Å; C243-Y309 HydrophobicContact CB-CD2 4.02Å; C243-Y309 HydrophobicContact CB-CE2 3.56Å
244V96.8Very high97.2Very high0 Ų035.4 Ų35.40%018%0.176CC..  trans-125120.5169.3-172.50000108.9V1 I5 W7 L146 P148 F153 S168 V242V1-V244 HydrophobicContact CG1-CG1 4.35Å; V1-V244 HydrophobicContact CG2-CG1 4.06Å; I5-V244 CarbonylContact O-C 3.58Å; I5-V244 VanDerWaalsContact O-CA 3.28Å; I5-V244 WeakPolarHBondContact O-CA 3.42Å; W7-V244 HydrophobicContact CD2-CG1 3.6Å; W7-V244 HydrophobicContact CE3-CG1 4Å; W7-V244 HydrophobicContact CG-CG1 4.03Å; W7-V244 HydrophobicContact CH2-CG1 4.31Å; W7-V244 HydrophobicContact CZ2-CB 4.36Å; W7-V244 HydrophobicContact CZ2-CG1 3.92Å; W7-V244 HydrophobicContact CZ3-CG1 4.33Å; L146-V244 HydrophobicContact CG-CB 4.36Å; P148-V244 HydrophobicContact CB-CG2 4.05Å; F153-V244 HydrophobicContact CE2-CG2 4.33Å; F153-V244 HydrophobicContact CZ-CB 4.47Å; F153-V244 HydrophobicContact CZ-CG1 4.49Å; F153-V244 HydrophobicContact CZ-CG2 3.86Å; S168-V244 WeakPolarHBondContact CB-O 3.49Å; V242-V244 WeakPolarHBondContact CG1-O 3.02Å
245F97.9Very high97.3Very high1 Ų136.8 Ų36.80%0.00418%0.183CC..BIsolated β-bridgetrans-127.9154.7-167.7-51-80.3000112.3I5 F6 W7 V172 V242 R247 M250 H301 V302 C305I5-F245 HydrophobicContact CD1-CD2 4.31Å; I5-F245 PolarHBondContact O-N 3.13Å; F6-F245 CarbonylContact C-O 3.35Å; F6-F245 VanDerWaalsContact CA-O 3.31Å; F6-F245 WeakPolarHBondContact CA-O 2.99Å; F6-F245 HydrophobicContact CD1-CB 4.4Å; W7-F245 VanDerWaalsContact CD1-O 3.31Å; W7-F245 PolarHBondContact N-O 3.03Å; V172-F245 HydrophobicContact CG2-CD1 4.12Å; V172-F245 HydrophobicContact CG2-CE1 4.22Å; V242-F245 HydrophobicContact CB-CE1 4.38Å; V242-F245 HydrophobicContact CG1-CD1 4.09Å; V242-F245 HydrophobicContact CG1-CE1 3.79Å; V242-F245 HydrophobicContact CG1-CZ 4.39Å; V242-F245 VanDerWaalsContact O-CZ 3.26Å; V242-F245 WeakPolarHBondContact O-CZ 3.23Å; F245-R247 PolarHBondContact O-N 2.78Å; F245-M250 HydrophobicContact CB-CG 3.44Å; F245-M250 VanDerWaalsContact CB-CG 3.44Å; F245-M250 HydrophobicContact CB-SD 4.04Å; F245-M250 HydrophobicContact CD1-SD 4.09Å; F245-M250 HydrophobicContact CG-CG 4.02Å; F245-M250 HydrophobicContact CG-SD 4.08Å; F245-H301 AromaticContact CZ-CD2 3.75Å; F245-H301 AromaticContact CZ-NE2 3.86Å; F245-V302 HydrophobicContact CD2-CG2 4.22Å; F245-V302 HydrophobicContact CE1-CG2 4.33Å; F245-V302 HydrophobicContact CE2-CB 4.47Å; F245-V302 HydrophobicContact CE2-CG2 3.98Å; F245-V302 HydrophobicContact CG-CG2 4.48Å; F245-V302 HydrophobicContact CZ-CG2 4.04Å; F245-C305 HydrophobicContact CE2-CB 4.12Å
246R97.5Very high97.3Very high21 Ų2137 Ų378%0.07918%0.184CC..  trans-74.4123.4168.7-168.7170.157.7102.2-7.4109.7E12 G84 M165 D169 R248 T249 M250E12-R246 HydrophobicContact CG-CG 3.89Å; E12-R246 WeakPolarHBondContact OE1-CG 3.44Å; E12-R246 VanDerWaalsContact OE2-CG 3.3Å; E12-R246 WeakPolarHBondContact OE2-CG 3.4Å; G84-R246 PolarHBondContact O-NH1 2.75Å; G84-R246 PolarHBondContact O-NH2 3.37Å; M165-R246 HydrophobicContact CG-CB 4.26Å; M165-R246 HydrophobicContact CG-CG 4.45Å; M165-R246 HydrophobicContact SD-CG 4.11Å; D169-R246 WeakPolarHBondContact OD1-CB 3.48Å; D169-R246 IonicContact OD1-NE 3.97Å; D169-R246 IonicContact OD1-NH2 3.16Å; D169-R246 IonicContact OD2-CZ 3.04Å; D169-R246 IonicContact OD2-NE 2.79Å; D169-R246 PolarHBondContact OD2-NE 3.48Å; D169-R246 IonicContact OD2-NH2 2.74Å; D169-R246 PolarHBondContact OD2-NH2 2.04Å; R246-R248 PolarHBondContact O-N 3.21Å; R246-T249 PolarHBondContact NE-OG1 2.72Å; R246-T249 PolarHBondContact NH2-OG1 3.1Å; R246-T249 PolarHBondContact O-N 2.9Å; R246-M250 WeakPolarHBondContact O-CG 3.29Å; R246-M250 PolarHBondContact O-N 2.9Å
247R97.5Very high97.4Very high41 Ų4135.5 Ų35.516%0.15518%0.177CC..Hα-helixtrans-57.7-47.2-176.8-173.5-177.9-63.8-82.34.7111.5D3 F6 E12 F245 T249 M250 Q251D3-R247 IonicContact OD2-CZ 3.79Å; D3-R247 VanDerWaalsContact OD2-CZ 3.22Å; D3-R247 IonicContact OD2-NH1 3.22Å; D3-R247 PolarHBondContact OD2-NH1 3.2Å; D3-R247 IonicContact OD2-NH2 2.76Å; D3-R247 PolarHBondContact OD2-NH2 3.13Å; F6-R247 HydrophobicContact CB-CB 4.3Å; F6-R247 HydrophobicContact CD1-CB 4.15Å; F6-R247 VanDerWaalsContact CD2-NH1 3.32Å; F6-R247 HydrophobicContact CG-CB 4.25Å; F6-R247 HydrophobicContact CG-CG 4.45Å; E12-R247 WeakPolarHBondContact OE1-CA 3.15Å; E12-R247 WeakPolarHBondContact OE1-CB 3.38Å; E12-R247 PolarHBondContact OE1-N 2.91Å; F245-R247 PolarHBondContact O-N 2.78Å; R247-T249 VanDerWaalsContact C-N 3.32Å; R247-T249 PolarHBondContact O-N 3.18Å; R247-M250 PolarHBondContact O-N 3.26Å; R247-Q251 HydrophobicContact CG-CG 4.47Å; R247-Q251 VanDerWaalsContact O-CG 3.32Å; R247-Q251 WeakPolarHBondContact O-CG 3.19Å; R247-Q251 PolarHBondContact O-N 3.23Å
248R96.6Very high97.6Very high118 Ų11841 Ų4145%0.44519%0.189SC..Hα-helixtrans-59.2-40.2179.8-72.2178.7-175166.110.5112.5E12 D13 R246 R252E12-R248 WeakPolarHBondContact OE2-CG 3.48Å; E12-R248 PolarHBondContact OE2-N 3.14Å; D13-R248 IonicContact OD1-CZ 3.91Å; D13-R248 IonicContact OD1-NH2 3.33Å; D13-R248 PolarHBondContact OD1-NH2 3.49Å; R246-R248 PolarHBondContact O-N 3.21Å; R248-R252 PolarHBondContact O-N 2.88Å
249T98.3Very high97.7Very high0 Ų046 Ų460%021%0.207CC..Hα-helixtrans-65.3-48.2175-44.70000110.7L83 I85 D169 R246 R247 Q251 R252 V253L83-T249 HydrophobicContact CB-CG2 4.47Å; I85-T249 HydrophobicContact CD1-CG2 4.19Å; I85-T249 HydrophobicContact CG1-CG2 4.26Å; D169-T249 WeakPolarHBondContact OD1-CB 3.37Å; D169-T249 PolarHBondContact OD1-OG1 3.42Å; D169-T249 PolarHBondContact OD2-OG1 3.45Å; R246-T249 PolarHBondContact NE-OG1 2.72Å; R246-T249 PolarHBondContact NH2-OG1 3.1Å; R246-T249 PolarHBondContact O-N 2.9Å; R247-T249 VanDerWaalsContact C-N 3.32Å; R247-T249 PolarHBondContact O-N 3.18Å; T249-Q251 VanDerWaalsContact C-N 3.3Å; T249-Q251 PolarHBondContact O-N 2.68Å; T249-R252 WeakPolarHBondContact O-CB 3.35Å; T249-R252 PolarHBondContact O-N 2.9Å; T249-R252 VanDerWaalsContact O-N 3.09Å; T249-V253 PolarHBondContact O-N 3.28Å
