A0A077ZJE3_TRITR Loading...

2-oxoadipate dioxygenase/decarboxylase

AlphaFold DB (P76097), UniProt , Accession A0A077ZJE3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 447 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
1M45.7Very low84.4Confident234 Ų23470.4 Ų70.4100%1.15341%0.413SS*.  0113.40-70.8-175.9-9200105.4
2A54.7Low85.5Confident93 Ų9370.5 Ų70.577%0.76941%0.406SS*.  trans-59.1138.9176.600000108.1S4A2-S4 PolarHBondContact O-N 3.18Å
3N68.1Low86.4Confident154 Ų15470.2 Ų70.282%0.82440%0.399SS*.  trans-67.274.1178.2-75-7.7000109.5
4S81.8Confident87.3Confident82 Ų8265.1 Ų65.157%0.57337%0.37SS*.BIsolated β-bridgetrans-72.6129.3176.156.70000109.1A2 F172A2-S4 PolarHBondContact O-N 3.18Å; S4-F172 VanDerWaalsContact CA-O 3.26Å; S4-F172 WeakPolarHBondContact CA-O 3.29Å
5I93.5Very high88Confident27 Ų2760.8 Ų60.814%0.13835%0.346CS..PPolyproline II helixtrans-73.9148.3173.2-168.9169.3000109.6E9 I10 F172 A177I5-E9 HydrophobicContact CD1-CB 3.83Å; I5-E9 HydrophobicContact CG1-CB 3.54Å; I5-E9 HydrophobicContact CG1-CG 4.35Å; I5-E9 VanDerWaalsContact CG1-OE2 3.27Å; I5-E9 WeakPolarHBondContact CG1-OE2 3.42Å; I5-I10 HydrophobicContact CD1-CG1 4.45Å; I5-I10 HydrophobicContact CG1-CG1 4.44Å; I5-I10 HydrophobicContact CG2-CD1 3.87Å; I5-I10 HydrophobicContact CG2-CG1 3.8Å; I5-F172 HydrophobicContact CG2-CB 4.29Å; I5-F172 PolarHBondContact N-O 3.03Å; I5-F172 VanDerWaalsContact N-O 3.08Å; I5-A177 HydrophobicContact CD1-CB 4.28Å; I5-A177 HydrophobicContact CG2-CB 3.57Å
6T95.8Very high88.6Confident63 Ų6363.4 Ų63.439%0.38735%0.354SS..PPolyproline II helixtrans-79.3152.8179.9640000111.6D8 E9 I10T6-D8 PolarHBondContact O-N 3.38Å; T6-E9 PolarHBondContact N-OE2 3.29Å; T6-E9 WeakPolarHBondContact O-CB 3.49Å; T6-E9 PolarHBondContact O-N 3.24Å; T6-E9 VanDerWaalsContact O-N 3.11Å; T6-E9 VanDerWaalsContact OG1-CG 3.29Å; T6-E9 WeakPolarHBondContact OG1-CG 3.32Å; T6-E9 PolarHBondContact OG1-N 3Å; T6-E9 PolarHBondContact OG1-OE2 3.1Å; T6-I10 WeakPolarHBondContact O-CG1 3.34Å; T6-I10 PolarHBondContact O-N 3.48Å
7A97.6Very high89.1Confident31 Ų3160.9 Ų60.926%0.25634%0.343SS..Hα-helixtrans-57.4-34.4175.900000112.6I10 R11 I88A7-I10 PolarHBondContact O-N 2.96Å; A7-R11 WeakPolarHBondContact O-CB 3.48Å; A7-R11 PolarHBondContact O-N 3.47Å; A7-I88 WeakPolarHBondContact CB-O 3.36Å
8D97.3Very high89.6Confident27 Ų2757.7 Ų57.714%0.14433%0.325CS..Hα-helixtrans-67.1-36.6178.2-64.9-17.6000112.4T6 R11 E12 S118T6-D8 PolarHBondContact O-N 3.38Å; D8-R11 VanDerWaalsContact CG-NH2 3.3Å; D8-R11 PolarHBondContact O-N 3.05Å; D8-R11 IonicContact OD1-CZ 3.49Å; D8-R11 IonicContact OD1-NH1 3.42Å; D8-R11 PolarHBondContact OD1-NH1 3.18Å; D8-R11 IonicContact OD1-NH2 3.78Å; D8-R11 PolarHBondContact OD1-NH2 2.94Å; D8-E12 WeakPolarHBondContact O-CB 3.44Å; D8-E12 PolarHBondContact O-N 3.37Å; D8-S118 VanDerWaalsContact CG-OG 3.3Å; D8-S118 VanDerWaalsContact OD1-CB 3.32Å; D8-S118 WeakPolarHBondContact OD1-CB 3.21Å; D8-S118 PolarHBondContact OD1-OG 3.25Å; D8-S118 WeakPolarHBondContact OD2-CA 3.18Å; D8-S118 WeakPolarHBondContact OD2-CB 3.33Å; D8-S118 PolarHBondContact OD2-OG 2.96Å
9E97.1Very high90Very high61 Ų6154.8 Ų54.829%0.28531%0.309SS..Hα-helixtrans-68.2-41.1174.2-78.6161.1163.100112.2I5 T6 R11 E12 Q13 R121I5-E9 HydrophobicContact CD1-CB 3.83Å; I5-E9 HydrophobicContact CG1-CB 3.54Å; I5-E9 HydrophobicContact CG1-CG 4.35Å; I5-E9 VanDerWaalsContact CG1-OE2 3.27Å; I5-E9 WeakPolarHBondContact CG1-OE2 3.42Å; T6-E9 PolarHBondContact N-OE2 3.29Å; T6-E9 WeakPolarHBondContact O-CB 3.49Å; T6-E9 PolarHBondContact O-N 3.24Å; T6-E9 VanDerWaalsContact O-N 3.11Å; T6-E9 VanDerWaalsContact OG1-CG 3.29Å; T6-E9 WeakPolarHBondContact OG1-CG 3.32Å; T6-E9 PolarHBondContact OG1-N 3Å; T6-E9 PolarHBondContact OG1-OE2 3.1Å; E9-R11 VanDerWaalsContact C-N 3.33Å; E9-E12 PolarHBondContact O-N 2.8Å; E9-Q13 VanDerWaalsContact O-CG 3.31Å; E9-Q13 WeakPolarHBondContact O-CG 3.35Å; E9-Q13 PolarHBondContact O-N 3.44Å; E9-R121 IonicContact OE1-CZ 2.75Å; E9-R121 IonicContact OE1-NH1 3.3Å; E9-R121 IonicContact OE1-NH2 3.03Å; E9-R121 PolarHBondContact OE1-NH2 3.47Å
10I98.2Very high90.4Very high2 Ų254.7 Ų54.71%0.0132%0.315CS..Hα-helixtrans-62.7-44.6174.9-54.1176.8000109.7I5 T6 A7 E12 Q13 F14 I88 M89 F172 A177 F180 V181I5-I10 HydrophobicContact CD1-CG1 4.45Å; I5-I10 HydrophobicContact CG1-CG1 4.44Å; I5-I10 HydrophobicContact CG2-CD1 3.87Å; I5-I10 HydrophobicContact CG2-CG1 3.8Å; T6-I10 WeakPolarHBondContact O-CG1 3.34Å; T6-I10 PolarHBondContact O-N 3.48Å; A7-I10 PolarHBondContact O-N 2.96Å; I10-E12 PolarHBondContact O-N 3.33Å; I10-Q13 PolarHBondContact O-N 3.24Å; I10-F14 WeakPolarHBondContact O-CB 3.3Å; I10-F14 PolarHBondContact O-N 3.22Å; I10-I88 HydrophobicContact CD1-CG2 3.89Å; I10-M89 HydrophobicContact CB-CG 4.32Å; I10-M89 HydrophobicContact CG2-CG 3.75Å; I10-F172 HydrophobicContact CD1-CD2 4.13Å; I10-A177 HydrophobicContact CD1-CB 4.1Å; I10-A177 HydrophobicContact CG1-CB 3.97Å; I10-F180 HydrophobicContact CG2-CD1 4.07Å; I10-F180 HydrophobicContact CG2-CE1 4.31Å; I10-V181 HydrophobicContact CG2-CG2 3.95Å
11R98.4Very high90.7Very high0 Ų052.7 Ų52.70%030%0.303CS..Hα-helixtrans-60.9-43.7177.4-175.7171.863.3-112.22.9112.6A7 D8 E9 F14 S15 M89 M91 S118 N122 F124A7-R11 WeakPolarHBondContact O-CB 3.48Å; A7-R11 PolarHBondContact O-N 3.47Å; D8-R11 VanDerWaalsContact CG-NH2 3.3Å; D8-R11 PolarHBondContact O-N 3.05Å; D8-R11 IonicContact OD1-CZ 3.49Å; D8-R11 IonicContact OD1-NH1 3.42Å; D8-R11 PolarHBondContact OD1-NH1 3.18Å; D8-R11 IonicContact OD1-NH2 3.78Å; D8-R11 PolarHBondContact OD1-NH2 2.94Å; E9-R11 VanDerWaalsContact C-N 3.33Å; R11-F14 PolarHBondContact O-N 2.85Å; R11-S15 WeakPolarHBondContact O-CB 3.29Å; R11-S15 PolarHBondContact O-N 2.97Å; R11-M89 HydrophobicContact CB-CB 4.01Å; R11-M89 WeakPolarHBondContact CB-O 3.45Å; R11-M89 WeakPolarHBondContact CD-O 3.45Å; R11-M89 HydrophobicContact CG-CB 4.49Å; R11-M89 PolarHBondContact NH1-O 3.33Å; R11-M91 HydrophobicContact CG-CG 4.36Å; R11-M91 HydrophobicContact CG-SD 3.92Å; R11-S118 PolarHBondContact NH2-O 2.68Å; R11-N122 PolarHBondContact NE-O 2.79Å; R11-N122 PolarHBondContact NH2-O 3.03Å; R11-N122 VanDerWaalsContact NH2-O 3.08Å; R11-F124 HydrophobicContact CG-CB 3.98Å; R11-F124 HydrophobicContact CG-CD1 4.38Å
12E97.5Very high93.1Very high72 Ų7241.6 Ų41.634%0.33625%0.248SC..Hα-helixtrans-61-48.2177.1-177.917917200111.3D8 E9 I10 F14 S15 Q16 R121 N122D8-E12 WeakPolarHBondContact O-CB 3.44Å; D8-E12 PolarHBondContact O-N 3.37Å; E9-E12 PolarHBondContact O-N 2.8Å; I10-E12 PolarHBondContact O-N 3.33Å; E12-F14 PolarHBondContact O-N 3.35Å; E12-S15 PolarHBondContact O-N 2.99Å; E12-Q16 WeakPolarHBondContact O-CB 3.49Å; E12-Q16 PolarHBondContact O-N 2.87Å; E12-R121 IonicContact OE2-CZ 3.72Å; E12-R121 IonicContact OE2-NE 2.77Å; E12-R121 PolarHBondContact OE2-NE 3.01Å; E12-R121 IonicContact OE2-NH2 3.92Å; E12-N122 HydrophobicContact CB-CB 4.24Å
13Q97.7Very high95Very high66 Ų6641.1 Ų41.131%0.30823%0.23SC..Hα-helixtrans-60.8-43.5175.8-70.9176.834.500112E9 I10 Q16 A17 V181E9-Q13 VanDerWaalsContact O-CG 3.31Å; E9-Q13 WeakPolarHBondContact O-CG 3.35Å; E9-Q13 PolarHBondContact O-N 3.44Å; I10-Q13 PolarHBondContact O-N 3.24Å; Q13-Q16 PolarHBondContact O-N 3.35Å; Q13-A17 VanDerWaalsContact O-CB 3.31Å; Q13-A17 WeakPolarHBondContact O-CB 3.16Å; Q13-A17 PolarHBondContact O-N 2.7Å; Q13-V181 HydrophobicContact CB-CG2 4.25Å
14F98.4Very high96.3Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-63.8-47.5177.7-179-107.6000112.3I10 R11 E12 Q16 A17 M18 F86 M89 F124 V181 A184 F188I10-F14 WeakPolarHBondContact O-CB 3.3Å; I10-F14 PolarHBondContact O-N 3.22Å; R11-F14 PolarHBondContact O-N 2.85Å; E12-F14 PolarHBondContact O-N 3.35Å; F14-Q16 VanDerWaalsContact C-N 3.29Å; F14-Q16 PolarHBondContact O-N 2.88Å; F14-A17 PolarHBondContact O-N 3.45Å; F14-M18 HydrophobicContact CD1-CE 4.36Å; F14-M18 HydrophobicContact CE1-CE 3.38Å; F14-M18 HydrophobicContact CE1-SD 4.45Å; F14-M18 HydrophobicContact CE2-CE 4.02Å; F14-M18 HydrophobicContact CZ-CE 3.17Å; F14-M18 WeakPolarHBondContact O-CB 3.3Å; F14-M18 PolarHBondContact O-N 3.13Å; F14-F86 HydrophobicContact CE1-CE1 4.33Å; F14-M89 HydrophobicContact CB-SD 3.53Å; F14-M89 VanDerWaalsContact CB-SD 3.53Å; F14-M89 HydrophobicContact CD1-CE 4.16Å; F14-M89 HydrophobicContact CD1-SD 3.4Å; F14-M89 WeakPolarHBondContact CD1-SD 3.34Å; F14-M89 HydrophobicContact CD2-SD 4.02Å; F14-M89 HydrophobicContact CE1-CE 4.19Å; F14-M89 HydrophobicContact CE1-SD 4.03Å; F14-M89 HydrophobicContact CG-CE 4.33Å; F14-M89 HydrophobicContact CG-SD 3.38Å; F14-M89 WeakPolarHBondContact CG-SD 3.39Å; F14-M89 HydrophobicContact CZ-CE 4.4Å; F14-F124 HydrophobicContact CD1-CD1 4.28Å; F14-F124 AromaticContact CD1-CE1 3.76Å; F14-F124 HydrophobicContact CD1-CE1 3.76Å; F14-F124 AromaticContact CE1-CE1 3.77Å; F14-F124 HydrophobicContact CE1-CE1 3.77Å; F14-F124 HydrophobicContact CE1-CZ 4.47Å; F14-V181 HydrophobicContact CB-CG1 4.43Å; F14-V181 HydrophobicContact CB-CG2 4.26Å; F14-V181 HydrophobicContact CD2-CG1 4.38Å; F14-A184 HydrophobicContact CE2-CB 3.99Å; F14-F188 HydrophobicContact CE2-CD2 4.22Å; F14-F188 AromaticContact CE2-CE2 3.98Å; F14-F188 HydrophobicContact CE2-CE2 3.98Å; F14-F188 AromaticContact CZ-CD2 3.83Å; F14-F188 HydrophobicContact CZ-CD2 3.83Å; F14-F188 AromaticContact CZ-CE2 3.47Å; F14-F188 HydrophobicContact CZ-CE2 3.47Å; F14-F188 VanDerWaalsContact CZ-CE2 3.47Å; F14-F188 HydrophobicContact CZ-CZ 4.32Å
15S97.9Very high96.9Very high0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-58.5-41176173.40000111.9R11 E12 S19 R67 F124R11-S15 WeakPolarHBondContact O-CB 3.29Å; R11-S15 PolarHBondContact O-N 2.97Å; E12-S15 PolarHBondContact O-N 2.99Å; S15-S19 WeakPolarHBondContact O-CB 3.42Å; S15-S19 PolarHBondContact O-N 3.42Å; S15-R67 PolarHBondContact OG-NE 3.23Å; S15-R67 PolarHBondContact OG-NH2 3.19Å; S15-R67 VanDerWaalsContact OG-NH2 3.14Å; S15-F124 WeakPolarHBondContact OG-CD2 3.42Å
16Q97.5Very high96.8Very high103 Ų10337.9 Ų37.948%0.48120%0.2SC..Hα-helixtrans-69.9-44.6178.1-17261.219.700112.2E12 Q13 F14 M18 S19 A20 R67E12-Q16 WeakPolarHBondContact O-CB 3.49Å; E12-Q16 PolarHBondContact O-N 2.87Å; Q13-Q16 PolarHBondContact O-N 3.35Å; F14-Q16 VanDerWaalsContact C-N 3.29Å; F14-Q16 PolarHBondContact O-N 2.88Å; Q16-M18 VanDerWaalsContact C-N 3.31Å; Q16-M18 PolarHBondContact O-N 3.33Å; Q16-S19 PolarHBondContact O-N 2.91Å; Q16-A20 PolarHBondContact O-N 3.45Å; Q16-R67 VanDerWaalsContact OE1-NH2 3.09Å
17A97.9Very high96.7Very high20 Ų2038.5 Ų38.517%0.16521%0.205CC..Hα-helixtrans-62.1-40.9176.300000111.5Q13 F14 A20 M21 V181 L185Q13-A17 VanDerWaalsContact O-CB 3.31Å; Q13-A17 WeakPolarHBondContact O-CB 3.16Å; Q13-A17 PolarHBondContact O-N 2.7Å; F14-A17 PolarHBondContact O-N 3.45Å; A17-A20 PolarHBondContact O-N 3.39Å; A17-M21 WeakPolarHBondContact O-CB 3.11Å; A17-M21 PolarHBondContact O-N 3.42Å; A17-V181 HydrophobicContact CB-CG1 3.89Å; A17-L185 HydrophobicContact CB-CD2 4.29Å
18M97.5Very high96.5Very high3 Ų340.3 Ų40.32%0.01521%0.209CC..Hα-helixtrans-62.7-44.6174.5-170.2172.1-76.500111.9F14 Q16 M21 Y22 F124 L185 F188 I222 L225F14-M18 HydrophobicContact CD1-CE 4.36Å; F14-M18 HydrophobicContact CE1-CE 3.38Å; F14-M18 HydrophobicContact CE1-SD 4.45Å; F14-M18 HydrophobicContact CE2-CE 4.02Å; F14-M18 HydrophobicContact CZ-CE 3.17Å; F14-M18 WeakPolarHBondContact O-CB 3.3Å; F14-M18 PolarHBondContact O-N 3.13Å; Q16-M18 VanDerWaalsContact C-N 3.31Å; Q16-M18 PolarHBondContact O-N 3.33Å; M18-M21 PolarHBondContact O-N 3.31Å; M18-Y22 VanDerWaalsContact O-CB 3.31Å; M18-Y22 WeakPolarHBondContact O-CB 3.41Å; M18-Y22 PolarHBondContact O-N 2.94Å; M18-F124 HydrophobicContact CE-CZ 4.49Å; M18-F124 HydrophobicContact SD-CE1 4.43Å; M18-F124 HydrophobicContact SD-CE2 4.4Å; M18-F124 HydrophobicContact SD-CZ 3.6Å; M18-F124 VanDerWaalsContact SD-CZ 3.6Å; M18-L185 HydrophobicContact CB-CD1 4.28Å; M18-F188 HydrophobicContact CE-CB 4.3Å; M18-F188 HydrophobicContact CE-CD2 3.73Å; M18-F188 HydrophobicContact CE-CE2 4.26Å; M18-F188 HydrophobicContact CE-CG 3.98Å; M18-I222 HydrophobicContact CE-CD1 4.29Å; M18-I222 HydrophobicContact CG-CD1 3.27Å; M18-I222 HydrophobicContact CG-CG1 4.38Å; M18-I222 HydrophobicContact SD-CD1 3.7Å; M18-I222 HydrophobicContact SD-CG1 4.23Å; M18-L225 HydrophobicContact CG-CD1 4.36Å; M18-L225 HydrophobicContact CG-CD2 4.45Å; M18-L225 HydrophobicContact SD-CD1 4.11Å
19S97.1Very high96.4Very high4 Ų439.2 Ų39.23%0.02820%0.203CC..Hα-helixtrans-61.9-43.4175.6-171.20000112.3S15 Q16 Y22 Q23 Y29 L225S15-S19 WeakPolarHBondContact O-CB 3.42Å; S15-S19 PolarHBondContact O-N 3.42Å; Q16-S19 PolarHBondContact O-N 2.91Å; S19-Y22 PolarHBondContact O-N 2.87Å; S19-Q23 VanDerWaalsContact O-CB 3.3Å; S19-Q23 WeakPolarHBondContact O-CB 3.49Å; S19-Q23 PolarHBondContact O-N 3.07Å; S19-Y29 WeakPolarHBondContact OG-CE1 3.46Å; S19-Y29 PolarHBondContact OG-OH 2.69Å; S19-L225 VanDerWaalsContact CA-CD2 3.49Å
20A97.5Very high96.3Very high52 Ų5236.5 Ų36.543%0.4319%0.191SC..Hα-helixtrans-65.6-43.3177.800000112Q16 A17 Q24Q16-A20 PolarHBondContact O-N 3.45Å; A17-A20 PolarHBondContact O-N 3.39Å; A20-Q24 PolarHBondContact O-N 2.95Å; A20-Q24 VanDerWaalsContact O-N 3.13Å
21M96.9Very high96.2Very high12 Ų1238.8 Ų38.86%0.05921%0.206CC..Hα-helixtrans-60-50.6174178.2178.578.300111.2A17 M18 Q23 Q24 E25 L185 F188 R189 I222A17-M21 WeakPolarHBondContact O-CB 3.11Å; A17-M21 PolarHBondContact O-N 3.42Å; M18-M21 PolarHBondContact O-N 3.31Å; M21-Q23 VanDerWaalsContact C-N 3.33Å; M21-Q23 PolarHBondContact O-N 3.36Å; M21-Q24 WeakPolarHBondContact O-CB 3.35Å; M21-Q24 PolarHBondContact O-N 2.86Å; M21-Q24 VanDerWaalsContact O-N 3.12Å; M21-E25 HydrophobicContact CG-CG 4.48Å; M21-E25 WeakPolarHBondContact O-CG 3.17Å; M21-E25 PolarHBondContact O-N 3.13Å; M21-L185 HydrophobicContact CB-CD1 4.17Å; M21-L185 HydrophobicContact CB-CD2 4.26Å; M21-L185 HydrophobicContact CE-CD1 3.56Å; M21-L185 HydrophobicContact CE-CG 4.13Å; M21-L185 HydrophobicContact SD-CD1 3.63Å; M21-L185 HydrophobicContact SD-CD2 4.09Å; M21-L185 HydrophobicContact SD-CG 3.56Å; M21-L185 VanDerWaalsContact SD-CG 3.56Å; M21-F188 HydrophobicContact CE-CB 4.22Å; M21-R189 HydrophobicContact SD-CB 3.87Å; M21-R189 HydrophobicContact SD-CG 4.04Å; M21-R189 PolarHBondContact SD-NH1 3.3Å; M21-R189 VanDerWaalsContact SD-NH1 3.38Å; M21-I222 HydrophobicContact CE-CD1 3.64Å; M21-I222 HydrophobicContact CE-CG1 4.43Å
22Y95.8Very high96.1Very high1 Ų138.9 Ų38.90%0.00421%0.206CC..Hα-helixtrans-65.5-35.9-177.3-172-109.5000112.2M18 S19 Q24 E25 V26 Y29 I222 L225 F288M18-Y22 VanDerWaalsContact O-CB 3.31Å; M18-Y22 WeakPolarHBondContact O-CB 3.41Å; M18-Y22 PolarHBondContact O-N 2.94Å; S19-Y22 PolarHBondContact O-N 2.87Å; Y22-Q24 VanDerWaalsContact C-N 3.32Å; Y22-Q24 PolarHBondContact O-N 3.48Å; Y22-E25 PolarHBondContact O-N 3.36Å; Y22-V26 HydrophobicContact CD2-CG2 4.26Å; Y22-V26 HydrophobicContact CE1-CB 4.43Å; Y22-V26 HydrophobicContact CE2-CB 4.45Å; Y22-V26 HydrophobicContact CE2-CG2 3.81Å; Y22-V26 PolarHBondContact O-N 3.34Å; Y22-Y29 AromaticContact CD1-CD1 3.66Å; Y22-Y29 HydrophobicContact CD1-CD1 3.66Å; Y22-Y29 AromaticContact CD1-CD2 3.76Å; Y22-Y29 HydrophobicContact CD1-CD2 3.76Å; Y22-Y29 HydrophobicContact CD1-CE1 4.08Å; Y22-Y29 HydrophobicContact CD1-CE2 4.18Å; Y22-Y29 AromaticContact CD1-CG 3.47Å; Y22-Y29 HydrophobicContact CD1-CG 3.47Å; Y22-Y29 VanDerWaalsContact CD1-CG 3.47Å; Y22-Y29 HydrophobicContact CE1-CD1 4.32Å; Y22-Y29 AromaticContact CE1-CD2 3.71Å; Y22-Y29 HydrophobicContact CE1-CD2 3.71Å; Y22-Y29 HydrophobicContact CE1-CE2 4.4Å; Y22-Y29 AromaticContact CE1-CG 3.66Å; Y22-Y29 HydrophobicContact CE1-CG 3.66Å; Y22-I222 HydrophobicContact CD2-CB 4.12Å; Y22-I222 HydrophobicContact CD2-CD1 4.36Å; Y22-I222 HydrophobicContact CD2-CG2 3.89Å; Y22-I222 HydrophobicContact CE2-CB 4.38Å; Y22-I222 HydrophobicContact CE2-CG2 3.96Å; Y22-L225 HydrophobicContact CD1-CB 3.47Å; Y22-L225 VanDerWaalsContact CD1-CB 3.47Å; Y22-L225 HydrophobicContact CD1-CD2 4.2Å; Y22-L225 HydrophobicContact CD1-CG 4.49Å; Y22-L225 HydrophobicContact CE1-CB 3.73Å; Y22-L225 HydrophobicContact CG-CB 3.97Å; Y22-L225 HydrophobicContact CG-CD2 4.37Å; Y22-F288 PolarHBondContact OH-O 3.35Å
23Q95.5Very high96.1Very high83 Ų8337.5 Ų37.539%0.38820%0.201SC..Hα-helixtrans-62.9-37.6172.5-174.8174.32.400112.6S19 M21 V26 Y29S19-Q23 VanDerWaalsContact O-CB 3.3Å; S19-Q23 WeakPolarHBondContact O-CB 3.49Å; S19-Q23 PolarHBondContact O-N 3.07Å; M21-Q23 VanDerWaalsContact C-N 3.33Å; M21-Q23 PolarHBondContact O-N 3.36Å; Q23-V26 CarbonylContact O-C 3.59Å; Q23-Y29 HydrophobicContact CB-CD1 3.85Å; Q23-Y29 HydrophobicContact CB-CE1 4.26Å; Q23-Y29 HydrophobicContact CG-CD1 4.46Å
24Q95.5Very high96Very high162 Ų16240.6 Ų40.676%0.75722%0.215SC*.Hα-helixtrans-70.6-34.9176.7-173.960.254.700112.2A20 M21 Y22A20-Q24 PolarHBondContact O-N 2.95Å; A20-Q24 VanDerWaalsContact O-N 3.13Å; M21-Q24 WeakPolarHBondContact O-CB 3.35Å; M21-Q24 PolarHBondContact O-N 2.86Å; M21-Q24 VanDerWaalsContact O-N 3.12Å; Y22-Q24 VanDerWaalsContact C-N 3.32Å; Y22-Q24 PolarHBondContact O-N 3.48Å
25E93.5Very high95.9Very high33 Ų3340.8 Ų40.815%0.15422%0.216CC..Hα-helixtrans-75.5-38.4176.1-67.4177.7178.100112.5M21 Y22 W190 L270 R287M21-E25 HydrophobicContact CG-CG 4.48Å; M21-E25 WeakPolarHBondContact O-CG 3.17Å; M21-E25 PolarHBondContact O-N 3.13Å; Y22-E25 PolarHBondContact O-N 3.36Å; E25-W190 HydrophobicContact CG-CB 4.4Å; E25-W190 PolarHBondContact OE1-N 2.85Å; E25-W190 WeakPolarHBondContact OE2-CB 3.43Å; E25-L270 WeakPolarHBondContact O-CD2 2.96Å; E25-R287 IonicContact OE2-CZ 3.28Å; E25-R287 IonicContact OE2-NH1 3Å; E25-R287 PolarHBondContact OE2-NH1 3.41Å; E25-R287 IonicContact OE2-NH2 2.85Å; E25-R287 PolarHBondContact OE2-NH2 2.91Å; E25-R287 VanDerWaalsContact OE2-NH2 3.14Å
26V92.9Very high95.9Very high0 Ų041.1 Ų41.10%022%0.218CC..  trans-13085.8-173.6-172.70000109.7Y22 Q23 Q28 Y29 A269 L270Y22-V26 HydrophobicContact CD2-CG2 4.26Å; Y22-V26 HydrophobicContact CE1-CB 4.43Å; Y22-V26 HydrophobicContact CE2-CB 4.45Å; Y22-V26 HydrophobicContact CE2-CG2 3.81Å; Y22-V26 PolarHBondContact O-N 3.34Å; Q23-V26 CarbonylContact O-C 3.59Å; V26-Q28 PolarHBondContact O-N 3.36Å; V26-Q28 VanDerWaalsContact O-N 3.12Å; V26-Y29 VanDerWaalsContact O-CB 3.28Å; V26-Y29 WeakPolarHBondContact O-CB 3.45Å; V26-Y29 PolarHBondContact O-N 2.8Å; V26-A269 HydrophobicContact CG1-CB 3.56Å; V26-L270 HydrophobicContact CG1-CB 4.3Å
27P93.7Very high95.9Very high76 Ų7638.7 Ų38.749%0.49422%0.216SC..Hα-helixtrans-55.3-33.9-174.7-29.737000115Y29 G30 T31P27-Y29 PolarHBondContact O-N 3.34Å; P27-Y29 VanDerWaalsContact O-N 3.17Å; P27-G30 WeakPolarHBondContact O-CA 3.24Å; P27-G30 PolarHBondContact O-N 2.83Å; P27-T31 PolarHBondContact O-N 2.81Å
28Q93.1Very high95.8Very high70 Ų7042.7 Ų42.733%0.32723%0.234SC..Hα-helixtrans-57.6-26.8175.8-81.974.9-3.400113.2V26 G30 T31 L32 F267 A269V26-Q28 PolarHBondContact O-N 3.36Å; V26-Q28 VanDerWaalsContact O-N 3.12Å; Q28-G30 VanDerWaalsContact C-N 3.32Å; Q28-T31 PolarHBondContact O-N 3.02Å; Q28-L32 PolarHBondContact O-N 2.98Å; Q28-F267 HydrophobicContact CB-CE2 4.36Å; Q28-A269 HydrophobicContact CB-CB 4.43Å; Q28-A269 VanDerWaalsContact CD-O 3.24Å; Q28-A269 WeakPolarHBondContact CG-O 3.28Å; Q28-A269 PolarHBondContact OE1-O 2.85Å
29Y94.7Very high95.8Very high3 Ų342.7 Ų42.71%0.01223%0.234CC..Hα-helixtrans-65.8-36.3172.5170-102.8000111.6S19 Y22 Q23 V26 P27 L32 L33 R67 L225S19-Y29 WeakPolarHBondContact OG-CE1 3.46Å; S19-Y29 PolarHBondContact OG-OH 2.69Å; Y22-Y29 AromaticContact CD1-CD1 3.66Å; Y22-Y29 HydrophobicContact CD1-CD1 3.66Å; Y22-Y29 AromaticContact CD1-CD2 3.76Å; Y22-Y29 HydrophobicContact CD1-CD2 3.76Å; Y22-Y29 HydrophobicContact CD1-CE1 4.08Å; Y22-Y29 HydrophobicContact CD1-CE2 4.18Å; Y22-Y29 AromaticContact CD1-CG 3.47Å; Y22-Y29 HydrophobicContact CD1-CG 3.47Å; Y22-Y29 VanDerWaalsContact CD1-CG 3.47Å; Y22-Y29 HydrophobicContact CE1-CD1 4.32Å; Y22-Y29 AromaticContact CE1-CD2 3.71Å; Y22-Y29 HydrophobicContact CE1-CD2 3.71Å; Y22-Y29 HydrophobicContact CE1-CE2 4.4Å; Y22-Y29 AromaticContact CE1-CG 3.66Å; Y22-Y29 HydrophobicContact CE1-CG 3.66Å; Q23-Y29 HydrophobicContact CB-CD1 3.85Å; Q23-Y29 HydrophobicContact CB-CE1 4.26Å; Q23-Y29 HydrophobicContact CG-CD1 4.46Å; V26-Y29 VanDerWaalsContact O-CB 3.28Å; V26-Y29 WeakPolarHBondContact O-CB 3.45Å; V26-Y29 PolarHBondContact O-N 2.8Å; P27-Y29 PolarHBondContact O-N 3.34Å; P27-Y29 VanDerWaalsContact O-N 3.17Å; Y29-L32 WeakPolarHBondContact O-CB 3.34Å; Y29-L32 PolarHBondContact O-N 3.16Å; Y29-L33 HydrophobicContact CD1-CD1 4.13Å; Y29-L33 HydrophobicContact CD1-CG 4.45Å; Y29-L33 HydrophobicContact CE1-CD1 3.49Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.49Å; Y29-L33 HydrophobicContact CE1-CD2 4.49Å; Y29-L33 HydrophobicContact CE1-CG 4.02Å; Y29-L33 HydrophobicContact CE2-CD2 4.1Å; Y29-L33 HydrophobicContact CE2-CG 4.2Å; Y29-L33 WeakPolarHBondContact O-CG 3.24Å; Y29-L33 PolarHBondContact O-N 2.99Å; Y29-R67 WeakPolarHBondContact OH-CD 3.42Å; Y29-L225 WeakPolarHBondContact CD2-O 3.43Å; Y29-L225 HydrophobicContact CE1-CD2 4.23Å; Y29-L225 HydrophobicContact CE2-CB 4.09Å; Y29-L225 HydrophobicContact CE2-CD2 4.32Å; Y29-L225 HydrophobicContact CE2-CG 4.31Å; Y29-L225 WeakPolarHBondContact CE2-O 3.39Å; Y29-L225 WeakPolarHBondContact OH-CD2 3.44Å
30G95.5Very high95.8Very high5 Ų542.8 Ų42.85%0.05224%0.235CC..Hα-helixtrans-61.4-45.5172.900000112.2P27 Q28 L32 L33 E34P27-G30 WeakPolarHBondContact O-CA 3.24Å; P27-G30 PolarHBondContact O-N 2.83Å; Q28-G30 VanDerWaalsContact C-N 3.32Å; G30-L32 VanDerWaalsContact C-N 3.3Å; G30-L32 PolarHBondContact O-N 3.18Å; G30-L33 PolarHBondContact O-N 3.01Å; G30-E34 PolarHBondContact O-N 2.65Å
31T96Very high95.8Very high50 Ų5044.8 Ų44.831%0.30724%0.238SC..Hα-helixtrans-60.2-39.1173.9-53.40000112.1P27 Q28 E34 L35 C242 I244P27-T31 PolarHBondContact O-N 2.81Å; Q28-T31 PolarHBondContact O-N 3.02Å; T31-E34 PolarHBondContact O-N 2.75Å; T31-L35 PolarHBondContact O-N 3.01Å; T31-L35 VanDerWaalsContact O-N 3.1Å; T31-C242 HydrophobicContact CG2-CB 3.81Å; T31-I244 HydrophobicContact CG2-CD1 4.33Å
32L96.1Very high95.8Very high1 Ų146 Ų461%0.00525%0.25CS..Hα-helixtrans-62.8-43.1174.6178.965.9000112Q28 Y29 G30 E34 L35 V36 P227 V235 M239 I244 F267 E290 I291Q28-L32 PolarHBondContact O-N 2.98Å; Y29-L32 WeakPolarHBondContact O-CB 3.34Å; Y29-L32 PolarHBondContact O-N 3.16Å; G30-L32 VanDerWaalsContact C-N 3.3Å; G30-L32 PolarHBondContact O-N 3.18Å; L32-E34 VanDerWaalsContact C-N 3.35Å; L32-E34 PolarHBondContact O-N 2.99Å; L32-L35 PolarHBondContact O-N 3.34Å; L32-V36 HydrophobicContact CD1-CG2 4.08Å; L32-V36 HydrophobicContact CG-CG2 4.25Å; L32-V36 WeakPolarHBondContact O-CB 3.5Å; L32-V36 WeakPolarHBondContact O-CG2 3.33Å; L32-V36 PolarHBondContact O-N 3.39Å; L32-P227 HydrophobicContact CD2-CG 3.68Å; L32-P227 HydrophobicContact CG-CG 3.98Å; L32-V235 HydrophobicContact CD1-CG1 4.3Å; L32-M239 HydrophobicContact CD1-CE 3.44Å; L32-M239 VanDerWaalsContact CD1-CE 3.44Å; L32-I244 HydrophobicContact CB-CD1 4.16Å; L32-F267 HydrophobicContact CB-CZ 4.46Å; L32-F267 HydrophobicContact CD2-CE1 3.77Å; L32-F267 HydrophobicContact CD2-CZ 3.91Å; L32-E290 WeakPolarHBondContact CD2-O 3.31Å; L32-I291 HydrophobicContact CD1-CB 4.46Å; L32-I291 HydrophobicContact CD1-CD1 4.37Å