250M98.5Very high97.7Very high10 Ų1052.2 Ų52.25%0.04923%0.23CC..Hα-helixtrans-68.2-29.4-175.8-65.5-53.495.600113F6 V172 F245 R246 R247 R252 V253 A254 V302F6-M250 HydrophobicContact CE1-CB 3.87Å; F6-M250 HydrophobicContact CE1-CG 4Å; V172-M250 HydrophobicContact CB-CE 4.41Å; V172-M250 HydrophobicContact CG1-CE 4.04Å; V172-M250 HydrophobicContact CG2-CE 4.09Å; F245-M250 HydrophobicContact CB-CG 3.44Å; F245-M250 VanDerWaalsContact CB-CG 3.44Å; F245-M250 HydrophobicContact CB-SD 4.04Å; F245-M250 HydrophobicContact CD1-SD 4.09Å; F245-M250 HydrophobicContact CG-CG 4.02Å; F245-M250 HydrophobicContact CG-SD 4.08Å; R246-M250 WeakPolarHBondContact O-CG 3.29Å; R246-M250 PolarHBondContact O-N 2.9Å; R247-M250 PolarHBondContact O-N 3.26Å; M250-R252 VanDerWaalsContact C-N 3.32Å; M250-V253 HydrophobicContact CE-CG2 3.98Å; M250-V253 PolarHBondContact O-N 3.44Å; M250-A254 VanDerWaalsContact O-CB 3.28Å; M250-A254 WeakPolarHBondContact O-CB 3.15Å; M250-A254 PolarHBondContact O-N 2.94Å; M250-V302 HydrophobicContact CG-CG2 4.34Å; M250-V302 HydrophobicContact SD-CG2 3.47Å; M250-V302 WeakPolarHBondContact SD-CG2 3.48Å
251Q98.4Very high97.8Very high118 Ų11850.4 Ų50.455%0.55122%0.215SC*.Hα-helixtrans-61.1-41.6170.7-75.9171.5-1800111.9R247 T249 A254 E255R247-Q251 HydrophobicContact CG-CG 4.47Å; R247-Q251 VanDerWaalsContact O-CG 3.32Å; R247-Q251 WeakPolarHBondContact O-CG 3.19Å; R247-Q251 PolarHBondContact O-N 3.23Å; T249-Q251 VanDerWaalsContact C-N 3.3Å; T249-Q251 PolarHBondContact O-N 2.68Å; Q251-A254 PolarHBondContact O-N 2.83Å; Q251-E255 PolarHBondContact O-N 3.47Å
252R98.6Very high97.9Very high107 Ų10749.5 Ų49.540%0.40421%0.208SC..Hα-helixtrans-70.2-40.3177.4-69.5167.7170.6-109.56.8111.8S81 L82 L83 R248 T249 M250 E255 L256S81-R252 PolarHBondContact O-NH1 3.17Å; L82-R252 VanDerWaalsContact O-CD 3.32Å; L82-R252 WeakPolarHBondContact O-CD 3.36Å; L82-R252 PolarHBondContact O-NH1 2.91Å; L83-R252 WeakPolarHBondContact O-CD 3.43Å; R248-R252 PolarHBondContact O-N 2.88Å; T249-R252 WeakPolarHBondContact O-CB 3.35Å; T249-R252 PolarHBondContact O-N 2.9Å; T249-R252 VanDerWaalsContact O-N 3.09Å; M250-R252 VanDerWaalsContact C-N 3.32Å; R252-E255 PolarHBondContact O-N 3.25Å; R252-L256 WeakPolarHBondContact O-CG 3.32Å; R252-L256 PolarHBondContact O-N 3.25Å
253V98.8Very high98Very high2 Ų253.8 Ų53.81%0.01223%0.225CC..Hα-helixtrans-59.3-47.5171.7174.20000111L83 T249 M250 E255 L256 H257 I295 V298L83-V253 HydrophobicContact CD2-CG2 3.73Å; T249-V253 PolarHBondContact O-N 3.28Å; M250-V253 HydrophobicContact CE-CG2 3.98Å; M250-V253 PolarHBondContact O-N 3.44Å; V253-E255 VanDerWaalsContact C-N 3.3Å; V253-E255 PolarHBondContact O-N 2.95Å; V253-L256 PolarHBondContact O-N 3.39Å; V253-H257 WeakPolarHBondContact O-CB 3.43Å; V253-H257 PolarHBondContact O-N 2.94Å; V253-I295 HydrophobicContact CG1-CG2 4.38Å; V253-V298 HydrophobicContact CG1-CB 4.25Å; V253-V298 HydrophobicContact CG1-CG1 3.89Å
254A98.7Very high98.1Very high32 Ų3258.9 Ų58.926%0.26425%0.248SC..Hα-helixtrans-62.2-36.6177.800000112.4M250 Q251 R258 Y299M250-A254 VanDerWaalsContact O-CB 3.28Å; M250-A254 WeakPolarHBondContact O-CB 3.15Å; M250-A254 PolarHBondContact O-N 2.94Å; Q251-A254 PolarHBondContact O-N 2.83Å; A254-R258 VanDerWaalsContact O-CB 3.32Å; A254-R258 WeakPolarHBondContact O-CB 3.28Å; A254-R258 PolarHBondContact O-N 2.75Å; A254-Y299 HydrophobicContact CB-CD2 3.86Å; A254-Y299 HydrophobicContact CB-CE2 3.68Å
255E98.6Very high98.1Very high64 Ų6461.7 Ų61.730%0.29926%0.258SS..Hα-helixtrans-63.7-48.7174.1-175.9175.2-170.700111.8Q251 R252 V253 H257 R258 R259 R265Q251-E255 PolarHBondContact O-N 3.47Å; R252-E255 PolarHBondContact O-N 3.25Å; V253-E255 VanDerWaalsContact C-N 3.3Å; V253-E255 PolarHBondContact O-N 2.95Å; E255-H257 VanDerWaalsContact C-N 3.34Å; E255-H257 PolarHBondContact O-N 2.95Å; E255-R258 PolarHBondContact O-N 3.09Å; E255-R259 HydrophobicContact CG-CG 4.39Å; E255-R259 WeakPolarHBondContact O-CB 3.36Å; E255-R259 WeakPolarHBondContact O-CG 3.41Å; E255-R259 PolarHBondContact O-N 3.23Å; E255-R259 IonicContact OE1-CZ 3.6Å; E255-R259 IonicContact OE1-NE 3.75Å; E255-R259 PolarHBondContact OE1-NE 3.42Å; E255-R259 IonicContact OE1-NH2 3.33Å; E255-R259 PolarHBondContact OE1-NH2 3.43Å; E255-R265 IonicContact OE1-CZ 3.48Å; E255-R265 IonicContact OE1-NH2 2.64Å; E255-R265 PolarHBondContact OE1-NH2 2.82Å
256L98.5Very high98.2Very high8 Ų861.7 Ų61.74%0.04226%0.258CS..Hα-helixtrans-62.8-39.8178.2-68.3170.2000111.9L83 R252 V253 R260 I295L83-L256 HydrophobicContact CD2-CD1 4.08Å; R252-L256 WeakPolarHBondContact O-CG 3.32Å; R252-L256 PolarHBondContact O-N 3.25Å; V253-L256 PolarHBondContact O-N 3.39Å; L256-R260 WeakPolarHBondContact O-CA 3.35Å; L256-R260 PolarHBondContact O-N 3.38Å; L256-I295 HydrophobicContact CB-CD1 4.18Å; L256-I295 HydrophobicContact CB-CG2 3.91Å; L256-I295 HydrophobicContact CD1-CD1 4.16Å
257H98.6Very high98.2Very high50 Ų5062.1 Ų62.123%0.23126%0.262CS..Hα-helixtrans-60-52.2173.4171.362.4000111.4V253 E255 R259 R260 I295 D296 Y299V253-H257 WeakPolarHBondContact O-CB 3.43Å; V253-H257 PolarHBondContact O-N 2.94Å; E255-H257 VanDerWaalsContact C-N 3.34Å; E255-H257 PolarHBondContact O-N 2.95Å; H257-R259 VanDerWaalsContact C-N 3.33Å; H257-R259 PolarHBondContact O-N 2.91Å; H257-R260 WeakPolarHBondContact O-CG 3.35Å; H257-R260 PolarHBondContact O-N 3.08Å; H257-I295 HydrophobicContact CB-CG2 4.06Å; H257-D296 IonicContact CE1-OD1 3.95Å; H257-D296 IonicContact CG-OD1 3.9Å; H257-D296 IonicContact ND1-OD1 3.55Å; H257-D296 PolarHBondContact ND1-OD1 2.79Å; H257-Y299 HydrophobicContact CB-CD2 4.28Å; H257-Y299 HydrophobicContact CB-CG 4.02Å; H257-Y299 AromaticContact CD2-CD1 3.18Å; H257-Y299 WeakPolarHBondContact CD2-CD1 3.23Å; H257-Y299 AromaticContact CD2-CD2 3.97Å; H257-Y299 AromaticContact CD2-CE1 3.39Å; H257-Y299 WeakPolarHBondContact CD2-CE1 3.32Å; H257-Y299 AromaticContact CD2-CG 3.49Å; H257-Y299 VanDerWaalsContact CD2-CG 3.49Å; H257-Y299 AromaticContact CD2-CZ 3.87Å; H257-Y299 AromaticContact CE1-CD1 3.93Å; H257-Y299 AromaticContact CG-CD1 3.73Å; H257-Y299 AromaticContact CG-CG 3.66Å; H257-Y299 AromaticContact NE2-CD1 3.34Å; H257-Y299 VanDerWaalsContact NE2-CD1 3.34Å; H257-Y299 WeakPolarHBondContact NE2-CD1 3.23Å; H257-Y299 AromaticContact NE2-CE1 3.5Å
258R98.6Very high98.2Very high174 Ų17464.3 Ų64.366%0.65727%0.274SS*.Hα-helixtrans-62.2-40.2-177.1-176-174.364.681.10.1112.3A254 E255A254-R258 VanDerWaalsContact O-CB 3.32Å; A254-R258 WeakPolarHBondContact O-CB 3.28Å; A254-R258 PolarHBondContact O-N 2.75Å; E255-R258 PolarHBondContact O-N 3.09Å