33L96.4Very high95.8Very high44 Ų4447.2 Ų47.223%0.2326%0.257CS..Hα-helixtrans-61.3-42.6179.1-71.4179.4000112.2Y29 G30 V36 A37 P227Y29-L33 HydrophobicContact CD1-CD1 4.13Å; Y29-L33 HydrophobicContact CD1-CG 4.45Å; Y29-L33 HydrophobicContact CE1-CD1 3.49Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.49Å; Y29-L33 HydrophobicContact CE1-CD2 4.49Å; Y29-L33 HydrophobicContact CE1-CG 4.02Å; Y29-L33 HydrophobicContact CE2-CD2 4.1Å; Y29-L33 HydrophobicContact CE2-CG 4.2Å; Y29-L33 WeakPolarHBondContact O-CG 3.24Å; Y29-L33 PolarHBondContact O-N 2.99Å; G30-L33 PolarHBondContact O-N 3.01Å; L33-V36 PolarHBondContact O-N 3.21Å; L33-A37 WeakPolarHBondContact O-CB 3.2Å; L33-A37 PolarHBondContact O-N 3.27Å; L33-P227 HydrophobicContact CD2-CB 3.73Å; L33-P227 HydrophobicContact CD2-CG 4.05Å
34E96.5Very high95.8Very high130 Ų13044.3 Ų44.361%0.60724%0.244SC*.Hα-helixtrans-61.6-48.9175.6-69.8175.3-179.800111G30 T31 L32 V36 A37 D38G30-E34 PolarHBondContact O-N 2.65Å; T31-E34 PolarHBondContact O-N 2.75Å; L32-E34 VanDerWaalsContact C-N 3.35Å; L32-E34 PolarHBondContact O-N 2.99Å; E34-V36 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 3.09Å; E34-A37 WeakPolarHBondContact O-CB 3.37Å; E34-A37 PolarHBondContact O-N 3.39Å; E34-D38 PolarHBondContact O-N 2.97Å
35L97.1Very high95.8Very high4 Ų443 Ų432%0.02124%0.238CC..Hα-helixtrans-58.3-43.4177173.559.6000112.3T31 L32 A37 D38 V39 V235 M238 M239T31-L35 PolarHBondContact O-N 3.01Å; T31-L35 VanDerWaalsContact O-N 3.1Å; L32-L35 PolarHBondContact O-N 3.34Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-D38 PolarHBondContact O-N 3.48Å; L35-V39 HydrophobicContact CD1-CG2 4.04Å; L35-V39 WeakPolarHBondContact O-CG2 3.29Å; L35-V39 PolarHBondContact O-N 2.9Å; L35-V235 HydrophobicContact CD2-CG1 3.93Å; L35-V235 HydrophobicContact CG-CG1 4.33Å; L35-M238 HydrophobicContact CD1-CB 3.52Å; L35-M238 HydrophobicContact CD1-CE 3.67Å; L35-M238 HydrophobicContact CD1-CG 4.29Å; L35-M238 HydrophobicContact CD1-SD 3.86Å; L35-M238 HydrophobicContact CD2-CB 4.17Å; L35-M238 HydrophobicContact CG-CB 4.47Å; L35-M239 HydrophobicContact CD2-CG 3.86Å
36V97.2Very high96Very high8 Ų848 Ų485%0.04827%0.266CS..Hα-helixtrans-65-39.7178.7169.20000111.4L32 L33 E34 V39 N40 P227 R228 V235 I291L32-V36 HydrophobicContact CD1-CG2 4.08Å; L32-V36 HydrophobicContact CG-CG2 4.25Å; L32-V36 WeakPolarHBondContact O-CB 3.5Å; L32-V36 WeakPolarHBondContact O-CG2 3.33Å; L32-V36 PolarHBondContact O-N 3.39Å; L33-V36 PolarHBondContact O-N 3.21Å; E34-V36 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 3.09Å; V36-V39 PolarHBondContact O-N 3.05Å; V36-N40 WeakPolarHBondContact CG1-ND2 3.41Å; V36-N40 VanDerWaalsContact O-CB 3.27Å; V36-N40 WeakPolarHBondContact O-CB 3.48Å; V36-N40 PolarHBondContact O-N 3.49Å; V36-N40 PolarHBondContact O-ND2 3.12Å; V36-N40 PolarHBondContact O-OD1 2.93Å; V36-P227 HydrophobicContact CG2-CG 4.18Å; V36-R228 VanDerWaalsContact CG1-O 3.25Å; V36-R228 WeakPolarHBondContact CG1-O 3.49Å; V36-V235 HydrophobicContact CG2-CG2 4.4Å; V36-I291 HydrophobicContact CG2-CD1 3.37Å; V36-I291 HydrophobicContact CG2-CG1 4.48Å
37A96.5Very high96Very high52 Ų5251.1 Ų51.143%0.4328%0.282SS..Hα-helixtrans-61.7-46.4176.200000111.4L33 E34 L35 N40 L41L33-A37 WeakPolarHBondContact O-CB 3.2Å; L33-A37 PolarHBondContact O-N 3.27Å; E34-A37 WeakPolarHBondContact O-CB 3.37Å; E34-A37 PolarHBondContact O-N 3.39Å; L35-A37 VanDerWaalsContact C-N 3.35Å; A37-N40 PolarHBondContact O-N 3.23Å; A37-L41 WeakPolarHBondContact O-CB 3.49Å; A37-L41 PolarHBondContact O-N 3.2Å
38D97.1Very high96Very high103 Ų10351.9 Ų51.955%0.55129%0.287SS*.Hα-helixtrans-62.6-45178.1-73.7-16.6000112.1E34 L35 L41 A42E34-D38 PolarHBondContact O-N 2.97Å; L35-D38 PolarHBondContact O-N 3.48Å; D38-L41 PolarHBondContact O-N 3.28Å; D38-A42 WeakPolarHBondContact O-CB 2.94Å; D38-A42 PolarHBondContact O-N 3.19Å
39V97.6Very high95.9Very high3 Ų355.4 Ų55.42%0.01830%0.304CS..Hα-helixtrans-65.5-44.5178.1172.30000111.3L35 V36 L41 A42 V43 D231 R234 V235 M238L35-V39 HydrophobicContact CD1-CG2 4.04Å; L35-V39 WeakPolarHBondContact O-CG2 3.29Å; L35-V39 PolarHBondContact O-N 2.9Å; V36-V39 PolarHBondContact O-N 3.05Å; V39-L41 VanDerWaalsContact C-N 3.34Å; V39-L41 PolarHBondContact O-N 3.11Å; V39-A42 PolarHBondContact O-N 2.69Å; V39-V43 HydrophobicContact CG1-CG2 4.28Å; V39-V43 VanDerWaalsContact O-CG2 3.29Å; V39-V43 WeakPolarHBondContact O-CG2 3.32Å; V39-V43 PolarHBondContact O-N 3.14Å; V39-D231 HydrophobicContact CG1-CB 4.16Å; V39-R234 HydrophobicContact CG1-CB 3.97Å; V39-R234 HydrophobicContact CG1-CG 3.92Å; V39-R234 HydrophobicContact CG2-CG 3.88Å; V39-V235 HydrophobicContact CB-CG2 3.92Å; V39-V235 HydrophobicContact CG1-CG2 3.9Å; V39-V235 HydrophobicContact CG2-CG2 3.87Å; V39-M238 HydrophobicContact CG2-SD 3.87Å
40N97.4Very high95.8Very high6 Ų657.7 Ų57.73%0.03232%0.316CS..Hα-helixtrans-62.6-43.1179.1-72.3-10.4000111.3V36 A37 V43 L44 L63 R228 T229 L230V36-N40 WeakPolarHBondContact CG1-ND2 3.41Å; V36-N40 VanDerWaalsContact O-CB 3.27Å; V36-N40 WeakPolarHBondContact O-CB 3.48Å; V36-N40 PolarHBondContact O-N 3.49Å; V36-N40 PolarHBondContact O-ND2 3.12Å; V36-N40 PolarHBondContact O-OD1 2.93Å; A37-N40 PolarHBondContact O-N 3.23Å; N40-V43 PolarHBondContact O-N 2.81Å; N40-L44 VanDerWaalsContact O-CG 3.27Å; N40-L44 WeakPolarHBondContact O-CG 3.34Å; N40-L44 PolarHBondContact O-N 3.06Å; N40-L44 VanDerWaalsContact O-N 3.08Å; N40-L63 HydrophobicContact CB-CD2 4.29Å; N40-R228 PolarHBondContact ND2-O 2.79Å; N40-T229 VanDerWaalsContact OD1-CA 3.3Å; N40-T229 WeakPolarHBondContact OD1-CA 3.37Å; N40-T229 PolarHBondContact OD1-OG1 3Å; N40-L230 HydrophobicContact CB-CD1 4.38Å; N40-L230 PolarHBondContact OD1-N 3.15Å
41L96.1Very high95.6Very high94 Ų9461.1 Ų61.149%0.49233%0.331SS..Hα-helixtrans-59.5-50.1174.9179.160.8000110.9A37 D38 V39 V43 L44 E45A37-L41 WeakPolarHBondContact O-CB 3.49Å; A37-L41 PolarHBondContact O-N 3.2Å; D38-L41 PolarHBondContact O-N 3.28Å; V39-L41 VanDerWaalsContact C-N 3.34Å; V39-L41 PolarHBondContact O-N 3.11Å; L41-V43 VanDerWaalsContact C-N 3.32Å; L41-V43 PolarHBondContact O-N 3Å; L41-L44 PolarHBondContact O-N 3.09Å; L41-L44 VanDerWaalsContact O-N 3.16Å; L41-E45 HydrophobicContact CD1-CG 4.14Å; L41-E45 HydrophobicContact CG-CG 4.43Å; L41-E45 WeakPolarHBondContact O-CG 2.98Å; L41-E45 PolarHBondContact O-N 3.02Å
42A97.2Very high95.4Very high39 Ų3964.5 Ų64.532%0.32234%0.343SS..Hα-helixtrans-60.8-38.6179.400000112.7D38 V39 N46D38-A42 WeakPolarHBondContact O-CB 2.94Å; D38-A42 PolarHBondContact O-N 3.19Å; V39-A42 PolarHBondContact O-N 2.69Å; A42-N46 VanDerWaalsContact O-CB 3.3Å; A42-N46 WeakPolarHBondContact O-CB 3.27Å; A42-N46 VanDerWaalsContact O-CG 3.31Å; A42-N46 PolarHBondContact O-N 3.12Å; A42-N46 PolarHBondContact O-ND2 3.47Å
43V96.5Very high95Very high26 Ų2668.9 Ų68.916%0.15836%0.362CS..Hα-helixtrans-63.5-44175.9168.90000110.9V39 N40 L41 N46 N47 L50 L230 D231V39-V43 HydrophobicContact CG1-CG2 4.28Å; V39-V43 VanDerWaalsContact O-CG2 3.29Å; V39-V43 WeakPolarHBondContact O-CG2 3.32Å; V39-V43 PolarHBondContact O-N 3.14Å; N40-V43 PolarHBondContact O-N 2.81Å; L41-V43 VanDerWaalsContact C-N 3.32Å; L41-V43 PolarHBondContact O-N 3Å; V43-N46 PolarHBondContact O-N 3.27Å; V43-N47 VanDerWaalsContact O-CB 3.29Å; V43-N47 WeakPolarHBondContact O-CB 3.16Å; V43-N47 PolarHBondContact O-N 3.43Å; V43-L50 HydrophobicContact CG1-CD2 3.75Å; V43-L230 HydrophobicContact CB-CB 4.21Å; V43-L230 HydrophobicContact CB-CD1 4.29Å; V43-L230 HydrophobicContact CG1-CB 3.88Å; V43-L230 HydrophobicContact CG1-CD1 3.98Å; V43-L230 HydrophobicContact CG2-CB 4.36Å; V43-D231 HydrophobicContact CG2-CB 3.72Å
44L95.4Very high94.7Very high22 Ų2267.2 Ų67.212%0.11535%0.353CS..Hα-helixtrans-68.9-39.1-179.7-68.3171.7000112.5N40 L41 N47 H51 M54 L60 L230N40-L44 VanDerWaalsContact O-CG 3.27Å; N40-L44 WeakPolarHBondContact O-CG 3.34Å; N40-L44 PolarHBondContact O-N 3.06Å; N40-L44 VanDerWaalsContact O-N 3.08Å; L41-L44 PolarHBondContact O-N 3.09Å; L41-L44 VanDerWaalsContact O-N 3.16Å; L44-N47 CarbonylContact O-C 3.26Å; L44-N47 PolarHBondContact O-N 3.45Å; L44-H51 HydrophobicContact CD2-CB 4.08Å; L44-M54 HydrophobicContact CD2-SD 4.02Å; L44-L60 HydrophobicContact CD1-CD1 3.61Å; L44-L60 HydrophobicContact CD2-CD1 4.32Å; L44-L230 HydrophobicContact CD1-CD1 4.31Å; L44-L230 HydrophobicContact CD2-CD1 3.83Å; L44-L230 HydrophobicContact CG-CD1 3.79Å
45E95.9Very high94.5Very high135 Ų13564.4 Ų64.463%0.63135%0.345SS*.Hα-helixtrans-65.7-40175.6-72.8-178.3159.800112.3L41L41-E45 HydrophobicContact CD1-CG 4.14Å; L41-E45 HydrophobicContact CG-CG 4.43Å; L41-E45 WeakPolarHBondContact O-CG 2.98Å; L41-E45 PolarHBondContact O-N 3.02Å
46N96Very high93.9Very high136 Ų13668.4 Ų68.473%0.72737%0.366SS*.Hα-helixtrans-83.2-11.6-179.3-68.8-53.2000113.6A42 V43A42-N46 VanDerWaalsContact O-CB 3.3Å; A42-N46 WeakPolarHBondContact O-CB 3.27Å; A42-N46 VanDerWaalsContact O-CG 3.31Å; A42-N46 PolarHBondContact O-N 3.12Å; A42-N46 PolarHBondContact O-ND2 3.47Å; V43-N46 PolarHBondContact O-N 3.27Å
47N94.1Very high93.3Very high66 Ų6668.8 Ų68.835%0.35337%0.37SS..  trans-132.677.6-179.9-166.7-17.7000111.7V43 L44 Q49 L50 H51V43-N47 VanDerWaalsContact O-CB 3.29Å; V43-N47 WeakPolarHBondContact O-CB 3.16Å; V43-N47 PolarHBondContact O-N 3.43Å; L44-N47 CarbonylContact O-C 3.26Å; L44-N47 PolarHBondContact O-N 3.45Å; N47-Q49 PolarHBondContact O-N 3.05Å; N47-L50 HydrophobicContact CB-CB 3.97Å; N47-L50 VanDerWaalsContact CG-CB 3.44Å; N47-L50 WeakPolarHBondContact O-CB 3.39Å; N47-L50 PolarHBondContact O-N 3.32Å; N47-L50 VanDerWaalsContact O-N 3.07Å; N47-L50 PolarHBondContact OD1-N 3.39Å; N47-L50 VanDerWaalsContact OD1-N 3.07Å; N47-H51 PolarHBondContact O-N 2.78Å; N47-H51 VanDerWaalsContact O-N 3.08Å
48P93.8Very high92.9Very high92 Ų9271 Ų7160%0.59738%0.375SS*.Hα-helixtrans-61.4-28.1-177.923.2-34.1000113.4H51 E52P48-H51 PolarHBondContact O-N 2.57Å; P48-E52 WeakPolarHBondContact O-CB 3.49Å; P48-E52 PolarHBondContact O-N 3.38Å
49Q91Very high92.4Very high145 Ų14567.4 Ų67.468%0.67835%0.354SS*.Hα-helixtrans-68-40.8175.9-65.5179.16.800111.6N47 K53N47-Q49 PolarHBondContact O-N 3.05Å; Q49-K53 WeakPolarHBondContact O-CG 3.22Å; Q49-K53 PolarHBondContact O-N 2.87Å
50L91.7Very high92.1Very high50 Ų5069.3 Ų69.326%0.26236%0.364SS..Hα-helixtrans-65-44.2173.9178.162.6000110.9V43 N47 E52 K53 M54V43-L50 HydrophobicContact CG1-CD2 3.75Å; N47-L50 HydrophobicContact CB-CB 3.97Å; N47-L50 VanDerWaalsContact CG-CB 3.44Å; N47-L50 WeakPolarHBondContact O-CB 3.39Å; N47-L50 PolarHBondContact O-N 3.32Å; N47-L50 VanDerWaalsContact O-N 3.07Å; N47-L50 PolarHBondContact OD1-N 3.39Å; N47-L50 VanDerWaalsContact OD1-N 3.07Å; L50-E52 PolarHBondContact O-N 3.19Å; L50-K53 WeakPolarHBondContact O-CB 3.4Å; L50-K53 PolarHBondContact O-N 3.2Å; L50-M54 HydrophobicContact CD1-CG 4.18Å; L50-M54 HydrophobicContact CD1-SD 4.36Å; L50-M54 HydrophobicContact CG-CG 4.49Å; L50-M54 HydrophobicContact CG-SD 4.35Å; L50-M54 WeakPolarHBondContact O-CG 3.49Å; L50-M54 PolarHBondContact O-N 3.27Å
51H92.5Very high91.6Very high77 Ų7772.1 Ų72.136%0.35639%0.388SS..Hα-helixtrans-56.8-49176.2-179.4-84.8000111.4L44 N47 P48 K53 M54 V55L44-H51 HydrophobicContact CD2-CB 4.08Å; N47-H51 PolarHBondContact O-N 2.78Å; N47-H51 VanDerWaalsContact O-N 3.08Å; P48-H51 PolarHBondContact O-N 2.57Å; H51-K53 PolarHBondContact O-N 2.88Å; H51-M54 PolarHBondContact O-N 3.19Å; H51-V55 WeakPolarHBondContact O-CG2 3.25Å; H51-V55 PolarHBondContact O-N 3.34Å
52E90.3Very high91.4Very high122 Ų12267.9 Ų67.957%0.5737%0.366SS*.Hα-helixtrans-60.2-42.8176-177.1177.8-168.900112.4P48 L50 M54 N56P48-E52 WeakPolarHBondContact O-CB 3.49Å; P48-E52 PolarHBondContact O-N 3.38Å; L50-E52 PolarHBondContact O-N 3.19Å; E52-M54 PolarHBondContact O-N 2.85Å; E52-N56 WeakPolarHBondContact CG-ND2 3.4Å; E52-N56 VanDerWaalsContact O-CB 3.31Å; E52-N56 WeakPolarHBondContact O-CB 3.13Å; E52-N56 VanDerWaalsContact O-CG 3.24Å; E52-N56 PolarHBondContact O-N 3.36Å; E52-N56 PolarHBondContact O-ND2 3.04Å
53K88.2Confident91.2Very high93 Ų9366.3 Ų66.340%0.40435%0.352SS..Hα-helixtrans-58.1-46.3175.8-80.2-177174-169.10111.8Q49 L50 H51 A57 E337 Q381Q49-K53 WeakPolarHBondContact O-CG 3.22Å; Q49-K53 PolarHBondContact O-N 2.87Å; L50-K53 WeakPolarHBondContact O-CB 3.4Å; L50-K53 PolarHBondContact O-N 3.2Å; H51-K53 PolarHBondContact O-N 2.88Å; K53-A57 VanDerWaalsContact O-CB 3.28Å; K53-A57 WeakPolarHBondContact O-CB 3.27Å; K53-A57 PolarHBondContact O-N 3.4Å; K53-E337 IonicContact NZ-OE1 3.91Å; K53-E337 PolarHBondContact NZ-OE1 2.71Å; K53-E337 IonicContact NZ-OE2 3.58Å; K53-E337 PolarHBondContact NZ-OE2 2.92Å; K53-Q381 PolarHBondContact O-NE2 3.09Å
54M91.4Very high90.8Very high8 Ų870.9 Ų70.94%0.03938%0.375CS..Hα-helixtrans-70.5-40.9-178-69.2-169.874.300112.8L44 L50 H51 E52 A57 D58 E59 L60 L63 L230L44-M54 HydrophobicContact CD2-SD 4.02Å; L50-M54 HydrophobicContact CD1-CG 4.18Å; L50-M54 HydrophobicContact CD1-SD 4.36Å; L50-M54 HydrophobicContact CG-CG 4.49Å; L50-M54 HydrophobicContact CG-SD 4.35Å; L50-M54 WeakPolarHBondContact O-CG 3.49Å; L50-M54 PolarHBondContact O-N 3.27Å; H51-M54 PolarHBondContact O-N 3.19Å; E52-M54 PolarHBondContact O-N 2.85Å; M54-A57 PolarHBondContact O-N 3.09Å; M54-D58 PolarHBondContact O-N 2.99Å; M54-E59 HydrophobicContact CE-CB 4.23Å; M54-E59 PolarHBondContact O-N 3.31Å; M54-L60 HydrophobicContact CB-CB 4.36Å; M54-L63 HydrophobicContact CE-CB 4.47Å; M54-L63 HydrophobicContact CE-CD2 4.13Å; M54-L230 HydrophobicContact CE-CD2 4.07Å; M54-L230 HydrophobicContact SD-CD1 4.2Å; M54-L230 HydrophobicContact SD-CD2 3.89Å
55V90.7Very high90.7Very high71 Ų7171.4 Ų71.443%0.4338%0.38SS..Hα-helixtrans-60.1-49.8173.9169.90000110.1H51 A57 D58 L60H51-V55 WeakPolarHBondContact O-CG2 3.25Å; H51-V55 PolarHBondContact O-N 3.34Å; V55-A57 PolarHBondContact O-N 2.67Å; V55-D58 PolarHBondContact O-N 3.49Å; V55-D58 VanDerWaalsContact O-N 3.16Å; V55-L60 HydrophobicContact CG2-CD2 3.67Å
56N85.7Confident90.8Very high89 Ų8965.1 Ų65.148%0.47635%0.35SS..Hα-helixtrans-62.8-34.5179.4-72.4-36000111E52 D58 R351E52-N56 WeakPolarHBondContact CG-ND2 3.4Å; E52-N56 VanDerWaalsContact O-CB 3.31Å; E52-N56 WeakPolarHBondContact O-CB 3.13Å; E52-N56 VanDerWaalsContact O-CG 3.24Å; E52-N56 PolarHBondContact O-N 3.36Å; E52-N56 PolarHBondContact O-ND2 3.04Å; N56-D58 VanDerWaalsContact C-N 3.28Å; N56-D58 PolarHBondContact O-N 3.26Å; N56-R351 VanDerWaalsContact CB-NH2 3.27Å; N56-R351 PolarHBondContact O-NH1 2.67Å; N56-R351 PolarHBondContact O-NH2 2.99Å
57A84.9Confident90.8Very high15 Ų1559.2 Ų59.212%0.12432%0.318CS..Hα-helixtrans-75.4-9.1179.700000114.8K53 M54 V55 E59K53-A57 VanDerWaalsContact O-CB 3.28Å; K53-A57 WeakPolarHBondContact O-CB 3.27Å; K53-A57 PolarHBondContact O-N 3.4Å; M54-A57 PolarHBondContact O-N 3.09Å; V55-A57 PolarHBondContact O-N 2.67Å; A57-E59 HydrophobicContact CB-CB 4.16Å; A57-E59 HydrophobicContact CB-CG 3.81Å; A57-E59 PolarHBondContact O-N 3.4Å
58D88.2Confident91Very high100 Ų10056.1 Ų56.154%0.53530%0.301SS..THydrogen-bonded Turntrans57.129.8-166.8-150.619.5000113M54 V55 N56M54-D58 PolarHBondContact O-N 2.99Å; V55-D58 PolarHBondContact O-N 3.49Å; V55-D58 VanDerWaalsContact O-N 3.16Å; N56-D58 VanDerWaalsContact C-N 3.28Å; N56-D58 PolarHBondContact O-N 3.26Å
59E86.8Confident91.1Very high26 Ų2651.8 Ų51.812%0.12127%0.273CS..  trans-96.1-13.9178.3-72.3-168.9152.900112.8M54 A57 R62 L63 T384M54-E59 HydrophobicContact CE-CB 4.23Å; M54-E59 PolarHBondContact O-N 3.31Å; A57-E59 HydrophobicContact CB-CB 4.16Å; A57-E59 HydrophobicContact CB-CG 3.81Å; A57-E59 PolarHBondContact O-N 3.4Å; E59-R62 WeakPolarHBondContact O-CG 3.29Å; E59-L63 PolarHBondContact O-N 3.43Å; E59-T384 PolarHBondContact OE1-OG1 2.82Å
60L89.5Confident91.3Very high44 Ų4445 Ų4523%0.2324%0.242CC..Hα-helixtrans-69.2-37.2179.5-16968.3000112L44 M54 V55 L63L44-L60 HydrophobicContact CD1-CD1 3.61Å; L44-L60 HydrophobicContact CD2-CD1 4.32Å; M54-L60 HydrophobicContact CB-CB 4.36Å; V55-L60 HydrophobicContact CG2-CD2 3.67Å; L60-L63 PolarHBondContact O-N 3.2Å
61A87.4Confident91.6Very high64 Ų6442.8 Ų42.853%0.52923%0.23SC..Hα-helixtrans-64.2-43.7-178.600000112.2
62R92.5Very high91.7Very high6 Ų639.7 Ų39.72%0.02322%0.215CC..Hα-helixtrans-68.1-31.2177.754.7179.4-73.3174.2-2.8114E59 N64 V65 E66 L119 A120 P123 E386E59-R62 WeakPolarHBondContact O-CG 3.29Å; R62-N64 PolarHBondContact O-N 3.21Å; R62-N64 VanDerWaalsContact O-N 3.12Å; R62-V65 CarbonylContact O-C 3.45Å; R62-V65 VanDerWaalsContact O-CG2 3.28Å; R62-V65 WeakPolarHBondContact O-CG2 3.24Å; R62-V65 PolarHBondContact O-N 3.08Å; R62-E66 IonicContact CZ-OE1 3.73Å; R62-E66 IonicContact CZ-OE2 3.75Å; R62-E66 IonicContact NE-OE1 3.84Å; R62-E66 IonicContact NE-OE2 2.76Å; R62-E66 PolarHBondContact NE-OE2 3.45Å; R62-E66 VanDerWaalsContact NH2-CD 3.28Å; R62-E66 IonicContact NH2-OE1 3.98Å; R62-E66 PolarHBondContact NH2-OE1 3.43Å; R62-E66 IonicContact NH2-OE2 3.64Å; R62-E66 PolarHBondContact NH2-OE2 2.9Å; R62-E66 WeakPolarHBondContact O-CB 3.24Å; R62-E66 PolarHBondContact O-N 2.87Å; R62-L119 PolarHBondContact NH1-O 3.47Å; R62-A120 WeakPolarHBondContact CB-O 3.48Å; R62-P123 HydrophobicContact CB-CG 4.2Å; R62-E386 IonicContact CZ-OE1 3.23Å; R62-E386 VanDerWaalsContact CZ-OE1 3.29Å; R62-E386 IonicContact CZ-OE2 2.77Å; R62-E386 IonicContact NH1-OE1 3.85Å; R62-E386 PolarHBondContact NH1-OE1 3.22Å; R62-E386 IonicContact NH1-OE2 3.68Å; R62-E386 VanDerWaalsContact NH2-CD 3.3Å; R62-E386 IonicContact NH2-OE1 3.3Å; R62-E386 PolarHBondContact NH2-OE1 3.21Å; R62-E386 IonicContact NH2-OE2 2.74Å; R62-E386 PolarHBondContact NH2-OE2 3.18Å
63L92.5Very high92.1Very high5 Ų533.9 Ų33.93%0.02619%0.188CC..Hα-helixtrans-52.5-40.5-171.6-179.664.8000113N40 M54 E59 L60 V65 R228 L230N40-L63 HydrophobicContact CB-CD2 4.29Å; M54-L63 HydrophobicContact CE-CB 4.47Å; M54-L63 HydrophobicContact CE-CD2 4.13Å; E59-L63 PolarHBondContact O-N 3.43Å; L60-L63 PolarHBondContact O-N 3.2Å; L63-V65 VanDerWaalsContact C-N 3.33Å; L63-V65 PolarHBondContact O-N 3.11Å; L63-R228 HydrophobicContact CD1-CB 4.35Å; L63-R228 HydrophobicContact CD1-CG 3.92Å; L63-L230 HydrophobicContact CD1-CD2 4.15Å; L63-L230 HydrophobicContact CD1-CG 4.34Å; L63-L230 HydrophobicContact CD2-CD1 3.82Å; L63-L230 HydrophobicContact CD2-CD2 4.14Å; L63-L230 HydrophobicContact CD2-CG 3.91Å
64N88.3Confident92.6Very high122 Ų12229.6 Ų29.665%0.65217%0.17SC*.THydrogen-bonded Turntrans-73.9-21.9-177-65.1-38.2000114.1R62R62-N64 PolarHBondContact O-N 3.21Å; R62-N64 VanDerWaalsContact O-N 3.12Å
65V93.2Very high92.9Very high34 Ų3430.4 Ų30.421%0.20618%0.176CC..THydrogen-bonded Turntrans-109.3-2.6-179.9-620000112.3R62 L63 R67R62-V65 CarbonylContact O-C 3.45Å; R62-V65 VanDerWaalsContact O-CG2 3.28Å; R62-V65 WeakPolarHBondContact O-CG2 3.24Å; R62-V65 PolarHBondContact O-N 3.08Å; L63-V65 VanDerWaalsContact C-N 3.33Å; L63-V65 PolarHBondContact O-N 3.11Å; V65-R67 PolarHBondContact O-N 3.38Å
66E97.5Very high93.3Very high2 Ų228.7 Ų28.71%0.00917%0.169CC..  trans-73.5114.8-172.1-177.4154.8-173.200111.4R62 P123 R125 R228 R294R62-E66 IonicContact CZ-OE1 3.73Å; R62-E66 IonicContact CZ-OE2 3.75Å; R62-E66 IonicContact NE-OE1 3.84Å; R62-E66 IonicContact NE-OE2 2.76Å; R62-E66 PolarHBondContact NE-OE2 3.45Å; R62-E66 VanDerWaalsContact NH2-CD 3.28Å; R62-E66 IonicContact NH2-OE1 3.98Å; R62-E66 PolarHBondContact NH2-OE1 3.43Å; R62-E66 IonicContact NH2-OE2 3.64Å; R62-E66 PolarHBondContact NH2-OE2 2.9Å; R62-E66 WeakPolarHBondContact O-CB 3.24Å; R62-E66 PolarHBondContact O-N 2.87Å; E66-P123 HydrophobicContact CB-CG 3.93Å; E66-P123 HydrophobicContact CG-CG 3.59Å; E66-R125 IonicContact OE1-CZ 3Å; E66-R125 IonicContact OE1-NH1 3.8Å; E66-R125 PolarHBondContact OE1-NH1 3Å; E66-R125 IonicContact OE1-NH2 3.21Å; E66-R125 PolarHBondContact OE1-NH2 2.89Å; E66-R228 HydrophobicContact CB-CB 4.08Å; E66-R228 HydrophobicContact CG-CB 3.83Å; E66-R228 HydrophobicContact CG-CG 4.5Å; E66-R228 PolarHBondContact O-N 3.46Å; E66-R228 IonicContact OE1-NH1 3.45Å; E66-R228 WeakPolarHBondContact OE2-CD 3.33Å; E66-R228 IonicContact OE2-CZ 3.53Å; E66-R228 IonicContact OE2-NE 3.93Å; E66-R228 IonicContact OE2-NH1 3.76Å; E66-R228 PolarHBondContact OE2-NH1 3.3Å; E66-R294 WeakPolarHBondContact OE1-CD 3.37Å
67R97.4Very high93.9Very high12 Ų1231 Ų315%0.04518%0.177CC..EExtended strand (participates in β ladder)trans-140.2160.2-179.5-68.3175.4-74.6-94.18.7111.5S15 Q16 Y29 V65 F124 R125 T226S15-R67 PolarHBondContact OG-NE 3.23Å; S15-R67 PolarHBondContact OG-NH2 3.19Å; S15-R67 VanDerWaalsContact OG-NH2 3.14Å; Q16-R67 VanDerWaalsContact OE1-NH2 3.09Å; Y29-R67 WeakPolarHBondContact OH-CD 3.42Å; V65-R67 PolarHBondContact O-N 3.38Å; R67-F124 HydrophobicContact CB-CD2 4.17Å; R67-F124 HydrophobicContact CB-CE2 4.39Å; R67-R125 PolarHBondContact O-N 3.01Å; R67-R125 PolarHBondContact O-NH2 3.08Å; R67-T226 CarbonylContact C-O 3.59Å; R67-T226 WeakPolarHBondContact CA-O 3.41Å
68H97.9Very high94.5Very high1 Ų130.7 Ų30.71%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-130.6147.4157.876.8-111.7000110.7R125 H224 L225 T226 E290 E292 F388H68-R125 CarbonylContact C-O 3.56Å; H68-R125 WeakPolarHBondContact CA-O 3.4Å; H68-R125 HydrophobicContact CB-CB 4.03Å; H68-H224 AromaticContact NE2-CD2 3.87Å; H68-H224 AromaticContact NE2-NE2 3.66Å; H68-L225 CarbonylContact O-C 3.52Å; H68-L225 WeakPolarHBondContact O-CA 3.11Å; H68-T226 WeakPolarHBondContact CE1-CB 3.48Å; H68-T226 WeakPolarHBondContact CE1-CG2 3.33Å; H68-T226 PolarHBondContact CE1-OG1 3.33Å; H68-T226 VanDerWaalsContact CE1-OG1 3.26Å; H68-T226 PolarHBondContact N-O 3.33Å; H68-T226 WeakPolarHBondContact ND1-CB 3.32Å; H68-T226 WeakPolarHBondContact NE2-CB 3.21Å; H68-T226 PolarHBondContact NE2-OG1 3.23Å; H68-T226 PolarHBondContact O-N 2.82Å; H68-E290 IonicContact CE1-OE1 3.81Å; H68-E290 IonicContact NE2-OE1 3.53Å; H68-E292 IonicContact CE1-OE1 3.93Å; H68-E292 IonicContact CE1-OE2 3.54Å; H68-E292 PolarHBondContact CE1-OE2 3.38Å; H68-E292 IonicContact CG-OE1 3.16Å; H68-E292 IonicContact ND1-OE1 3.29Å; H68-E292 PolarHBondContact ND1-OE1 3.34Å; H68-E292 IonicContact ND1-OE2 3.3Å; H68-E292 PolarHBondContact ND1-OE2 2.91Å; H68-F388 HydrophobicContact CB-CE1 4.26Å; H68-F388 HydrophobicContact CB-CZ 4Å; H68-F388 AromaticContact CD2-CE1 3.66Å; H68-F388 AromaticContact CE1-CE1 3.9Å; H68-F388 AromaticContact CG-CE1 3.74Å; H68-F388 AromaticContact CG-CZ 3.99Å; H68-F388 AromaticContact ND1-CE1 3.91Å; H68-F388 AromaticContact NE2-CE1 3.79Å
69G96Very high95Very high1 Ų126 Ų261%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-107.6159.7169.800000111.4R125 V126 F127 H224G69-R125 PolarHBondContact N-O 2.78Å; G69-V126 CarbonylContact O-C 3.54Å; G69-V126 VanDerWaalsContact O-CA 3.31Å; G69-V126 WeakPolarHBondContact O-CA 3.13Å; G69-F127 PolarHBondContact O-N 3.34Å; G69-H224 WeakPolarHBondContact CA-O 3.47Å
70A95.3Very high95.6Very high3 Ų325.9 Ų25.93%0.02515%0.151CC..EExtended strand (participates in β ladder)trans-128.7135.3167.800000111.5F127 N223 H224A70-F127 WeakPolarHBondContact CA-O 3.38Å; A70-F127 HydrophobicContact CB-CB 4.28Å; A70-N223 HydrophobicContact CB-CB 4.37Å; A70-N223 WeakPolarHBondContact O-CB 3.38Å; A70-N223 PolarHBondContact O-N 2.79Å; A70-H224 WeakPolarHBondContact CB-CE1 3.38Å; A70-H224 WeakPolarHBondContact CB-NE2 3.49Å; A70-H224 PolarHBondContact N-O 3.33Å; A70-H224 VanDerWaalsContact N-O 3.16Å
71I96.6Very high96Very high4 Ų424.4 Ų24.42%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-136.8162.3-179.364.1175.1000110.7L82 F86 V126 F127 T128 S129 F188I71-L82 HydrophobicContact CD1-CD1 3.62Å; I71-L82 HydrophobicContact CD1-CD2 4.35Å; I71-F86 HydrophobicContact CD1-CE2 4.27Å; I71-F86 HydrophobicContact CD1-CZ 4.1Å; I71-V126 HydrophobicContact CD1-CG1 3.79Å; I71-V126 HydrophobicContact CG1-CG1 3.73Å; I71-V126 HydrophobicContact CG2-CG1 4.35Å; I71-F127 PolarHBondContact N-O 3.2Å; I71-T128 HydrophobicContact CD1-CG2 4.13Å; I71-T128 HydrophobicContact CG1-CG2 4.07Å; I71-S129 PolarHBondContact O-N 3.41Å; I71-F188 HydrophobicContact CD1-CD1 4.3Å; I71-F188 HydrophobicContact CD1-CE1 3.61Å; I71-F188 HydrophobicContact CG2-CD1 3.9Å; I71-F188 HydrophobicContact CG2-CE1 4.26Å
72R96.2Very high96.6Very high11 Ų1121.4 Ų21.44%0.04212%0.119CC..EExtended strand (participates in β ladder)trans-134.3129.3-179.5-58.3164.5-175.3173-3.8109.5S129 D213 V214 C220 N223R72-S129 CarbonylContact C-O 3.5Å; R72-S129 WeakPolarHBondContact CA-O 3.28Å; R72-D213 WeakPolarHBondContact CD-OD2 3.45Å; R72-D213 IonicContact CZ-OD2 2.82Å; R72-D213 IonicContact NE-OD2 3.73Å; R72-D213 IonicContact NH1-OD2 3.13Å; R72-D213 PolarHBondContact NH1-OD2 2.75Å; R72-V214 HydrophobicContact CB-CG2 3.49Å; R72-V214 VanDerWaalsContact CB-CG2 3.49Å; R72-V214 HydrophobicContact CG-CG2 4.36Å; R72-C220 WeakPolarHBondContact O-CB 3.48Å; R72-N223 VanDerWaalsContact CZ-ND2 3.28Å; R72-N223 PolarHBondContact NH1-ND2 2.98Å; R72-N223 PolarHBondContact NH2-ND2 3.45Å
73V98.3Very high96.9Very high0 Ų024.1 Ų24.10%013%0.13CC..EExtended strand (participates in β ladder)trans-116.5154176.9-69.80000110.8E78 L79 L82 T128 S129 L130 L131 I154 C220V73-E78 HydrophobicContact CB-CB 3.91Å; V73-E78 HydrophobicContact CG1-CB 4.05Å; V73-L79 HydrophobicContact CG2-CB 4.11Å; V73-L79 HydrophobicContact CG2-CD1 4.43Å; V73-L82 HydrophobicContact CG1-CD1 3.38Å; V73-T128 HydrophobicContact CG2-CG2 4.25Å; V73-S129 WeakPolarHBondContact CG2-O 3.08Å; V73-S129 PolarHBondContact N-O 3.38Å; V73-L130 HydrophobicContact CG2-CB 4.4Å; V73-L130 HydrophobicContact CG2-CD1 4.13Å; V73-L131 PolarHBondContact O-N 3.46Å; V73-I154 HydrophobicContact CG1-CD1 4.27Å; V73-C220 HydrophobicContact CG1-CB 4.09Å
74G98Very high97.2Very high3 Ų326.4 Ų26.43%0.03114%0.138CC..SBendtrans-99.7-19.8-174.200000114.4E78G74-E78 PolarHBondContact N-OE2 3.31Å
75T98.5Very high97.6Very high26 Ų2620.6 Ų20.616%0.1611%0.107CC..SBendtrans-133.6156.7-174.675.10000113.8Q77 E78 L79 L130 L149T75-Q77 VanDerWaalsContact C-N 3.26Å; T75-Q77 PolarHBondContact O-N 3.32Å; T75-E78 PolarHBondContact N-OE2 3.5Å; T75-E78 PolarHBondContact O-N 2.9Å; T75-E78 WeakPolarHBondContact OG1-CG 3.33Å; T75-E78 PolarHBondContact OG1-N 2.84Å; T75-E78 VanDerWaalsContact OG1-N 3.14Å; T75-L79 PolarHBondContact O-N 2.96Å; T75-L79 VanDerWaalsContact O-N 3.11Å; T75-L130 WeakPolarHBondContact O-CD1 3.38Å; T75-L149 HydrophobicContact CG2-CB 3.88Å
76A98.2Very high97.9Very high34 Ų3419 Ų1928%0.28110%0.097SC..Hα-helixtrans-59.9-37.617300000112E78 L79 A80 A421A76-E78 PolarHBondContact O-N 3.25Å; A76-L79 PolarHBondContact O-N 3.26Å; A76-A80 WeakPolarHBondContact O-CB 3.38Å; A76-A80 PolarHBondContact O-N 3.16Å; A76-A421 HydrophobicContact CB-CB 3.6Å
77Q98.3Very high97.9Very high137 Ų13720.7 Ų20.764%0.6411%0.111SC*.Hα-helixtrans-65.6-38.8178.8-66.275.618.900112T75 T81T75-Q77 VanDerWaalsContact C-N 3.26Å; T75-Q77 PolarHBondContact O-N 3.32Å; Q77-T81 WeakPolarHBondContact O-CB 3.44Å; Q77-T81 PolarHBondContact O-N 3.38Å; Q77-T81 PolarHBondContact O-OG1 2.91Å
78E98.7Very high98Very high10 Ų1020.2 Ų20.25%0.04711%0.11CC..Hα-helixtrans-62.5-48.3172.5-70.5168.9-179.100111.2V73 G74 T75 A76 A80 T81 L82 R152 I154V73-E78 HydrophobicContact CB-CB 3.91Å; V73-E78 HydrophobicContact CG1-CB 4.05Å; G74-E78 PolarHBondContact N-OE2 3.31Å; T75-E78 PolarHBondContact N-OE2 3.5Å; T75-E78 PolarHBondContact O-N 2.9Å; T75-E78 WeakPolarHBondContact OG1-CG 3.33Å; T75-E78 PolarHBondContact OG1-N 2.84Å; T75-E78 VanDerWaalsContact OG1-N 3.14Å; A76-E78 PolarHBondContact O-N 3.25Å; E78-A80 PolarHBondContact O-N 2.95Å; E78-T81 PolarHBondContact O-N 3.27Å; E78-L82 PolarHBondContact O-N 3.39Å; E78-R152 VanDerWaalsContact CD-NH2 3.3Å; E78-R152 IonicContact OE1-CZ 3.19Å; E78-R152 VanDerWaalsContact OE1-CZ 3.28Å; E78-R152 IonicContact OE1-NE 3.33Å; E78-R152 PolarHBondContact OE1-NE 3.39Å; E78-R152 IonicContact OE1-NH2 3.47Å; E78-R152 PolarHBondContact OE1-NH2 3.46Å; E78-R152 IonicContact OE2-CZ 3.84Å; E78-R152 IonicContact OE2-NH2 2.76Å; E78-R152 PolarHBondContact OE2-NH2 3.4Å; E78-I154 HydrophobicContact CB-CD1 3.83Å; E78-I154 HydrophobicContact CG-CD1 3.59Å; E78-I154 HydrophobicContact CG-CG1 4.04Å
79L98.7Very high98Very high0 Ų020.2 Ų20.20%011%0.11CC..Hα-helixtrans-60.6-46.6178.2-179.263.1000112.3V73 T75 A76 T81 L82 R83 F111 T128 L130 F418 A421 L422V73-L79 HydrophobicContact CG2-CB 4.11Å; V73-L79 HydrophobicContact CG2-CD1 4.43Å; T75-L79 PolarHBondContact O-N 2.96Å; T75-L79 VanDerWaalsContact O-N 3.11Å; A76-L79 PolarHBondContact O-N 3.26Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 2.77Å; L79-L82 PolarHBondContact O-N 3.1Å; L79-R83 PolarHBondContact O-N 2.78Å; L79-F111 HydrophobicContact CD1-CE2 4.25Å; L79-F111 HydrophobicContact CD1-CZ 4.34Å; L79-T128 HydrophobicContact CD1-CG2 3.72Å; L79-L130 HydrophobicContact CD2-CB 4.26Å; L79-L130 HydrophobicContact CD2-CD2 3.9Å; L79-F418 HydrophobicContact CD1-CZ 4.44Å; L79-F418 HydrophobicContact CD2-CD2 4.19Å; L79-F418 HydrophobicContact CD2-CE1 4.48Å; L79-F418 HydrophobicContact CD2-CE2 3.66Å; L79-F418 HydrophobicContact CD2-CZ 3.83Å; L79-A421 HydrophobicContact CD2-CB 4.35Å; L79-L422 HydrophobicContact CD1-CD1 4.06Å; L79-L422 HydrophobicContact CD2-CB 4.07Å; L79-L422 HydrophobicContact CD2-CD1 4.21Å; L79-L422 HydrophobicContact CG-CB 4.46Å; L79-L422 HydrophobicContact CG-CD1 3.84Å
80A98.7Very high98.1Very high24 Ų2420.5 Ų20.520%0.19811%0.113CC..Hα-helixtrans-64-36.3178.900000112.5A76 E78 R84A76-A80 WeakPolarHBondContact O-CB 3.38Å; A76-A80 PolarHBondContact O-N 3.16Å; E78-A80 PolarHBondContact O-N 2.95Å; A80-R84 PolarHBondContact O-N 2.85Å
81T98.6Very high98.3Very high14 Ų1420.4 Ų20.49%0.08611%0.112CC..Hα-helixtrans-72.1-40.9176.7-54.50000111.2Q77 E78 L79 R83 R84 M85 F155 L163Q77-T81 WeakPolarHBondContact O-CB 3.44Å; Q77-T81 PolarHBondContact O-N 3.38Å; Q77-T81 PolarHBondContact O-OG1 2.91Å; E78-T81 PolarHBondContact O-N 3.27Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 2.77Å; T81-R83 VanDerWaalsContact C-N 3.3Å; T81-R83 PolarHBondContact O-N 3.01Å; T81-R84 WeakPolarHBondContact O-CB 3.43Å; T81-R84 PolarHBondContact O-N 2.74Å; T81-R84 VanDerWaalsContact O-N 3.12Å; T81-M85 PolarHBondContact O-N 2.76Å; T81-F155 VanDerWaalsContact CB-CE2 3.47Å; T81-F155 HydrophobicContact CG2-CD1 4.14Å; T81-F155 HydrophobicContact CG2-CD2 3.77Å; T81-F155 HydrophobicContact CG2-CE1 3.88Å; T81-F155 HydrophobicContact CG2-CE2 3.47Å; T81-F155 VanDerWaalsContact CG2-CE2 3.47Å; T81-F155 HydrophobicContact CG2-CG 4.07Å; T81-F155 HydrophobicContact CG2-CZ 3.53Å; T81-L163 HydrophobicContact CG2-CD1 3.95Å
82L98.7Very high98.4Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-59.2-39.9172.6-81.2176.9000112.1I71 V73 E78 L79 R84 M85 F86 T128 F155 F188I71-L82 HydrophobicContact CD1-CD1 3.62Å; I71-L82 HydrophobicContact CD1-CD2 4.35Å; V73-L82 HydrophobicContact CG1-CD1 3.38Å; E78-L82 PolarHBondContact O-N 3.39Å; L79-L82 PolarHBondContact O-N 3.1Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.38Å; L82-M85 HydrophobicContact CD2-SD 4.02Å; L82-M85 WeakPolarHBondContact O-CB 3.24Å; L82-M85 PolarHBondContact O-N 2.78Å; L82-F86 HydrophobicContact CB-CD2 4.16Å; L82-F86 HydrophobicContact CB-CE2 3.96Å; L82-F86 HydrophobicContact CD1-CE2 4.47Å; L82-F86 HydrophobicContact CD2-CE2 4Å; L82-F86 HydrophobicContact CD2-CZ 4.18Å; L82-F86 HydrophobicContact CG-CE2 4.38Å; L82-F86 WeakPolarHBondContact O-CB 3.49Å; L82-F86 WeakPolarHBondContact O-CD2 3.31Å; L82-F86 WeakPolarHBondContact O-CG 3.39Å; L82-F86 PolarHBondContact O-N 3.26Å; L82-T128 HydrophobicContact CD1-CG2 3.98Å; L82-F155 HydrophobicContact CD2-CE1 3.91Å; L82-F155 HydrophobicContact CD2-CZ 4.25Å; L82-F155 HydrophobicContact CG-CE1 4.18Å; L82-F155 HydrophobicContact CG-CZ 4Å; L82-F188 HydrophobicContact CD2-CE1 3.87Å; L82-F188 HydrophobicContact CD2-CZ 3.68Å
83R98.7Very high98.5Very high64 Ų6424.9 Ų24.924%0.24213%0.131CC..Hα-helixtrans-56.4-44.2174173.8-177.355.8722.4112L79 T81 F86 A87 F111 L422 C424L79-R83 PolarHBondContact O-N 2.78Å; T81-R83 VanDerWaalsContact C-N 3.3Å; T81-R83 PolarHBondContact O-N 3.01Å; R83-F86 PolarHBondContact O-N 2.7Å; R83-A87 WeakPolarHBondContact O-CB 3.46Å; R83-A87 PolarHBondContact O-N 3.26Å; R83-F111 HydrophobicContact CB-CE1 3.73Å; R83-F111 HydrophobicContact CB-CZ 3.97Å; R83-F111 HydrophobicContact CG-CE1 4Å; R83-L422 HydrophobicContact CB-CD1 3.92Å; R83-L422 HydrophobicContact CG-CD1 4.34Å; R83-L422 PolarHBondContact NE-O 3.3Å; R83-L422 PolarHBondContact NH2-O 3.29Å; R83-C424 WeakPolarHBondContact CD-SG 3.46Å
84R98.5Very high98.5Very high52 Ų5224.9 Ų24.920%0.19613%0.131CC..Hα-helixtrans-63.7-44.5177.8-64.5167.167.5-159.64.4110.9A80 T81 L82 A87 I88 L163 E164 E167A80-R84 PolarHBondContact O-N 2.85Å; T81-R84 WeakPolarHBondContact O-CB 3.43Å; T81-R84 PolarHBondContact O-N 2.74Å; T81-R84 VanDerWaalsContact O-N 3.12Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.38Å; R84-A87 PolarHBondContact O-N 3.34Å; R84-I88 PolarHBondContact O-N 3.45Å; R84-L163 HydrophobicContact CB-CD2 4.24Å; R84-E164 IonicContact CZ-OE1 3.8Å; R84-E164 IonicContact NH1-OE1 3.43Å; R84-E164 PolarHBondContact NH1-OE1 2.84Å; R84-E164 IonicContact NH2-OE1 2.81Å; R84-E164 PolarHBondContact NH2-OE1 2.99Å; R84-E164 IonicContact NH2-OE2 2.74Å; R84-E167 IonicContact CZ-OE1 2.76Å; R84-E167 VanDerWaalsContact CZ-OE1 3.3Å; R84-E167 IonicContact CZ-OE2 3.8Å; R84-E167 IonicContact NE-OE1 3.65Å; R84-E167 PolarHBondContact NE-OE1 2.99Å; R84-E167 IonicContact NE-OE2 2.81Å; R84-E167 IonicContact NH2-OE1 2.81Å; R84-E167 PolarHBondContact NH2-OE1 3.15Å; R84-E167 IonicContact NH2-OE2 3.85Å; R84-E167 PolarHBondContact NH2-OE2 3.23Å
85M98.6Very high98.4Very high0 Ų025.3 Ų25.30%013%0.133CC..Hα-helixtrans-59.2-47.8176.1179.5-168.2-79.400111.8T81 L82 A87 I88 M89 F155 C159 L163 F180 A184 F188T81-M85 PolarHBondContact O-N 2.76Å; L82-M85 HydrophobicContact CD2-SD 4.02Å; L82-M85 WeakPolarHBondContact O-CB 3.24Å; L82-M85 PolarHBondContact O-N 2.78Å; M85-A87 VanDerWaalsContact C-N 3.34Å; M85-A87 PolarHBondContact O-N 3.42Å; M85-I88 WeakPolarHBondContact O-CB 3.1Å; M85-I88 PolarHBondContact O-N 3.26Å; M85-M89 HydrophobicContact CG-CE 3.9Å; M85-M89 VanDerWaalsContact O-CE 3.31Å; M85-M89 WeakPolarHBondContact O-CE 3.19Å; M85-F155 HydrophobicContact CE-CD1 3.58Å; M85-F155 HydrophobicContact CE-CE1 3.69Å; M85-C159 WeakPolarHBondContact CE-SG 3.26Å; M85-L163 HydrophobicContact CB-CD2 4.24Å; M85-F180 HydrophobicContact CB-CZ 4.43Å; M85-F180 HydrophobicContact CG-CE2 4.19Å; M85-F180 HydrophobicContact CG-CZ 3.66Å; M85-A184 HydrophobicContact CE-CB 3.89Å; M85-A184 HydrophobicContact CG-CB 4.4Å; M85-A184 HydrophobicContact SD-CB 3.94Å; M85-F188 HydrophobicContact SD-CE2 3.95Å; M85-F188 HydrophobicContact SD-CZ 3.83Å
86F98.7Very high98.3Very high0 Ų026.1 Ų26.10%013%0.133CC..Hα-helixtrans-68.2-31178.8-70.7-45.4000113.2F14 I71 L82 R83 I88 M89 G90 M91 F111 V126 F188F14-F86 HydrophobicContact CE1-CE1 4.33Å; I71-F86 HydrophobicContact CD1-CE2 4.27Å; I71-F86 HydrophobicContact CD1-CZ 4.1Å; L82-F86 HydrophobicContact CB-CD2 4.16Å; L82-F86 HydrophobicContact CB-CE2 3.96Å; L82-F86 HydrophobicContact CD1-CE2 4.47Å; L82-F86 HydrophobicContact CD2-CE2 4Å; L82-F86 HydrophobicContact CD2-CZ 4.18Å; L82-F86 HydrophobicContact CG-CE2 4.38Å; L82-F86 WeakPolarHBondContact O-CB 3.49Å; L82-F86 WeakPolarHBondContact O-CD2 3.31Å; L82-F86 WeakPolarHBondContact O-CG 3.39Å; L82-F86 PolarHBondContact O-N 3.26Å; R83-F86 PolarHBondContact O-N 2.7Å; F86-I88 VanDerWaalsContact C-N 3.31Å; F86-I88 PolarHBondContact O-N 3.25Å; F86-M89 HydrophobicContact CD1-CE 3.8Å; F86-M89 HydrophobicContact CE1-CE 4.31Å; F86-M89 CarbonylContact O-C 3.54Å; F86-M89 WeakPolarHBondContact O-CA 3.5Å; F86-M89 WeakPolarHBondContact O-CB 2.93Å; F86-M89 PolarHBondContact O-N 3.43Å; F86-G90 PolarHBondContact O-N 2.78Å; F86-M91 CarbonylContact C-O 3.59Å; F86-M91 HydrophobicContact CB-CB 3.98Å; F86-M91 HydrophobicContact CD1-CE 3.97Å; F86-M91 HydrophobicContact CD1-SD 4.13Å; F86-M91 HydrophobicContact CE1-CE 4.34Å; F86-M91 WeakPolarHBondContact O-CB 3.35Å; F86-M91 PolarHBondContact O-N 2.78Å; F86-F111 HydrophobicContact CB-CB 4.11Å; F86-F111 HydrophobicContact CB-CD1 3.78Å; F86-F111 HydrophobicContact CB-CE1 4.48Å; F86-F111 HydrophobicContact CB-CG 4.06Å; F86-F111 HydrophobicContact CD2-CB 3.74Å; F86-F111 AromaticContact CD2-CD1 3.7Å; F86-F111 HydrophobicContact CD2-CD1 3.7Å; F86-F111 AromaticContact CD2-CD2 3.53Å; F86-F111 HydrophobicContact CD2-CD2 3.53Å; F86-F111 HydrophobicContact CD2-CE1 4.15Å; F86-F111 AromaticContact CD2-CE2 3.97Å; F86-F111 HydrophobicContact CD2-CE2 3.97Å; F86-F111 AromaticContact CD2-CG 3.35Å; F86-F111 HydrophobicContact CD2-CG 3.35Å; F86-F111 HydrophobicContact CD2-CZ 4.25Å; F86-F111 HydrophobicContact CE2-CB 4.32Å; F86-F111 AromaticContact CE2-CD2 3.79Å; F86-F111 HydrophobicContact CE2-CD2 3.79Å; F86-F111 HydrophobicContact CE2-CE2 4.24Å; F86-F111 HydrophobicContact CE2-CG 4.03Å; F86-F111 HydrophobicContact CG-CB 3.91Å; F86-F111 HydrophobicContact CG-CD1 4.11Å; F86-F111 HydrophobicContact CG-CD2 4.5Å; F86-F111 AromaticContact CG-CG 3.92Å; F86-F111 HydrophobicContact CG-CG 3.92Å; F86-V126 HydrophobicContact CE1-CB 4.27Å; F86-V126 HydrophobicContact CE1-CG2 3.98Å; F86-V126 HydrophobicContact CE2-CB 4.47Å; F86-V126 HydrophobicContact CE2-CG1 4.36Å; F86-V126 HydrophobicContact CZ-CB 3.95Å; F86-V126 HydrophobicContact CZ-CG1 3.85Å; F86-V126 HydrophobicContact CZ-CG2 4.08Å; F86-F188 HydrophobicContact CE1-CZ 4.5Å; F86-F188 HydrophobicContact CZ-CZ 4.15Å
87A98.5Very high98.1Very high38 Ų3824.8 Ų24.831%0.31412%0.121SC..Hα-helixtrans-62.5-35.5175.500000112.9R83 R84 M85 M89 G90R83-A87 WeakPolarHBondContact O-CB 3.46Å; R83-A87 PolarHBondContact O-N 3.26Å; R84-A87 PolarHBondContact O-N 3.34Å; M85-A87 VanDerWaalsContact C-N 3.34Å; M85-A87 PolarHBondContact O-N 3.42Å; A87-M89 PolarHBondContact O-N 3.43Å; A87-G90 PolarHBondContact O-N 2.89Å
88I98.2Very high97.7Very high3 Ų319.1 Ų19.12%0.01510%0.095CC..Hα-helixtrans-57.5-33.5173.2-65-173.6000111.4A7 I10 R84 M85 F86 G90 L163 Y166 F172 F180A7-I88 WeakPolarHBondContact CB-O 3.36Å; I10-I88 HydrophobicContact CD1-CG2 3.89Å; R84-I88 PolarHBondContact O-N 3.45Å; M85-I88 WeakPolarHBondContact O-CB 3.1Å; M85-I88 PolarHBondContact O-N 3.26Å; F86-I88 VanDerWaalsContact C-N 3.31Å; F86-I88 PolarHBondContact O-N 3.25Å; I88-G90 VanDerWaalsContact C-N 3.32Å; I88-L163 HydrophobicContact CD1-CD2 3.57Å; I88-L163 HydrophobicContact CG1-CD2 4.4Å; I88-Y166 HydrophobicContact CB-CD2 4.42Å; I88-Y166 HydrophobicContact CB-CE2 4.23Å; I88-Y166 HydrophobicContact CD1-CD1 4.01Å; I88-Y166 HydrophobicContact CD1-CD2 3.92Å; I88-Y166 HydrophobicContact CD1-CG 3.59Å; I88-Y166 HydrophobicContact CG1-CD1 3.66Å; I88-Y166 HydrophobicContact CG1-CD2 3.91Å; I88-Y166 HydrophobicContact CG1-CE1 3.86Å; I88-Y166 HydrophobicContact CG1-CE2 4.08Å; I88-Y166 HydrophobicContact CG1-CG 3.69Å; I88-Y166 HydrophobicContact CG2-CD2 3.89Å; I88-Y166 HydrophobicContact CG2-CE2 3.71Å; I88-F172 HydrophobicContact CD1-CE2 3.87Å; I88-F172 HydrophobicContact CD1-CZ 4.14Å; I88-F172 HydrophobicContact CG2-CD2 3.96Å; I88-F172 HydrophobicContact CG2-CE2 3.79Å; I88-F180 HydrophobicContact CB-CE1 4.09Å; I88-F180 HydrophobicContact CB-CZ 4.08Å; I88-F180 HydrophobicContact CD1-CD2 4.41Å; I88-F180 HydrophobicContact CD1-CE1 4.4Å; I88-F180 HydrophobicContact CD1-CE2 3.83Å; I88-F180 HydrophobicContact CD1-CZ 3.81Å; I88-F180 HydrophobicContact CG1-CZ 4.42Å; I88-F180 HydrophobicContact CG2-CD1 4.1Å; I88-F180 HydrophobicContact CG2-CE1 3.69Å; I88-F180 HydrophobicContact CG2-CZ 4.1Å
89M98.2Very high97.3Very high0 Ų018.8 Ų18.80%09%0.094CC..THydrogen-bonded Turntrans-91.611.9179.2-67.7177.4-86.400112.9I10 R11 F14 M85 F86 A87 M91 F180I10-M89 HydrophobicContact CB-CG 4.32Å; I10-M89 HydrophobicContact CG2-CG 3.75Å; R11-M89 HydrophobicContact CB-CB 4.01Å; R11-M89 WeakPolarHBondContact CB-O 3.45Å; R11-M89 WeakPolarHBondContact CD-O 3.45Å; R11-M89 HydrophobicContact CG-CB 4.49Å; R11-M89 PolarHBondContact NH1-O 3.33Å; F14-M89 HydrophobicContact CB-SD 3.53Å; F14-M89 VanDerWaalsContact CB-SD 3.53Å; F14-M89 HydrophobicContact CD1-CE 4.16Å; F14-M89 HydrophobicContact CD1-SD 3.4Å; F14-M89 WeakPolarHBondContact CD1-SD 3.34Å; F14-M89 HydrophobicContact CD2-SD 4.02Å; F14-M89 HydrophobicContact CE1-CE 4.19Å; F14-M89 HydrophobicContact CE1-SD 4.03Å; F14-M89 HydrophobicContact CG-CE 4.33Å; F14-M89 HydrophobicContact CG-SD 3.38Å; F14-M89 WeakPolarHBondContact CG-SD 3.39Å; F14-M89 HydrophobicContact CZ-CE 4.4Å; M85-M89 HydrophobicContact CG-CE 3.9Å; M85-M89 VanDerWaalsContact O-CE 3.31Å; M85-M89 WeakPolarHBondContact O-CE 3.19Å; F86-M89 HydrophobicContact CD1-CE 3.8Å; F86-M89 HydrophobicContact CE1-CE 4.31Å; F86-M89 CarbonylContact O-C 3.54Å; F86-M89 WeakPolarHBondContact O-CA 3.5Å; F86-M89 WeakPolarHBondContact O-CB 2.93Å; F86-M89 PolarHBondContact O-N 3.43Å; A87-M89 PolarHBondContact O-N 3.43Å; M89-M91 HydrophobicContact CB-CG 4.32Å; M89-M91 HydrophobicContact CB-SD 3.95Å; M89-M91 PolarHBondContact O-N 2.73Å; M89-F180 HydrophobicContact CE-CE1 4.12Å; M89-F180 HydrophobicContact CE-CZ 4.34Å; M89-F180 HydrophobicContact CG-CE1 4.32Å; M89-F180 HydrophobicContact SD-CE1 4.49Å
90G98.2Very high96.7Very high7 Ų720.3 Ų20.37%0.07210%0.104CC..THydrogen-bonded Turntrans65.928179.100000113.1F86 A87 I88 Y92 P113F86-G90 PolarHBondContact O-N 2.78Å; A87-G90 PolarHBondContact O-N 2.89Å; I88-G90 VanDerWaalsContact C-N 3.32Å; G90-Y92 VanDerWaalsContact O-CE2 3.31Å; G90-Y92 WeakPolarHBondContact O-CE2 3.42Å; G90-P113 WeakPolarHBondContact O-CA 3.42Å
91M98.8Very high95.8Very high1 Ų122 Ų221%0.00511%0.108CC..  trans-110.9124.5-178.9-63.2164.766.200110.2R11 F86 M89 F111 R112 P113 F124 V126R11-M91 HydrophobicContact CG-CG 4.36Å; R11-M91 HydrophobicContact CG-SD 3.92Å; F86-M91 CarbonylContact C-O 3.59Å; F86-M91 HydrophobicContact CB-CB 3.98Å; F86-M91 HydrophobicContact CD1-CE 3.97Å; F86-M91 HydrophobicContact CD1-SD 4.13Å; F86-M91 HydrophobicContact CE1-CE 4.34Å; F86-M91 WeakPolarHBondContact O-CB 3.35Å; F86-M91 PolarHBondContact O-N 2.78Å; M89-M91 HydrophobicContact CB-CG 4.32Å; M89-M91 HydrophobicContact CB-SD 3.95Å; M89-M91 PolarHBondContact O-N 2.73Å; M91-F111 HydrophobicContact CB-CB 4.22Å; M91-F111 HydrophobicContact CE-CB 4.19Å; M91-F111 WeakPolarHBondContact CE-O 3.36Å; M91-R112 WeakPolarHBondContact CA-O 3.14Å; M91-P113 HydrophobicContact CG-CG 4.44Å; M91-F124 HydrophobicContact CE-CD1 3.84Å; M91-F124 HydrophobicContact CE-CE1 4.16Å; M91-F124 HydrophobicContact SD-CD1 4.03Å; M91-V126 HydrophobicContact CE-CB 4.27Å; M91-V126 HydrophobicContact CE-CG2 3.86Å
92Y98.8Very high94.8Very high101 Ų10122.1 Ų22.140%0.39611%0.11SC..EExtended strand (participates in β ladder)trans-118.2150-172.7-54.4-81.3000110.5G90 V94 A110 F111 R112 I114G90-Y92 VanDerWaalsContact O-CE2 3.31Å; G90-Y92 WeakPolarHBondContact O-CE2 3.42Å; Y92-V94 PolarHBondContact O-N 2.91Å; Y92-A110 VanDerWaalsContact O-O 3.05Å; Y92-F111 VanDerWaalsContact O-CA 3.31Å; Y92-F111 WeakPolarHBondContact O-CA 3.21Å; Y92-R112 PolarHBondContact N-O 3.42Å; Y92-R112 PolarHBondContact O-N 3.37Å; Y92-I114 HydrophobicContact CD2-CD1 4.02Å; Y92-I114 HydrophobicContact CD2-CG1 3.95Å; Y92-I114 HydrophobicContact CD2-CG2 4.25Å; Y92-I114 HydrophobicContact CE2-CD1 4.37Å; Y92-I114 HydrophobicContact CE2-CG1 4.22Å
93P98.7Very high94.1Very high9 Ų923.9 Ų23.96%0.05813%0.129CC..EExtended strand (participates in β ladder)trans-71.7111.5179.129.7-33.8000110.5T109 F111 L422 V426 L427P93-T109 HydrophobicContact CB-CG2 3.86Å; P93-F111 HydrophobicContact CB-CD1 4.23Å; P93-F111 HydrophobicContact CB-CE1 3.84Å; P93-F111 HydrophobicContact CB-CZ 4.28Å; P93-F111 HydrophobicContact CG-CE1 4.23Å; P93-L422 HydrophobicContact CB-CD1 4.49Å; P93-L422 HydrophobicContact CB-CD2 3.69Å; P93-L422 HydrophobicContact CG-CD2 3.81Å; P93-V426 HydrophobicContact CB-CG1 4.26Å; P93-L427 PolarHBondContact O-N 3.2Å
94V98.7Very high93.6Very high0 Ų020.9 Ų20.90%012%0.118CC..EExtended strand (participates in β ladder)trans-114.7132.7179.6-1710000110.5Y92 T109 A110 R112 I114 D387 L427 E429 L432Y92-V94 PolarHBondContact O-N 2.91Å; V94-T109 PolarHBondContact N-OG1 2.76Å; V94-T109 PolarHBondContact O-OG1 2.8Å; V94-A110 PolarHBondContact N-O 2.82Å; V94-A110 PolarHBondContact O-N 2.67Å; V94-A110 VanDerWaalsContact O-N 3.14Å; V94-R112 HydrophobicContact CB-CG 4.19Å; V94-R112 HydrophobicContact CG2-CG 3.69Å; V94-I114 HydrophobicContact CG2-CG2 3.83Å; V94-D387 WeakPolarHBondContact CG1-OD1 3.31Å; V94-L427 HydrophobicContact CG1-CB 4.44Å; V94-L427 HydrophobicContact CG2-CB 4.28Å; V94-L427 HydrophobicContact CG2-CD1 4.28Å; V94-E429 HydrophobicContact CG1-CB 3.84Å; V94-L432 HydrophobicContact CG1-CD1 3.81Å; V94-L432 HydrophobicContact CG2-CD1 3.96Å
95S96.8Very high93.3Very high11 Ų1118.9 Ų18.98%0.07711%0.111CC..EExtended strand (participates in β ladder)trans62.8165.2-178.7-155.30000114.7T109 L427 E429S95-T109 WeakPolarHBondContact O-CB 3.4Å; S95-T109 PolarHBondContact O-OG1 3.05Å; S95-L427 PolarHBondContact N-O 2.83Å; S95-E429 WeakPolarHBondContact CB-OE2 3.49Å; S95-E429 PolarHBondContact OG-OE1 2.81Å; S95-E429 PolarHBondContact OG-OE2 2.81Å
96Y95.4Very high93Very high43 Ų4318.9 Ų18.917%0.16911%0.111CC..EExtended strand (participates in β ladder)trans-126.6129.8178.4173.8-110.1000110.1D98 H107 S414 R415 F418Y96-D98 HydrophobicContact CE1-CB 3.82Å; Y96-H107 HydrophobicContact CE2-CB 3.78Å; Y96-H107 WeakPolarHBondContact OH-CB 3.45Å; Y96-H107 PolarHBondContact OH-ND1 3.14Å; Y96-S414 WeakPolarHBondContact OH-CB 3.47Å; Y96-S414 PolarHBondContact OH-O 2.73Å; Y96-S414 PolarHBondContact OH-OG 2.84Å; Y96-R415 HydrophobicContact CD1-CB 3.82Å; Y96-R415 HydrophobicContact CD1-CG 3.97Å; Y96-R415 HydrophobicContact CD2-CG 4.4Å; Y96-R415 HydrophobicContact CE1-CB 3.78Å; Y96-R415 HydrophobicContact CE1-CG 4.4Å; Y96-R415 HydrophobicContact CG-CB 4.25Å; Y96-R415 HydrophobicContact CG-CG 3.97Å; Y96-F418 HydrophobicContact CD2-CB 4.16Å; Y96-F418 AromaticContact CD2-CD1 3.91Å; Y96-F418 HydrophobicContact CD2-CD1 3.91Å; Y96-F418 HydrophobicContact CD2-CG 4Å; Y96-F418 HydrophobicContact CE2-CB 3.67Å; Y96-F418 HydrophobicContact CE2-CD1 4.18Å; Y96-F418 HydrophobicContact CE2-CD2 4.29Å; Y96-F418 AromaticContact CE2-CG 3.78Å; Y96-F418 HydrophobicContact CE2-CG 3.78Å