259R98.2Very high98.3Very high115 Ų11560.9 Ų60.943%0.43426%0.264SS..Hα-helixtrans-82.9-25.3-177-67.5-175.8-177.1-128.32113.2E255 H257 D261E255-R259 HydrophobicContact CG-CG 4.39Å; E255-R259 WeakPolarHBondContact O-CB 3.36Å; E255-R259 WeakPolarHBondContact O-CG 3.41Å; E255-R259 PolarHBondContact O-N 3.23Å; E255-R259 IonicContact OE1-CZ 3.6Å; E255-R259 IonicContact OE1-NE 3.75Å; E255-R259 PolarHBondContact OE1-NE 3.42Å; E255-R259 IonicContact OE1-NH2 3.33Å; E255-R259 PolarHBondContact OE1-NH2 3.43Å; H257-R259 VanDerWaalsContact C-N 3.33Å; H257-R259 PolarHBondContact O-N 2.91Å; R259-D261 HydrophobicContact CB-CB 4.14Å; R259-D261 WeakPolarHBondContact CB-OD1 3.43Å; R259-D261 WeakPolarHBondContact CD-OD2 3.27Å; R259-D261 PolarHBondContact O-N 2.97Å
260R98.1Very high98.3Very high139 Ų13961 Ų6153%0.52527%0.265SS..THydrogen-bonded Turntrans52.134.9-172.4-56.1-170.573.387.46.8113.3L256 H257 D296L256-R260 WeakPolarHBondContact O-CA 3.35Å; L256-R260 PolarHBondContact O-N 3.38Å; H257-R260 WeakPolarHBondContact O-CG 3.35Å; H257-R260 PolarHBondContact O-N 3.08Å; R260-D296 IonicContact CZ-OD2 2.98Å; R260-D296 IonicContact NH1-OD1 3.61Å; R260-D296 IonicContact NH1-OD2 3.6Å; R260-D296 PolarHBondContact NH1-OD2 2.97Å; R260-D296 IonicContact NH2-OD2 2.91Å; R260-D296 PolarHBondContact NH2-OD2 3.03Å
261D97.1Very high98.2Very high28 Ų2867.2 Ų67.215%0.1529%0.288CS..  trans-11419.8-173.266.8-10.6000112.8R259 R263 Q264 R265R259-D261 HydrophobicContact CB-CB 4.14Å; R259-D261 WeakPolarHBondContact CB-OD1 3.43Å; R259-D261 WeakPolarHBondContact CD-OD2 3.27Å; R259-D261 PolarHBondContact O-N 2.97Å; D261-R263 VanDerWaalsContact C-N 3.28Å; D261-R263 PolarHBondContact O-N 3.43Å; D261-Q264 PolarHBondContact O-N 3.1Å; D261-R265 PolarHBondContact O-N 3.02Å; D261-R265 WeakPolarHBondContact OD1-CD 3.49Å; D261-R265 IonicContact OD1-NE 3.53Å; D261-R265 WeakPolarHBondContact OD2-CD 3.29Å; D261-R265 IonicContact OD2-NE 2.69Å; D261-R265 PolarHBondContact OD2-NE 3.11Å
262S97.6Very high98.1Very high4 Ų467.9 Ų67.93%0.02830%0.295CS..Hα-helixtrans-54.4-42-175.459.20000113.2L266 Q292S262-L266 VanDerWaalsContact O-CB 3.25Å; S262-L266 WeakPolarHBondContact O-CB 3.35Å; S262-L266 PolarHBondContact O-N 2.82Å; S262-Q292 VanDerWaalsContact CB-OE1 3.29Å; S262-Q292 PolarHBondContact OG-OE1 3.02Å
263R98.1Very high98Very high91 Ų9164.9 Ų64.934%0.34329%0.287SS..Hα-helixtrans-56.6-53.8173.9-175.3-170.1171105.2-15.7112D261 L267 F282 S284 D285 A288D261-R263 VanDerWaalsContact C-N 3.28Å; D261-R263 PolarHBondContact O-N 3.43Å; R263-L267 VanDerWaalsContact O-CB 3.23Å; R263-L267 WeakPolarHBondContact O-CB 3.27Å; R263-L267 PolarHBondContact O-N 3.01Å; R263-F282 HydrophobicContact CG-CE1 3.92Å; R263-S284 PolarHBondContact NH1-O 3.13Å; R263-D285 IonicContact CZ-OD1 3.03Å; R263-D285 IonicContact NH1-OD1 2.73Å; R263-D285 PolarHBondContact NH1-OD1 2.91Å; R263-D285 IonicContact NH2-OD1 3.32Å; R263-D285 PolarHBondContact NH2-OD1 3.4Å; R263-A288 HydrophobicContact CB-CB 3.99Å; R263-A288 HydrophobicContact CG-CB 3.73Å
264Q98.4Very high97.9Very high113 Ų11364.8 Ų64.853%0.52829%0.286SS..Hα-helixtrans-63.5-50.1-174176.4177.5-3.300110.3D261 L266 L267 E268D261-Q264 PolarHBondContact O-N 3.1Å; Q264-L266 PolarHBondContact O-N 3.4Å; Q264-L267 PolarHBondContact O-N 3.17Å; Q264-E268 HydrophobicContact CG-CG 4.34Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.5Å; Q264-E268 PolarHBondContact NE2-OE1 2.82Å; Q264-E268 WeakPolarHBondContact O-CB 3.41Å; Q264-E268 WeakPolarHBondContact O-CG 3.33Å; Q264-E268 PolarHBondContact O-N 2.95Å
265R98.3Very high97.8Very high60 Ų6067.6 Ų67.623%0.22630%0.302CS..Hα-helixtrans-63-40.8-179.1-75-179.6161-104.413.4113.3L82 E255 D261 L269L82-R265 HydrophobicContact CD1-CB 4.25Å; L82-R265 HydrophobicContact CD2-CB 4.35Å; E255-R265 IonicContact OE1-CZ 3.48Å; E255-R265 IonicContact OE1-NH2 2.64Å; E255-R265 PolarHBondContact OE1-NH2 2.82Å; D261-R265 PolarHBondContact O-N 3.02Å; D261-R265 WeakPolarHBondContact OD1-CD 3.49Å; D261-R265 IonicContact OD1-NE 3.53Å; D261-R265 WeakPolarHBondContact OD2-CD 3.29Å; D261-R265 IonicContact OD2-NE 2.69Å; D261-R265 PolarHBondContact OD2-NE 3.11Å; R265-L269 WeakPolarHBondContact O-CB 3.31Å; R265-L269 PolarHBondContact O-N 2.88Å
266L98.6Very high97.6Very high0 Ų065.9 Ų65.90%030%0.295CS..Hα-helixtrans-67.3-40.6176.8-177.760.6000111L79 L82 S262 Q264 Y270 F282 L283 L291L79-L266 HydrophobicContact CB-CD1 4.21Å; L82-L266 HydrophobicContact CD1-CB 3.87Å; L82-L266 HydrophobicContact CD1-CD1 4.02Å; S262-L266 VanDerWaalsContact O-CB 3.25Å; S262-L266 WeakPolarHBondContact O-CB 3.35Å; S262-L266 PolarHBondContact O-N 2.82Å; Q264-L266 PolarHBondContact O-N 3.4Å; L266-Y270 WeakPolarHBondContact O-CB 3.4Å; L266-Y270 PolarHBondContact O-N 2.74Å; L266-F282 HydrophobicContact CB-CZ 4.28Å; L266-F282 HydrophobicContact CD2-CE2 4.32Å; L266-F282 HydrophobicContact CD2-CZ 4.33Å; L266-F282 HydrophobicContact CG-CE2 4.05Å; L266-F282 HydrophobicContact CG-CZ 4.22Å; L266-L283 HydrophobicContact CD2-CD1 4.2Å; L266-L291 HydrophobicContact CD2-CD2 3.93Å
267L98.5Very high97.5Very high30 Ų3066 Ų6616%0.15730%0.296CS..Hα-helixtrans-64.5-46177.6-178.759.7000112.4R263 Q264 Y270 R271 F282R263-L267 VanDerWaalsContact O-CB 3.23Å; R263-L267 WeakPolarHBondContact O-CB 3.27Å; R263-L267 PolarHBondContact O-N 3.01Å; Q264-L267 PolarHBondContact O-N 3.17Å; L267-Y270 PolarHBondContact O-N 2.64Å; L267-R271 HydrophobicContact CD1-CG 4.01Å; L267-R271 WeakPolarHBondContact O-CB 3.46Å; L267-R271 WeakPolarHBondContact O-CG 3.41Å; L267-R271 PolarHBondContact O-N 2.86Å; L267-F282 HydrophobicContact CB-CD1 4.47Å; L267-F282 HydrophobicContact CB-CE1 3.95Å; L267-F282 HydrophobicContact CB-CE2 4.02Å; L267-F282 HydrophobicContact CB-CZ 3.7Å; L267-F282 HydrophobicContact CD1-CB 4.07Å; L267-F282 HydrophobicContact CD1-CD1 3.84Å; L267-F282 HydrophobicContact CD1-CD2 3.67Å; L267-F282 HydrophobicContact CD1-CE1 4.16Å; L267-F282 HydrophobicContact CD1-CE2 4Å; L267-F282 HydrophobicContact CD1-CG 3.57Å; L267-F282 HydrophobicContact CD1-CZ 4.24Å; L267-F282 HydrophobicContact CG-CE1 4.47Å
268E98.3Very high97.3Very high88 Ų8871.3 Ų71.341%0.41132%0.321SS..Hα-helixtrans-58.9-55.2176.7-74.6169179.600109.9Q264 Y270 R271 D272Q264-E268 HydrophobicContact CG-CG 4.34Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.5Å; Q264-E268 PolarHBondContact NE2-OE1 2.82Å; Q264-E268 WeakPolarHBondContact O-CB 3.41Å; Q264-E268 WeakPolarHBondContact O-CG 3.33Å; Q264-E268 PolarHBondContact O-N 2.95Å; E268-Y270 VanDerWaalsContact C-N 3.3Å; E268-Y270 PolarHBondContact O-N 2.77Å; E268-R271 PolarHBondContact O-N 2.89Å; E268-D272 WeakPolarHBondContact O-CB 3.36Å; E268-D272 PolarHBondContact O-N 3Å
269L97.6Very high97.1Very high46 Ų4668 Ų6824%0.24131%0.313CS..Hα-helixtrans-58-43.3-179.9-175.767.3000112.4Y78 L82 R265 N273Y78-L269 HydrophobicContact CD1-CD2 3.96Å; Y78-L269 HydrophobicContact CD1-CG 3.81Å; Y78-L269 WeakPolarHBondContact O-CD2 3.35Å; L82-L269 HydrophobicContact CD2-CB 4.46Å; L82-L269 HydrophobicContact CD2-CD2 3.81Å; L82-L269 HydrophobicContact CG-CD2 3.72Å; R265-L269 WeakPolarHBondContact O-CB 3.31Å; R265-L269 PolarHBondContact O-N 2.88Å; L269-N273 WeakPolarHBondContact O-CB 3.3Å; L269-N273 PolarHBondContact O-N 3.44Å; L269-N273 PolarHBondContact O-ND2 2.9Å
270Y97.9Very high97Very high1 Ų163.2 Ų63.20%0.00430%0.296CS..Hα-helixtrans-63.8-46.1178.2169.1-130.3000112.3T74 L75 Y78 L93 L266 L267 E268 N273 E274 S277 G281 F282T74-Y270 HydrophobicContact CG2-CD2 4.11Å; T74-Y270 HydrophobicContact CG2-CE2 3.61Å; L75-Y270 HydrophobicContact CD2-CD1 3.68Å; L75-Y270 HydrophobicContact CD2-CD2 4.06Å; L75-Y270 HydrophobicContact CD2-CE1 3.95Å; L75-Y270 HydrophobicContact CD2-CE2 4.32Å; L75-Y270 HydrophobicContact CD2-CG 3.7Å; Y78-Y270 AromaticContact CD2-CD2 3.8Å; Y78-Y270 HydrophobicContact CD2-CD2 3.8Å; Y78-Y270 HydrophobicContact CD2-CG 4.48Å; Y78-Y270 AromaticContact CE2-CD2 3.89Å; Y78-Y270 HydrophobicContact CE2-CD2 3.89Å; L93-Y270 HydrophobicContact CD1-CE2 4.31Å; L266-Y270 WeakPolarHBondContact O-CB 3.4Å; L266-Y270 PolarHBondContact O-N 2.74Å; L267-Y270 PolarHBondContact O-N 2.64Å; E268-Y270 VanDerWaalsContact C-N 3.3Å; E268-Y270 PolarHBondContact O-N 2.77Å; Y270-N273 PolarHBondContact O-N 2.91Å; Y270-E274 HydrophobicContact CD2-CB 3.89Å; Y270-E274 HydrophobicContact CD2-CG 3.84Å; Y270-E274 HydrophobicContact CE2-CB 3.73Å; Y270-E274 HydrophobicContact CE2-CG 3.81Å; Y270-E274 WeakPolarHBondContact O-CB 3.36Å; Y270-E274 PolarHBondContact O-N 3.11Å; Y270-S277 VanDerWaalsContact CZ-CA 3.49Å; Y270-S277 WeakPolarHBondContact OH-CA 3.41Å; Y270-G281 VanDerWaalsContact CE1-O 3.23Å; Y270-G281 WeakPolarHBondContact CE1-O 3.5Å; Y270-G281 PolarHBondContact OH-O 3.37Å; Y270-F282 AromaticContact CD1-CD2 3.75Å; Y270-F282 HydrophobicContact CD1-CD2 3.75Å; Y270-F282 HydrophobicContact CD1-CE2 4.31Å; Y270-F282 HydrophobicContact CE1-CD2 4.12Å
271R97.4Very high96.9Very high142 Ų14257.8 Ų57.854%0.53628%0.284SS..Hα-helixtrans-70.2-38.3-179.2-77.2179.3170.1173.10.7112.8L267 E268 N273L267-R271 HydrophobicContact CD1-CG 4.01Å; L267-R271 WeakPolarHBondContact O-CB 3.46Å; L267-R271 WeakPolarHBondContact O-CG 3.41Å; L267-R271 PolarHBondContact O-N 2.86Å; E268-R271 PolarHBondContact O-N 2.89Å; R271-N273 PolarHBondContact O-N 3.29Å
272D96.4Very high96.9Very high132 Ų13258.1 Ų58.171%0.70628%0.284SS*.Hα-helixtrans-65.4-27.6178.9-69-11.6000111.4E268E268-D272 WeakPolarHBondContact O-CB 3.36Å; E268-D272 PolarHBondContact O-N 3Å
273N96.2Very high96.9Very high43 Ų4358.2 Ų58.223%0.2328%0.284CS..Hα-helixtrans-106.6-26.3-175.5-73-90.1000114.7R28 R32 Y78 L269 Y270 R271R28-N273 PolarHBondContact NH2-OD1 2.87Å; R32-N273 PolarHBondContact NH1-O 3.02Å; R32-N273 PolarHBondContact NH2-O 3.19Å; Y78-N273 HydrophobicContact CE1-CB 3.48Å; Y78-N273 VanDerWaalsContact CE1-CB 3.48Å; Y78-N273 VanDerWaalsContact OH-CB 3.27Å; Y78-N273 WeakPolarHBondContact OH-CB 3.41Å; L269-N273 WeakPolarHBondContact O-CB 3.3Å; L269-N273 PolarHBondContact O-N 3.44Å; L269-N273 PolarHBondContact O-ND2 2.9Å; Y270-N273 PolarHBondContact O-N 2.91Å; R271-N273 PolarHBondContact O-N 3.29Å
274E96.9Very high96.9Very high0 Ų056.4 Ų56.40%029%0.285CS..  trans-112.3109.4-179.5-67.6-56.7155.300113.5R32 T74 Y78 L93 Y270 L276 S277R32-E274 IonicContact CZ-OE2 3.84Å; R32-E274 VanDerWaalsContact NH2-CD 3.29Å; R32-E274 IonicContact NH2-OE1 2.79Å; R32-E274 PolarHBondContact NH2-OE1 2.87Å; R32-E274 IonicContact NH2-OE2 2.78Å; R32-E274 PolarHBondContact NH2-OE2 3.26Å; T74-E274 HydrophobicContact CG2-CG 4.17Å; Y78-E274 HydrophobicContact CE2-CG 3.4Å; Y78-E274 VanDerWaalsContact OH-CD 3.26Å; Y78-E274 VanDerWaalsContact OH-CG 3.31Å; Y78-E274 WeakPolarHBondContact OH-CG 3.23Å; Y78-E274 PolarHBondContact OH-OE1 3.26Å; L93-E274 HydrophobicContact CD1-CB 4.21Å; L93-E274 HydrophobicContact CD1-CG 4.32Å; L93-E274 HydrophobicContact CG-CG 4.35Å; L93-E274 PolarHBondContact N-OE2 3.01Å; L93-E274 VanDerWaalsContact N-OE2 3.1Å; Y270-E274 HydrophobicContact CD2-CB 3.89Å; Y270-E274 HydrophobicContact CD2-CG 3.84Å; Y270-E274 HydrophobicContact CE2-CB 3.73Å; Y270-E274 HydrophobicContact CE2-CG 3.81Å; Y270-E274 WeakPolarHBondContact O-CB 3.36Å; Y270-E274 PolarHBondContact O-N 3.11Å; E274-L276 PolarHBondContact O-N 3.26Å; E274-S277 WeakPolarHBondContact O-CB 3.38Å; E274-S277 PolarHBondContact O-N 2.91Å; E274-S277 VanDerWaalsContact O-N 3.09Å; E274-S277 PolarHBondContact O-OG 3.42Å
275P95.3Very high96.8Very high92 Ų9256.6 Ų56.660%0.59729%0.29SS*.THydrogen-bonded Turntrans-59.3-31.9176.3-26.235.2000114.1S277P275-S277 PolarHBondContact O-N 2.72Å
276L96Very high96.8Very high28 Ų2860.7 Ų60.715%0.14731%0.312CS..THydrogen-bonded Turntrans-89.416.5-179.6-64.7173.4000113.3L93 S94 Q95 V120 E274 Q278 E279 L280L93-L276 HydrophobicContact CB-CB 3.89Å; L93-L276 HydrophobicContact CB-CD1 3.97Å; L93-L276 HydrophobicContact CB-CG 4.45Å; L93-L276 HydrophobicContact CD1-CB 3.96Å; S94-L276 VanDerWaalsContact C-CD1 3.48Å; Q95-L276 HydrophobicContact CB-CD1 3.92Å; Q95-L276 HydrophobicContact CB-CD2 4.32Å; V120-L276 HydrophobicContact CG1-CB 4.49Å; V120-L276 HydrophobicContact CG1-CD1 4.35Å; E274-L276 PolarHBondContact O-N 3.26Å; L276-Q278 PolarHBondContact O-N 2.97Å; L276-E279 VanDerWaalsContact CA-OE2 3.23Å; L276-E279 WeakPolarHBondContact CA-OE2 3.34Å; L276-E279 HydrophobicContact CD2-CG 4.36Å; L276-E279 PolarHBondContact O-N 3.28Å; L276-L280 PolarHBondContact O-N 2.95Å; L276-L280 VanDerWaalsContact O-N 3.1Å