97Y93.2Very high92.9Very high6 Ų619.3 Ų19.32%0.02411%0.113CC..EExtended strand (participates in β ladder)trans-123111.5-177.8-52-93.3000109.7L99 H107 S108 A110 F127 F388 P390Y97-L99 WeakPolarHBondContact O-CD1 3.41Å; Y97-H107 CarbonylContact O-C 3.58Å; Y97-H107 VanDerWaalsContact O-CA 3.28Å; Y97-H107 WeakPolarHBondContact O-CA 3.47Å; Y97-S108 PolarHBondContact N-O 2.85Å; Y97-S108 PolarHBondContact O-N 2.86Å; Y97-A110 HydrophobicContact CE2-CB 4.4Å; Y97-F127 HydrophobicContact CD1-CE2 4.16Å; Y97-F127 HydrophobicContact CD2-CD2 4.48Å; Y97-F127 AromaticContact CD2-CE2 3.55Å; Y97-F127 HydrophobicContact CD2-CE2 3.55Å; Y97-F127 HydrophobicContact CD2-CZ 4.12Å; Y97-F127 HydrophobicContact CE1-CE2 4.38Å; Y97-F127 HydrophobicContact CE2-CD2 4.44Å; Y97-F127 AromaticContact CE2-CE2 3.83Å; Y97-F127 HydrophobicContact CE2-CE2 3.83Å; Y97-F127 AromaticContact CG-CE2 3.73Å; Y97-F127 HydrophobicContact CG-CE2 3.73Å; Y97-F127 HydrophobicContact CG-CZ 4.01Å; Y97-F388 HydrophobicContact CE1-CB 3.98Å; Y97-F388 PolarHBondContact OH-N 3.35Å; Y97-P390 HydrophobicContact CD1-CB 4.34Å
98D91.2Very high92.7Very high19 Ų1917.5 Ų17.510%0.10210%0.098CC..EExtended strand (participates in β ladder)trans-95.1101.9173.3-168.7-8.9000110.6Y96 S100 Q101 R132 S414Y96-D98 HydrophobicContact CE1-CB 3.82Å; D98-S100 VanDerWaalsContact C-N 3.33Å; D98-S100 VanDerWaalsContact CG-OG 3.29Å; D98-S100 VanDerWaalsContact OD1-CB 3.25Å; D98-S100 WeakPolarHBondContact OD1-CB 3.11Å; D98-S100 PolarHBondContact OD1-N 3.2Å; D98-S100 PolarHBondContact OD1-OG 2.74Å; D98-S100 PolarHBondContact OD2-OG 2.92Å; D98-Q101 HydrophobicContact CB-CG 4.42Å; D98-R132 IonicContact OD1-NH1 3.56Å; D98-S414 WeakPolarHBondContact OD2-CB 3.4Å; D98-S414 PolarHBondContact OD2-OG 2.98Å
99L89.7Confident92.7Very high2 Ų217.4 Ų17.41%0.0110%0.098CC..G310 helixtrans-88-5.3-178.1-77.569.4000112.5Y97 Q101 A102 V104 V106 F127 A393 A394 F397Y97-L99 WeakPolarHBondContact O-CD1 3.41Å; L99-Q101 PolarHBondContact O-N 3Å; L99-A102 PolarHBondContact O-N 3.38Å; L99-V104 CarbonylContact C-O 3.52Å; L99-V104 VanDerWaalsContact C-O 3.25Å; L99-V104 HydrophobicContact CB-CB 4.16Å; L99-V104 PolarHBondContact O-N 3.42Å; L99-V106 HydrophobicContact CB-CG2 3.8Å; L99-V106 HydrophobicContact CD2-CG2 3.89Å; L99-V106 HydrophobicContact CG-CG2 4.36Å; L99-V106 PolarHBondContact N-O 3.14Å; L99-F127 HydrophobicContact CD1-CZ 4.25Å; L99-A393 HydrophobicContact CD2-CB 4.35Å; L99-A394 HydrophobicContact CD2-CB 4.46Å; L99-A394 HydrophobicContact CG-CB 4.28Å; L99-F397 HydrophobicContact CD2-CD2 3.12Å; L99-F397 HydrophobicContact CD2-CE2 3.36Å; L99-F397 HydrophobicContact CD2-CG 3.89Å; L99-F397 HydrophobicContact CD2-CZ 4.18Å
100S86.6Confident92.7Very high32 Ų3217.4 Ų17.422%0.22410%0.098CC..G310 helixtrans-61.7-24.4171.572.60000111.9D98 A102 G103 V104 V106 R132D98-S100 VanDerWaalsContact C-N 3.33Å; D98-S100 VanDerWaalsContact CG-OG 3.29Å; D98-S100 VanDerWaalsContact OD1-CB 3.25Å; D98-S100 WeakPolarHBondContact OD1-CB 3.11Å; D98-S100 PolarHBondContact OD1-N 3.2Å; D98-S100 PolarHBondContact OD1-OG 2.74Å; D98-S100 PolarHBondContact OD2-OG 2.92Å; S100-A102 PolarHBondContact O-N 2.82Å; S100-A102 VanDerWaalsContact O-N 3.12Å; S100-G103 PolarHBondContact O-N 3.14Å; S100-V104 WeakPolarHBondContact CA-O 3.34Å; S100-V104 PolarHBondContact N-O 3.31Å; S100-V106 PolarHBondContact N-O 3.5Å; S100-R132 PolarHBondContact OG-NH1 2.9Å
101Q79.6Confident92.8Very high61 Ų6117 Ų1729%0.2859%0.094SC..G310 helixtrans-64.7-12.3172.6-50.3-165.123.700113.4D98 L99 R408 S409D98-Q101 HydrophobicContact CB-CG 4.42Å; L99-Q101 PolarHBondContact O-N 3Å; Q101-R408 WeakPolarHBondContact O-CA 3.41Å; Q101-R408 VanDerWaalsContact O-CB 3.27Å; Q101-R408 WeakPolarHBondContact O-CB 3.38Å; Q101-R408 WeakPolarHBondContact O-CG 3.48Å; Q101-S409 WeakPolarHBondContact CB-O 3.27Å; Q101-S409 VanDerWaalsContact CG-O 3.24Å; Q101-S409 WeakPolarHBondContact CG-O 3.38Å
102A77.5Confident92.8Very high15 Ų1517.1 Ų17.112%0.1249%0.094CC..G310 helixtrans-117.823.3174.500000111.4L99 S100 V104 A394 Q398L99-A102 PolarHBondContact O-N 3.38Å; S100-A102 PolarHBondContact O-N 2.82Å; S100-A102 VanDerWaalsContact O-N 3.12Å; A102-V104 PolarHBondContact O-N 3.11Å; A102-A394 HydrophobicContact CB-CB 3.22Å; A102-Q398 PolarHBondContact O-NE2 2.91Å
103G83.3Confident92.7Very high38 Ų3812.4 Ų12.439%0.3928%0.076SC..THydrogen-bonded Turntrans70.89.8178.200000114.8S100S100-G103 PolarHBondContact O-N 3.14Å
104V87.7Confident92.7Very high1 Ų114.6 Ų14.61%0.0069%0.087CC..  trans-95.6124.7175.8-174.10000108.2L99 S100 A102 V106 L210 F397 Q398L99-V104 CarbonylContact C-O 3.52Å; L99-V104 VanDerWaalsContact C-O 3.25Å; L99-V104 HydrophobicContact CB-CB 4.16Å; L99-V104 PolarHBondContact O-N 3.42Å; S100-V104 WeakPolarHBondContact CA-O 3.34Å; S100-V104 PolarHBondContact N-O 3.31Å; A102-V104 PolarHBondContact O-N 3.11Å; V104-V106 HydrophobicContact CG1-CG1 4.47Å; V104-V106 HydrophobicContact CG1-CG2 3.85Å; V104-V106 PolarHBondContact O-N 3.4Å; V104-L210 HydrophobicContact CG1-CD1 3.55Å; V104-F397 HydrophobicContact CG1-CB 4.31Å; V104-F397 HydrophobicContact CG2-CB 4.18Å; V104-Q398 HydrophobicContact CG2-CG 4.03Å
105P92.6Very high92.6Very high9 Ų917.8 Ų17.86%0.05810%0.104CC..SBendtrans-79.549.3-169.533.2-37.5000113.1L131 R132 L135 I211P105-L131 HydrophobicContact CB-CD1 4.48Å; P105-L131 HydrophobicContact CG-CD1 4.2Å; P105-R132 WeakPolarHBondContact O-CB 3.24Å; P105-R132 PolarHBondContact O-N 3.3Å; P105-L135 HydrophobicContact CB-CB 3.95Å; P105-L135 HydrophobicContact CB-CD1 4.26Å; P105-I211 HydrophobicContact CG-CG1 4.25Å
106V93.6Very high92.4Very high1 Ų118.4 Ų18.41%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-139159.4-179-52.40000112L99 S100 V104 L130 L131 L210L99-V106 HydrophobicContact CB-CG2 3.8Å; L99-V106 HydrophobicContact CD2-CG2 3.89Å; L99-V106 HydrophobicContact CG-CG2 4.36Å; L99-V106 PolarHBondContact N-O 3.14Å; S100-V106 PolarHBondContact N-O 3.5Å; V104-V106 HydrophobicContact CG1-CG1 4.47Å; V104-V106 HydrophobicContact CG1-CG2 3.85Å; V104-V106 PolarHBondContact O-N 3.4Å; V106-L130 VanDerWaalsContact CA-O 3.27Å; V106-L130 WeakPolarHBondContact CA-O 3.28Å; V106-L130 WeakPolarHBondContact CB-O 3.46Å; V106-L131 HydrophobicContact CG1-CD1 4.49Å; V106-L210 HydrophobicContact CG1-CD1 3.77Å; V106-L210 HydrophobicContact CG1-CD2 3.42Å; V106-L210 VanDerWaalsContact CG1-CD2 3.42Å; V106-L210 HydrophobicContact CG1-CG 4.29Å
107H95.1Very high92.4Very high9 Ų919.4 Ų19.44%0.04212%0.124CC..EExtended strand (participates in β ladder)trans-134.8152.9163.556.6177.9000109.3Y96 Y97 L130 S414 F418Y96-H107 HydrophobicContact CE2-CB 3.78Å; Y96-H107 WeakPolarHBondContact OH-CB 3.45Å; Y96-H107 PolarHBondContact OH-ND1 3.14Å; Y97-H107 CarbonylContact O-C 3.58Å; Y97-H107 VanDerWaalsContact O-CA 3.28Å; Y97-H107 WeakPolarHBondContact O-CA 3.47Å; H107-L130 PolarHBondContact CD2-O 2.94Å; H107-L130 PolarHBondContact N-O 3.47Å; H107-L130 PolarHBondContact O-N 3.24Å; H107-S414 PolarHBondContact ND1-O 3.35Å; H107-F418 HydrophobicContact CB-CD2 4.38Å; H107-F418 AromaticContact CD2-CD2 3.54Å; H107-F418 AromaticContact CE1-CD2 3.77Å; H107-F418 AromaticContact CG-CD2 3.63Å; H107-F418 AromaticContact ND1-CD2 3.78Å; H107-F418 AromaticContact NE2-CD2 3.64Å
108S95.8Very high92.6Very high0 Ų020.2 Ų20.20%013%0.13CC..EExtended strand (participates in β ladder)trans-145.9165.2-160.4-42.70000113.4Y97 F127 T128 S129Y97-S108 PolarHBondContact N-O 2.85Å; Y97-S108 PolarHBondContact O-N 2.86Å; S108-F127 VanDerWaalsContact CB-CE1 3.42Å; S108-F127 WeakPolarHBondContact OG-CE1 3.4Å; S108-T128 VanDerWaalsContact CA-O 3.24Å; S108-T128 WeakPolarHBondContact CA-O 3.39Å; S108-T128 VanDerWaalsContact CB-O 3.31Å; S108-T128 WeakPolarHBondContact CB-O 3.5Å; S108-S129 WeakPolarHBondContact OG-CA 3.27Å; S108-S129 WeakPolarHBondContact OG-CB 3.2Å; S108-S129 PolarHBondContact OG-OG 3.45Å
109T97.8Very high92.9Very high0 Ų019.9 Ų19.90%013%0.128CC..EExtended strand (participates in β ladder)trans-141.2165.6167.3-168.50000109.8P93 V94 S95 F111 T128 F418P93-T109 HydrophobicContact CB-CG2 3.86Å; V94-T109 PolarHBondContact N-OG1 2.76Å; V94-T109 PolarHBondContact O-OG1 2.8Å; S95-T109 WeakPolarHBondContact O-CB 3.4Å; S95-T109 PolarHBondContact O-OG1 3.05Å; T109-F111 HydrophobicContact CG2-CD2 4.19Å; T109-F111 HydrophobicContact CG2-CE2 3.73Å; T109-F111 HydrophobicContact CG2-CZ 4.09Å; T109-T128 PolarHBondContact N-O 3.4Å; T109-T128 VanDerWaalsContact N-O 3.09Å; T109-T128 PolarHBondContact O-N 2.9Å; T109-F418 HydrophobicContact CG2-CE1 3.8Å; T109-F418 HydrophobicContact CG2-CZ 3.63Å
110A98.3Very high93.1Very high0 Ų020.9 Ų20.90%014%0.136CC..EExtended strand (participates in β ladder)trans-106119.5172.900000110.6Y92 V94 Y97 F388Y92-A110 VanDerWaalsContact O-O 3.05Å; V94-A110 PolarHBondContact N-O 2.82Å; V94-A110 PolarHBondContact O-N 2.67Å; V94-A110 VanDerWaalsContact O-N 3.14Å; Y97-A110 HydrophobicContact CE2-CB 4.4Å; A110-F388 HydrophobicContact CB-CD2 3.72Å; A110-F388 HydrophobicContact CB-CE2 3.52Å
111F98.8Very high93.5Very high0 Ų024.3 Ų24.30%014%0.144CC..EExtended strand (participates in β ladder)trans-82.9116.4169.5-69.8-86.3000109.8L79 R83 F86 M91 Y92 P93 T109 R125 V126 T128 L422L79-F111 HydrophobicContact CD1-CE2 4.25Å; L79-F111 HydrophobicContact CD1-CZ 4.34Å; R83-F111 HydrophobicContact CB-CE1 3.73Å; R83-F111 HydrophobicContact CB-CZ 3.97Å; R83-F111 HydrophobicContact CG-CE1 4Å; F86-F111 HydrophobicContact CB-CB 4.11Å; F86-F111 HydrophobicContact CB-CD1 3.78Å; F86-F111 HydrophobicContact CB-CE1 4.48Å; F86-F111 HydrophobicContact CB-CG 4.06Å; F86-F111 HydrophobicContact CD2-CB 3.74Å; F86-F111 AromaticContact CD2-CD1 3.7Å; F86-F111 HydrophobicContact CD2-CD1 3.7Å; F86-F111 AromaticContact CD2-CD2 3.53Å; F86-F111 HydrophobicContact CD2-CD2 3.53Å; F86-F111 HydrophobicContact CD2-CE1 4.15Å; F86-F111 AromaticContact CD2-CE2 3.97Å; F86-F111 HydrophobicContact CD2-CE2 3.97Å; F86-F111 AromaticContact CD2-CG 3.35Å; F86-F111 HydrophobicContact CD2-CG 3.35Å; F86-F111 HydrophobicContact CD2-CZ 4.25Å; F86-F111 HydrophobicContact CE2-CB 4.32Å; F86-F111 AromaticContact CE2-CD2 3.79Å; F86-F111 HydrophobicContact CE2-CD2 3.79Å; F86-F111 HydrophobicContact CE2-CE2 4.24Å; F86-F111 HydrophobicContact CE2-CG 4.03Å; F86-F111 HydrophobicContact CG-CB 3.91Å; F86-F111 HydrophobicContact CG-CD1 4.11Å; F86-F111 HydrophobicContact CG-CD2 4.5Å; F86-F111 AromaticContact CG-CG 3.92Å; F86-F111 HydrophobicContact CG-CG 3.92Å; M91-F111 HydrophobicContact CB-CB 4.22Å; M91-F111 HydrophobicContact CE-CB 4.19Å; M91-F111 WeakPolarHBondContact CE-O 3.36Å; Y92-F111 VanDerWaalsContact O-CA 3.31Å; Y92-F111 WeakPolarHBondContact O-CA 3.21Å; P93-F111 HydrophobicContact CB-CD1 4.23Å; P93-F111 HydrophobicContact CB-CE1 3.84Å; P93-F111 HydrophobicContact CB-CZ 4.28Å; P93-F111 HydrophobicContact CG-CE1 4.23Å; T109-F111 HydrophobicContact CG2-CD2 4.19Å; T109-F111 HydrophobicContact CG2-CE2 3.73Å; T109-F111 HydrophobicContact CG2-CZ 4.09Å; F111-R125 CarbonylContact O-C 3.4Å; F111-R125 WeakPolarHBondContact O-CA 3.5Å; F111-V126 PolarHBondContact N-O 3.21Å; F111-V126 PolarHBondContact O-N 2.74Å; F111-T128 WeakPolarHBondContact CD2-OG1 3.04Å; F111-T128 HydrophobicContact CE2-CG2 4.03Å; F111-L422 HydrophobicContact CE1-CD1 4.29Å; F111-L422 HydrophobicContact CZ-CD1 3.72Å
112R98.8Very high94.3Very high3 Ų321.4 Ų21.41%0.01113%0.131CC..EExtended strand (participates in β ladder)trans-153.9161.9-177.568.1169179.686.1-15.2114.3M91 Y92 V94 R125 E386 D387M91-R112 WeakPolarHBondContact CA-O 3.14Å; Y92-R112 PolarHBondContact N-O 3.42Å; Y92-R112 PolarHBondContact O-N 3.37Å; V94-R112 HydrophobicContact CB-CG 4.19Å; V94-R112 HydrophobicContact CG2-CG 3.69Å; R112-R125 HydrophobicContact CB-CB 4.16Å; R112-R125 HydrophobicContact CB-CG 3.42Å; R112-R125 VanDerWaalsContact CB-CG 3.42Å; R112-R125 HydrophobicContact CG-CG 4.4Å; R112-E386 WeakPolarHBondContact CD-O 3.34Å; R112-D387 IonicContact CZ-OD1 3.57Å; R112-D387 IonicContact CZ-OD2 2.71Å; R112-D387 IonicContact NE-OD1 3.46Å; R112-D387 PolarHBondContact NE-OD1 2.95Å; R112-D387 IonicContact NE-OD2 2.76Å; R112-D387 IonicContact NH2-OD1 3.69Å; R112-D387 PolarHBondContact NH2-OD1 3.09Å; R112-D387 VanDerWaalsContact NH2-OD1 3.09Å; R112-D387 IonicContact NH2-OD2 2.79Å; R112-D387 PolarHBondContact NH2-OD2 2.91Å
113P98.6Very high95.3Very high1 Ų120.7 Ų20.71%0.00613%0.125CC..  trans-65.8153.6168.8-16.632.7000111G90 M91 L119 F124G90-P113 WeakPolarHBondContact O-CA 3.42Å; M91-P113 HydrophobicContact CG-CG 4.44Å; P113-L119 HydrophobicContact CB-CD2 4.02Å; P113-L119 HydrophobicContact CB-CG 4.17Å; P113-L119 HydrophobicContact CG-CD2 4.38Å; P113-L119 WeakPolarHBondContact O-CD2 3.33Å; P113-F124 WeakPolarHBondContact CD-O 2.79Å
114I98.4Very high96Very high56 Ų5618.9 Ų18.929%0.28711%0.107SC..  trans-124.7-15.6-178.264.2175.5000113.3Y92 V94 L427 L432Y92-I114 HydrophobicContact CD2-CD1 4.02Å; Y92-I114 HydrophobicContact CD2-CG1 3.95Å; Y92-I114 HydrophobicContact CD2-CG2 4.25Å; Y92-I114 HydrophobicContact CE2-CD1 4.37Å; Y92-I114 HydrophobicContact CE2-CG1 4.22Å; V94-I114 HydrophobicContact CG2-CG2 3.83Å; I114-L427 HydrophobicContact CD1-CD1 3.94Å; I114-L427 HydrophobicContact CG2-CD1 4.05Å; I114-L432 HydrophobicContact CB-CD1 4.19Å; I114-L432 HydrophobicContact CB-CD2 4.23Å; I114-L432 HydrophobicContact CD1-CD2 4.39Å; I114-L432 HydrophobicContact CG2-CD1 3.67Å; I114-L432 HydrophobicContact CG2-CD2 4.45Å
115D95.3Very high96.6Very high67 Ų6718.9 Ų18.936%0.35811%0.106SC..SBendtrans-81.8144.6176.1-179.372.9000111.6A117 S118 L119D115-A117 PolarHBondContact O-N 2.82Å; D115-A117 WeakPolarHBondContact OD2-CA 3.4Å; D115-A117 WeakPolarHBondContact OD2-CB 3.21Å; D115-A117 PolarHBondContact OD2-N 2.95Å; D115-S118 PolarHBondContact O-N 3.43Å; D115-S118 PolarHBondContact OD2-N 2.83Å; D115-L119 WeakPolarHBondContact O-CB 3.38Å; D115-L119 WeakPolarHBondContact O-CG 3.36Å; D115-L119 PolarHBondContact O-N 3.18Å
116D94.2Very high96.8Very high23 Ų2318.5 Ų18.512%0.12310%0.104CC..Hα-helixtrans-58.4-45.5-178.8-73.4-38.7000111.6A120 R349 R439 R443D116-A120 WeakPolarHBondContact O-CB 3.49Å; D116-A120 PolarHBondContact O-N 3.42Å; D116-R349 IonicContact OD1-CZ 3.14Å; D116-R349 IonicContact OD1-NE 3.36Å; D116-R349 IonicContact OD1-NH2 2.78Å; D116-R349 PolarHBondContact OD1-NH2 2.97Å; D116-R439 IonicContact OD1-NH1 3.29Å; D116-R439 IonicContact OD2-CZ 3.92Å; D116-R439 IonicContact OD2-NH1 3.64Å; D116-R439 PolarHBondContact OD2-NH1 3.37Å; D116-R443 IonicContact OD2-NH1 3.34Å; D116-R443 IonicContact OD2-NH2 3.09Å
117A94.7Very high97Very high65 Ų6518.7 Ų18.754%0.53711%0.105SC..Hα-helixtrans-73.7-38.4-177.300000111.2D115 L119 A120 R121D115-A117 PolarHBondContact O-N 2.82Å; D115-A117 WeakPolarHBondContact OD2-CA 3.4Å; D115-A117 WeakPolarHBondContact OD2-CB 3.21Å; D115-A117 PolarHBondContact OD2-N 2.95Å; A117-L119 PolarHBondContact O-N 3.46Å; A117-A120 PolarHBondContact O-N 2.78Å; A117-R121 WeakPolarHBondContact O-CB 3.34Å; A117-R121 PolarHBondContact O-N 3.37Å
118S96.8Very high97.1Very high22 Ų2218.2 Ų18.215%0.15410%0.103CC..Hα-helixtrans-62.4-41.4175-64.70000112.4D8 R11 D115 N122D8-S118 VanDerWaalsContact CG-OG 3.3Å; D8-S118 VanDerWaalsContact OD1-CB 3.32Å; D8-S118 WeakPolarHBondContact OD1-CB 3.21Å; D8-S118 PolarHBondContact OD1-OG 3.25Å; D8-S118 WeakPolarHBondContact OD2-CA 3.18Å; D8-S118 WeakPolarHBondContact OD2-CB 3.33Å; D8-S118 PolarHBondContact OD2-OG 2.96Å; R11-S118 PolarHBondContact NH2-O 2.68Å; D115-S118 PolarHBondContact O-N 3.43Å; D115-S118 PolarHBondContact OD2-N 2.83Å; S118-N122 CarbonylContact O-C 3.08Å; S118-N122 PolarHBondContact O-N 2.81Å; S118-N122 VanDerWaalsContact O-N 3.07Å
119L97.1Very high97.2Very high13 Ų1318.2 Ų18.27%0.06810%0.103CC..Hα-helixtrans-67.9-40.8174-75.7169.2000112.2R62 P113 D115 A117 R121 P123 E386R62-L119 PolarHBondContact NH1-O 3.47Å; P113-L119 HydrophobicContact CB-CD2 4.02Å; P113-L119 HydrophobicContact CB-CG 4.17Å; P113-L119 HydrophobicContact CG-CD2 4.38Å; P113-L119 WeakPolarHBondContact O-CD2 3.33Å; D115-L119 WeakPolarHBondContact O-CB 3.38Å; D115-L119 WeakPolarHBondContact O-CG 3.36Å; D115-L119 PolarHBondContact O-N 3.18Å; A117-L119 PolarHBondContact O-N 3.46Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 3.03Å; L119-P123 HydrophobicContact CD2-CB 4.07Å; L119-P123 WeakPolarHBondContact O-CB 3.36Å; L119-E386 HydrophobicContact CD1-CG 3.93Å; L119-E386 HydrophobicContact CD2-CG 4.03Å
120A94.9Very high97.2Very high22 Ų2218.8 Ų18.818%0.18211%0.105CC..Hα-helixtrans-64.1-32.8176.900000112.8R62 D116 A117R62-A120 WeakPolarHBondContact CB-O 3.48Å; D116-A120 WeakPolarHBondContact O-CB 3.49Å; D116-A120 PolarHBondContact O-N 3.42Å; A117-A120 PolarHBondContact O-N 2.78Å
121R94.9Very high97.1Very high104 Ų10419.1 Ų19.139%0.39211%0.107SC..Hα-helixtrans-76.9-57.9177-178.3173179.8161.78.5112.6E9 E12 A117 L119E9-R121 IonicContact OE1-CZ 2.75Å; E9-R121 IonicContact OE1-NH1 3.3Å; E9-R121 IonicContact OE1-NH2 3.03Å; E9-R121 PolarHBondContact OE1-NH2 3.47Å; E12-R121 IonicContact OE2-CZ 3.72Å; E12-R121 IonicContact OE2-NE 2.77Å; E12-R121 PolarHBondContact OE2-NE 3.01Å; E12-R121 IonicContact OE2-NH2 3.92Å; A117-R121 WeakPolarHBondContact O-CB 3.34Å; A117-R121 PolarHBondContact O-N 3.37Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 3.03Å
122N97.3Very high97Very high1 Ų120.7 Ų20.71%0.00511%0.113CC..  trans-151.9106.2-179.8-169.9-64.4000110R11 E12 S118 F124R11-N122 PolarHBondContact NE-O 2.79Å; R11-N122 PolarHBondContact NH2-O 3.03Å; R11-N122 VanDerWaalsContact NH2-O 3.08Å; E12-N122 HydrophobicContact CB-CB 4.24Å; S118-N122 CarbonylContact O-C 3.08Å; S118-N122 PolarHBondContact O-N 2.81Å; S118-N122 VanDerWaalsContact O-N 3.07Å; N122-F124 VanDerWaalsContact C-N 3.27Å; N122-F124 PolarHBondContact O-N 2.77Å; N122-F124 WeakPolarHBondContact OD1-CB 3.49Å; N122-F124 PolarHBondContact OD1-N 2.89Å; N122-F124 VanDerWaalsContact OD1-N 3.13Å
123P98Very high96.9Very high0 Ų022.2 Ų22.20%012%0.121CC..  trans-90.628.3-173.540.1-43.1000113.1R62 E66 L119 R125R62-P123 HydrophobicContact CB-CG 4.2Å; E66-P123 HydrophobicContact CB-CG 3.93Å; E66-P123 HydrophobicContact CG-CG 3.59Å; L119-P123 HydrophobicContact CD2-CB 4.07Å; L119-P123 WeakPolarHBondContact O-CB 3.36Å; P123-R125 WeakPolarHBondContact O-CD 3.44Å; P123-R125 WeakPolarHBondContact O-CG 3.19Å; P123-R125 PolarHBondContact O-N 3.22Å; P123-R125 PolarHBondContact O-NE 2.82Å; P123-R125 PolarHBondContact O-NH1 3.34Å; P123-R125 PolarHBondContact O-NH2 2.5Å
124F98.6Very high96.7Very high0 Ų026.8 Ų26.80%014%0.142CC..  trans-55.6129.6-176.2-176.5-115000112.2R11 F14 S15 M18 R67 M91 P113 N122 V126 L225R11-F124 HydrophobicContact CG-CB 3.98Å; R11-F124 HydrophobicContact CG-CD1 4.38Å; F14-F124 HydrophobicContact CD1-CD1 4.28Å; F14-F124 AromaticContact CD1-CE1 3.76Å; F14-F124 HydrophobicContact CD1-CE1 3.76Å; F14-F124 AromaticContact CE1-CE1 3.77Å; F14-F124 HydrophobicContact CE1-CE1 3.77Å; F14-F124 HydrophobicContact CE1-CZ 4.47Å; S15-F124 WeakPolarHBondContact OG-CD2 3.42Å; M18-F124 HydrophobicContact CE-CZ 4.49Å; M18-F124 HydrophobicContact SD-CE1 4.43Å; M18-F124 HydrophobicContact SD-CE2 4.4Å; M18-F124 HydrophobicContact SD-CZ 3.6Å; M18-F124 VanDerWaalsContact SD-CZ 3.6Å; R67-F124 HydrophobicContact CB-CD2 4.17Å; R67-F124 HydrophobicContact CB-CE2 4.39Å; M91-F124 HydrophobicContact CE-CD1 3.84Å; M91-F124 HydrophobicContact CE-CE1 4.16Å; M91-F124 HydrophobicContact SD-CD1 4.03Å; P113-F124 WeakPolarHBondContact CD-O 2.79Å; N122-F124 VanDerWaalsContact C-N 3.27Å; N122-F124 PolarHBondContact O-N 2.77Å; N122-F124 WeakPolarHBondContact OD1-CB 3.49Å; N122-F124 PolarHBondContact OD1-N 2.89Å; N122-F124 VanDerWaalsContact OD1-N 3.13Å; F124-V126 HydrophobicContact CD1-CG2 4.35Å; F124-V126 HydrophobicContact CE1-CG2 3.46Å; F124-V126 VanDerWaalsContact CE1-CG2 3.46Å; F124-V126 HydrophobicContact CZ-CG2 3.62Å; F124-L225 HydrophobicContact CE2-CD1 4.04Å
125R98.6Very high96.5Very high0 Ų027.5 Ų27.50%015%0.146CC..EExtended strand (participates in β ladder)trans-123.4146.8-179-64.3135.6-60.9-1395110E66 R67 H68 G69 F111 R112 P123 E386 F388E66-R125 IonicContact OE1-CZ 3Å; E66-R125 IonicContact OE1-NH1 3.8Å; E66-R125 PolarHBondContact OE1-NH1 3Å; E66-R125 IonicContact OE1-NH2 3.21Å; E66-R125 PolarHBondContact OE1-NH2 2.89Å; R67-R125 PolarHBondContact O-N 3.01Å; R67-R125 PolarHBondContact O-NH2 3.08Å; H68-R125 CarbonylContact C-O 3.56Å; H68-R125 WeakPolarHBondContact CA-O 3.4Å; H68-R125 HydrophobicContact CB-CB 4.03Å; G69-R125 PolarHBondContact N-O 2.78Å; F111-R125 CarbonylContact O-C 3.4Å; F111-R125 WeakPolarHBondContact O-CA 3.5Å; R112-R125 HydrophobicContact CB-CB 4.16Å; R112-R125 HydrophobicContact CB-CG 3.42Å; R112-R125 VanDerWaalsContact CB-CG 3.42Å; R112-R125 HydrophobicContact CG-CG 4.4Å; P123-R125 WeakPolarHBondContact O-CD 3.44Å; P123-R125 WeakPolarHBondContact O-CG 3.19Å; P123-R125 PolarHBondContact O-N 3.22Å; P123-R125 PolarHBondContact O-NE 2.82Å; P123-R125 PolarHBondContact O-NH1 3.34Å; P123-R125 PolarHBondContact O-NH2 2.5Å; R125-E386 WeakPolarHBondContact CD-O 3.48Å; R125-E386 IonicContact NH1-OE2 3.25Å; R125-E386 PolarHBondContact NH1-OE2 3.33Å; R125-F388 HydrophobicContact CB-CE2 4.37Å; R125-F388 HydrophobicContact CB-CZ 4.22Å
126V98.4Very high96.4Very high1 Ų124.3 Ų24.31%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-126.7114.9170.5-1790000110G69 I71 F86 M91 F111 F124 T128G69-V126 CarbonylContact O-C 3.54Å; G69-V126 VanDerWaalsContact O-CA 3.31Å; G69-V126 WeakPolarHBondContact O-CA 3.13Å; I71-V126 HydrophobicContact CD1-CG1 3.79Å; I71-V126 HydrophobicContact CG1-CG1 3.73Å; I71-V126 HydrophobicContact CG2-CG1 4.35Å; F86-V126 HydrophobicContact CE1-CB 4.27Å; F86-V126 HydrophobicContact CE1-CG2 3.98Å; F86-V126 HydrophobicContact CE2-CB 4.47Å; F86-V126 HydrophobicContact CE2-CG1 4.36Å; F86-V126 HydrophobicContact CZ-CB 3.95Å; F86-V126 HydrophobicContact CZ-CG1 3.85Å; F86-V126 HydrophobicContact CZ-CG2 4.08Å; M91-V126 HydrophobicContact CE-CB 4.27Å; M91-V126 HydrophobicContact CE-CG2 3.86Å; F111-V126 PolarHBondContact N-O 3.21Å; F111-V126 PolarHBondContact O-N 2.74Å; F124-V126 HydrophobicContact CD1-CG2 4.35Å; F124-V126 HydrophobicContact CE1-CG2 3.46Å; F124-V126 VanDerWaalsContact CE1-CG2 3.46Å; F124-V126 HydrophobicContact CZ-CG2 3.62Å; V126-T128 PolarHBondContact O-N 2.92Å