277S95.9Very high96.8Very high10 Ų1062.2 Ų62.27%0.0732%0.319CS..Hα-helixtrans-64.6-28.5-177.553.30000113.4Y270 E274 P275 G281Y270-S277 VanDerWaalsContact CZ-CA 3.49Å; Y270-S277 WeakPolarHBondContact OH-CA 3.41Å; E274-S277 WeakPolarHBondContact O-CB 3.38Å; E274-S277 PolarHBondContact O-N 2.91Å; E274-S277 VanDerWaalsContact O-N 3.09Å; E274-S277 PolarHBondContact O-OG 3.42Å; P275-S277 PolarHBondContact O-N 2.72Å; S277-G281 WeakPolarHBondContact O-CA 3.3Å; S277-G281 PolarHBondContact O-N 3.49Å
278Q94.4Very high96.8Very high161 Ų16161 Ų6175%0.75231%0.313SS*.Hα-helixtrans-75.2-40.6178.5-62.9-173.97.800111.4L276 G281L276-Q278 PolarHBondContact O-N 2.97Å; Q278-G281 PolarHBondContact O-N 2.82Å
279E94.8Very high96.8Very high105 Ų10559.2 Ų59.249%0.49131%0.313SS..Hα-helixtrans-68.7-42.6180-68.980.717400111.8V120 L276V120-E279 HydrophobicContact CG2-CB 4.1Å; L276-E279 VanDerWaalsContact CA-OE2 3.23Å; L276-E279 WeakPolarHBondContact CA-OE2 3.34Å; L276-E279 HydrophobicContact CD2-CG 4.36Å; L276-E279 PolarHBondContact O-N 3.28Å
280L94.9Very high96.9Very high14 Ų1458.5 Ų58.57%0.07331%0.311CS..Hα-helixtrans-79.1-23.6178.6-171.461.7000112.4A67 V70 Q71 L93 V120 L276A67-L280 HydrophobicContact CB-CD1 4.28Å; V70-L280 HydrophobicContact CB-CD1 4.25Å; V70-L280 HydrophobicContact CG1-CD1 4.24Å; V70-L280 HydrophobicContact CG1-CD2 4.02Å; Q71-L280 HydrophobicContact CB-CD1 4.18Å; Q71-L280 HydrophobicContact CB-CD2 4.17Å; Q71-L280 HydrophobicContact CB-CG 3.92Å; Q71-L280 HydrophobicContact CG-CG 4.28Å; Q71-L280 PolarHBondContact NE2-O 3.34Å; L93-L280 HydrophobicContact CD1-CB 4.19Å; L93-L280 HydrophobicContact CD1-CD2 3.59Å; L93-L280 HydrophobicContact CD2-CD2 3.67Å; L93-L280 HydrophobicContact CG-CD2 4.28Å; V120-L280 HydrophobicContact CB-CD1 4.42Å; V120-L280 HydrophobicContact CG1-CB 4.37Å; V120-L280 HydrophobicContact CG1-CD1 4.37Å; V120-L280 HydrophobicContact CG1-CD2 4.44Å; L276-L280 PolarHBondContact O-N 2.95Å; L276-L280 VanDerWaalsContact O-N 3.1Å
281G95.6Very high96.9Very high26 Ų2658.5 Ų58.527%0.26831%0.311SS..  trans80-168.2-177.800000113.6Q71 Y270 S277 Q278Q71-G281 PolarHBondContact NE2-O 3.01Å; Y270-G281 VanDerWaalsContact CE1-O 3.23Å; Y270-G281 WeakPolarHBondContact CE1-O 3.5Å; Y270-G281 PolarHBondContact OH-O 3.37Å; S277-G281 WeakPolarHBondContact O-CA 3.3Å; S277-G281 PolarHBondContact O-N 3.49Å; Q278-G281 PolarHBondContact O-N 2.82Å
282F97.8Very high97Very high34 Ų3452.4 Ų52.415%0.14929%0.288CS..  trans-138178.5-177.6-172.1-111.7000111.2Q71 L75 R263 L266 L267 Y270Q71-F282 PolarHBondContact NE2-O 2.83Å; L75-F282 HydrophobicContact CD1-CD2 4.1Å; L75-F282 HydrophobicContact CD1-CE2 4.33Å; L75-F282 HydrophobicContact CD2-CD2 3.67Å; L75-F282 HydrophobicContact CD2-CE2 3.69Å; R263-F282 HydrophobicContact CG-CE1 3.92Å; L266-F282 HydrophobicContact CB-CZ 4.28Å; L266-F282 HydrophobicContact CD2-CE2 4.32Å; L266-F282 HydrophobicContact CD2-CZ 4.33Å; L266-F282 HydrophobicContact CG-CE2 4.05Å; L266-F282 HydrophobicContact CG-CZ 4.22Å; L267-F282 HydrophobicContact CB-CD1 4.47Å; L267-F282 HydrophobicContact CB-CE1 3.95Å; L267-F282 HydrophobicContact CB-CE2 4.02Å; L267-F282 HydrophobicContact CB-CZ 3.7Å; L267-F282 HydrophobicContact CD1-CB 4.07Å; L267-F282 HydrophobicContact CD1-CD1 3.84Å; L267-F282 HydrophobicContact CD1-CD2 3.67Å; L267-F282 HydrophobicContact CD1-CE1 4.16Å; L267-F282 HydrophobicContact CD1-CE2 4Å; L267-F282 HydrophobicContact CD1-CG 3.57Å; L267-F282 HydrophobicContact CD1-CZ 4.24Å; L267-F282 HydrophobicContact CG-CE1 4.47Å; Y270-F282 AromaticContact CD1-CD2 3.75Å; Y270-F282 HydrophobicContact CD1-CD2 3.75Å; Y270-F282 HydrophobicContact CD1-CE2 4.31Å; Y270-F282 HydrophobicContact CE1-CD2 4.12Å
283L97.6Very high97.1Very high7 Ų750.4 Ų50.44%0.03728%0.278CS..  trans-53.6140171.8-57.1-177.3000111.7L75 L221 V222 L266 H287 A288 L291L75-L283 HydrophobicContact CD1-CD2 3.49Å; L75-L283 VanDerWaalsContact CD1-CD2 3.49Å; L75-L283 HydrophobicContact CD1-CG 3.77Å; L221-L283 HydrophobicContact CB-CD2 4.43Å; V222-L283 HydrophobicContact CG2-CD2 3.81Å; L266-L283 HydrophobicContact CD2-CD1 4.2Å; L283-H287 HydrophobicContact CB-CB 4.01Å; L283-H287 HydrophobicContact CD2-CB 4.2Å; L283-A288 HydrophobicContact CB-CB 4.42Å; L283-L291 HydrophobicContact CD1-CD2 4.21Å
284S97.3Very high97.2Very high52 Ų5248.6 Ų48.636%0.36427%0.268SS..  trans-63.6165.2163.867.40000110.9R263 E286 H287 A288R263-S284 PolarHBondContact NH1-O 3.13Å; S284-E286 PolarHBondContact O-N 2.93Å; S284-H287 PolarHBondContact O-N 3.05Å; S284-H287 WeakPolarHBondContact OG-CB 3.36Å; S284-H287 PolarHBondContact OG-N 3.43Å; S284-H287 VanDerWaalsContact OG-N 3.1Å; S284-A288 WeakPolarHBondContact O-CB 3.46Å; S284-A288 PolarHBondContact O-N 3.4Å
285D97.9Very high97.3Very high117 Ų11748.7 Ų48.763%0.62627%0.268SS*.Hα-helixtrans-60.1-38175.3-64.7-7000111.9R263 A288 A289R263-D285 IonicContact CZ-OD1 3.03Å; R263-D285 IonicContact NH1-OD1 2.73Å; R263-D285 PolarHBondContact NH1-OD1 2.91Å; R263-D285 IonicContact NH2-OD1 3.32Å; R263-D285 PolarHBondContact NH2-OD1 3.4Å; D285-A288 PolarHBondContact O-N 3.33Å; D285-A289 WeakPolarHBondContact O-CB 3.45Å; D285-A289 PolarHBondContact O-N 3.42Å
286E98.1Very high97.5Very high147 Ų14745.5 Ų45.569%0.68725%0.246SC*.Hα-helixtrans-62.8-50.8173.9-176.4179.6-175.900111.8S284 A288 A289 V290S284-E286 PolarHBondContact O-N 2.93Å; E286-A288 VanDerWaalsContact C-N 3.3Å; E286-A288 PolarHBondContact O-N 2.69Å; E286-A289 WeakPolarHBondContact O-CB 3.44Å; E286-A289 PolarHBondContact O-N 3.05Å; E286-A289 VanDerWaalsContact O-N 3.17Å; E286-V290 WeakPolarHBondContact O-CG2 3.34Å; E286-V290 PolarHBondContact O-N 3.1Å
287H98.4Very high97.6Very high31 Ų3148 Ų4814%0.14426%0.257CS..Hα-helixtrans-62.9-36.8178.5-75.1174.7000112.5V222 F225 L283 S284 V290 L291V222-H287 PolarHBondContact O-CE1 3.26Å; F225-H287 HydrophobicContact CD2-CB 3.83Å; F225-H287 AromaticContact CD2-CG 3.96Å; F225-H287 HydrophobicContact CE2-CB 4.45Å; F225-H287 VanDerWaalsContact CE2-O 3.27Å; F225-H287 WeakPolarHBondContact CE2-O 3.28Å; L283-H287 HydrophobicContact CB-CB 4.01Å; L283-H287 HydrophobicContact CD2-CB 4.2Å; S284-H287 PolarHBondContact O-N 3.05Å; S284-H287 WeakPolarHBondContact OG-CB 3.36Å; S284-H287 PolarHBondContact OG-N 3.43Å; S284-H287 VanDerWaalsContact OG-N 3.1Å; H287-V290 PolarHBondContact O-N 2.99Å; H287-L291 PolarHBondContact O-N 3.36Å