127F97.2Very high96.2Very high5 Ų531.6 Ų31.62%0.02216%0.163CC..EExtended strand (participates in β ladder)trans-77.7110.7171.6-168.8-92.2000109.3G69 A70 I71 Y97 L99 S108 S129 F388 A393 F397G69-F127 PolarHBondContact O-N 3.34Å; A70-F127 WeakPolarHBondContact CA-O 3.38Å; A70-F127 HydrophobicContact CB-CB 4.28Å; I71-F127 PolarHBondContact N-O 3.2Å; Y97-F127 HydrophobicContact CD1-CE2 4.16Å; Y97-F127 HydrophobicContact CD2-CD2 4.48Å; Y97-F127 AromaticContact CD2-CE2 3.55Å; Y97-F127 HydrophobicContact CD2-CE2 3.55Å; Y97-F127 HydrophobicContact CD2-CZ 4.12Å; Y97-F127 HydrophobicContact CE1-CE2 4.38Å; Y97-F127 HydrophobicContact CE2-CD2 4.44Å; Y97-F127 AromaticContact CE2-CE2 3.83Å; Y97-F127 HydrophobicContact CE2-CE2 3.83Å; Y97-F127 AromaticContact CG-CE2 3.73Å; Y97-F127 HydrophobicContact CG-CE2 3.73Å; Y97-F127 HydrophobicContact CG-CZ 4.01Å; L99-F127 HydrophobicContact CD1-CZ 4.25Å; S108-F127 VanDerWaalsContact CB-CE1 3.42Å; S108-F127 WeakPolarHBondContact OG-CE1 3.4Å; F127-S129 WeakPolarHBondContact CE1-OG 3.16Å; F127-F388 HydrophobicContact CB-CE1 4.16Å; F127-F388 HydrophobicContact CB-CE2 4.2Å; F127-F388 HydrophobicContact CB-CZ 3.92Å; F127-F388 HydrophobicContact CD2-CB 4.22Å; F127-F388 HydrophobicContact CD2-CD1 4.14Å; F127-F388 AromaticContact CD2-CD2 3.66Å; F127-F388 HydrophobicContact CD2-CD2 3.66Å; F127-F388 HydrophobicContact CD2-CE1 4.44Å; F127-F388 HydrophobicContact CD2-CE2 4.01Å; F127-F388 AromaticContact CD2-CG 3.72Å; F127-F388 HydrophobicContact CD2-CG 3.72Å; F127-F388 HydrophobicContact CD2-CZ 4.38Å; F127-F388 HydrophobicContact CE2-CB 4.22Å; F127-F388 HydrophobicContact CE2-CD2 4.36Å; F127-F388 HydrophobicContact CE2-CG 4.23Å; F127-A393 HydrophobicContact CZ-CB 4.17Å; F127-F397 HydrophobicContact CD1-CE2 4.1Å; F127-F397 AromaticContact CD1-CZ 3.89Å; F127-F397 HydrophobicContact CD1-CZ 3.89Å; F127-F397 AromaticContact CE1-CE2 3.55Å; F127-F397 HydrophobicContact CE1-CE2 3.55Å; F127-F397 AromaticContact CE1-CZ 3.64Å; F127-F397 HydrophobicContact CE1-CZ 3.64Å; F127-F397 HydrophobicContact CZ-CE2 4.38Å
128T97.9Very high96.2Very high0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-112.6116.4-172.6-60.80000109.8I71 V73 L79 L82 S108 T109 F111 V126I71-T128 HydrophobicContact CD1-CG2 4.13Å; I71-T128 HydrophobicContact CG1-CG2 4.07Å; V73-T128 HydrophobicContact CG2-CG2 4.25Å; L79-T128 HydrophobicContact CD1-CG2 3.72Å; L82-T128 HydrophobicContact CD1-CG2 3.98Å; S108-T128 VanDerWaalsContact CA-O 3.24Å; S108-T128 WeakPolarHBondContact CA-O 3.39Å; S108-T128 VanDerWaalsContact CB-O 3.31Å; S108-T128 WeakPolarHBondContact CB-O 3.5Å; T109-T128 PolarHBondContact N-O 3.4Å; T109-T128 VanDerWaalsContact N-O 3.09Å; T109-T128 PolarHBondContact O-N 2.9Å; F111-T128 WeakPolarHBondContact CD2-OG1 3.04Å; F111-T128 HydrophobicContact CE2-CG2 4.03Å; V126-T128 PolarHBondContact O-N 2.92Å
129S96.4Very high96.2Very high0 Ų036.5 Ų36.50%017%0.174CC..EExtended strand (participates in β ladder)trans-103.6134.8179.6-520000111.2I71 R72 V73 S108 F127I71-S129 PolarHBondContact O-N 3.41Å; R72-S129 CarbonylContact C-O 3.5Å; R72-S129 WeakPolarHBondContact CA-O 3.28Å; V73-S129 WeakPolarHBondContact CG2-O 3.08Å; V73-S129 PolarHBondContact N-O 3.38Å; S108-S129 WeakPolarHBondContact OG-CA 3.27Å; S108-S129 WeakPolarHBondContact OG-CB 3.2Å; S108-S129 PolarHBondContact OG-OG 3.45Å; F127-S129 WeakPolarHBondContact CE1-OG 3.16Å
130L97.7Very high96.2Very high11 Ų1142.1 Ų42.16%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-100.4126.2171.5174.261.4000109.7V73 T75 L79 V106 H107 F418 A421V73-L130 HydrophobicContact CG2-CB 4.4Å; V73-L130 HydrophobicContact CG2-CD1 4.13Å; T75-L130 WeakPolarHBondContact O-CD1 3.38Å; L79-L130 HydrophobicContact CD2-CB 4.26Å; L79-L130 HydrophobicContact CD2-CD2 3.9Å; V106-L130 VanDerWaalsContact CA-O 3.27Å; V106-L130 WeakPolarHBondContact CA-O 3.28Å; V106-L130 WeakPolarHBondContact CB-O 3.46Å; H107-L130 PolarHBondContact CD2-O 2.94Å; H107-L130 PolarHBondContact N-O 3.47Å; H107-L130 PolarHBondContact O-N 3.24Å; L130-F418 HydrophobicContact CB-CD2 4.49Å; L130-F418 HydrophobicContact CB-CE2 4.15Å; L130-A421 HydrophobicContact CD2-CB 3.79Å
131L96.7Very high96.3Very high7 Ų742 Ų424%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-65.6131173.2-179.866.7000111V73 P105 V106 L133 L149 L210 I211 V214 V215V73-L131 PolarHBondContact O-N 3.46Å; P105-L131 HydrophobicContact CB-CD1 4.48Å; P105-L131 HydrophobicContact CG-CD1 4.2Å; V106-L131 HydrophobicContact CG1-CD1 4.49Å; L131-L133 HydrophobicContact CD2-CD2 3.58Å; L131-L133 HydrophobicContact CG-CD2 4.05Å; L131-L149 HydrophobicContact CD2-CD1 4.32Å; L131-L210 HydrophobicContact CD1-CD2 3.8Å; L131-I211 HydrophobicContact CD1-CG1 4.1Å; L131-V214 HydrophobicContact CB-CG1 4.18Å; L131-V214 HydrophobicContact CD2-CB 4.22Å; L131-V214 HydrophobicContact CD2-CG1 4Å; L131-V215 HydrophobicContact CD2-CG2 3.92Å
132R96.3Very high96.4Very high34 Ų3441 Ų4113%0.12820%0.195CC..  trans-99.388.3177.7-65.7-175.265.6-165.7-5.9109.8D98 S100 P105 E134 L135D98-R132 IonicContact OD1-NH1 3.56Å; S100-R132 PolarHBondContact OG-NH1 2.9Å; P105-R132 WeakPolarHBondContact O-CB 3.24Å; P105-R132 PolarHBondContact O-N 3.3Å; R132-E134 WeakPolarHBondContact CA-OE2 3.1Å; R132-E134 WeakPolarHBondContact CB-OE2 3.48Å; R132-E134 IonicContact CZ-OE1 2.7Å; R132-E134 VanDerWaalsContact CZ-OE1 3.22Å; R132-E134 IonicContact NE-OE1 2.81Å; R132-E134 PolarHBondContact NE-OE1 3.48Å; R132-E134 IonicContact NH2-OE1 3.22Å; R132-E134 PolarHBondContact NH2-OE1 2.92Å; R132-E134 PolarHBondContact O-N 3.17Å; R132-L135 HydrophobicContact CB-CB 4.48Å; R132-L135 HydrophobicContact CB-CD1 3.84Å; R132-L135 HydrophobicContact CB-CG 3.97Å; R132-L135 WeakPolarHBondContact O-CB 3.46Å; R132-L135 PolarHBondContact O-N 3.4Å
133L96.2Very high96.5Very high34 Ų3446.6 Ų46.618%0.17822%0.221CC..G310 helixtrans-58.7-29-177.5-64.4178000112.6L131 L135 I136 R142 A145 A146 L149L131-L133 HydrophobicContact CD2-CD2 3.58Å; L131-L133 HydrophobicContact CG-CD2 4.05Å; L133-L135 PolarHBondContact O-N 3.1Å; L133-L135 VanDerWaalsContact O-N 3.16Å; L133-I136 HydrophobicContact CD2-CD1 3.67Å; L133-I136 WeakPolarHBondContact O-CB 3.49Å; L133-I136 WeakPolarHBondContact O-CG1 3.23Å; L133-I136 PolarHBondContact O-N 3.42Å; L133-R142 HydrophobicContact CB-CG 4.35Å; L133-R142 WeakPolarHBondContact O-CD 3.49Å; L133-R142 VanDerWaalsContact O-CG 3.29Å; L133-R142 WeakPolarHBondContact O-CG 3.42Å; L133-R142 PolarHBondContact O-NE 2.77Å; L133-A145 HydrophobicContact CD2-CB 3.98Å; L133-A146 HydrophobicContact CD1-CB 3.93Å; L133-L149 HydrophobicContact CD1-CD1 4.11Å; L133-L149 HydrophobicContact CD2-CD1 3.96Å; L133-L149 HydrophobicContact CG-CD1 4.45Å
134E94.7Very high96.4Very high97 Ų9750.3 Ų50.345%0.45324%0.237SC..G310 helixtrans-64-16.217776.5-78.7-170.400113.8R132 R142R132-E134 WeakPolarHBondContact CA-OE2 3.1Å; R132-E134 WeakPolarHBondContact CB-OE2 3.48Å; R132-E134 IonicContact CZ-OE1 2.7Å; R132-E134 VanDerWaalsContact CZ-OE1 3.22Å; R132-E134 IonicContact NE-OE1 2.81Å; R132-E134 PolarHBondContact NE-OE1 3.48Å; R132-E134 IonicContact NH2-OE1 3.22Å; R132-E134 PolarHBondContact NH2-OE1 2.92Å; R132-E134 PolarHBondContact O-N 3.17Å; E134-R142 PolarHBondContact O-NH2 3.15Å
135L93.9Very high96.4Very high71 Ų7150.3 Ų50.337%0.37224%0.237SC..G310 helixtrans-89.9-2.1175-60.5-178.3000113.6P105 R132 L133 E137P105-L135 HydrophobicContact CB-CB 3.95Å; P105-L135 HydrophobicContact CB-CD1 4.26Å; R132-L135 HydrophobicContact CB-CB 4.48Å; R132-L135 HydrophobicContact CB-CD1 3.84Å; R132-L135 HydrophobicContact CB-CG 3.97Å; R132-L135 WeakPolarHBondContact O-CB 3.46Å; R132-L135 PolarHBondContact O-N 3.4Å; L133-L135 PolarHBondContact O-N 3.1Å; L133-L135 VanDerWaalsContact O-N 3.16Å; L135-E137 PolarHBondContact O-N 3.3Å
136I93.4Very high96.4Very high1 Ų152.1 Ų52.11%0.00525%0.252CS..  trans-77.8115.4172.3-59.8-176.5000108.1L133 L141 R142 A145 E207 I211L133-I136 HydrophobicContact CD2-CD1 3.67Å; L133-I136 WeakPolarHBondContact O-CB 3.49Å; L133-I136 WeakPolarHBondContact O-CG1 3.23Å; L133-I136 PolarHBondContact O-N 3.42Å; I136-L141 HydrophobicContact CG2-CB 4.36Å; I136-R142 HydrophobicContact CB-CB 4.07Å; I136-R142 HydrophobicContact CB-CG 4.27Å; I136-R142 HydrophobicContact CG2-CB 3.99Å; I136-R142 PolarHBondContact O-NE 3.32Å; I136-R142 PolarHBondContact O-NH2 2.83Å; I136-A145 HydrophobicContact CD1-CB 4.21Å; I136-E207 HydrophobicContact CG2-CG 4.03Å; I136-I211 HydrophobicContact CD1-CD1 3.95Å; I136-I211 HydrophobicContact CD1-CG1 4.29Å; I136-I211 HydrophobicContact CD1-CG2 4.01Å; I136-I211 HydrophobicContact CG1-CD1 3.71Å; I136-I211 HydrophobicContact CG1-CG1 4.4Å
137E91.1Very high96.3Very high175 Ų17555.8 Ų55.882%0.81827%0.269SS*.SBendtrans-68.2-43-172.6-65.6-172.5178.200111.7L135 E139 E207L135-E137 PolarHBondContact O-N 3.3Å; E137-E139 PolarHBondContact O-N 3.47Å; E137-E207 PolarHBondContact N-OE1 3.5Å
138N95Very high96.3Very high65 Ų6556.7 Ų56.735%0.34827%0.274SS..  trans-73.1109180-174-41.3000111.5I140 L141 R142 E207N138-I140 VanDerWaalsContact C-N 3.3Å; N138-I140 PolarHBondContact O-N 2.94Å; N138-I140 WeakPolarHBondContact OD1-CB 3.45Å; N138-I140 PolarHBondContact OD1-N 3.01Å; N138-L141 HydrophobicContact CB-CB 4.03Å; N138-L141 HydrophobicContact CB-CD1 4.01Å; N138-L141 HydrophobicContact CB-CG 4.06Å; N138-L141 PolarHBondContact O-N 3.18Å; N138-L141 PolarHBondContact OD1-N 2.93Å; N138-L141 VanDerWaalsContact OD1-N 3.1Å; N138-R142 WeakPolarHBondContact O-CB 3.12Å; N138-R142 PolarHBondContact O-N 3.43Å; N138-E207 PolarHBondContact N-OE1 3.19Å
139E96.5Very high96.4Very high126 Ų12656.8 Ų56.859%0.58928%0.275SS*.Hα-helixtrans-59.9-36.8-177.5-170.4178.1-178.400113.4E137 R142 Q143E137-E139 PolarHBondContact O-N 3.47Å; E139-R142 WeakPolarHBondContact O-CB 3.42Å; E139-R142 PolarHBondContact O-N 2.88Å; E139-Q143 WeakPolarHBondContact O-CG 3.36Å; E139-Q143 PolarHBondContact O-N 3.46Å
140I96.9Very high96.4Very high130 Ų13064.6 Ų64.667%0.66730%0.304SS*.Hα-helixtrans-66-45.8178.4-59172.2000109.7N138 R142 Q143 K144N138-I140 VanDerWaalsContact C-N 3.3Å; N138-I140 PolarHBondContact O-N 2.94Å; N138-I140 WeakPolarHBondContact OD1-CB 3.45Å; N138-I140 PolarHBondContact OD1-N 3.01Å; I140-R142 VanDerWaalsContact C-N 3.35Å; I140-Q143 PolarHBondContact O-N 3.2Å; I140-K144 WeakPolarHBondContact O-CB 2.98Å; I140-K144 PolarHBondContact O-N 2.9Å
141L96.7Very high96.3Very high19 Ų1970.4 Ų70.410%0.09933%0.331CS..Hα-helixtrans-66.8-37.2176.6-66.5-178000112I136 N138 K144 A145 A203 L204 E207I136-L141 HydrophobicContact CG2-CB 4.36Å; N138-L141 HydrophobicContact CB-CB 4.03Å; N138-L141 HydrophobicContact CB-CD1 4.01Å; N138-L141 HydrophobicContact CB-CG 4.06Å; N138-L141 PolarHBondContact O-N 3.18Å; N138-L141 PolarHBondContact OD1-N 2.93Å; N138-L141 VanDerWaalsContact OD1-N 3.1Å; L141-K144 PolarHBondContact O-N 2.74Å; L141-A145 VanDerWaalsContact O-CB 3.3Å; L141-A145 WeakPolarHBondContact O-CB 3.42Å; L141-A145 PolarHBondContact O-N 3.17Å; L141-A203 HydrophobicContact CD1-CB 4.26Å; L141-A203 HydrophobicContact CD2-CB 3.67Å; L141-L204 HydrophobicContact CB-CD2 4.37Å; L141-E207 HydrophobicContact CD1-CB 4.23Å
142R97.8Very high96.3Very high85 Ų8571.9 Ų71.932%0.32134%0.336SS..Hα-helixtrans-59.6-48.6175-172.9-171.4-58171.5-3.5111.6L133 E134 I136 N138 E139 I140 K144 A145 A146L133-R142 HydrophobicContact CB-CG 4.35Å; L133-R142 WeakPolarHBondContact O-CD 3.49Å; L133-R142 VanDerWaalsContact O-CG 3.29Å; L133-R142 WeakPolarHBondContact O-CG 3.42Å; L133-R142 PolarHBondContact O-NE 2.77Å; E134-R142 PolarHBondContact O-NH2 3.15Å; I136-R142 HydrophobicContact CB-CB 4.07Å; I136-R142 HydrophobicContact CB-CG 4.27Å; I136-R142 HydrophobicContact CG2-CB 3.99Å; I136-R142 PolarHBondContact O-NE 3.32Å; I136-R142 PolarHBondContact O-NH2 2.83Å; N138-R142 WeakPolarHBondContact O-CB 3.12Å; N138-R142 PolarHBondContact O-N 3.43Å; E139-R142 WeakPolarHBondContact O-CB 3.42Å; E139-R142 PolarHBondContact O-N 2.88Å; I140-R142 VanDerWaalsContact C-N 3.35Å; R142-K144 VanDerWaalsContact C-N 3.35Å; R142-A145 PolarHBondContact O-N 3.09Å; R142-A146 WeakPolarHBondContact O-CB 3.17Å; R142-A146 PolarHBondContact O-N 3.4Å
143Q97.8Very high96.4Very high118 Ų11874.5 Ų74.555%0.55135%0.353SS*.Hα-helixtrans-63.2-42.3177.7-72.4178.43.300111.5E139 I140 A146 E147E139-Q143 WeakPolarHBondContact O-CG 3.36Å; E139-Q143 PolarHBondContact O-N 3.46Å; I140-Q143 PolarHBondContact O-N 3.2Å; Q143-A146 PolarHBondContact O-N 2.75Å; Q143-E147 PolarHBondContact O-N 3.4Å
144K97.3Very high96.5Very high77 Ų7773.3 Ų73.334%0.33535%0.347SS..Hα-helixtrans-63.7-43.7177.1-167.4169.4-172.9176.80112.1I140 L141 R142 E147 I148 T200I140-K144 WeakPolarHBondContact O-CB 2.98Å; I140-K144 PolarHBondContact O-N 2.9Å; L141-K144 PolarHBondContact O-N 2.74Å; R142-K144 VanDerWaalsContact C-N 3.35Å; K144-E147 WeakPolarHBondContact O-CB 3.31Å; K144-E147 PolarHBondContact O-N 3.31Å; K144-I148 HydrophobicContact CG-CD1 4.05Å; K144-I148 WeakPolarHBondContact O-CD1 3.41Å; K144-I148 WeakPolarHBondContact O-CG1 3.49Å; K144-I148 PolarHBondContact O-N 2.71Å; K144-T200 HydrophobicContact CD-CG2 4.04Å; K144-T200 VanDerWaalsContact CE-CG2 3.46Å; K144-T200 WeakPolarHBondContact CE-OG1 3.47Å; K144-T200 PolarHBondContact NZ-OG1 3.21Å
145A97.9Very high96.7Very high0 Ų068.9 Ų68.90%033%0.326CS..Hα-helixtrans-60.7-45.117500000111.7L133 I136 L141 R142 E147 I148 L149 L204 V215L133-A145 HydrophobicContact CD2-CB 3.98Å; I136-A145 HydrophobicContact CD1-CB 4.21Å; L141-A145 VanDerWaalsContact O-CB 3.3Å; L141-A145 WeakPolarHBondContact O-CB 3.42Å; L141-A145 PolarHBondContact O-N 3.17Å; R142-A145 PolarHBondContact O-N 3.09Å; A145-E147 VanDerWaalsContact C-N 3.29Å; A145-E147 PolarHBondContact O-N 3.35Å; A145-I148 PolarHBondContact O-N 2.9Å; A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 VanDerWaalsContact O-CG 3.24Å; A145-L149 WeakPolarHBondContact O-CG 3.35Å; A145-L149 PolarHBondContact O-N 3Å; A145-L204 HydrophobicContact CB-CD2 4.19Å; A145-V215 HydrophobicContact CB-CG1 4.16Å; A145-V215 HydrophobicContact CB-CG2 3.97Å
146A98Very high96.9Very high38 Ų3867 Ų6731%0.31432%0.317SS..Hα-helixtrans-61.2-36.9175.400000112.6L133 R142 Q143 R150L133-A146 HydrophobicContact CD1-CB 3.93Å; R142-A146 WeakPolarHBondContact O-CB 3.17Å; R142-A146 PolarHBondContact O-N 3.4Å; Q143-A146 PolarHBondContact O-N 2.75Å; A146-R150 WeakPolarHBondContact O-CB 3.3Å; A146-R150 WeakPolarHBondContact O-CG 3.02Å; A146-R150 PolarHBondContact O-N 3.43Å; A146-R150 VanDerWaalsContact O-N 3.09Å
147E97.8Very high97.1Very high78 Ų7871.6 Ų71.636%0.36435%0.347SS..Hα-helixtrans-66.2-45.6175.2171.7159.9-136.100113.3Q143 K144 A145 R150 Q151Q143-E147 PolarHBondContact O-N 3.4Å; K144-E147 WeakPolarHBondContact O-CB 3.31Å; K144-E147 PolarHBondContact O-N 3.31Å; A145-E147 VanDerWaalsContact C-N 3.29Å; A145-E147 PolarHBondContact O-N 3.35Å; E147-R150 VanDerWaalsContact CD-NH2 3.3Å; E147-R150 VanDerWaalsContact CG-NH2 3.35Å; E147-R150 WeakPolarHBondContact O-CG 3.35Å; E147-R150 IonicContact OE1-CZ 3.83Å; E147-R150 IonicContact OE1-NH2 2.87Å; E147-R150 PolarHBondContact OE1-NH2 3.39Å; E147-Q151 VanDerWaalsContact O-CG 3.29Å; E147-Q151 WeakPolarHBondContact O-CG 3.38Å; E147-Q151 PolarHBondContact O-N 3.5Å; E147-Q151 PolarHBondContact OE1-NE2 3.24Å
148I97.5Very high97.5Very high24 Ų2466.1 Ų66.112%0.12332%0.319CS..Hα-helixtrans-64.5-45.5179.1-65.2154.9000109.9K144 A145 R150 Q151 R152 V196 T200 L204 V215K144-I148 HydrophobicContact CG-CD1 4.05Å; K144-I148 WeakPolarHBondContact O-CD1 3.41Å; K144-I148 WeakPolarHBondContact O-CG1 3.49Å; K144-I148 PolarHBondContact O-N 2.71Å; A145-I148 PolarHBondContact O-N 2.9Å; I148-R150 PolarHBondContact O-N 3.36Å; I148-Q151 PolarHBondContact O-N 2.76Å; I148-R152 PolarHBondContact O-N 3.34Å; I148-V196 HydrophobicContact CD1-CG1 3.51Å; I148-V196 HydrophobicContact CG1-CG1 4.02Å; I148-V196 HydrophobicContact CG2-CG1 4.09Å; I148-T200 HydrophobicContact CD1-CG2 4.02Å; I148-L204 HydrophobicContact CD1-CD1 4.38Å; I148-V215 HydrophobicContact CB-CG1 3.87Å; I148-V215 HydrophobicContact CD1-CG1 3.81Å; I148-V215 HydrophobicContact CG1-CG1 4.48Å; I148-V215 HydrophobicContact CG2-CG1 3.84Å; I148-V215 VanDerWaalsContact CG2-O 3.24Å; I148-V215 WeakPolarHBondContact CG2-O 3.19Å
149L98.3Very high97.6Very high3 Ų363 Ų632%0.01630%0.302CS..Hα-helixtrans-65.2-35.1-178.9-71.7173.6000113.5T75 L131 L133 A145 Q151 R152 V214 V215T75-L149 HydrophobicContact CG2-CB 3.88Å; L131-L149 HydrophobicContact CD2-CD1 4.32Å; L133-L149 HydrophobicContact CD1-CD1 4.11Å; L133-L149 HydrophobicContact CD2-CD1 3.96Å; L133-L149 HydrophobicContact CG-CD1 4.45Å; A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 VanDerWaalsContact O-CG 3.24Å; A145-L149 WeakPolarHBondContact O-CG 3.35Å; A145-L149 PolarHBondContact O-N 3Å; L149-Q151 VanDerWaalsContact C-N 3.28Å; L149-Q151 PolarHBondContact O-N 3.27Å; L149-R152 WeakPolarHBondContact O-CG 3.38Å; L149-V214 HydrophobicContact CD2-CG1 4.44Å; L149-V215 HydrophobicContact CD1-CG2 4.06Å; L149-V215 HydrophobicContact CD2-CG2 4.33Å; L149-V215 HydrophobicContact CG-CG2 4.17Å
150R96.7Very high97.7Very high164 Ų16461.1 Ų61.162%0.61929%0.29SS*.Hα-helixtrans-74.1-18.5177.173177.3-172.9-115.8-1.8113.6A146 E147 I148A146-R150 WeakPolarHBondContact O-CB 3.3Å; A146-R150 WeakPolarHBondContact O-CG 3.02Å; A146-R150 PolarHBondContact O-N 3.43Å; A146-R150 VanDerWaalsContact O-N 3.09Å; E147-R150 VanDerWaalsContact CD-NH2 3.3Å; E147-R150 VanDerWaalsContact CG-NH2 3.35Å; E147-R150 WeakPolarHBondContact O-CG 3.35Å; E147-R150 IonicContact OE1-CZ 3.83Å; E147-R150 IonicContact OE1-NH2 2.87Å; E147-R150 PolarHBondContact OE1-NH2 3.39Å; I148-R150 PolarHBondContact O-N 3.36Å
151Q96.5Very high97.8Very high133 Ų13359.8 Ų59.862%0.62128%0.281SS*.Hα-helixtrans-91.5-15.4-175.7-74.8177.59.100113.3E147 I148 L149E147-Q151 VanDerWaalsContact O-CG 3.29Å; E147-Q151 WeakPolarHBondContact O-CG 3.38Å; E147-Q151 PolarHBondContact O-N 3.5Å; E147-Q151 PolarHBondContact OE1-NE2 3.24Å; I148-Q151 PolarHBondContact O-N 2.76Å; L149-Q151 VanDerWaalsContact C-N 3.28Å; L149-Q151 PolarHBondContact O-N 3.27Å
152R97Very high97.9Very high37 Ų3758.9 Ų58.914%0.1428%0.276CS..  trans-88156.3177.872.2177.9-172.8-176.10.8112.2E78 I148 L149 I154 V214 F217E78-R152 VanDerWaalsContact CD-NH2 3.3Å; E78-R152 IonicContact OE1-CZ 3.19Å; E78-R152 VanDerWaalsContact OE1-CZ 3.28Å; E78-R152 IonicContact OE1-NE 3.33Å; E78-R152 PolarHBondContact OE1-NE 3.39Å; E78-R152 IonicContact OE1-NH2 3.47Å; E78-R152 PolarHBondContact OE1-NH2 3.46Å; E78-R152 IonicContact OE2-CZ 3.84Å; E78-R152 IonicContact OE2-NH2 2.76Å; E78-R152 PolarHBondContact OE2-NH2 3.4Å; I148-R152 PolarHBondContact O-N 3.34Å; L149-R152 WeakPolarHBondContact O-CG 3.38Å; R152-I154 HydrophobicContact CG-CG2 4.17Å; R152-V214 PolarHBondContact NH1-O 3.1Å; R152-F217 PolarHBondContact NH1-O 3.12Å
153D97.5Very high97.9Very high89 Ų8955 Ų5548%0.47626%0.261SS..  trans-126.3110.5164.4-170.21.8000108.4F155 R160D153-F155 VanDerWaalsContact C-N 3.28Å; D153-F155 PolarHBondContact OD1-N 2.64Å; D153-R160 IonicContact OD1-CZ 2.77Å; D153-R160 IonicContact OD1-NE 3.79Å; D153-R160 PolarHBondContact OD1-NE 3.49Å; D153-R160 IonicContact OD1-NH2 3.31Å; D153-R160 PolarHBondContact OD1-NH2 2.97Å; D153-R160 IonicContact OD2-CZ 3.83Å; D153-R160 IonicContact OD2-NE 2.78Å; D153-R160 PolarHBondContact OD2-NE 3.31Å; D153-R160 IonicContact OD2-NH2 3.94Å
154I98Very high97.9Very high10 Ų1053.4 Ų53.45%0.05125%0.254CS..  trans-81.3-10.3-176.471.4172.2000112.8V73 E78 R152 T187V73-I154 HydrophobicContact CG1-CD1 4.27Å; E78-I154 HydrophobicContact CB-CD1 3.83Å; E78-I154 HydrophobicContact CG-CD1 3.59Å; E78-I154 HydrophobicContact CG-CG1 4.04Å; R152-I154 HydrophobicContact CG-CG2 4.17Å; I154-T187 HydrophobicContact CB-CG2 4.42Å; I154-T187 HydrophobicContact CD1-CG2 4.2Å; I154-T187 HydrophobicContact CG1-CG2 4.23Å; I154-T187 WeakPolarHBondContact O-CA 3.38Å; I154-T187 WeakPolarHBondContact O-CB 3.34Å; I154-T187 WeakPolarHBondContact O-CG2 3.2Å; I154-T187 PolarHBondContact O-OG1 2.75Å
155F98.4Very high97.9Very high4 Ų452.4 Ų52.42%0.01825%0.251CS..SBendtrans-109133.6-178.1-53.7-79.1000109.5T81 L82 M85 D153 R160 T187T81-F155 VanDerWaalsContact CB-CE2 3.47Å; T81-F155 HydrophobicContact CG2-CD1 4.14Å; T81-F155 HydrophobicContact CG2-CD2 3.77Å; T81-F155 HydrophobicContact CG2-CE1 3.88Å; T81-F155 HydrophobicContact CG2-CE2 3.47Å; T81-F155 VanDerWaalsContact CG2-CE2 3.47Å; T81-F155 HydrophobicContact CG2-CG 4.07Å; T81-F155 HydrophobicContact CG2-CZ 3.53Å; L82-F155 HydrophobicContact CD2-CE1 3.91Å; L82-F155 HydrophobicContact CD2-CZ 4.25Å; L82-F155 HydrophobicContact CG-CE1 4.18Å; L82-F155 HydrophobicContact CG-CZ 4Å; M85-F155 HydrophobicContact CE-CD1 3.58Å; M85-F155 HydrophobicContact CE-CE1 3.69Å; D153-F155 VanDerWaalsContact C-N 3.28Å; D153-F155 PolarHBondContact OD1-N 2.64Å; F155-R160 HydrophobicContact CB-CG 4.08Å; F155-T187 HydrophobicContact CD1-CG2 4.17Å; F155-T187 HydrophobicContact CE1-CG2 4.1Å
156T98.3Very high97.9Very high31 Ų3155 Ų5519%0.1926%0.261CS..  trans-63.1150.2175.272.70000110.2R158 C159 R160 E183 E186T156-R158 PolarHBondContact O-N 3.21Å; T156-C159 WeakPolarHBondContact O-CB 3.25Å; T156-C159 PolarHBondContact O-N 3.45Å; T156-C159 VanDerWaalsContact O-N 3.14Å; T156-C159 WeakPolarHBondContact OG1-CB 3.36Å; T156-C159 PolarHBondContact OG1-N 3.48Å; T156-R160 PolarHBondContact O-N 3.05Å; T156-R160 VanDerWaalsContact O-N 3.15Å; T156-E183 WeakPolarHBondContact CB-OE2 3.32Å; T156-E183 WeakPolarHBondContact CG2-OE2 3.29Å; T156-E183 PolarHBondContact OG1-OE2 3.03Å; T156-E186 HydrophobicContact CG2-CB 3.88Å; T156-E186 HydrophobicContact CG2-CG 4.45Å
157P98.5Very high97.8Very high97 Ų9758.1 Ų58.163%0.6327%0.269SS*.Hα-helixtrans-55.6-34.5174.9-27.935.7000112.9R160 Q161P157-R160 PolarHBondContact O-N 2.88Å; P157-Q161 WeakPolarHBondContact O-CG 3.1Å; P157-Q161 PolarHBondContact O-N 3.21Å; P157-Q161 VanDerWaalsContact O-N 3.13Å
158R98.5Very high97.7Very high60 Ų6061.9 Ų61.923%0.22629%0.287CS..Hα-helixtrans-72.9-39.1178.3-174.961.5-178.4140.310112.2T156 R160 Q161 L162 E165 E179 E183T156-R158 PolarHBondContact O-N 3.21Å; R158-R160 VanDerWaalsContact C-N 3.28Å; R158-R160 PolarHBondContact O-N 3.2Å; R158-Q161 PolarHBondContact O-N 3.3Å; R158-Q161 VanDerWaalsContact O-N 3.16Å; R158-L162 HydrophobicContact CG-CD1 4.11Å; R158-L162 WeakPolarHBondContact O-CG 3.33Å; R158-L162 PolarHBondContact O-N 3.45Å; R158-E165 IonicContact CZ-OE1 3.46Å; R158-E165 IonicContact NH1-OE1 3.52Å; R158-E165 PolarHBondContact NH1-OE1 2.92Å; R158-E165 IonicContact NH2-OE1 3.78Å; R158-E179 IonicContact CZ-OE1 3.27Å; R158-E179 IonicContact CZ-OE2 3.73Å; R158-E179 VanDerWaalsContact NE-CD 3.32Å; R158-E179 IonicContact NE-OE1 2.64Å; R158-E179 PolarHBondContact NE-OE1 2.82Å; R158-E179 IonicContact NE-OE2 2.75Å; R158-E179 PolarHBondContact NE-OE2 3.36Å; R158-E179 IonicContact NH2-OE1 3.64Å; R158-E179 IonicContact NH2-OE2 2.77Å; R158-E179 PolarHBondContact NH2-OE2 2.83Å; R158-E183 HydrophobicContact CB-CG 4.04Å; R158-E183 HydrophobicContact CG-CG 3.84Å
159C98.4Very high97.6Very high0 Ų065.6 Ų65.60%030%0.304CS..Hα-helixtrans-54.8-45.1171.5-176.70000111.3M85 T156 L162 L163 E183M85-C159 WeakPolarHBondContact CE-SG 3.26Å; T156-C159 WeakPolarHBondContact O-CB 3.25Å; T156-C159 PolarHBondContact O-N 3.45Å; T156-C159 VanDerWaalsContact O-N 3.14Å; T156-C159 WeakPolarHBondContact OG1-CB 3.36Å; T156-C159 PolarHBondContact OG1-N 3.48Å; C159-L162 PolarHBondContact O-N 2.83Å; C159-L163 WeakPolarHBondContact O-CG 3.47Å; C159-L163 PolarHBondContact O-N 3.41Å; C159-E183 HydrophobicContact CB-CB 4.01Å
160R98.3Very high97.4Very high86 Ų8668.6 Ų68.633%0.32534%0.335SS..Hα-helixtrans-63.4-42.4176.6-66.2-178.3177.1-74.94.7112.6D153 F155 T156 P157 R158 L162 L163 E164D153-R160 IonicContact OD1-CZ 2.77Å; D153-R160 IonicContact OD1-NE 3.79Å; D153-R160 PolarHBondContact OD1-NE 3.49Å; D153-R160 IonicContact OD1-NH2 3.31Å; D153-R160 PolarHBondContact OD1-NH2 2.97Å; D153-R160 IonicContact OD2-CZ 3.83Å; D153-R160 IonicContact OD2-NE 2.78Å; D153-R160 PolarHBondContact OD2-NE 3.31Å; D153-R160 IonicContact OD2-NH2 3.94Å; F155-R160 HydrophobicContact CB-CG 4.08Å; T156-R160 PolarHBondContact O-N 3.05Å; T156-R160 VanDerWaalsContact O-N 3.15Å; P157-R160 PolarHBondContact O-N 2.88Å; R158-R160 VanDerWaalsContact C-N 3.28Å; R158-R160 PolarHBondContact O-N 3.2Å; R160-L162 VanDerWaalsContact C-N 3.34Å; R160-L162 PolarHBondContact O-N 2.82Å; R160-L163 WeakPolarHBondContact O-CB 3.28Å; R160-L163 PolarHBondContact O-N 3.49Å; R160-E164 WeakPolarHBondContact O-CG 3.46Å; R160-E164 PolarHBondContact O-N 3.02Å; R160-E164 VanDerWaalsContact O-N 3.16Å