288A98.5Very high97.8Very high5 Ų547.5 Ų47.54%0.04125%0.254CS..Hα-helixtrans-66.6-38.9175.100000112.2R263 L283 S284 D285 E286 L291 Q292R263-A288 HydrophobicContact CB-CB 3.99Å; R263-A288 HydrophobicContact CG-CB 3.73Å; L283-A288 HydrophobicContact CB-CB 4.42Å; S284-A288 WeakPolarHBondContact O-CB 3.46Å; S284-A288 PolarHBondContact O-N 3.4Å; D285-A288 PolarHBondContact O-N 3.33Å; E286-A288 VanDerWaalsContact C-N 3.3Å; E286-A288 PolarHBondContact O-N 2.69Å; A288-L291 PolarHBondContact O-N 2.73Å; A288-Q292 PolarHBondContact O-N 3.48Å; A288-Q292 VanDerWaalsContact O-N 3.1Å
289A98.6Very high98Very high50 Ų5043.4 Ų43.441%0.41323%0.232SC..Hα-helixtrans-64.3-44.3173.600000111.3D285 E286 L291 Q292 D293D285-A289 WeakPolarHBondContact O-CB 3.45Å; D285-A289 PolarHBondContact O-N 3.42Å; E286-A289 WeakPolarHBondContact O-CB 3.44Å; E286-A289 PolarHBondContact O-N 3.05Å; E286-A289 VanDerWaalsContact O-N 3.17Å; A289-L291 VanDerWaalsContact C-N 3.34Å; A289-L291 PolarHBondContact O-N 3.49Å; A289-Q292 PolarHBondContact O-N 3.47Å; A289-Q292 VanDerWaalsContact O-N 3.13Å; A289-D293 PolarHBondContact O-N 2.98Å
290V98.8Very high98.2Very high32 Ų3243.6 Ų43.619%0.19423%0.231CC..Hα-helixtrans-56.6-46.9174.2171.30000111.1F225 L228 E286 H287 Q292 D293 R294F225-V290 HydrophobicContact CD1-CG1 3.67Å; F225-V290 HydrophobicContact CD2-CB 4.26Å; F225-V290 HydrophobicContact CD2-CG1 4.07Å; F225-V290 HydrophobicContact CE1-CG1 3.77Å; F225-V290 HydrophobicContact CE2-CB 4.36Å; F225-V290 HydrophobicContact CE2-CG1 4.14Å; F225-V290 HydrophobicContact CG-CB 4.43Å; F225-V290 HydrophobicContact CG-CG1 3.84Å; F225-V290 HydrophobicContact CZ-CG1 3.99Å; L228-V290 HydrophobicContact CD2-CG1 3.87Å; E286-V290 WeakPolarHBondContact O-CG2 3.34Å; E286-V290 PolarHBondContact O-N 3.1Å; H287-V290 PolarHBondContact O-N 2.99Å; V290-Q292 VanDerWaalsContact C-N 3.33Å; V290-Q292 PolarHBondContact O-N 2.9Å; V290-D293 PolarHBondContact O-N 3.06Å; V290-R294 HydrophobicContact CG1-CG 4.36Å; V290-R294 WeakPolarHBondContact O-CG 3.23Å; V290-R294 PolarHBondContact O-N 3.1Å
291L98.8Very high98.4Very high0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-58.6-44.6176.8177.460000111.8L79 L221 F225 L266 L283 H287 A288 A289 R294 I295L79-L291 HydrophobicContact CD2-CD1 3.88Å; L221-L291 HydrophobicContact CD2-CD1 4.24Å; F225-L291 HydrophobicContact CE2-CB 4.04Å; F225-L291 HydrophobicContact CZ-CB 4.01Å; F225-L291 HydrophobicContact CZ-CD1 4.39Å; L266-L291 HydrophobicContact CD2-CD2 3.93Å; L283-L291 HydrophobicContact CD1-CD2 4.21Å; H287-L291 PolarHBondContact O-N 3.36Å; A288-L291 PolarHBondContact O-N 2.73Å; A289-L291 VanDerWaalsContact C-N 3.34Å; A289-L291 PolarHBondContact O-N 3.49Å; L291-R294 PolarHBondContact O-N 3.44Å; L291-I295 HydrophobicContact CD1-CD1 4.26Å; L291-I295 HydrophobicContact CD1-CG1 4.5Å; L291-I295 HydrophobicContact CG-CD1 4.12Å; L291-I295 WeakPolarHBondContact O-CG1 3.43Å; L291-I295 PolarHBondContact O-N 3.44Å
292Q98.8Very high98.5Very high15 Ų1543.3 Ų43.37%0.0722%0.223CC..Hα-helixtrans-63.4-44.4178.3-174.660.257.900112S262 A288 A289 V290 R294 I295 D296S262-Q292 VanDerWaalsContact CB-OE1 3.29Å; S262-Q292 PolarHBondContact OG-OE1 3.02Å; A288-Q292 PolarHBondContact O-N 3.48Å; A288-Q292 VanDerWaalsContact O-N 3.1Å; A289-Q292 PolarHBondContact O-N 3.47Å; A289-Q292 VanDerWaalsContact O-N 3.13Å; V290-Q292 VanDerWaalsContact C-N 3.33Å; V290-Q292 PolarHBondContact O-N 2.9Å; Q292-R294 VanDerWaalsContact C-N 3.28Å; Q292-R294 PolarHBondContact O-N 3.37Å; Q292-I295 WeakPolarHBondContact O-CB 3.46Å; Q292-I295 PolarHBondContact O-N 3.38Å; Q292-D296 PolarHBondContact NE2-OD1 3.28Å; Q292-D296 VanDerWaalsContact NE2-OD1 3.16Å; Q292-D296 VanDerWaalsContact O-CG 3.31Å; Q292-D296 PolarHBondContact O-N 3.13Å
293D98.8Very high98.5Very high89 Ų8944.8 Ų44.848%0.47623%0.231SC..Hα-helixtrans-62.3-38.4178.1-71.5-13.5000111.1A289 V290 D296 Q297A289-D293 PolarHBondContact O-N 2.98Å; V290-D293 PolarHBondContact O-N 3.06Å; D293-D296 WeakPolarHBondContact O-CB 3.49Å; D293-D296 PolarHBondContact O-N 3.32Å; D293-Q297 VanDerWaalsContact O-CG 3.31Å; D293-Q297 WeakPolarHBondContact O-CG 3.47Å; D293-Q297 PolarHBondContact O-N 3.21Å
294R98.8Very high98.4Very high6 Ų649.1 Ų49.12%0.02325%0.251CS..Hα-helixtrans-67-38.7176-67.6179.287.469.6-3112.3Y175 L176 E232 V290 L291 Q292 D296 Q297 V298Y175-R294 HydrophobicContact CD1-CB 4.48Å; Y175-R294 HydrophobicContact CE1-CB 4.01Å; Y175-R294 HydrophobicContact CE1-CG 4.28Å; Y175-R294 PolarHBondContact O-NE 3.3Å; Y175-R294 PolarHBondContact O-NH2 2.76Å; L176-R294 HydrophobicContact CD2-CB 4.15Å; E232-R294 IonicContact OE1-CZ 3.82Å; E232-R294 IonicContact OE1-NH1 3.6Å; E232-R294 PolarHBondContact OE1-NH1 2.88Å; E232-R294 IonicContact OE1-NH2 2.95Å; E232-R294 IonicContact OE2-CZ 2.77Å; E232-R294 IonicContact OE2-NH1 2.69Å; E232-R294 PolarHBondContact OE2-NH1 2.85Å; E232-R294 IonicContact OE2-NH2 3.6Å; E232-R294 PolarHBondContact OE2-NH2 2.82Å; V290-R294 HydrophobicContact CG1-CG 4.36Å; V290-R294 WeakPolarHBondContact O-CG 3.23Å; V290-R294 PolarHBondContact O-N 3.1Å; L291-R294 PolarHBondContact O-N 3.44Å; Q292-R294 VanDerWaalsContact C-N 3.28Å; Q292-R294 PolarHBondContact O-N 3.37Å; R294-D296 VanDerWaalsContact C-N 3.3Å; R294-D296 PolarHBondContact O-N 3.23Å; R294-Q297 PolarHBondContact O-N 3.25Å; R294-V298 WeakPolarHBondContact O-CG2 3.37Å; R294-V298 PolarHBondContact O-N 3.37Å
295I98.9Very high98.4Very high1 Ų146.8 Ų46.81%0.00524%0.235CC..Hα-helixtrans-59.4-44.5171.7-70.6164.7000110.4L176 V253 L256 H257 L291 Q292 Q297 V298 Y299L176-I295 HydrophobicContact CD2-CB 4.35Å; L176-I295 HydrophobicContact CD2-CG1 3.71Å; V253-I295 HydrophobicContact CG1-CG2 4.38Å; L256-I295 HydrophobicContact CB-CD1 4.18Å; L256-I295 HydrophobicContact CB-CG2 3.91Å; L256-I295 HydrophobicContact CD1-CD1 4.16Å; H257-I295 HydrophobicContact CB-CG2 4.06Å; L291-I295 HydrophobicContact CD1-CD1 4.26Å; L291-I295 HydrophobicContact CD1-CG1 4.5Å; L291-I295 HydrophobicContact CG-CD1 4.12Å; L291-I295 WeakPolarHBondContact O-CG1 3.43Å; L291-I295 PolarHBondContact O-N 3.44Å; Q292-I295 WeakPolarHBondContact O-CB 3.46Å; Q292-I295 PolarHBondContact O-N 3.38Å; I295-Q297 VanDerWaalsContact C-N 3.31Å; I295-Q297 PolarHBondContact O-N 3.39Å; I295-V298 PolarHBondContact O-N 3.1Å; I295-Y299 PolarHBondContact O-N 3.37Å
296D98.9Very high98.2Very high25 Ų2544.8 Ų44.813%0.13422%0.221CC..Hα-helixtrans-61.6-40177.3-65.6-14.3000111.5H257 R260 Q292 D293 R294 Y299 K300H257-D296 IonicContact CE1-OD1 3.95Å; H257-D296 IonicContact CG-OD1 3.9Å; H257-D296 IonicContact ND1-OD1 3.55Å; H257-D296 PolarHBondContact ND1-OD1 2.79Å; R260-D296 IonicContact CZ-OD2 2.98Å; R260-D296 IonicContact NH1-OD1 3.61Å; R260-D296 IonicContact NH1-OD2 3.6Å; R260-D296 PolarHBondContact NH1-OD2 2.97Å; R260-D296 IonicContact NH2-OD2 2.91Å; R260-D296 PolarHBondContact NH2-OD2 3.03Å; Q292-D296 PolarHBondContact NE2-OD1 3.28Å; Q292-D296 VanDerWaalsContact NE2-OD1 3.16Å; Q292-D296 VanDerWaalsContact O-CG 3.31Å; Q292-D296 PolarHBondContact O-N 3.13Å; D293-D296 WeakPolarHBondContact O-CB 3.49Å; D293-D296 PolarHBondContact O-N 3.32Å; R294-D296 VanDerWaalsContact C-N 3.3Å; R294-D296 PolarHBondContact O-N 3.23Å; D296-Y299 PolarHBondContact O-N 3.24Å; D296-K300 WeakPolarHBondContact O-CB 3.01Å; D296-K300 PolarHBondContact O-N 3.36Å
297Q98.8Very high98Very high81 Ų8143.3 Ų43.338%0.37921%0.213SC..Hα-helixtrans-70.5-39.3177.9-66-67.936.500113.3Y175 D293 R294 I295 Y299 K300 H301Y175-Q297 HydrophobicContact CE1-CB 4.27Å; D293-Q297 VanDerWaalsContact O-CG 3.31Å; D293-Q297 WeakPolarHBondContact O-CG 3.47Å; D293-Q297 PolarHBondContact O-N 3.21Å; R294-Q297 PolarHBondContact O-N 3.25Å; I295-Q297 VanDerWaalsContact C-N 3.31Å; I295-Q297 PolarHBondContact O-N 3.39Å; Q297-Y299 VanDerWaalsContact C-N 3.35Å; Q297-K300 PolarHBondContact O-N 2.92Å; Q297-H301 WeakPolarHBondContact O-CB 3.45Å; Q297-H301 PolarHBondContact O-N 3.28Å
298V98.9Very high97.7Very high0 Ų046.9 Ų46.90%023%0.229CC..Hα-helixtrans-61.9-46.1172.6173.50000110.1V172 Y175 L176 L239 V253 R294 I295 K300 H301 V302V172-V298 HydrophobicContact CG1-CG1 3.72Å; V172-V298 HydrophobicContact CG1-CG2 4.31Å; V172-V298 HydrophobicContact CG2-CG1 4.42Å; Y175-V298 HydrophobicContact CD1-CG2 3.38Å; Y175-V298 HydrophobicContact CE1-CG2 3.8Å; Y175-V298 HydrophobicContact CG-CG2 4.34Å; L176-V298 HydrophobicContact CD2-CB 4.32Å; L176-V298 HydrophobicContact CD2-CG2 3.63Å; L176-V298 HydrophobicContact CG-CG2 4.09Å; L239-V298 HydrophobicContact CD1-CG2 4.49Å; L239-V298 HydrophobicContact CD2-CG2 4.33Å; V253-V298 HydrophobicContact CG1-CB 4.25Å; V253-V298 HydrophobicContact CG1-CG1 3.89Å; R294-V298 WeakPolarHBondContact O-CG2 3.37Å; R294-V298 PolarHBondContact O-N 3.37Å; I295-V298 PolarHBondContact O-N 3.1Å; V298-K300 VanDerWaalsContact C-N 3.34Å; V298-K300 PolarHBondContact O-N 3.22Å; V298-H301 WeakPolarHBondContact O-CB 3.37Å; V298-H301 PolarHBondContact O-N 2.98Å; V298-V302 HydrophobicContact CG1-CG2 4.43Å; V298-V302 VanDerWaalsContact O-CG2 3.29Å; V298-V302 WeakPolarHBondContact O-CG2 3.46Å; V298-V302 PolarHBondContact O-N 3.36Å
299Y98.8Very high97.3Very high74 Ų7447.5 Ų47.529%0.2923%0.23SC..Hα-helixtrans-59.3-45.6177.1180-96.9000111.8A254 H257 I295 D296 Q297 H301 V302 M303A254-Y299 HydrophobicContact CB-CD2 3.86Å; A254-Y299 HydrophobicContact CB-CE2 3.68Å; H257-Y299 HydrophobicContact CB-CD2 4.28Å; H257-Y299 HydrophobicContact CB-CG 4.02Å; H257-Y299 AromaticContact CD2-CD1 3.18Å; H257-Y299 WeakPolarHBondContact CD2-CD1 3.23Å; H257-Y299 AromaticContact CD2-CD2 3.97Å; H257-Y299 AromaticContact CD2-CE1 3.39Å; H257-Y299 WeakPolarHBondContact CD2-CE1 3.32Å; H257-Y299 AromaticContact CD2-CG 3.49Å; H257-Y299 VanDerWaalsContact CD2-CG 3.49Å; H257-Y299 AromaticContact CD2-CZ 3.87Å; H257-Y299 AromaticContact CE1-CD1 3.93Å; H257-Y299 AromaticContact CG-CD1 3.73Å; H257-Y299 AromaticContact CG-CG 3.66Å; H257-Y299 AromaticContact NE2-CD1 3.34Å; H257-Y299 VanDerWaalsContact NE2-CD1 3.34Å; H257-Y299 WeakPolarHBondContact NE2-CD1 3.23Å; H257-Y299 AromaticContact NE2-CE1 3.5Å; I295-Y299 PolarHBondContact O-N 3.37Å; D296-Y299 PolarHBondContact O-N 3.24Å; Q297-Y299 VanDerWaalsContact C-N 3.35Å; Y299-H301 PolarHBondContact O-N 3.23Å; Y299-V302 PolarHBondContact O-N 3.24Å; Y299-M303 HydrophobicContact CD1-CG 4.24Å; Y299-M303 HydrophobicContact CE1-CG 3.81Å; Y299-M303 HydrophobicContact CE2-CG 4.48Å; Y299-M303 WeakPolarHBondContact O-CG 3.47Å; Y299-M303 PolarHBondContact O-N 3.33Å
300K98.8Very high96.5Very high109 Ų10947.7 Ų47.747%0.47422%0.224SC..Hα-helixtrans-58.8-45.2175.5-177.4-177.8177.9-177.40112D296 Q297 V298 V302 M303 Q304D296-K300 WeakPolarHBondContact O-CB 3.01Å; D296-K300 PolarHBondContact O-N 3.36Å; Q297-K300 PolarHBondContact O-N 2.92Å; V298-K300 VanDerWaalsContact C-N 3.34Å; V298-K300 PolarHBondContact O-N 3.22Å; K300-V302 PolarHBondContact O-N 3.02Å; K300-M303 PolarHBondContact O-N 3.46Å; K300-Q304 WeakPolarHBondContact O-CG 3.41Å; K300-Q304 PolarHBondContact O-N 2.98Å
301H98.6Very high94.8Very high23 Ų2352.8 Ų52.811%0.10625%0.246CC..Hα-helixtrans-59.7-45.1177.2178.964.3000111.8L239 V242 F245 Q297 V298 Y299 M303 Q304 C305L239-H301 HydrophobicContact CD2-CB 4.24Å; L239-H301 PolarHBondContact O-NE2 3.28Å; V242-H301 PolarHBondContact O-NE2 3.03Å; F245-H301 AromaticContact CZ-CD2 3.75Å; F245-H301 AromaticContact CZ-NE2 3.86Å; Q297-H301 WeakPolarHBondContact O-CB 3.45Å; Q297-H301 PolarHBondContact O-N 3.28Å; V298-H301 WeakPolarHBondContact O-CB 3.37Å; V298-H301 PolarHBondContact O-N 2.98Å; Y299-H301 PolarHBondContact O-N 3.23Å; H301-M303 VanDerWaalsContact C-N 3.32Å; H301-M303 PolarHBondContact O-N 3.05Å; H301-Q304 WeakPolarHBondContact O-CB 3.45Å; H301-Q304 PolarHBondContact O-N 2.92Å; H301-C305 PolarHBondContact O-N 3.23Å; H301-C305 PolarHBondContact O-SG 3.17Å
302V98Very high92.9Very high11 Ų1157.8 Ų57.87%0.06727%0.269CS..Hα-helixtrans-59.3-43.2176172.40000111.2I5 F245 M250 V298 Y299 K300 C305 K306I5-V302 HydrophobicContact CD1-CG1 3.78Å; F245-V302 HydrophobicContact CD2-CG2 4.22Å; F245-V302 HydrophobicContact CE1-CG2 4.33Å; F245-V302 HydrophobicContact CE2-CB 4.47Å; F245-V302 HydrophobicContact CE2-CG2 3.98Å; F245-V302 HydrophobicContact CG-CG2 4.48Å; F245-V302 HydrophobicContact CZ-CG2 4.04Å; M250-V302 HydrophobicContact CG-CG2 4.34Å; M250-V302 HydrophobicContact SD-CG2 3.47Å; M250-V302 WeakPolarHBondContact SD-CG2 3.48Å; V298-V302 HydrophobicContact CG1-CG2 4.43Å; V298-V302 VanDerWaalsContact O-CG2 3.29Å; V298-V302 WeakPolarHBondContact O-CG2 3.46Å; V298-V302 PolarHBondContact O-N 3.36Å; Y299-V302 PolarHBondContact O-N 3.24Å; K300-V302 PolarHBondContact O-N 3.02Å; V302-C305 PolarHBondContact O-N 3.17Å; V302-K306 WeakPolarHBondContact O-CB 3.4Å; V302-K306 PolarHBondContact O-N 3.4Å