161Q98.4Very high97.3Very high103 Ų10361.4 Ų61.448%0.48131%0.312SS..Hα-helixtrans-60.7-45175.6-70.4169.217.500111.6P157 R158 L163 E164 E165P157-Q161 WeakPolarHBondContact O-CG 3.1Å; P157-Q161 PolarHBondContact O-N 3.21Å; P157-Q161 VanDerWaalsContact O-N 3.13Å; R158-Q161 PolarHBondContact O-N 3.3Å; R158-Q161 VanDerWaalsContact O-N 3.16Å; Q161-L163 VanDerWaalsContact C-N 3.33Å; Q161-L163 PolarHBondContact O-N 2.93Å; Q161-E164 PolarHBondContact O-N 3.39Å; Q161-E165 WeakPolarHBondContact O-CG 3.19Å; Q161-E165 PolarHBondContact O-N 2.81Å
162L98.5Very high97.4Very high0 Ų055.3 Ų55.30%028%0.284CS..Hα-helixtrans-62.9-38.5178.2-74.6165.6000111.9R158 C159 R160 E164 E165 Y166 F172 Q176 E179 F180 E183R158-L162 HydrophobicContact CG-CD1 4.11Å; R158-L162 WeakPolarHBondContact O-CG 3.33Å; R158-L162 PolarHBondContact O-N 3.45Å; C159-L162 PolarHBondContact O-N 2.83Å; R160-L162 VanDerWaalsContact C-N 3.34Å; R160-L162 PolarHBondContact O-N 2.82Å; L162-E164 PolarHBondContact O-N 3.37Å; L162-E165 PolarHBondContact O-N 3.39Å; L162-Y166 WeakPolarHBondContact O-CB 3.24Å; L162-Y166 PolarHBondContact O-N 3.31Å; L162-F172 HydrophobicContact CB-CE1 4.49Å; L162-F172 HydrophobicContact CB-CZ 3.96Å; L162-F172 HydrophobicContact CD2-CE1 4.15Å; L162-F172 HydrophobicContact CD2-CZ 4.28Å; L162-F172 WeakPolarHBondContact O-CE1 3.48Å; L162-F172 WeakPolarHBondContact O-CZ 3.36Å; L162-Q176 HydrophobicContact CD2-CB 4.44Å; L162-E179 HydrophobicContact CD1-CB 4.25Å; L162-E179 HydrophobicContact CD1-CG 3.97Å; L162-F180 HydrophobicContact CB-CD2 4.14Å; L162-F180 HydrophobicContact CD1-CB 4.06Å; L162-E183 HydrophobicContact CD1-CG 4.32Å
163L98.1Very high97.3Very high2 Ų256.8 Ų56.81%0.0129%0.294CS..Hα-helixtrans-57.4-47.9172-76.8172.9000112T81 R84 M85 I88 C159 R160 Q161 Y166 E167 F180T81-L163 HydrophobicContact CG2-CD1 3.95Å; R84-L163 HydrophobicContact CB-CD2 4.24Å; M85-L163 HydrophobicContact CB-CD2 4.24Å; I88-L163 HydrophobicContact CD1-CD2 3.57Å; I88-L163 HydrophobicContact CG1-CD2 4.4Å; C159-L163 WeakPolarHBondContact O-CG 3.47Å; C159-L163 PolarHBondContact O-N 3.41Å; R160-L163 WeakPolarHBondContact O-CB 3.28Å; R160-L163 PolarHBondContact O-N 3.49Å; Q161-L163 VanDerWaalsContact C-N 3.33Å; Q161-L163 PolarHBondContact O-N 2.93Å; L163-Y166 PolarHBondContact O-N 2.91Å; L163-E167 WeakPolarHBondContact O-CG 3.38Å; L163-E167 PolarHBondContact O-N 3.47Å; L163-E167 VanDerWaalsContact O-N 3.14Å; L163-F180 HydrophobicContact CD2-CE2 4.12Å; L163-F180 HydrophobicContact CG-CE2 4.47Å
164E98Very high97.2Very high86 Ų8658.3 Ų58.340%0.40230%0.298SS..Hα-helixtrans-66.6-40.1178-60.9-62.5143.500111.8R84 R160 Q161 L162 Y166 E167 Q168R84-E164 IonicContact CZ-OE1 3.8Å; R84-E164 IonicContact NH1-OE1 3.43Å; R84-E164 PolarHBondContact NH1-OE1 2.84Å; R84-E164 IonicContact NH2-OE1 2.81Å; R84-E164 PolarHBondContact NH2-OE1 2.99Å; R84-E164 IonicContact NH2-OE2 2.74Å; R160-E164 WeakPolarHBondContact O-CG 3.46Å; R160-E164 PolarHBondContact O-N 3.02Å; R160-E164 VanDerWaalsContact O-N 3.16Å; Q161-E164 PolarHBondContact O-N 3.39Å; L162-E164 PolarHBondContact O-N 3.37Å; E164-Y166 PolarHBondContact O-N 3.4Å; E164-E167 PolarHBondContact O-N 2.99Å; E164-Q168 WeakPolarHBondContact O-CB 3.44Å; E164-Q168 VanDerWaalsContact O-CG 3.25Å; E164-Q168 WeakPolarHBondContact O-CG 3.26Å; E164-Q168 PolarHBondContact O-N 3.3Å
165E97.6Very high97.2Very high56 Ų5662.7 Ų62.726%0.26233%0.326SS..Hα-helixtrans-58.8-45.7174.7-75.3177.2-148.900111.1R158 Q161 L162 Q168 Q169 F172 Q176R158-E165 IonicContact CZ-OE1 3.46Å; R158-E165 IonicContact NH1-OE1 3.52Å; R158-E165 PolarHBondContact NH1-OE1 2.92Å; R158-E165 IonicContact NH2-OE1 3.78Å; Q161-E165 WeakPolarHBondContact O-CG 3.19Å; Q161-E165 PolarHBondContact O-N 2.81Å; L162-E165 PolarHBondContact O-N 3.39Å; E165-Q168 PolarHBondContact O-N 3.49Å; E165-Q169 VanDerWaalsContact O-CG 3.24Å; E165-Q169 WeakPolarHBondContact O-CG 3.28Å; E165-Q169 PolarHBondContact O-N 3.33Å; E165-F172 HydrophobicContact CB-CE1 4.5Å; E165-Q176 PolarHBondContact OE2-NE2 3.16Å
166Y97.7Very high97.1Very high55 Ų5563.8 Ų63.822%0.21633%0.331CS..Hα-helixtrans-59.7-47.2177.5-173.5-87000111.9I88 L162 L163 E164 Q168 Q169 G170 F172I88-Y166 HydrophobicContact CB-CD2 4.42Å; I88-Y166 HydrophobicContact CB-CE2 4.23Å; I88-Y166 HydrophobicContact CD1-CD1 4.01Å; I88-Y166 HydrophobicContact CD1-CD2 3.92Å; I88-Y166 HydrophobicContact CD1-CG 3.59Å; I88-Y166 HydrophobicContact CG1-CD1 3.66Å; I88-Y166 HydrophobicContact CG1-CD2 3.91Å; I88-Y166 HydrophobicContact CG1-CE1 3.86Å; I88-Y166 HydrophobicContact CG1-CE2 4.08Å; I88-Y166 HydrophobicContact CG1-CG 3.69Å; I88-Y166 HydrophobicContact CG2-CD2 3.89Å; I88-Y166 HydrophobicContact CG2-CE2 3.71Å; L162-Y166 WeakPolarHBondContact O-CB 3.24Å; L162-Y166 PolarHBondContact O-N 3.31Å; L163-Y166 PolarHBondContact O-N 2.91Å; E164-Y166 PolarHBondContact O-N 3.4Å; Y166-Q168 VanDerWaalsContact C-N 3.29Å; Y166-Q168 PolarHBondContact O-N 3.12Å; Y166-Q169 PolarHBondContact O-N 2.92Å; Y166-G170 WeakPolarHBondContact O-CA 3.49Å; Y166-G170 PolarHBondContact O-N 3.45Å; Y166-F172 HydrophobicContact CD2-CD1 4.07Å; Y166-F172 AromaticContact CD2-CD2 3.64Å; Y166-F172 HydrophobicContact CD2-CD2 3.64Å; Y166-F172 HydrophobicContact CD2-CE1 4.15Å; Y166-F172 AromaticContact CD2-CE2 3.74Å; Y166-F172 HydrophobicContact CD2-CE2 3.74Å; Y166-F172 AromaticContact CD2-CG 3.81Å; Y166-F172 HydrophobicContact CD2-CG 3.81Å; Y166-F172 AromaticContact CD2-CZ 3.99Å; Y166-F172 HydrophobicContact CD2-CZ 3.99Å; Y166-F172 HydrophobicContact CE2-CD2 4.24Å; Y166-F172 HydrophobicContact CE2-CG 4.48Å; Y166-F172 HydrophobicContact CG-CE1 4.49Å; Y166-F172 HydrophobicContact CG-CE2 4.38Å; Y166-F172 HydrophobicContact CG-CZ 4.29Å
167E95Very high97.1Very high102 Ų10262.3 Ų62.348%0.47732%0.322SS..Hα-helixtrans-64.8-33179.9-72.9178.3-179.800112.3R84 L163 E164R84-E167 IonicContact CZ-OE1 2.76Å; R84-E167 VanDerWaalsContact CZ-OE1 3.3Å; R84-E167 IonicContact CZ-OE2 3.8Å; R84-E167 IonicContact NE-OE1 3.65Å; R84-E167 PolarHBondContact NE-OE1 2.99Å; R84-E167 IonicContact NE-OE2 2.81Å; R84-E167 IonicContact NH2-OE1 2.81Å; R84-E167 PolarHBondContact NH2-OE1 3.15Å; R84-E167 IonicContact NH2-OE2 3.85Å; R84-E167 PolarHBondContact NH2-OE2 3.23Å; L163-E167 WeakPolarHBondContact O-CG 3.38Å; L163-E167 PolarHBondContact O-N 3.47Å; L163-E167 VanDerWaalsContact O-N 3.14Å; E164-E167 PolarHBondContact O-N 2.99Å
168Q96Very high97.1Very high158 Ų15862 Ų6274%0.73831%0.312SS*.Hα-helixtrans-75.6-38.3177.8-71.9171.921.800113.4E164 E165 Y166E164-Q168 WeakPolarHBondContact O-CB 3.44Å; E164-Q168 VanDerWaalsContact O-CG 3.25Å; E164-Q168 WeakPolarHBondContact O-CG 3.26Å; E164-Q168 PolarHBondContact O-N 3.3Å; E165-Q168 PolarHBondContact O-N 3.49Å; Y166-Q168 VanDerWaalsContact C-N 3.29Å; Y166-Q168 PolarHBondContact O-N 3.12Å
169Q95.2Very high97.1Very high102 Ų10262.4 Ų62.448%0.47732%0.316SS..Hα-helixtrans-100.4-14-174.479.8-169.7-15.500114.3E165 Y166 G171E165-Q169 VanDerWaalsContact O-CG 3.24Å; E165-Q169 WeakPolarHBondContact O-CG 3.28Å; E165-Q169 PolarHBondContact O-N 3.33Å; Y166-Q169 PolarHBondContact O-N 2.92Å; Q169-G171 VanDerWaalsContact CD-O 3.23Å; Q169-G171 WeakPolarHBondContact CG-O 3.34Å; Q169-G171 PolarHBondContact NE2-O 3.22Å
170G94.6Very high97.1Very high65 Ų6562.4 Ų62.467%0.6732%0.316SS*.THydrogen-bonded Turntrans79.217.4177.700000115.6Y166Y166-G170 WeakPolarHBondContact O-CA 3.49Å; Y166-G170 PolarHBondContact O-N 3.45Å
171G95.3Very high97.1Very high14 Ų1458.4 Ų58.414%0.14430%0.302CS..SBendtrans173.9-175.1-178.400000112.4Q169Q169-G171 VanDerWaalsContact CD-O 3.23Å; Q169-G171 WeakPolarHBondContact CG-O 3.34Å; Q169-G171 PolarHBondContact NE2-O 3.22Å
172F97.4Very high97.1Very high5 Ų558.7 Ų58.72%0.02230%0.303CS..  trans-127.2153.3168.4-77.9-40.8000110.6S4 I5 I10 I88 L162 E165 Y166 Q176 A177 F180S4-F172 VanDerWaalsContact CA-O 3.26Å; S4-F172 WeakPolarHBondContact CA-O 3.29Å; I5-F172 HydrophobicContact CG2-CB 4.29Å; I5-F172 PolarHBondContact N-O 3.03Å; I5-F172 VanDerWaalsContact N-O 3.08Å; I10-F172 HydrophobicContact CD1-CD2 4.13Å; I88-F172 HydrophobicContact CD1-CE2 3.87Å; I88-F172 HydrophobicContact CD1-CZ 4.14Å; I88-F172 HydrophobicContact CG2-CD2 3.96Å; I88-F172 HydrophobicContact CG2-CE2 3.79Å; L162-F172 HydrophobicContact CB-CE1 4.49Å; L162-F172 HydrophobicContact CB-CZ 3.96Å; L162-F172 HydrophobicContact CD2-CE1 4.15Å; L162-F172 HydrophobicContact CD2-CZ 4.28Å; L162-F172 WeakPolarHBondContact O-CE1 3.48Å; L162-F172 WeakPolarHBondContact O-CZ 3.36Å; E165-F172 HydrophobicContact CB-CE1 4.5Å; Y166-F172 HydrophobicContact CD2-CD1 4.07Å; Y166-F172 AromaticContact CD2-CD2 3.64Å; Y166-F172 HydrophobicContact CD2-CD2 3.64Å; Y166-F172 HydrophobicContact CD2-CE1 4.15Å; Y166-F172 AromaticContact CD2-CE2 3.74Å; Y166-F172 HydrophobicContact CD2-CE2 3.74Å; Y166-F172 AromaticContact CD2-CG 3.81Å; Y166-F172 HydrophobicContact CD2-CG 3.81Å; Y166-F172 AromaticContact CD2-CZ 3.99Å; Y166-F172 HydrophobicContact CD2-CZ 3.99Å; Y166-F172 HydrophobicContact CE2-CD2 4.24Å; Y166-F172 HydrophobicContact CE2-CG 4.48Å; Y166-F172 HydrophobicContact CG-CE1 4.49Å; Y166-F172 HydrophobicContact CG-CE2 4.38Å; Y166-F172 HydrophobicContact CG-CZ 4.29Å; F172-Q176 HydrophobicContact CB-CB 4.02Å; F172-Q176 HydrophobicContact CD1-CB 3.5Å; F172-Q176 VanDerWaalsContact CD1-CB 3.5Å; F172-Q176 HydrophobicContact CD1-CG 4.26Å; F172-Q176 HydrophobicContact CE1-CB 4.13Å; F172-Q176 HydrophobicContact CG-CB 3.89Å; F172-A177 HydrophobicContact CB-CB 4.08Å; F172-A177 HydrophobicContact CD2-CB 4.44Å; F172-F180 HydrophobicContact CD2-CB 4.36Å; F172-F180 HydrophobicContact CE2-CB 3.71Å; F172-F180 HydrophobicContact CE2-CD1 4.05Å; F172-F180 HydrophobicContact CE2-CD2 4.01Å; F172-F180 AromaticContact CE2-CG 3.64Å; F172-F180 HydrophobicContact CE2-CG 3.64Å; F172-F180 HydrophobicContact CZ-CB 4.23Å; F172-F180 HydrophobicContact CZ-CD2 4.31Å; F172-F180 HydrophobicContact CZ-CG 4.3Å
173N96.2Very high97.1Very high68 Ų6861.2 Ų61.236%0.36432%0.315SS..BIsolated β-bridgetrans-83.8172.4156.965.757.9000110.6T175 Q176 A177N173-T175 PolarHBondContact O-N 3.42Å; N173-T175 WeakPolarHBondContact OD1-CB 3.27Å; N173-T175 PolarHBondContact OD1-N 2.97Å; N173-T175 VanDerWaalsContact OD1-N 3.08Å; N173-Q176 PolarHBondContact ND2-OE1 2.85Å; N173-Q176 PolarHBondContact O-N 3.3Å; N173-Q176 PolarHBondContact OD1-N 2.96Å; N173-A177 WeakPolarHBondContact O-CB 3.29Å; N173-A177 PolarHBondContact O-N 3.18Å
174E95.8Very high97.1Very high120 Ų12061.1 Ų61.156%0.56131%0.314SS*.Hα-helixtrans-56.1-44.6-177.7-172.2179.5178.700113.7A177 Q178E174-A177 PolarHBondContact O-N 2.78Å; E174-Q178 WeakPolarHBondContact O-CG 3.44Å; E174-Q178 PolarHBondContact O-N 2.78Å; E174-Q178 PolarHBondContact OE1-NE2 2.8Å
175T96.8Very high97.1Very high103 Ų10357.3 Ų57.363%0.63230%0.297SS*.Hα-helixtrans-63.1-46.8179.6-53.90000111.7N173 A177 Q178 E179N173-T175 PolarHBondContact O-N 3.42Å; N173-T175 WeakPolarHBondContact OD1-CB 3.27Å; N173-T175 PolarHBondContact OD1-N 2.97Å; N173-T175 VanDerWaalsContact OD1-N 3.08Å; T175-A177 VanDerWaalsContact C-N 3.32Å; T175-A177 PolarHBondContact O-N 3.14Å; T175-Q178 PolarHBondContact O-N 2.91Å; T175-E179 WeakPolarHBondContact O-CB 3.28Å; T175-E179 PolarHBondContact O-N 3.07Å
176Q97.7Very high97.1Very high26 Ų2658.1 Ų58.112%0.12130%0.301CS..Hα-helixtrans-63.7-39.3178-73174.9-51.300111.6L162 E165 F172 N173 E179 F180L162-Q176 HydrophobicContact CD2-CB 4.44Å; E165-Q176 PolarHBondContact OE2-NE2 3.16Å; F172-Q176 HydrophobicContact CB-CB 4.02Å; F172-Q176 HydrophobicContact CD1-CB 3.5Å; F172-Q176 VanDerWaalsContact CD1-CB 3.5Å; F172-Q176 HydrophobicContact CD1-CG 4.26Å; F172-Q176 HydrophobicContact CE1-CB 4.13Å; F172-Q176 HydrophobicContact CG-CB 3.89Å; N173-Q176 PolarHBondContact ND2-OE1 2.85Å; N173-Q176 PolarHBondContact O-N 3.3Å; N173-Q176 PolarHBondContact OD1-N 2.96Å; Q176-E179 PolarHBondContact O-N 3.05Å; Q176-F180 VanDerWaalsContact O-CB 3.27Å; Q176-F180 WeakPolarHBondContact O-CB 3.38Å; Q176-F180 PolarHBondContact O-N 3.19Å
177A97.8Very high97.1Very high0 Ų055.6 Ų55.60%029%0.291CS..Hα-helixtrans-67.4-42.9178.700000112.7I5 I10 F172 N173 E174 T175 F180 V181I5-A177 HydrophobicContact CD1-CB 4.28Å; I5-A177 HydrophobicContact CG2-CB 3.57Å; I10-A177 HydrophobicContact CD1-CB 4.1Å; I10-A177 HydrophobicContact CG1-CB 3.97Å; F172-A177 HydrophobicContact CB-CB 4.08Å; F172-A177 HydrophobicContact CD2-CB 4.44Å; N173-A177 WeakPolarHBondContact O-CB 3.29Å; N173-A177 PolarHBondContact O-N 3.18Å; E174-A177 PolarHBondContact O-N 2.78Å; T175-A177 VanDerWaalsContact C-N 3.32Å; T175-A177 PolarHBondContact O-N 3.14Å; A177-F180 PolarHBondContact O-N 2.66Å; A177-V181 WeakPolarHBondContact O-CG2 3.42Å; A177-V181 PolarHBondContact O-N 2.83Å
178Q97.6Very high97.2Very high92 Ų9250.8 Ų50.843%0.4327%0.268SS..Hα-helixtrans-61.3-44.8175-73.9175.42.300111.2E174 T175 V181 Q182E174-Q178 WeakPolarHBondContact O-CG 3.44Å; E174-Q178 PolarHBondContact O-N 2.78Å; E174-Q178 PolarHBondContact OE1-NE2 2.8Å; T175-Q178 PolarHBondContact O-N 2.91Å; Q178-V181 PolarHBondContact O-N 3.5Å; Q178-Q182 WeakPolarHBondContact O-CG 2.95Å; Q178-Q182 PolarHBondContact O-N 3.23Å
179E98.4Very high97.2Very high67 Ų6746.7 Ų46.731%0.31325%0.246SC..Hα-helixtrans-61.5-45.2175.4-167.3-178.5-168.900111.3R158 L162 T175 Q176 V181 Q182 E183R158-E179 IonicContact CZ-OE1 3.27Å; R158-E179 IonicContact CZ-OE2 3.73Å; R158-E179 VanDerWaalsContact NE-CD 3.32Å; R158-E179 IonicContact NE-OE1 2.64Å; R158-E179 PolarHBondContact NE-OE1 2.82Å; R158-E179 IonicContact NE-OE2 2.75Å; R158-E179 PolarHBondContact NE-OE2 3.36Å; R158-E179 IonicContact NH2-OE1 3.64Å; R158-E179 IonicContact NH2-OE2 2.77Å; R158-E179 PolarHBondContact NH2-OE2 2.83Å; L162-E179 HydrophobicContact CD1-CB 4.25Å; L162-E179 HydrophobicContact CD1-CG 3.97Å; T175-E179 WeakPolarHBondContact O-CB 3.28Å; T175-E179 PolarHBondContact O-N 3.07Å; Q176-E179 PolarHBondContact O-N 3.05Å; E179-V181 VanDerWaalsContact C-N 3.34Å; E179-V181 PolarHBondContact O-N 2.83Å; E179-Q182 PolarHBondContact O-N 3.33Å; E179-E183 HydrophobicContact CG-CG 4.37Å; E179-E183 WeakPolarHBondContact O-CB 3.42Å; E179-E183 WeakPolarHBondContact O-CG 3.45Å; E179-E183 PolarHBondContact O-N 3.41Å
180F98.6Very high97.2Very high0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-58.6-43.3176.7172.9-103.5000112.5I10 M85 I88 M89 L162 L163 F172 Q176 A177 Q182 E183 A184I10-F180 HydrophobicContact CG2-CD1 4.07Å; I10-F180 HydrophobicContact CG2-CE1 4.31Å; M85-F180 HydrophobicContact CB-CZ 4.43Å; M85-F180 HydrophobicContact CG-CE2 4.19Å; M85-F180 HydrophobicContact CG-CZ 3.66Å; I88-F180 HydrophobicContact CB-CE1 4.09Å; I88-F180 HydrophobicContact CB-CZ 4.08Å; I88-F180 HydrophobicContact CD1-CD2 4.41Å; I88-F180 HydrophobicContact CD1-CE1 4.4Å; I88-F180 HydrophobicContact CD1-CE2 3.83Å; I88-F180 HydrophobicContact CD1-CZ 3.81Å; I88-F180 HydrophobicContact CG1-CZ 4.42Å; I88-F180 HydrophobicContact CG2-CD1 4.1Å; I88-F180 HydrophobicContact CG2-CE1 3.69Å; I88-F180 HydrophobicContact CG2-CZ 4.1Å; M89-F180 HydrophobicContact CE-CE1 4.12Å; M89-F180 HydrophobicContact CE-CZ 4.34Å; M89-F180 HydrophobicContact CG-CE1 4.32Å; M89-F180 HydrophobicContact SD-CE1 4.49Å; L162-F180 HydrophobicContact CB-CD2 4.14Å; L162-F180 HydrophobicContact CD1-CB 4.06Å; L163-F180 HydrophobicContact CD2-CE2 4.12Å; L163-F180 HydrophobicContact CG-CE2 4.47Å; F172-F180 HydrophobicContact CD2-CB 4.36Å; F172-F180 HydrophobicContact CE2-CB 3.71Å; F172-F180 HydrophobicContact CE2-CD1 4.05Å; F172-F180 HydrophobicContact CE2-CD2 4.01Å; F172-F180 AromaticContact CE2-CG 3.64Å; F172-F180 HydrophobicContact CE2-CG 3.64Å; F172-F180 HydrophobicContact CZ-CB 4.23Å; F172-F180 HydrophobicContact CZ-CD2 4.31Å; F172-F180 HydrophobicContact CZ-CG 4.3Å; Q176-F180 VanDerWaalsContact O-CB 3.27Å; Q176-F180 WeakPolarHBondContact O-CB 3.38Å; Q176-F180 PolarHBondContact O-N 3.19Å; A177-F180 PolarHBondContact O-N 2.66Å; F180-Q182 VanDerWaalsContact C-N 3.35Å; F180-Q182 PolarHBondContact O-N 3.25Å; F180-E183 PolarHBondContact O-N 2.63Å; F180-A184 HydrophobicContact CZ-CB 4.5Å; F180-A184 WeakPolarHBondContact O-CB 3.44Å; F180-A184 PolarHBondContact O-N 3.24Å
181V98.4Very high97.1Very high3 Ų343.1 Ų43.12%0.01821%0.211CC..Hα-helixtrans-60.5-44.2177.3167.70000111.1I10 Q13 F14 A17 A177 Q178 E179 L185I10-V181 HydrophobicContact CG2-CG2 3.95Å; Q13-V181 HydrophobicContact CB-CG2 4.25Å; F14-V181 HydrophobicContact CB-CG1 4.43Å; F14-V181 HydrophobicContact CB-CG2 4.26Å; F14-V181 HydrophobicContact CD2-CG1 4.38Å; A17-V181 HydrophobicContact CB-CG1 3.89Å; A177-V181 WeakPolarHBondContact O-CG2 3.42Å; A177-V181 PolarHBondContact O-N 2.83Å; Q178-V181 PolarHBondContact O-N 3.5Å; E179-V181 VanDerWaalsContact C-N 3.34Å; E179-V181 PolarHBondContact O-N 2.83Å; V181-L185 VanDerWaalsContact O-CB 3.32Å; V181-L185 WeakPolarHBondContact O-CB 3.32Å; V181-L185 PolarHBondContact O-N 2.8Å
182Q98.3Very high96.9Very high109 Ų10947.6 Ų47.651%0.50923%0.228SC..Hα-helixtrans-67.2-45.1178.7-61.1-52.1-56.700111.9Q178 E179 F180 L185 E186Q178-Q182 WeakPolarHBondContact O-CG 2.95Å; Q178-Q182 PolarHBondContact O-N 3.23Å; E179-Q182 PolarHBondContact O-N 3.33Å; F180-Q182 VanDerWaalsContact C-N 3.35Å; F180-Q182 PolarHBondContact O-N 3.25Å; Q182-L185 WeakPolarHBondContact O-CB 3.37Å; Q182-L185 PolarHBondContact O-N 3.14Å; Q182-E186 PolarHBondContact O-N 3.2Å
183E98.5Very high96.6Very high52 Ų5250.8 Ų50.824%0.24325%0.251CS..Hα-helixtrans-67.5-36.7-179.8-70.2-66.6159.300112.5T156 R158 C159 L162 E179 F180T156-E183 WeakPolarHBondContact CB-OE2 3.32Å; T156-E183 WeakPolarHBondContact CG2-OE2 3.29Å; T156-E183 PolarHBondContact OG1-OE2 3.03Å; R158-E183 HydrophobicContact CB-CG 4.04Å; R158-E183 HydrophobicContact CG-CG 3.84Å; C159-E183 HydrophobicContact CB-CB 4.01Å; L162-E183 HydrophobicContact CD1-CG 4.32Å; E179-E183 HydrophobicContact CG-CG 4.37Å; E179-E183 WeakPolarHBondContact O-CB 3.42Å; E179-E183 WeakPolarHBondContact O-CG 3.45Å; E179-E183 PolarHBondContact O-N 3.41Å; F180-E183 PolarHBondContact O-N 2.63Å
184A98Very high96.5Very high0 Ų048.2 Ų48.20%024%0.239CC..Hα-helixtrans-68.6-34.4173.600000112F14 M85 F180 E186 T187 F188F14-A184 HydrophobicContact CE2-CB 3.99Å; M85-A184 HydrophobicContact CE-CB 3.89Å; M85-A184 HydrophobicContact CG-CB 4.4Å; M85-A184 HydrophobicContact SD-CB 3.94Å; F180-A184 HydrophobicContact CZ-CB 4.5Å; F180-A184 WeakPolarHBondContact O-CB 3.44Å; F180-A184 PolarHBondContact O-N 3.24Å; A184-E186 VanDerWaalsContact C-N 3.26Å; A184-E186 PolarHBondContact O-N 3.09Å; A184-T187 WeakPolarHBondContact O-CB 3.18Å; A184-T187 PolarHBondContact O-N 2.75Å; A184-F188 WeakPolarHBondContact O-CD2 3.21Å; A184-F188 WeakPolarHBondContact O-CE2 3.49Å
185L97.8Very high96.4Very high7 Ų745.8 Ų45.84%0.03723%0.233CC..Hα-helixtrans-60.9-35.1179.6-171.866.2000112.2A17 M18 M21 V181 Q182 T187 F188 R189A17-L185 HydrophobicContact CB-CD2 4.29Å; M18-L185 HydrophobicContact CB-CD1 4.28Å; M21-L185 HydrophobicContact CB-CD1 4.17Å; M21-L185 HydrophobicContact CB-CD2 4.26Å; M21-L185 HydrophobicContact CE-CD1 3.56Å; M21-L185 HydrophobicContact CE-CG 4.13Å; M21-L185 HydrophobicContact SD-CD1 3.63Å; M21-L185 HydrophobicContact SD-CD2 4.09Å; M21-L185 HydrophobicContact SD-CG 3.56Å; M21-L185 VanDerWaalsContact SD-CG 3.56Å; V181-L185 VanDerWaalsContact O-CB 3.32Å; V181-L185 WeakPolarHBondContact O-CB 3.32Å; V181-L185 PolarHBondContact O-N 2.8Å; Q182-L185 WeakPolarHBondContact O-CB 3.37Å; Q182-L185 PolarHBondContact O-N 3.14Å; L185-T187 PolarHBondContact O-N 2.84Å; L185-F188 PolarHBondContact O-N 3.34Å; L185-R189 PolarHBondContact O-N 3.27Å
186E97.8Very high96.3Very high73 Ų7341.6 Ų41.634%0.34121%0.207SC..Hα-helixtrans-61.1-28.6177.9-68.3-54128.300113.5T156 Q182 A184 F188 R189T156-E186 HydrophobicContact CG2-CB 3.88Å; T156-E186 HydrophobicContact CG2-CG 4.45Å; Q182-E186 PolarHBondContact O-N 3.2Å; A184-E186 VanDerWaalsContact C-N 3.26Å; A184-E186 PolarHBondContact O-N 3.09Å; E186-F188 PolarHBondContact O-N 3.2Å; E186-R189 IonicContact OE1-CZ 3.45Å; E186-R189 VanDerWaalsContact OE1-CZ 3.24Å; E186-R189 IonicContact OE1-NE 3.36Å; E186-R189 PolarHBondContact OE1-NE 3.04Å; E186-R189 IonicContact OE1-NH2 2.71Å; E186-R189 PolarHBondContact OE1-NH2 3.48Å; E186-R189 IonicContact OE2-NE 3.96Å; E186-R189 PolarHBondContact OE2-NE 3.26Å
187T98Very high96.1Very high2 Ų244 Ų441%0.01222%0.22CC..THydrogen-bonded Turntrans-62.6-27.7175-66.90000112.6I154 F155 A184 L185 C220I154-T187 HydrophobicContact CB-CG2 4.42Å; I154-T187 HydrophobicContact CD1-CG2 4.2Å; I154-T187 HydrophobicContact CG1-CG2 4.23Å; I154-T187 WeakPolarHBondContact O-CA 3.38Å; I154-T187 WeakPolarHBondContact O-CB 3.34Å; I154-T187 WeakPolarHBondContact O-CG2 3.2Å; I154-T187 PolarHBondContact O-OG1 2.75Å; F155-T187 HydrophobicContact CD1-CG2 4.17Å; F155-T187 HydrophobicContact CE1-CG2 4.1Å; A184-T187 WeakPolarHBondContact O-CB 3.18Å; A184-T187 PolarHBondContact O-N 2.75Å; L185-T187 PolarHBondContact O-N 2.84Å; T187-C220 VanDerWaalsContact CG2-SG 3.59Å; T187-C220 PolarHBondContact O-N 2.98Å
188F97.7Very high95.9Very high0 Ų046.2 Ų46.20%023%0.231CC..THydrogen-bonded Turntrans-108.30.1-172.7-49.7-68.5000113.9F14 M18 M21 I71 L82 M85 F86 A184 L185 E186 H221 I222F14-F188 HydrophobicContact CE2-CD2 4.22Å; F14-F188 AromaticContact CE2-CE2 3.98Å; F14-F188 HydrophobicContact CE2-CE2 3.98Å; F14-F188 AromaticContact CZ-CD2 3.83Å; F14-F188 HydrophobicContact CZ-CD2 3.83Å; F14-F188 AromaticContact CZ-CE2 3.47Å; F14-F188 HydrophobicContact CZ-CE2 3.47Å; F14-F188 VanDerWaalsContact CZ-CE2 3.47Å; F14-F188 HydrophobicContact CZ-CZ 4.32Å; M18-F188 HydrophobicContact CE-CB 4.3Å; M18-F188 HydrophobicContact CE-CD2 3.73Å; M18-F188 HydrophobicContact CE-CE2 4.26Å; M18-F188 HydrophobicContact CE-CG 3.98Å; M21-F188 HydrophobicContact CE-CB 4.22Å; I71-F188 HydrophobicContact CD1-CD1 4.3Å; I71-F188 HydrophobicContact CD1-CE1 3.61Å; I71-F188 HydrophobicContact CG2-CD1 3.9Å; I71-F188 HydrophobicContact CG2-CE1 4.26Å; L82-F188 HydrophobicContact CD2-CE1 3.87Å; L82-F188 HydrophobicContact CD2-CZ 3.68Å; M85-F188 HydrophobicContact SD-CE2 3.95Å; M85-F188 HydrophobicContact SD-CZ 3.83Å; F86-F188 HydrophobicContact CE1-CZ 4.5Å; F86-F188 HydrophobicContact CZ-CZ 4.15Å; A184-F188 WeakPolarHBondContact O-CD2 3.21Å; A184-F188 WeakPolarHBondContact O-CE2 3.49Å; L185-F188 PolarHBondContact O-N 3.34Å; E186-F188 PolarHBondContact O-N 3.2Å; F188-H221 VanDerWaalsContact O-CA 3.3Å; F188-H221 WeakPolarHBondContact O-CA 3.46Å; F188-I222 HydrophobicContact CB-CD1 4.45Å; F188-I222 HydrophobicContact CB-CG1 3.93Å; F188-I222 PolarHBondContact O-N 3.06Å