303M97.8Very high90.7Very high65 Ų6562 Ų6232%0.3230%0.296SS..Hα-helixtrans-64.5-40.9176.9-69.3-55.4-61.100112.2Y299 K300 H301 K306 E307Y299-M303 HydrophobicContact CD1-CG 4.24Å; Y299-M303 HydrophobicContact CE1-CG 3.81Å; Y299-M303 HydrophobicContact CE2-CG 4.48Å; Y299-M303 WeakPolarHBondContact O-CG 3.47Å; Y299-M303 PolarHBondContact O-N 3.33Å; K300-M303 PolarHBondContact O-N 3.46Å; H301-M303 VanDerWaalsContact C-N 3.32Å; H301-M303 PolarHBondContact O-N 3.05Å; M303-K306 WeakPolarHBondContact O-CB 3.31Å; M303-K306 PolarHBondContact O-N 2.75Å; M303-E307 WeakPolarHBondContact O-CG 3.33Å; M303-E307 PolarHBondContact O-N 3.17Å
304Q97Very high88.3Confident98 Ų9862.8 Ų62.846%0.45831%0.308SS..Hα-helixtrans-63.4-42.9175.2-71.2173.5-22.500112.3K300 H301 K306 E307 K308K300-Q304 WeakPolarHBondContact O-CG 3.41Å; K300-Q304 PolarHBondContact O-N 2.98Å; H301-Q304 WeakPolarHBondContact O-CB 3.45Å; H301-Q304 PolarHBondContact O-N 2.92Å; Q304-K306 VanDerWaalsContact C-N 3.32Å; Q304-K306 PolarHBondContact O-N 3.03Å; Q304-E307 PolarHBondContact O-N 3.44Å; Q304-K308 WeakPolarHBondContact O-CB 3.47Å; Q304-K308 PolarHBondContact O-N 3.39Å
305C96.6Very high85.5Confident3 Ų370.7 Ų70.72%0.0236%0.358CS..Hα-helixtrans-59.2-44.9172.6-68.60000110.8I5 C243 F245 H301 V302 E307 K308 Y309I5-C305 HydrophobicContact CG2-CB 4.01Å; C243-C305 WeakPolarHBondContact CA-SG 3.49Å; C243-C305 HydrophobicContact CB-CB 3.61Å; C243-C305 WeakPolarHBondContact CB-SG 3.36Å; C243-C305 WeakPolarHBondContact SG-CB 3.45Å; C243-C305 CovalentContact SG-SG 2.05Å; C243-C305 PolarHBondContact SG-SG 3.24Å; F245-C305 HydrophobicContact CE2-CB 4.12Å; H301-C305 PolarHBondContact O-N 3.23Å; H301-C305 PolarHBondContact O-SG 3.17Å; V302-C305 PolarHBondContact O-N 3.17Å; C305-E307 PolarHBondContact O-N 3.08Å; C305-K308 PolarHBondContact O-N 3.12Å; C305-Y309 HydrophobicContact CB-CD2 4.49Å; C305-Y309 WeakPolarHBondContact O-CD2 3.15Å; C305-Y309 PolarHBondContact O-N 3.15Å
306K94.4Very high84.8Confident76 Ų7674.2 Ų74.233%0.3338%0.375SS..Hα-helixtrans-61-46.1179.6-169.8174.5-178.2179.30111.9I5 V302 M303 Q304 N310I5-K306 HydrophobicContact CD1-CB 3.8Å; I5-K306 HydrophobicContact CD1-CG 4.33Å; I5-K306 HydrophobicContact CG1-CB 4.35Å; V302-K306 WeakPolarHBondContact O-CB 3.4Å; V302-K306 PolarHBondContact O-N 3.4Å; M303-K306 WeakPolarHBondContact O-CB 3.31Å; M303-K306 PolarHBondContact O-N 2.75Å; Q304-K306 VanDerWaalsContact C-N 3.32Å; Q304-K306 PolarHBondContact O-N 3.03Å; K306-N310 WeakPolarHBondContact CG-ND2 3.27Å; K306-N310 WeakPolarHBondContact O-CB 3.09Å; K306-N310 PolarHBondContact O-N 3.47Å
307E93.6Very high84.1Confident115 Ų11576.8 Ų76.854%0.53739%0.388SS..Hα-helixtrans-60.3-47.6176.1-73.6172.2-173.500111.5M303 Q304 C305 Y309 Q311M303-E307 WeakPolarHBondContact O-CG 3.33Å; M303-E307 PolarHBondContact O-N 3.17Å; Q304-E307 PolarHBondContact O-N 3.44Å; C305-E307 PolarHBondContact O-N 3.08Å; E307-Y309 PolarHBondContact O-N 3.46Å; E307-Q311 VanDerWaalsContact O-CG 3.27Å; E307-Q311 WeakPolarHBondContact O-CG 3.47Å; E307-Q311 PolarHBondContact O-N 3.21Å
308K92.4Very high83.3Confident106 Ų10676.6 Ų76.646%0.46139%0.389SS..Hα-helixtrans-60.1-44.8-179.5-179176.7177.1-176.20112.7Q304 C305Q304-K308 WeakPolarHBondContact O-CB 3.47Å; Q304-K308 PolarHBondContact O-N 3.39Å; C305-K308 PolarHBondContact O-N 3.12Å
309Y89.3Confident82.4Confident18 Ų1881.1 Ų81.17%0.07141%0.412CS..Hα-helixtrans-96-19.3-169.9-67.3-67.4000114.6I5 H147 P148 C243 C305 E307 Q312 T313I5-Y309 HydrophobicContact CG2-CD2 4.34Å; H147-Y309 AromaticContact CD2-CE2 3.96Å; H147-Y309 AromaticContact CD2-CZ 3.72Å; H147-Y309 PolarHBondContact CD2-OH 3.35Å; P148-Y309 HydrophobicContact CG-CD1 3.38Å; P148-Y309 HydrophobicContact CG-CD2 3.49Å; P148-Y309 VanDerWaalsContact CG-CD2 3.49Å; P148-Y309 HydrophobicContact CG-CE1 3.9Å; P148-Y309 HydrophobicContact CG-CE2 4.01Å; P148-Y309 HydrophobicContact CG-CG 3.17Å; C243-Y309 HydrophobicContact CB-CD2 4.02Å; C243-Y309 HydrophobicContact CB-CE2 3.56Å; C305-Y309 HydrophobicContact CB-CD2 4.49Å; C305-Y309 WeakPolarHBondContact O-CD2 3.15Å; C305-Y309 PolarHBondContact O-N 3.15Å; E307-Y309 PolarHBondContact O-N 3.46Å; Y309-Q312 VanDerWaalsContact CD1-OE1 3.23Å; Y309-T313 PolarHBondContact O-OG1 3.23Å
310N81.6Confident81.3Confident54 Ų5481.5 Ų81.529%0.28942%0.419SS..Hα-helixtrans-73.3-29.2169.5-74.9-5.3000112.9D3 K306 Q312 T313 S314D3-N310 PolarHBondContact O-OD1 3.25Å; K306-N310 WeakPolarHBondContact CG-ND2 3.27Å; K306-N310 WeakPolarHBondContact O-CB 3.09Å; K306-N310 PolarHBondContact O-N 3.47Å; N310-Q312 VanDerWaalsContact C-N 3.33Å; N310-T313 PolarHBondContact O-OG1 3.36Å; N310-S314 PolarHBondContact O-OG 2.98Å; N310-S314 VanDerWaalsContact O-OG 3.14Å
311Q63.9Low80.2Confident139 Ų13979.7 Ų79.765%0.6542%0.416SS*.Hα-helixtrans-67.7-35174.7-72.5175.46.500111.8E307 S314E307-Q311 VanDerWaalsContact O-CG 3.27Å; E307-Q311 WeakPolarHBondContact O-CG 3.47Å; E307-Q311 PolarHBondContact O-N 3.21Å; Q311-S314 PolarHBondContact O-N 3.22Å
312Q57.9Low78.9Confident105 Ų10583.7 Ų83.749%0.49144%0.438SS..Hα-helixtrans-74.3-22.2-179.4-69-179.4-7.600113.9Y309 N310 T315Y309-Q312 VanDerWaalsContact CD1-OE1 3.23Å; N310-Q312 VanDerWaalsContact C-N 3.33Å; Q312-T315 PolarHBondContact O-OG1 3.49Å
313T53.9Low77.4Confident104 Ų10489.3 Ų89.364%0.63847%0.466SS*.THydrogen-bonded Turntrans-85.5-7.4175.645.60000114Y309 N310Y309-T313 PolarHBondContact O-OG1 3.23Å; N310-T313 PolarHBondContact O-OG1 3.36Å
314S47.9Very low75.7Confident105 Ų10591.3 Ų91.373%0.73448%0.478SS*.  trans-102.23.4-177.9-54.50000113.6N310 Q311N310-S314 PolarHBondContact O-OG 2.98Å; N310-S314 VanDerWaalsContact O-OG 3.14Å; Q311-S314 PolarHBondContact O-N 3.22Å
315T39.7Very low73.7Confident173 Ų17390.7 Ų90.7100%1.06148%0.48SS*.  trans-1210177.246.70000109.8Q312Q312-T315 PolarHBondContact O-OG1 3.49Å

Retrieved 315 of 315 residues in 126.4 ms (Link to these results)

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