189R96Very high95.7Very high72 Ų7249.4 Ų49.427%0.27225%0.246SC..  trans-69.8139.6-178.8-172.3177.6-61.7-67.3-0.6111.3M21 L185 E186 H191M21-R189 HydrophobicContact SD-CB 3.87Å; M21-R189 HydrophobicContact SD-CG 4.04Å; M21-R189 PolarHBondContact SD-NH1 3.3Å; M21-R189 VanDerWaalsContact SD-NH1 3.38Å; L185-R189 PolarHBondContact O-N 3.27Å; E186-R189 IonicContact OE1-CZ 3.45Å; E186-R189 VanDerWaalsContact OE1-CZ 3.24Å; E186-R189 IonicContact OE1-NE 3.36Å; E186-R189 PolarHBondContact OE1-NE 3.04Å; E186-R189 IonicContact OE1-NH2 2.71Å; E186-R189 PolarHBondContact OE1-NH2 3.48Å; E186-R189 IonicContact OE2-NE 3.96Å; E186-R189 PolarHBondContact OE2-NE 3.26Å; R189-H191 PolarHBondContact O-ND1 3.36Å
190W94.3Very high95.5Very high24 Ų2446.3 Ų46.39%0.09123%0.232CC..  trans-67.8134172.3176.1-104.2000111.5E25 F217 H221 E272 T285E25-W190 HydrophobicContact CG-CB 4.4Å; E25-W190 PolarHBondContact OE1-N 2.85Å; E25-W190 WeakPolarHBondContact OE2-CB 3.43Å; W190-F217 HydrophobicContact CH2-CD1 4.21Å; W190-F217 AromaticContact CH2-CE1 3.46Å; W190-F217 HydrophobicContact CH2-CE1 3.46Å; W190-F217 VanDerWaalsContact CH2-CE1 3.46Å; W190-F217 HydrophobicContact CH2-CE2 4.48Å; W190-F217 AromaticContact CH2-CZ 3.61Å; W190-F217 HydrophobicContact CH2-CZ 3.61Å; W190-F217 AromaticContact CZ2-CE1 3.92Å; W190-F217 HydrophobicContact CZ2-CE1 3.92Å; W190-F217 HydrophobicContact CZ2-CZ 4.38Å; W190-F217 HydrophobicContact CZ3-CD1 4.44Å; W190-F217 HydrophobicContact CZ3-CE1 4.09Å; W190-F217 HydrophobicContact CZ3-CZ 4.28Å; W190-H221 HydrophobicContact CE3-CB 3.98Å; W190-H221 AromaticContact CE3-CD2 3.71Å; W190-H221 AromaticContact CE3-CG 3.58Å; W190-H221 AromaticContact CE3-ND1 3.96Å; W190-H221 AromaticContact CZ3-CD2 3.67Å; W190-H221 AromaticContact CZ3-CE1 3.73Å; W190-H221 AromaticContact CZ3-CG 3.83Å; W190-H221 AromaticContact CZ3-ND1 3.88Å; W190-H221 AromaticContact CZ3-NE2 3.6Å; W190-E272 WeakPolarHBondContact CH2-OE2 3.42Å; W190-E272 HydrophobicContact CZ2-CB 4.16Å; W190-E272 WeakPolarHBondContact CZ2-OE2 3.34Å; W190-E272 PolarHBondContact NE1-OE2 2.98Å; W190-T285 HydrophobicContact CH2-CG2 3.75Å; W190-T285 HydrophobicContact CZ2-CG2 4.19Å
191H92.3Very high95.3Very high68 Ų6846.6 Ų46.632%0.31523%0.233SC..  trans-123.5118175.6-68.481.9000109.6R189 S193 F217 P218R189-H191 PolarHBondContact O-ND1 3.36Å; H191-S193 VanDerWaalsContact C-N 3.26Å; H191-S193 PolarHBondContact O-N 3.19Å; H191-F217 WeakPolarHBondContact O-CD1 3.21Å; H191-P218 HydrophobicContact CB-CG 3.98Å
192Q90.6Very high95Very high108 Ų10853 Ų5351%0.50526%0.256SS..SBendtrans-67.3-25.8-179.1-69.5179.8-5.100113.4V274 L275Q192-V274 WeakPolarHBondContact O-CA 3.17Å; Q192-L275 PolarHBondContact O-N 3.23Å
193S92Very high94.9Very high73 Ų7349.3 Ų49.351%0.5125%0.245SC..BIsolated β-bridgetrans-85.6119.7-178.3-600000111.2H191H191-S193 VanDerWaalsContact C-N 3.26Å; H191-S193 PolarHBondContact O-N 3.19Å
194A93.6Very high94.7Very high13 Ų1346.9 Ų46.911%0.10723%0.233CC..  trans-71.4152.3171.400000111.5V196 C216 V274 L275 F276A194-V196 VanDerWaalsContact C-N 3.29Å; A194-V196 HydrophobicContact CB-CG2 4.45Å; A194-C216 CarbonylContact C-O 3.54Å; A194-C216 WeakPolarHBondContact CA-O 3.39Å; A194-C216 WeakPolarHBondContact CB-O 3.48Å; A194-V274 HydrophobicContact CB-CG1 3.94Å; A194-L275 PolarHBondContact N-O 3.44Å; A194-F276 HydrophobicContact CB-CD1 3.74Å; A194-F276 HydrophobicContact CB-CE1 3.68Å
195T94.5Very high94.4Very high70 Ų7049 Ų4943%0.42924%0.243SC..SBendtrans-86.40.1177.6560000113.4C216 P218T195-C216 PolarHBondContact N-O 3.17Å; T195-C216 VanDerWaalsContact OG1-C 3.29Å; T195-C216 PolarHBondContact OG1-O 2.94Å; T195-P218 HydrophobicContact CG2-CB 4.26Å; T195-P218 HydrophobicContact CG2-CG 3.84Å
196V94.2Very high94.1Very high15 Ų1555.1 Ų55.19%0.09128%0.276CS..SBendtrans-127.5165-175.4-60.40000110.8I148 A194 T200 C216 F276I148-V196 HydrophobicContact CD1-CG1 3.51Å; I148-V196 HydrophobicContact CG1-CG1 4.02Å; I148-V196 HydrophobicContact CG2-CG1 4.09Å; A194-V196 VanDerWaalsContact C-N 3.29Å; A194-V196 HydrophobicContact CB-CG2 4.45Å; V196-T200 HydrophobicContact CB-CG2 3.82Å; V196-T200 HydrophobicContact CG1-CG2 3.93Å; V196-T200 HydrophobicContact CG2-CG2 4.21Å; V196-C216 HydrophobicContact CG2-CB 3.79Å; V196-F276 WeakPolarHBondContact O-CD1 3.4Å
197D93.6Very high93.8Very high76 Ų7654.6 Ų54.641%0.40627%0.274SS..  trans-72.2163.1167.263.481.2000112E199 T200 Y201D197-E199 VanDerWaalsContact C-N 3.31Å; D197-E199 PolarHBondContact O-N 2.97Å; D197-E199 WeakPolarHBondContact OD1-CA 3.31Å; D197-E199 WeakPolarHBondContact OD1-CB 3.31Å; D197-E199 PolarHBondContact OD1-N 2.82Å; D197-T200 WeakPolarHBondContact O-CB 3.44Å; D197-T200 PolarHBondContact O-N 3.47Å; D197-T200 PolarHBondContact OD1-N 3.39Å; D197-T200 PolarHBondContact OD1-OG1 3.36Å; D197-T200 PolarHBondContact OD2-OG1 2.52Å; D197-Y201 PolarHBondContact O-N 2.96Å
198E93Very high93.4Very high47 Ų4755.8 Ų55.822%0.2228%0.279CS..Hα-helixtrans-61.1-36.5-177.9-172.9-167.6178.500113.1Y201 R202 F276 Q279E198-Y201 PolarHBondContact O-N 2.83Å; E198-R202 HydrophobicContact CG-CG 4.44Å; E198-R202 WeakPolarHBondContact O-CB 3.28Å; E198-R202 VanDerWaalsContact O-CG 3.3Å; E198-R202 WeakPolarHBondContact O-CG 3.48Å; E198-R202 PolarHBondContact O-N 2.83Å; E198-R202 IonicContact OE1-CZ 3.92Å; E198-R202 VanDerWaalsContact OE1-CZ 3.22Å; E198-R202 IonicContact OE1-NE 3.22Å; E198-R202 PolarHBondContact OE1-NE 3.12Å; E198-R202 IonicContact OE1-NH2 2.88Å; E198-R202 PolarHBondContact OE1-NH2 2.94Å; E198-F276 HydrophobicContact CB-CB 4.49Å; E198-F276 HydrophobicContact CB-CD1 4.38Å; E198-F276 HydrophobicContact CB-CD2 3.7Å; E198-F276 HydrophobicContact CB-CE2 3.98Å; E198-F276 HydrophobicContact CB-CG 3.93Å; E198-F276 HydrophobicContact CB-CZ 4.43Å; E198-F276 HydrophobicContact CG-CD2 3.87Å; E198-F276 HydrophobicContact CG-CE2 3.73Å; E198-F276 HydrophobicContact CG-CZ 4.32Å; E198-Q279 VanDerWaalsContact CB-NE2 3.34Å; E198-Q279 VanDerWaalsContact OE2-CD 3.29Å; E198-Q279 PolarHBondContact OE2-NE2 3.22Å; E198-Q279 PolarHBondContact OE2-OE1 2.89Å
199E93.5Very high93.1Very high159 Ų15959.3 Ų59.374%0.74329%0.292SS*.Hα-helixtrans-65.3-45.5-179.7-177.6-176.7178.800110.3D197 R202 A203D197-E199 VanDerWaalsContact C-N 3.31Å; D197-E199 PolarHBondContact O-N 2.97Å; D197-E199 WeakPolarHBondContact OD1-CA 3.31Å; D197-E199 WeakPolarHBondContact OD1-CB 3.31Å; D197-E199 PolarHBondContact OD1-N 2.82Å; E199-R202 PolarHBondContact O-N 3.02Å; E199-A203 WeakPolarHBondContact O-CB 3.19Å; E199-A203 PolarHBondContact O-N 3.16Å
200T94.1Very high92.9Very high2 Ų255.9 Ų55.91%0.01228%0.279CS..Hα-helixtrans-59.6-47.1173-58.40000111.7K144 I148 V196 D197 R202 A203 L204K144-T200 HydrophobicContact CD-CG2 4.04Å; K144-T200 VanDerWaalsContact CE-CG2 3.46Å; K144-T200 WeakPolarHBondContact CE-OG1 3.47Å; K144-T200 PolarHBondContact NZ-OG1 3.21Å; I148-T200 HydrophobicContact CD1-CG2 4.02Å; V196-T200 HydrophobicContact CB-CG2 3.82Å; V196-T200 HydrophobicContact CG1-CG2 3.93Å; V196-T200 HydrophobicContact CG2-CG2 4.21Å; D197-T200 WeakPolarHBondContact O-CB 3.44Å; D197-T200 PolarHBondContact O-N 3.47Å; D197-T200 PolarHBondContact OD1-N 3.39Å; D197-T200 PolarHBondContact OD1-OG1 3.36Å; D197-T200 PolarHBondContact OD2-OG1 2.52Å; T200-R202 PolarHBondContact O-N 3.42Å; T200-A203 PolarHBondContact O-N 3.13Å; T200-L204 HydrophobicContact CG2-CD1 3.95Å; T200-L204 WeakPolarHBondContact O-CG 3.13Å; T200-L204 PolarHBondContact O-N 3.48Å
201Y94.4Very high92.9Very high6 Ų654.9 Ų54.92%0.02428%0.276CS..Hα-helixtrans-58-49.1177.2179-82000111.1D197 E198 A203 L204 H205 A212 C216 F217 V274 F276 T283D197-Y201 PolarHBondContact O-N 2.96Å; E198-Y201 PolarHBondContact O-N 2.83Å; Y201-A203 VanDerWaalsContact C-N 3.32Å; Y201-A203 PolarHBondContact O-N 3.15Å; Y201-L204 PolarHBondContact O-N 2.98Å; Y201-H205 HydrophobicContact CD1-CB 4.34Å; Y201-H205 HydrophobicContact CE1-CB 4.11Å; Y201-H205 AromaticContact CE1-ND1 3.85Å; Y201-H205 WeakPolarHBondContact O-CB 3.38Å; Y201-H205 PolarHBondContact O-N 3.33Å; Y201-A212 HydrophobicContact CE2-CB 4.25Å; Y201-C216 HydrophobicContact CD2-CB 3.69Å; Y201-C216 HydrophobicContact CE2-CB 4.19Å; Y201-F217 HydrophobicContact CE2-CE2 4.29Å; Y201-F217 HydrophobicContact CE2-CZ 4.36Å; Y201-V274 HydrophobicContact CD2-CG1 4.49Å; Y201-V274 HydrophobicContact CE2-CG1 4.15Å; Y201-F276 VanDerWaalsContact CB-CE1 3.43Å; Y201-F276 HydrophobicContact CD1-CE1 4.36Å; Y201-F276 AromaticContact CD1-CZ 3.81Å; Y201-F276 HydrophobicContact CD1-CZ 3.81Å; Y201-F276 AromaticContact CD2-CE1 3.79Å; Y201-F276 HydrophobicContact CD2-CE1 3.79Å; Y201-F276 AromaticContact CD2-CZ 3.92Å; Y201-F276 HydrophobicContact CD2-CZ 3.92Å; Y201-F276 HydrophobicContact CE1-CZ 4.47Å; Y201-F276 AromaticContact CG-CE1 3.61Å; Y201-F276 HydrophobicContact CG-CE1 3.61Å; Y201-F276 AromaticContact CG-CZ 3.52Å; Y201-F276 HydrophobicContact CG-CZ 3.52Å; Y201-T283 HydrophobicContact CD1-CG2 4.05Å; Y201-T283 HydrophobicContact CE1-CG2 3.56Å
202R93.4Very high92.9Very high136 Ų13651.7 Ų51.751%0.51326%0.261SS..Hα-helixtrans-60.6-41.5179.1-75.1176.2-179-88.61111.7E198 E199 T200 H205 N206E198-R202 HydrophobicContact CG-CG 4.44Å; E198-R202 WeakPolarHBondContact O-CB 3.28Å; E198-R202 VanDerWaalsContact O-CG 3.3Å; E198-R202 WeakPolarHBondContact O-CG 3.48Å; E198-R202 PolarHBondContact O-N 2.83Å; E198-R202 IonicContact OE1-CZ 3.92Å; E198-R202 VanDerWaalsContact OE1-CZ 3.22Å; E198-R202 IonicContact OE1-NE 3.22Å; E198-R202 PolarHBondContact OE1-NE 3.12Å; E198-R202 IonicContact OE1-NH2 2.88Å; E198-R202 PolarHBondContact OE1-NH2 2.94Å; E199-R202 PolarHBondContact O-N 3.02Å; T200-R202 PolarHBondContact O-N 3.42Å; R202-H205 PolarHBondContact O-N 3.31Å; R202-N206 WeakPolarHBondContact O-CB 3.41Å; R202-N206 PolarHBondContact O-N 3.19Å; R202-N206 PolarHBondContact O-ND2 2.73Å
203A95.1Very high93Very high33 Ų3347.5 Ų47.527%0.27324%0.242SC..Hα-helixtrans-63.7-47.3178.600000112L141 E199 T200 Y201 H205 N206 E207L141-A203 HydrophobicContact CD1-CB 4.26Å; L141-A203 HydrophobicContact CD2-CB 3.67Å; E199-A203 WeakPolarHBondContact O-CB 3.19Å; E199-A203 PolarHBondContact O-N 3.16Å; T200-A203 PolarHBondContact O-N 3.13Å; Y201-A203 VanDerWaalsContact C-N 3.32Å; Y201-A203 PolarHBondContact O-N 3.15Å; A203-H205 VanDerWaalsContact C-N 3.33Å; A203-H205 PolarHBondContact O-N 3.36Å; A203-N206 PolarHBondContact O-N 3.03Å; A203-E207 PolarHBondContact O-N 2.78Å; A203-E207 VanDerWaalsContact O-N 3.13Å
204L94.8Very high93.2Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-66.5-35.5176.6-66.6170000112.2L141 A145 I148 T200 Y201 E207 H208 I211 A212 V215L141-L204 HydrophobicContact CB-CD2 4.37Å; A145-L204 HydrophobicContact CB-CD2 4.19Å; I148-L204 HydrophobicContact CD1-CD1 4.38Å; T200-L204 HydrophobicContact CG2-CD1 3.95Å; T200-L204 WeakPolarHBondContact O-CG 3.13Å; T200-L204 PolarHBondContact O-N 3.48Å; Y201-L204 PolarHBondContact O-N 2.98Å; L204-E207 PolarHBondContact O-N 2.72Å; L204-H208 PolarHBondContact O-N 3.16Å; L204-H208 VanDerWaalsContact O-N 3.13Å; L204-H208 VanDerWaalsContact O-O 3.05Å; L204-I211 HydrophobicContact CB-CG2 4.2Å; L204-I211 HydrophobicContact CD2-CG2 3.78Å; L204-A212 HydrophobicContact CB-CB 4.23Å; L204-V215 HydrophobicContact CD1-CB 4.08Å; L204-V215 HydrophobicContact CD1-CG1 3.68Å
205H91.9Very high93.4Very high45 Ų4543.6 Ų43.621%0.20821%0.214CC..Hα-helixtrans-68.2-40.6178.9-172.797.1000111.9Y201 R202 A203 E207 H208 R209 A212Y201-H205 HydrophobicContact CD1-CB 4.34Å; Y201-H205 HydrophobicContact CE1-CB 4.11Å; Y201-H205 AromaticContact CE1-ND1 3.85Å; Y201-H205 WeakPolarHBondContact O-CB 3.38Å; Y201-H205 PolarHBondContact O-N 3.33Å; R202-H205 PolarHBondContact O-N 3.31Å; A203-H205 VanDerWaalsContact C-N 3.33Å; A203-H205 PolarHBondContact O-N 3.36Å; H205-E207 VanDerWaalsContact C-N 3.35Å; H205-H208 CarbonylContact O-C 3.35Å; H205-R209 PolarHBondContact O-N 3.14Å; H205-A212 HydrophobicContact CB-CB 3.82Å
206N92.1Very high93.5Very high135 Ų13540.3 Ų40.372%0.72219%0.193SC*.Hα-helixtrans-69.2-32.4176.8-72.4-12.5000112.5R202 A203R202-N206 WeakPolarHBondContact O-CB 3.41Å; R202-N206 PolarHBondContact O-N 3.19Å; R202-N206 PolarHBondContact O-ND2 2.73Å; A203-N206 PolarHBondContact O-N 3.03Å
207E91.3Very high93.5Very high63 Ų6339.6 Ų39.629%0.29419%0.189SC..Hα-helixtrans-64.6-55.2172.8-171.180.2-17800110.2I136 E137 N138 L141 A203 L204 H205 I211I136-E207 HydrophobicContact CG2-CG 4.03Å; E137-E207 PolarHBondContact N-OE1 3.5Å; N138-E207 PolarHBondContact N-OE1 3.19Å; L141-E207 HydrophobicContact CD1-CB 4.23Å; A203-E207 PolarHBondContact O-N 2.78Å; A203-E207 VanDerWaalsContact O-N 3.13Å; L204-E207 PolarHBondContact O-N 2.72Å; H205-E207 VanDerWaalsContact C-N 3.35Å; E207-I211 HydrophobicContact CB-CD1 4.17Å; E207-I211 HydrophobicContact CG-CD1 3.71Å
208H89.4Confident93.5Very high26 Ų2638 Ų3812%0.1218%0.183CC..  trans-164.6132.8168.4-167.2-83.9000109.7L204 H205 L210 I211 A212L204-H208 PolarHBondContact O-N 3.16Å; L204-H208 VanDerWaalsContact O-N 3.13Å; L204-H208 VanDerWaalsContact O-O 3.05Å; H205-H208 CarbonylContact O-C 3.35Å; H208-L210 WeakPolarHBondContact ND1-CB 3.48Å; H208-L210 PolarHBondContact ND1-N 3.14Å; H208-L210 VanDerWaalsContact ND1-N 3.12Å; H208-L210 PolarHBondContact O-N 2.82Å; H208-I211 HydrophobicContact CB-CD1 3.63Å; H208-I211 HydrophobicContact CB-CG1 3.94Å; H208-I211 WeakPolarHBondContact O-CA 3.42Å; H208-I211 WeakPolarHBondContact O-CB 3.43Å; H208-I211 PolarHBondContact O-N 3.26Å; H208-A212 PolarHBondContact O-N 3.5Å
209R90.4Very high93.5Very high75 Ų7536.1 Ų36.128%0.28318%0.176SC..Hα-helixtrans-55-34.1-177.8-65.4178.961.2155.18.9113.9H205 I211 A212 D213 L401H205-R209 PolarHBondContact O-N 3.14Å; R209-I211 VanDerWaalsContact C-N 3.35Å; R209-A212 PolarHBondContact O-N 3.28Å; R209-D213 PolarHBondContact O-N 3.35Å; R209-D213 VanDerWaalsContact O-N 3.09Å; R209-L401 HydrophobicContact CB-CB 4.18Å; R209-L401 HydrophobicContact CB-CD2 3.75Å; R209-L401 HydrophobicContact CB-CG 4.4Å; R209-L401 WeakPolarHBondContact CD-O 3.29Å; R209-L401 PolarHBondContact NE-O 3.27Å; R209-L401 PolarHBondContact NH1-O 3.19Å
210L91.4Very high93.5Very high0 Ų028.7 Ų28.70%014%0.142CC..Hα-helixtrans-61.4-39.1172.8-167.1147.4000112.8V104 V106 L131 H208 D213 V214 F397 L401V104-L210 HydrophobicContact CG1-CD1 3.55Å; V106-L210 HydrophobicContact CG1-CD1 3.77Å; V106-L210 HydrophobicContact CG1-CD2 3.42Å; V106-L210 VanDerWaalsContact CG1-CD2 3.42Å; V106-L210 HydrophobicContact CG1-CG 4.29Å; L131-L210 HydrophobicContact CD1-CD2 3.8Å; H208-L210 WeakPolarHBondContact ND1-CB 3.48Å; H208-L210 PolarHBondContact ND1-N 3.14Å; H208-L210 VanDerWaalsContact ND1-N 3.12Å; H208-L210 PolarHBondContact O-N 2.82Å; L210-D213 WeakPolarHBondContact O-CB 3.31Å; L210-D213 PolarHBondContact O-N 3.13Å; L210-V214 HydrophobicContact CD2-CG2 3.84Å; L210-V214 HydrophobicContact CG-CG2 4.48Å; L210-V214 WeakPolarHBondContact O-CG2 3.13Å; L210-V214 PolarHBondContact O-N 3.28Å; L210-F397 HydrophobicContact CD1-CD1 4.03Å; L210-L401 HydrophobicContact CB-CD1 3.73Å; L210-L401 HydrophobicContact CD1-CD1 4.29Å
211I94.3Very high93.5Very high3 Ų329.2 Ų29.22%0.01514%0.144CC..Hα-helixtrans-63.4-46.9-179.3-64.1165000109.2P105 L131 I136 L204 E207 H208 R209 D213 V214 V215P105-I211 HydrophobicContact CG-CG1 4.25Å; L131-I211 HydrophobicContact CD1-CG1 4.1Å; I136-I211 HydrophobicContact CD1-CD1 3.95Å; I136-I211 HydrophobicContact CD1-CG1 4.29Å; I136-I211 HydrophobicContact CD1-CG2 4.01Å; I136-I211 HydrophobicContact CG1-CD1 3.71Å; I136-I211 HydrophobicContact CG1-CG1 4.4Å; L204-I211 HydrophobicContact CB-CG2 4.2Å; L204-I211 HydrophobicContact CD2-CG2 3.78Å; E207-I211 HydrophobicContact CB-CD1 4.17Å; E207-I211 HydrophobicContact CG-CD1 3.71Å; H208-I211 HydrophobicContact CB-CD1 3.63Å; H208-I211 HydrophobicContact CB-CG1 3.94Å; H208-I211 WeakPolarHBondContact O-CA 3.42Å; H208-I211 WeakPolarHBondContact O-CB 3.43Å; H208-I211 PolarHBondContact O-N 3.26Å; R209-I211 VanDerWaalsContact C-N 3.35Å; I211-D213 VanDerWaalsContact C-N 3.34Å; I211-D213 PolarHBondContact O-N 2.92Å; I211-V214 PolarHBondContact O-N 3.07Å; I211-V215 HydrophobicContact CG2-CG2 3.96Å; I211-V215 VanDerWaalsContact O-CB 3.29Å; I211-V215 WeakPolarHBondContact O-CB 3.4Å; I211-V215 VanDerWaalsContact O-CG2 3.24Å; I211-V215 WeakPolarHBondContact O-CG2 3.46Å; I211-V215 PolarHBondContact O-N 2.97Å
212A93.7Very high93.3Very high0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-60.6-41.9175.200000112.6Y201 L204 H205 H208 R209 V214 C216Y201-A212 HydrophobicContact CE2-CB 4.25Å; L204-A212 HydrophobicContact CB-CB 4.23Å; H205-A212 HydrophobicContact CB-CB 3.82Å; H208-A212 PolarHBondContact O-N 3.5Å; R209-A212 PolarHBondContact O-N 3.28Å; A212-V214 VanDerWaalsContact C-N 3.29Å; A212-V214 PolarHBondContact O-N 3.42Å; A212-C216 WeakPolarHBondContact O-CB 3.46Å; A212-C216 PolarHBondContact O-N 3.49Å; A212-C216 PolarHBondContact O-SG 2.89Å
213D93.3Very high93.2Very high21 Ų2123.3 Ų23.311%0.11212%0.123CC..Hα-helixtrans-60.5-35.6177.3-17965.8000113R72 R209 L210 I211 F217 H221R72-D213 WeakPolarHBondContact CD-OD2 3.45Å; R72-D213 IonicContact CZ-OD2 2.82Å; R72-D213 IonicContact NE-OD2 3.73Å; R72-D213 IonicContact NH1-OD2 3.13Å; R72-D213 PolarHBondContact NH1-OD2 2.75Å; R209-D213 PolarHBondContact O-N 3.35Å; R209-D213 VanDerWaalsContact O-N 3.09Å; L210-D213 WeakPolarHBondContact O-CB 3.31Å; L210-D213 PolarHBondContact O-N 3.13Å; I211-D213 VanDerWaalsContact C-N 3.34Å; I211-D213 PolarHBondContact O-N 2.92Å; D213-F217 VanDerWaalsContact O-CD2 3.31Å; D213-F217 WeakPolarHBondContact O-CD2 3.45Å; D213-H221 PolarHBondContact O-CE1 3.24Å; D213-H221 IonicContact OD1-CD2 3.27Å; D213-H221 IonicContact OD1-CE1 3.06Å; D213-H221 PolarHBondContact OD1-CE1 3.45Å; D213-H221 IonicContact OD1-NE2 2.75Å; D213-H221 PolarHBondContact OD1-NE2 3.46Å; D213-H221 IonicContact OD2-NE2 3.77Å
214V95.7Very high93Very high4 Ų422.1 Ų22.12%0.02411%0.112CC..Hα-helixtrans-84.7-43.6179.5176.90000112.4R72 L131 L149 R152 L210 I211 A212R72-V214 HydrophobicContact CB-CG2 3.49Å; R72-V214 VanDerWaalsContact CB-CG2 3.49Å; R72-V214 HydrophobicContact CG-CG2 4.36Å; L131-V214 HydrophobicContact CB-CG1 4.18Å; L131-V214 HydrophobicContact CD2-CB 4.22Å; L131-V214 HydrophobicContact CD2-CG1 4Å; L149-V214 HydrophobicContact CD2-CG1 4.44Å; R152-V214 PolarHBondContact NH1-O 3.1Å; L210-V214 HydrophobicContact CD2-CG2 3.84Å; L210-V214 HydrophobicContact CG-CG2 4.48Å; L210-V214 WeakPolarHBondContact O-CG2 3.13Å; L210-V214 PolarHBondContact O-N 3.28Å; I211-V214 PolarHBondContact O-N 3.07Å; A212-V214 VanDerWaalsContact C-N 3.29Å; A212-V214 PolarHBondContact O-N 3.42Å
215V97.3Very high93Very high0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-84.9-35.7-167.9176.80000112.1L131 A145 I148 L149 L204 I211 F217L131-V215 HydrophobicContact CD2-CG2 3.92Å; A145-V215 HydrophobicContact CB-CG1 4.16Å; A145-V215 HydrophobicContact CB-CG2 3.97Å; I148-V215 HydrophobicContact CB-CG1 3.87Å; I148-V215 HydrophobicContact CD1-CG1 3.81Å; I148-V215 HydrophobicContact CG1-CG1 4.48Å; I148-V215 HydrophobicContact CG2-CG1 3.84Å; I148-V215 VanDerWaalsContact CG2-O 3.24Å; I148-V215 WeakPolarHBondContact CG2-O 3.19Å; L149-V215 HydrophobicContact CD1-CG2 4.06Å; L149-V215 HydrophobicContact CD2-CG2 4.33Å; L149-V215 HydrophobicContact CG-CG2 4.17Å; L204-V215 HydrophobicContact CD1-CB 4.08Å; L204-V215 HydrophobicContact CD1-CG1 3.68Å; I211-V215 HydrophobicContact CG2-CG2 3.96Å; I211-V215 VanDerWaalsContact O-CB 3.29Å; I211-V215 WeakPolarHBondContact O-CB 3.4Å; I211-V215 VanDerWaalsContact O-CG2 3.24Å; I211-V215 WeakPolarHBondContact O-CG2 3.46Å; I211-V215 PolarHBondContact O-N 2.97Å; V215-F217 VanDerWaalsContact C-N 3.34Å; V215-F217 PolarHBondContact O-N 3.39Å
216C96.2Very high93.2Very high0 Ų020 Ų200%010%0.102CC..SBendtrans-86.91.7-166.8-57.70000114.6A194 T195 V196 Y201 A212A194-C216 CarbonylContact C-O 3.54Å; A194-C216 WeakPolarHBondContact CA-O 3.39Å; A194-C216 WeakPolarHBondContact CB-O 3.48Å; T195-C216 PolarHBondContact N-O 3.17Å; T195-C216 VanDerWaalsContact OG1-C 3.29Å; T195-C216 PolarHBondContact OG1-O 2.94Å; V196-C216 HydrophobicContact CG2-CB 3.79Å; Y201-C216 HydrophobicContact CD2-CB 3.69Å; Y201-C216 HydrophobicContact CE2-CB 4.19Å; A212-C216 WeakPolarHBondContact O-CB 3.46Å; A212-C216 PolarHBondContact O-N 3.49Å; A212-C216 PolarHBondContact O-SG 2.89Å
217F95.4Very high93.5Very high1 Ų113.8 Ų13.80%0.0047%0.069CC..SBendtrans-120.3153.5-174.4-66-86.2000112.3R152 W190 H191 Y201 D213 V215 G219 H221 V274R152-F217 PolarHBondContact NH1-O 3.12Å; W190-F217 HydrophobicContact CH2-CD1 4.21Å; W190-F217 AromaticContact CH2-CE1 3.46Å; W190-F217 HydrophobicContact CH2-CE1 3.46Å; W190-F217 VanDerWaalsContact CH2-CE1 3.46Å; W190-F217 HydrophobicContact CH2-CE2 4.48Å; W190-F217 AromaticContact CH2-CZ 3.61Å; W190-F217 HydrophobicContact CH2-CZ 3.61Å; W190-F217 AromaticContact CZ2-CE1 3.92Å; W190-F217 HydrophobicContact CZ2-CE1 3.92Å; W190-F217 HydrophobicContact CZ2-CZ 4.38Å; W190-F217 HydrophobicContact CZ3-CD1 4.44Å; W190-F217 HydrophobicContact CZ3-CE1 4.09Å; W190-F217 HydrophobicContact CZ3-CZ 4.28Å; H191-F217 WeakPolarHBondContact O-CD1 3.21Å; Y201-F217 HydrophobicContact CE2-CE2 4.29Å; Y201-F217 HydrophobicContact CE2-CZ 4.36Å; D213-F217 VanDerWaalsContact O-CD2 3.31Å; D213-F217 WeakPolarHBondContact O-CD2 3.45Å; V215-F217 VanDerWaalsContact C-N 3.34Å; V215-F217 PolarHBondContact O-N 3.39Å; F217-G219 VanDerWaalsContact C-N 3.32Å; F217-G219 PolarHBondContact O-N 3.19Å; F217-H221 AromaticContact CD2-CE1 3.81Å; F217-H221 AromaticContact CG-CE1 3.87Å; F217-V274 HydrophobicContact CE1-CG1 4.16Å; F217-V274 HydrophobicContact CE1-CG2 4.34Å; F217-V274 HydrophobicContact CZ-CG1 4.06Å; F217-V274 HydrophobicContact CZ-CG2 3.92Å
218P92.4Very high93.8Very high43 Ų4311.4 Ų11.428%0.2796%0.057SC..SBendtrans-63-34.3-175.6-22.933.4000114.4H191 T195H191-P218 HydrophobicContact CB-CG 3.98Å; T195-P218 HydrophobicContact CG2-CB 4.26Å; T195-P218 HydrophobicContact CG2-CG 3.84Å
219G92.5Very high94.2Very high7 Ų710.1 Ų10.17%0.0725%0.052CC..SBendtrans-129-160.8-174.500000113F217F217-G219 VanDerWaalsContact C-N 3.32Å; F217-G219 PolarHBondContact O-N 3.19Å
220C94.4Very high94.6Very high3 Ų37.8 Ų7.82%0.025%0.045CC..  trans-115.771.1174.756.20000110.1R72 V73 T187R72-C220 WeakPolarHBondContact O-CB 3.48Å; V73-C220 HydrophobicContact CG1-CB 4.09Å; T187-C220 VanDerWaalsContact CG2-SG 3.59Å; T187-C220 PolarHBondContact O-N 2.98Å
221H93.6Very high94.8Very high12 Ų1210.1 Ų10.16%0.0566%0.057CC..  trans-53.9151.6-17851.3-91000113F188 W190 D213 F217 N223F188-H221 VanDerWaalsContact O-CA 3.3Å; F188-H221 WeakPolarHBondContact O-CA 3.46Å; W190-H221 HydrophobicContact CE3-CB 3.98Å; W190-H221 AromaticContact CE3-CD2 3.71Å; W190-H221 AromaticContact CE3-CG 3.58Å; W190-H221 AromaticContact CE3-ND1 3.96Å; W190-H221 AromaticContact CZ3-CD2 3.67Å; W190-H221 AromaticContact CZ3-CE1 3.73Å; W190-H221 AromaticContact CZ3-CG 3.83Å; W190-H221 AromaticContact CZ3-ND1 3.88Å; W190-H221 AromaticContact CZ3-NE2 3.6Å; D213-H221 PolarHBondContact O-CE1 3.24Å; D213-H221 IonicContact OD1-CD2 3.27Å; D213-H221 IonicContact OD1-CE1 3.06Å; D213-H221 PolarHBondContact OD1-CE1 3.45Å; D213-H221 IonicContact OD1-NE2 2.75Å; D213-H221 PolarHBondContact OD1-NE2 3.46Å; D213-H221 IonicContact OD2-NE2 3.77Å; F217-H221 AromaticContact CD2-CE1 3.81Å; F217-H221 AromaticContact CG-CE1 3.87Å; H221-N223 PolarHBondContact O-N 3.24Å
222I91.5Very high94.9Very high1 Ų110 Ų101%0.0056%0.056CC..  trans-60.7119.8176.6-58.3170.3000109.2M18 M21 Y22 F188 H224 L225 R287M18-I222 HydrophobicContact CE-CD1 4.29Å; M18-I222 HydrophobicContact CG-CD1 3.27Å; M18-I222 HydrophobicContact CG-CG1 4.38Å; M18-I222 HydrophobicContact SD-CD1 3.7Å; M18-I222 HydrophobicContact SD-CG1 4.23Å; M21-I222 HydrophobicContact CE-CD1 3.64Å; M21-I222 HydrophobicContact CE-CG1 4.43Å; Y22-I222 HydrophobicContact CD2-CB 4.12Å; Y22-I222 HydrophobicContact CD2-CD1 4.36Å; Y22-I222 HydrophobicContact CD2-CG2 3.89Å; Y22-I222 HydrophobicContact CE2-CB 4.38Å; Y22-I222 HydrophobicContact CE2-CG2 3.96Å; F188-I222 HydrophobicContact CB-CD1 4.45Å; F188-I222 HydrophobicContact CB-CG1 3.93Å; F188-I222 PolarHBondContact O-N 3.06Å; I222-H224 VanDerWaalsContact CG2-C 3.48Å; I222-H224 WeakPolarHBondContact CG2-O 3.45Å; I222-L225 HydrophobicContact CG2-CB 4.31Å; I222-R287 PolarHBondContact O-NH2 3.48Å
223N89.8Confident94.9Very high17 Ų1712.1 Ų12.19%0.0917%0.068CC..SBendtrans-69.4-50.3175.3-171.4-99000110.6A70 R72 H221A70-N223 HydrophobicContact CB-CB 4.37Å; A70-N223 WeakPolarHBondContact O-CB 3.38Å; A70-N223 PolarHBondContact O-N 2.79Å; R72-N223 VanDerWaalsContact CZ-ND2 3.28Å; R72-N223 PolarHBondContact NH1-ND2 2.98Å; R72-N223 PolarHBondContact NH2-ND2 3.45Å; H221-N223 PolarHBondContact O-N 3.24Å
224H91.8Very high95Very high9 Ų916.9 Ų16.94%0.0428%0.084CC..EExtended strand (participates in β ladder)trans-152.3156.817353.2-99.5000109.9H68 G69 A70 I222 T226 F288 E290H68-H224 AromaticContact NE2-CD2 3.87Å; H68-H224 AromaticContact NE2-NE2 3.66Å; G69-H224 WeakPolarHBondContact CA-O 3.47Å; A70-H224 WeakPolarHBondContact CB-CE1 3.38Å; A70-H224 WeakPolarHBondContact CB-NE2 3.49Å; A70-H224 PolarHBondContact N-O 3.33Å; A70-H224 VanDerWaalsContact N-O 3.16Å; I222-H224 VanDerWaalsContact CG2-C 3.48Å; I222-H224 WeakPolarHBondContact CG2-O 3.45Å; H224-T226 PolarHBondContact CD2-OG1 2.89Å; H224-T226 VanDerWaalsContact CD2-OG1 3.3Å; H224-F288 WeakPolarHBondContact CB-O 3.29Å; H224-E290 HydrophobicContact CB-CB 4.4Å; H224-E290 IonicContact CD2-OE2 3.06Å; H224-E290 PolarHBondContact CD2-OE2 2.81Å; H224-E290 IonicContact CE1-OE2 2.7Å; H224-E290 PolarHBondContact CE1-OE2 3.3Å; H224-E290 VanDerWaalsContact CE1-OE2 3.3Å; H224-E290 IonicContact CG-OE2 3.77Å; H224-E290 IonicContact ND1-OE2 2.94Å; H224-E290 IonicContact NE2-OE2 3.24Å; H224-E290 PolarHBondContact NE2-OE2 3.02Å
225L94.9Very high95.1Very high0 Ų016.7 Ų16.70%08%0.083CC..EExtended strand (participates in β ladder)trans-125.3118.9169.9-163.469000107.7M18 S19 Y22 Y29 H68 F124 I222M18-L225 HydrophobicContact CG-CD1 4.36Å; M18-L225 HydrophobicContact CG-CD2 4.45Å; M18-L225 HydrophobicContact SD-CD1 4.11Å; S19-L225 VanDerWaalsContact CA-CD2 3.49Å; Y22-L225 HydrophobicContact CD1-CB 3.47Å; Y22-L225 VanDerWaalsContact CD1-CB 3.47Å; Y22-L225 HydrophobicContact CD1-CD2 4.2Å; Y22-L225 HydrophobicContact CD1-CG 4.49Å; Y22-L225 HydrophobicContact CE1-CB 3.73Å; Y22-L225 HydrophobicContact CG-CB 3.97Å; Y22-L225 HydrophobicContact CG-CD2 4.37Å; Y29-L225 WeakPolarHBondContact CD2-O 3.43Å; Y29-L225 HydrophobicContact CE1-CD2 4.23Å; Y29-L225 HydrophobicContact CE2-CB 4.09Å; Y29-L225 HydrophobicContact CE2-CD2 4.32Å; Y29-L225 HydrophobicContact CE2-CG 4.31Å; Y29-L225 WeakPolarHBondContact CE2-O 3.39Å; Y29-L225 WeakPolarHBondContact OH-CD2 3.44Å; H68-L225 CarbonylContact O-C 3.52Å; H68-L225 WeakPolarHBondContact O-CA 3.11Å; F124-L225 HydrophobicContact CE2-CD1 4.04Å; I222-L225 HydrophobicContact CG2-CB 4.31Å
226T96.7Very high94.9Very high0 Ų018.3 Ų18.30%09%0.09CC..EExtended strand (participates in β ladder)trans-109.8118-166-54.30000109.9R67 H68 H224 E290 E292R67-T226 CarbonylContact C-O 3.59Å; R67-T226 WeakPolarHBondContact CA-O 3.41Å; H68-T226 WeakPolarHBondContact CE1-CB 3.48Å; H68-T226 WeakPolarHBondContact CE1-CG2 3.33Å; H68-T226 PolarHBondContact CE1-OG1 3.33Å; H68-T226 VanDerWaalsContact CE1-OG1 3.26Å; H68-T226 PolarHBondContact N-O 3.33Å; H68-T226 WeakPolarHBondContact ND1-CB 3.32Å; H68-T226 WeakPolarHBondContact NE2-CB 3.21Å; H68-T226 PolarHBondContact NE2-OG1 3.23Å; H68-T226 PolarHBondContact O-N 2.82Å; H224-T226 PolarHBondContact CD2-OG1 2.89Å; H224-T226 VanDerWaalsContact CD2-OG1 3.3Å; T226-E290 HydrophobicContact CG2-CB 4.2Å; T226-E290 HydrophobicContact CG2-CG 3.86Å; T226-E290 WeakPolarHBondContact OG1-CB 3.5Å; T226-E292 HydrophobicContact CG2-CB 3.87Å; T226-E292 HydrophobicContact CG2-CG 3.79Å
227P97.3Very high94.7Very high5 Ų521.1 Ų21.13%0.03211%0.11CC..EExtended strand (participates in β ladder)trans-80.4161.7171.230.2-27.1000111.7L32 L33 V36 E290 I291 E292L32-P227 HydrophobicContact CD2-CG 3.68Å; L32-P227 HydrophobicContact CG-CG 3.98Å; L33-P227 HydrophobicContact CD2-CB 3.73Å; L33-P227 HydrophobicContact CD2-CG 4.05Å; V36-P227 HydrophobicContact CG2-CG 4.18Å; P227-E290 WeakPolarHBondContact CD-O 3.48Å; P227-I291 HydrophobicContact CG-CD1 3.76Å; P227-I291 WeakPolarHBondContact O-CD1 3.29Å; P227-E292 PolarHBondContact O-N 3Å
228R98Very high94.8Very high12 Ų1222.6 Ų22.65%0.04512%0.118CC..BIsolated β-bridgetrans-95128.7173.7-178.3178.9-179.5-171.48.1111.8V36 N40 L63 E66 E292 R294V36-R228 VanDerWaalsContact CG1-O 3.25Å; V36-R228 WeakPolarHBondContact CG1-O 3.49Å; N40-R228 PolarHBondContact ND2-O 2.79Å; L63-R228 HydrophobicContact CD1-CB 4.35Å; L63-R228 HydrophobicContact CD1-CG 3.92Å; E66-R228 HydrophobicContact CB-CB 4.08Å; E66-R228 HydrophobicContact CG-CB 3.83Å; E66-R228 HydrophobicContact CG-CG 4.5Å; E66-R228 PolarHBondContact O-N 3.46Å; E66-R228 IonicContact OE1-NH1 3.45Å; E66-R228 WeakPolarHBondContact OE2-CD 3.33Å; E66-R228 IonicContact OE2-CZ 3.53Å; E66-R228 IonicContact OE2-NE 3.93Å; E66-R228 IonicContact OE2-NH1 3.76Å; E66-R228 PolarHBondContact OE2-NH1 3.3Å; R228-E292 WeakPolarHBondContact CA-O 3.18Å; R228-R294 PolarHBondContact NH2-O 2.84Å
229T98.1Very high94.9Very high0 Ų020.6 Ų20.60%010%0.104CC..  trans-109.8154.9167.2-173.20000112N40 D231 I232 V235 I291 E292 Q293N40-T229 VanDerWaalsContact OD1-CA 3.3Å; N40-T229 WeakPolarHBondContact OD1-CA 3.37Å; N40-T229 PolarHBondContact OD1-OG1 3Å; T229-D231 PolarHBondContact OG1-N 2.78Å; T229-I232 HydrophobicContact CG2-CB 4.05Å; T229-I232 HydrophobicContact CG2-CG1 4.47Å; T229-V235 HydrophobicContact CG2-CG2 3.97Å; T229-V235 VanDerWaalsContact OG1-CG2 3.28Å; T229-V235 WeakPolarHBondContact OG1-CG2 3.49Å; T229-I291 HydrophobicContact CG2-CD1 4Å; T229-I291 HydrophobicContact CG2-CG1 3.81Å; T229-E292 PolarHBondContact N-O 2.99Å; T229-Q293 HydrophobicContact CG2-CB 4.27Å; T229-Q293 WeakPolarHBondContact O-CA 3.48Å
230L97.5Very high95Very high26 Ų2624 Ų2414%0.13613%0.125CC..SBendtrans-83.3-22.9171.1-65.4178.2000112.9N40 V43 L44 M54 L63 Q293N40-L230 HydrophobicContact CB-CD1 4.38Å; N40-L230 PolarHBondContact OD1-N 3.15Å; V43-L230 HydrophobicContact CB-CB 4.21Å; V43-L230 HydrophobicContact CB-CD1 4.29Å; V43-L230 HydrophobicContact CG1-CB 3.88Å; V43-L230 HydrophobicContact CG1-CD1 3.98Å; V43-L230 HydrophobicContact CG2-CB 4.36Å; L44-L230 HydrophobicContact CD1-CD1 4.31Å; L44-L230 HydrophobicContact CD2-CD1 3.83Å; L44-L230 HydrophobicContact CG-CD1 3.79Å; M54-L230 HydrophobicContact CE-CD2 4.07Å; M54-L230 HydrophobicContact SD-CD1 4.2Å; M54-L230 HydrophobicContact SD-CD2 3.89Å; L63-L230 HydrophobicContact CD1-CD2 4.15Å; L63-L230 HydrophobicContact CD1-CG 4.34Å; L63-L230 HydrophobicContact CD2-CD1 3.82Å; L63-L230 HydrophobicContact CD2-CD2 4.14Å; L63-L230 HydrophobicContact CD2-CG 3.91Å; L230-Q293 VanDerWaalsContact O-CD 3.29Å; L230-Q293 PolarHBondContact O-NE2 3.49Å; L230-Q293 PolarHBondContact O-OE1 3.09Å
231D97Very high95Very high49 Ų4931.2 Ų31.226%0.26216%0.159SC..  trans-142.493.9-179.8-170.3-25000111V39 V43 T229 D233 R234 V235V39-D231 HydrophobicContact CG1-CB 4.16Å; V43-D231 HydrophobicContact CG2-CB 3.72Å; T229-D231 PolarHBondContact OG1-N 2.78Å; D231-D233 VanDerWaalsContact C-N 3.3Å; D231-D233 PolarHBondContact O-N 2.89Å; D231-D233 PolarHBondContact OD1-N 3.17Å; D231-R234 HydrophobicContact CB-CB 4.06Å; D231-R234 PolarHBondContact O-N 3.31Å; D231-R234 PolarHBondContact OD1-N 2.93Å; D231-V235 WeakPolarHBondContact O-CG2 3.47Å; D231-V235 PolarHBondContact O-N 3.26Å; D231-V235 VanDerWaalsContact O-N 3.09Å
232I96.1Very high95Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-67.7-29.3180-163.6167.3000112.7T229 V235 Q236 I250 R263 T265 I291 Q293T229-I232 HydrophobicContact CG2-CB 4.05Å; T229-I232 HydrophobicContact CG2-CG1 4.47Å; I232-V235 PolarHBondContact O-N 2.99Å; I232-Q236 WeakPolarHBondContact O-CB 3.43Å; I232-Q236 PolarHBondContact O-N 2.92Å; I232-I250 HydrophobicContact CD1-CG2 4.35Å; I232-I250 HydrophobicContact CG2-CD1 4.31Å; I232-R263 HydrophobicContact CD1-CB 4.28Å; I232-R263 WeakPolarHBondContact CD1-O 3.44Å; I232-R263 HydrophobicContact CG2-CB 4.03Å; I232-T265 HydrophobicContact CD1-CG2 4.3Å; I232-T265 HydrophobicContact CG1-CG2 4.43Å; I232-I291 HydrophobicContact CD1-CG2 4.36Å; I232-I291 HydrophobicContact CG1-CG2 4.35Å; I232-Q293 HydrophobicContact CB-CB 3.96Å; I232-Q293 HydrophobicContact CG2-CB 4.26Å
233D94Very high95Very high45 Ų4536.2 Ų36.224%0.24121%0.205CC..Hα-helixtrans-68.9-40.9179-60.8-56000109.4D231 S237 I250 R255 R263D231-D233 VanDerWaalsContact C-N 3.3Å; D231-D233 PolarHBondContact O-N 2.89Å; D231-D233 PolarHBondContact OD1-N 3.17Å; D233-S237 PolarHBondContact O-N 2.88Å; D233-S237 VanDerWaalsContact O-N 3.07Å; D233-I250 WeakPolarHBondContact OD1-CD1 3.29Å; D233-R255 WeakPolarHBondContact OD2-CD 3.28Å; D233-R255 VanDerWaalsContact OD2-CG 3.29Å; D233-R255 WeakPolarHBondContact OD2-CG 3.37Å; D233-R263 IonicContact OD1-CZ 3.42Å; D233-R263 IonicContact OD1-NH1 2.75Å; D233-R263 PolarHBondContact OD1-NH1 3Å; D233-R263 VanDerWaalsContact OD1-NH1 3.13Å; D233-R263 IonicContact OD1-NH2 3.18Å; D233-R263 PolarHBondContact OD1-NH2 2.77Å; D233-R263 IonicContact OD2-CZ 3.49Å; D233-R263 IonicContact OD2-NH1 2.81Å; D233-R263 PolarHBondContact OD2-NH1 3.24Å; D233-R263 IonicContact OD2-NH2 2.92Å
234R95.8Very high95.1Very high121 Ų12135.6 Ų35.646%0.45720%0.202SC..Hα-helixtrans-65.5-46.8174.6-175.959-179.3153.61.9111.7V39 D231 Q236 S237 M238V39-R234 HydrophobicContact CG1-CB 3.97Å; V39-R234 HydrophobicContact CG1-CG 3.92Å; V39-R234 HydrophobicContact CG2-CG 3.88Å; D231-R234 HydrophobicContact CB-CB 4.06Å; D231-R234 PolarHBondContact O-N 3.31Å; D231-R234 PolarHBondContact OD1-N 2.93Å; R234-Q236 PolarHBondContact O-N 3.42Å; R234-S237 PolarHBondContact NH1-OG 3.16Å; R234-S237 PolarHBondContact O-N 3.04Å; R234-S237 PolarHBondContact O-OG 3.27Å; R234-M238 HydrophobicContact CG-SD 4.17Å; R234-M238 PolarHBondContact NE-SD 2.98Å; R234-M238 PolarHBondContact NH2-SD 2.78Å; R234-M238 VanDerWaalsContact NH2-SD 3.41Å; R234-M238 WeakPolarHBondContact O-CG 3.15Å; R234-M238 PolarHBondContact O-N 2.93Å
235V96.3Very high95.1Very high0 Ų043.1 Ų43.10%024%0.237CC..Hα-helixtrans-58.1-49.4176.3174.10000110.9L32 L35 V36 V39 T229 D231 I232 S237 M238 M239 I291L32-V235 HydrophobicContact CD1-CG1 4.3Å; L35-V235 HydrophobicContact CD2-CG1 3.93Å; L35-V235 HydrophobicContact CG-CG1 4.33Å; V36-V235 HydrophobicContact CG2-CG2 4.4Å; V39-V235 HydrophobicContact CB-CG2 3.92Å; V39-V235 HydrophobicContact CG1-CG2 3.9Å; V39-V235 HydrophobicContact CG2-CG2 3.87Å; T229-V235 HydrophobicContact CG2-CG2 3.97Å; T229-V235 VanDerWaalsContact OG1-CG2 3.28Å; T229-V235 WeakPolarHBondContact OG1-CG2 3.49Å; D231-V235 WeakPolarHBondContact O-CG2 3.47Å; D231-V235 PolarHBondContact O-N 3.26Å; D231-V235 VanDerWaalsContact O-N 3.09Å; I232-V235 PolarHBondContact O-N 2.99Å; V235-S237 VanDerWaalsContact C-N 3.27Å; V235-S237 PolarHBondContact O-N 3.24Å; V235-M238 PolarHBondContact O-N 3.33Å; V235-M239 HydrophobicContact CG1-CE 4.05Å; V235-M239 HydrophobicContact CG1-CG 4.15Å; V235-M239 HydrophobicContact CG1-SD 4.29Å; V235-M239 WeakPolarHBondContact O-CG 3.38Å; V235-M239 PolarHBondContact O-N 2.81Å; V235-I291 HydrophobicContact CG1-CG1 4.12Å
236Q93Very high94.7Very high33 Ų3344.2 Ų44.215%0.15424%0.244CC..Hα-helixtrans-58.7-39.3179.9-168.1-17244.700111.8I232 R234 M238 P240 P246 K247 I248 I250I232-Q236 WeakPolarHBondContact O-CB 3.43Å; I232-Q236 PolarHBondContact O-N 2.92Å; R234-Q236 PolarHBondContact O-N 3.42Å; Q236-M238 VanDerWaalsContact C-N 3.3Å; Q236-M238 PolarHBondContact O-N 3.47Å; Q236-P240 WeakPolarHBondContact O-CD 3.2Å; Q236-P246 HydrophobicContact CG-CB 3.89Å; Q236-P246 HydrophobicContact CG-CG 3.89Å; Q236-K247 PolarHBondContact NE2-O 3.38Å; Q236-I248 PolarHBondContact NE2-O 2.55Å; Q236-I250 VanDerWaalsContact OE1-CD1 3.3Å
237S93.5Very high94Very high60 Ų6046.8 Ų46.842%0.4226%0.255SS..Hα-helixtrans-66.2-29.6177.875.30000113.9D233 R234 V235D233-S237 PolarHBondContact O-N 2.88Å; D233-S237 VanDerWaalsContact O-N 3.07Å; R234-S237 PolarHBondContact NH1-OG 3.16Å; R234-S237 PolarHBondContact O-N 3.04Å; R234-S237 PolarHBondContact O-OG 3.27Å; V235-S237 VanDerWaalsContact C-N 3.27Å; V235-S237 PolarHBondContact O-N 3.24Å
238M96Very high93Very high32 Ų3252.6 Ų52.616%0.15829%0.285CS..Hα-helixtrans-93.4-21.5-177.3-70.4-176.169.400113.3L35 V39 R234 V235 Q236 P240 E241 C242L35-M238 HydrophobicContact CD1-CB 3.52Å; L35-M238 HydrophobicContact CD1-CE 3.67Å; L35-M238 HydrophobicContact CD1-CG 4.29Å; L35-M238 HydrophobicContact CD1-SD 3.86Å; L35-M238 HydrophobicContact CD2-CB 4.17Å; L35-M238 HydrophobicContact CG-CB 4.47Å; V39-M238 HydrophobicContact CG2-SD 3.87Å; R234-M238 HydrophobicContact CG-SD 4.17Å; R234-M238 PolarHBondContact NE-SD 2.98Å; R234-M238 PolarHBondContact NH2-SD 2.78Å; R234-M238 VanDerWaalsContact NH2-SD 3.41Å; R234-M238 WeakPolarHBondContact O-CG 3.15Å; R234-M238 PolarHBondContact O-N 2.93Å; V235-M238 PolarHBondContact O-N 3.33Å; Q236-M238 VanDerWaalsContact C-N 3.3Å; Q236-M238 PolarHBondContact O-N 3.47Å; M238-P240 VanDerWaalsContact C-N 3.34Å; M238-E241 WeakPolarHBondContact O-CB 3.44Å; M238-E241 PolarHBondContact O-N 2.79Å; M238-C242 PolarHBondContact O-N 3.48Å
239M95.2Very high92.3Very high0 Ų055.6 Ų55.60%030%0.301CS..G310 helixtrans-48.8-46.5179.1-84.3172.2152.300113.5L32 L35 V235 E241 C242 G243 I244 P246 F267 I291L32-M239 HydrophobicContact CD1-CE 3.44Å; L32-M239 VanDerWaalsContact CD1-CE 3.44Å; L35-M239 HydrophobicContact CD2-CG 3.86Å; V235-M239 HydrophobicContact CG1-CE 4.05Å; V235-M239 HydrophobicContact CG1-CG 4.15Å; V235-M239 HydrophobicContact CG1-SD 4.29Å; V235-M239 WeakPolarHBondContact O-CG 3.38Å; V235-M239 PolarHBondContact O-N 2.81Å; M239-E241 VanDerWaalsContact C-N 3.3Å; M239-E241 PolarHBondContact O-N 2.81Å; M239-C242 CarbonylContact O-C 3.58Å; M239-C242 WeakPolarHBondContact O-CA 3.3Å; M239-C242 PolarHBondContact O-N 2.8Å; M239-G243 PolarHBondContact O-N 2.89Å; M239-I244 CarbonylContact C-O 3.49Å; M239-I244 HydrophobicContact CB-CB 3.95Å; M239-I244 HydrophobicContact CB-CG2 4.02Å; M239-I244 HydrophobicContact CE-CG2 4.28Å; M239-I244 HydrophobicContact CG-CB 4.2Å; M239-I244 HydrophobicContact CG-CG2 3.98Å; M239-I244 PolarHBondContact O-N 2.86Å; M239-I244 HydrophobicContact SD-CG2 4.2Å; M239-P246 HydrophobicContact CB-CB 4.48Å; M239-P246 HydrophobicContact CB-CG 4.06Å; M239-P246 HydrophobicContact SD-CB 3.68Å; M239-P246 HydrophobicContact SD-CG 4.23Å; M239-F267 HydrophobicContact CE-CD1 3.75Å; M239-F267 HydrophobicContact CE-CE1 3.84Å; M239-I291 HydrophobicContact CE-CB 4.16Å; M239-I291 HydrophobicContact CE-CG2 3.65Å
240P94.1Very high91.9Very high79 Ų7955.8 Ų55.851%0.51330%0.302SS..G310 helixtrans-61.7-34.4177.8-24.935.2000114.1Q236 M238 C242 G243 I244 P246Q236-P240 WeakPolarHBondContact O-CD 3.2Å; M238-P240 VanDerWaalsContact C-N 3.34Å; P240-C242 PolarHBondContact O-N 2.97Å; P240-G243 PolarHBondContact O-N 2.86Å; P240-G243 VanDerWaalsContact O-N 3.14Å; P240-I244 VanDerWaalsContact CA-O 3.29Å; P240-I244 WeakPolarHBondContact CA-O 3.48Å; P240-I244 VanDerWaalsContact N-O 3.12Å; P240-P246 HydrophobicContact CG-CG 4.43Å
241E94.9Very high91.4Very high155 Ų15555.9 Ų55.972%0.72430%0.302SS*.G310 helixtrans-66.6-26176.9-58.3-180-175.600111.5M238 M239M238-E241 WeakPolarHBondContact O-CB 3.44Å; M238-E241 PolarHBondContact O-N 2.79Å; M239-E241 VanDerWaalsContact C-N 3.3Å; M239-E241 PolarHBondContact O-N 2.81Å
242C93.2Very high91.1Very high51 Ų5153.8 Ų53.835%0.34529%0.292SS..G310 helixtrans-95.311.1175.7-58.20000113.5T31 M238 M239 P240 I244T31-C242 HydrophobicContact CG2-CB 3.81Å; M238-C242 PolarHBondContact O-N 3.48Å; M239-C242 CarbonylContact O-C 3.58Å; M239-C242 WeakPolarHBondContact O-CA 3.3Å; M239-C242 PolarHBondContact O-N 2.8Å; P240-C242 PolarHBondContact O-N 2.97Å; C242-I244 VanDerWaalsContact C-N 3.31Å; C242-I244 PolarHBondContact O-N 3.49Å
243G93Very high91Very high67 Ų6753.9 Ų53.969%0.69129%0.293SS*.THydrogen-bonded Turntrans75.115.9179.300000115M239 P240M239-G243 PolarHBondContact O-N 2.89Å; P240-G243 PolarHBondContact O-N 2.86Å; P240-G243 VanDerWaalsContact O-N 3.14Å
244I91.7Very high90.9Very high3 Ų351.9 Ų51.92%0.01528%0.282CS..  trans-102.3125174.9-62.3173.7000108.2T31 L32 M239 P240 C242 P246 F267T31-I244 HydrophobicContact CG2-CD1 4.33Å; L32-I244 HydrophobicContact CB-CD1 4.16Å; M239-I244 CarbonylContact C-O 3.49Å; M239-I244 HydrophobicContact CB-CB 3.95Å; M239-I244 HydrophobicContact CB-CG2 4.02Å; M239-I244 HydrophobicContact CE-CG2 4.28Å; M239-I244 HydrophobicContact CG-CB 4.2Å; M239-I244 HydrophobicContact CG-CG2 3.98Å; M239-I244 PolarHBondContact O-N 2.86Å; M239-I244 HydrophobicContact SD-CG2 4.2Å; P240-I244 VanDerWaalsContact CA-O 3.29Å; P240-I244 WeakPolarHBondContact CA-O 3.48Å; P240-I244 VanDerWaalsContact N-O 3.12Å; C242-I244 VanDerWaalsContact C-N 3.31Å; C242-I244 PolarHBondContact O-N 3.49Å; I244-P246 WeakPolarHBondContact O-CD 3.26Å; I244-F267 HydrophobicContact CD1-CE2 4.45Å; I244-F267 HydrophobicContact CD1-CZ 4.47Å; I244-F267 HydrophobicContact CG2-CB 3.79Å; I244-F267 HydrophobicContact CG2-CD1 3.95Å; I244-F267 HydrophobicContact CG2-CD2 3.4Å; I244-F267 VanDerWaalsContact CG2-CD2 3.4Å; I244-F267 HydrophobicContact CG2-CE1 4.35Å; I244-F267 HydrophobicContact CG2-CE2 3.83Å; I244-F267 HydrophobicContact CG2-CG 3.45Å; I244-F267 VanDerWaalsContact CG2-CG 3.45Å; I244-F267 HydrophobicContact CG2-CZ 4.28Å
245E91Very high90.9Very high168 Ų16853.8 Ų53.879%0.78529%0.289SS*.  trans-95.797.3175.7-169.7179.315700109.9F267E245-F267 VanDerWaalsContact O-CB 3.25Å; E245-F267 WeakPolarHBondContact O-CB 3.28Å
246P87Confident90.9Very high23 Ų2355.1 Ų55.115%0.14930%0.295CS..BIsolated β-bridgetrans-69.1148.6178.628.9-33.3000111.1Q236 M239 P240 I244Q236-P246 HydrophobicContact CG-CB 3.89Å; Q236-P246 HydrophobicContact CG-CG 3.89Å; M239-P246 HydrophobicContact CB-CB 4.48Å; M239-P246 HydrophobicContact CB-CG 4.06Å; M239-P246 HydrophobicContact SD-CB 3.68Å; M239-P246 HydrophobicContact SD-CG 4.23Å; P240-P246 HydrophobicContact CG-CG 4.43Å; I244-P246 WeakPolarHBondContact O-CD 3.26Å
247K82.3Confident91Very high54 Ų5461 Ų6124%0.23532%0.322CS..  trans-59.9143.3159.8-71.1-174.6-170.1139.90108.8Q236 L249 T265 S266 S399 N400Q236-K247 PolarHBondContact NE2-O 3.38Å; K247-L249 VanDerWaalsContact C-N 3.31Å; K247-L249 PolarHBondContact O-N 2.91Å; K247-T265 PolarHBondContact O-OG1 2.7Å; K247-S266 WeakPolarHBondContact CB-O 3.48Å; K247-S266 WeakPolarHBondContact CD-OG 3.21Å; K247-S266 WeakPolarHBondContact CE-OG 3.43Å; K247-S266 WeakPolarHBondContact CG-O 3.46Å; K247-S266 PolarHBondContact N-O 2.95Å; K247-S266 PolarHBondContact NZ-OG 3.03Å; K247-S399 PolarHBondContact NZ-O 2.96Å; K247-S399 VanDerWaalsContact NZ-O 3.16Å; K247-S399 PolarHBondContact NZ-OG 2.94Å; K247-N400 PolarHBondContact NZ-OD1 3.06Å
248I75.6Confident91.2Very high126 Ų12659 Ų5965%0.64631%0.307SS*.SBendtrans-65.9-40.6-177.9-43.9-175.7000109.5Q236 I250 N319Q236-I248 PolarHBondContact NE2-O 2.55Å; I248-I250 PolarHBondContact O-N 2.93Å; I248-N319 HydrophobicContact CB-CB 3.94Å; I248-N319 HydrophobicContact CG2-CB 3.25Å; I248-N319 PolarHBondContact O-ND2 2.96Å; I248-N319 PolarHBondContact O-OD1 2.82Å
249L83.6Confident91.3Very high76 Ų7659.4 Ų59.440%0.39831%0.312SS..PPolyproline II helixtrans-72.9120.8-176.5-174.764.5000112.5K247 E251 T265 N319K247-L249 VanDerWaalsContact C-N 3.31Å; K247-L249 PolarHBondContact O-N 2.91Å; L249-E251 HydrophobicContact CD2-CG 4.29Å; L249-E251 HydrophobicContact CG-CG 4.32Å; L249-T265 PolarHBondContact O-OG1 3.32Å; L249-N319 WeakPolarHBondContact CA-OD1 3.36Å
250I88.4Confident91.4Very high4 Ų459.5 Ų59.52%0.02131%0.313CS..PPolyproline II helixtrans-91121.3161.1-64172.6000108I232 D233 Q236 I248 R263 Q264 Q323I232-I250 HydrophobicContact CD1-CG2 4.35Å; I232-I250 HydrophobicContact CG2-CD1 4.31Å; D233-I250 WeakPolarHBondContact OD1-CD1 3.29Å; Q236-I250 VanDerWaalsContact OE1-CD1 3.3Å; I248-I250 PolarHBondContact O-N 2.93Å; I250-R263 HydrophobicContact CG2-CB 3.96Å; I250-Q264 CarbonylContact C-O 3.45Å; I250-Q264 WeakPolarHBondContact CA-O 3.2Å; I250-Q323 PolarHBondContact O-NE2 3.14Å
251E88.2Confident91.6Very high27 Ų2755.7 Ų55.713%0.12629%0.288CS..BIsolated β-bridgetrans-86.4152.2176.4-53.6-172.5-137.200111.1L249 R263 Q264 S392 I396L249-E251 HydrophobicContact CD2-CG 4.29Å; L249-E251 HydrophobicContact CG-CG 4.32Å; E251-R263 CarbonylContact O-C 3.49Å; E251-R263 VanDerWaalsContact O-CA 3.27Å; E251-R263 WeakPolarHBondContact O-CA 3.47Å; E251-Q264 HydrophobicContact CB-CG 4.13Å; E251-Q264 PolarHBondContact N-O 3.26Å; E251-Q264 PolarHBondContact O-N 2.84Å; E251-S392 WeakPolarHBondContact CB-OG 3.43Å; E251-S392 WeakPolarHBondContact OE2-CA 3.19Å; E251-S392 WeakPolarHBondContact OE2-CB 3.44Å; E251-S392 VanDerWaalsContact OE2-O 3.05Å; E251-S392 PolarHBondContact OE2-OG 3.08Å; E251-I396 WeakPolarHBondContact OE1-CG1 3.48Å; E251-I396 PolarHBondContact OE1-N 3.16Å
252G90.8Very high91.7Very high6 Ų648.4 Ų48.46%0.06225%0.254CS..SBendtrans107.9-165-175.800000113.3
253P92.8Very high91.8Very high1 Ų146.4 Ų46.41%0.00624%0.239CC..SBendtrans-66.4167.3172.833.5-37.1000110.8I260 L262 R263 Y306 F330P253-I260 HydrophobicContact CB-CD1 4.12Å; P253-I260 HydrophobicContact CB-CG1 3.84Å; P253-I260 HydrophobicContact CG-CG1 3.71Å; P253-I260 WeakPolarHBondContact CG-O 3.42Å; P253-L262 VanDerWaalsContact CD-O 3.26Å; P253-L262 WeakPolarHBondContact CD-O 3.45Å; P253-R263 HydrophobicContact CG-CG 4.04Å; P253-R263 VanDerWaalsContact O-CD 3.29Å; P253-R263 WeakPolarHBondContact O-CD 3.31Å; P253-R263 WeakPolarHBondContact O-CG 3.39Å; P253-R263 PolarHBondContact O-NE 3Å; P253-R263 VanDerWaalsContact O-NE 3.1Å; P253-Y306 HydrophobicContact CB-CE2 4.12Å; P253-Y306 HydrophobicContact CG-CE2 4.49Å; P253-F330 HydrophobicContact CB-CD1 4.32Å; P253-F330 HydrophobicContact CB-CE1 3.97Å
254P93.5Very high91.8Very high4 Ų443.4 Ų43.43%0.02621%0.207CC..  trans-74.7178.2175.830.4-22.3000109.6R256 L326 Q327 F330P254-R256 WeakPolarHBondContact O-CG 3.28Å; P254-R256 PolarHBondContact O-N 3.45Å; P254-L326 HydrophobicContact CB-CD2 3.6Å; P254-L326 HydrophobicContact CG-CD2 3.42Å; P254-L326 VanDerWaalsContact CG-CD2 3.42Å; P254-L326 VanDerWaalsContact N-CD2 3.28Å; P254-Q327 HydrophobicContact CB-CB 4.36Å; P254-Q327 HydrophobicContact CB-CG 3.56Å; P254-Q327 HydrophobicContact CG-CG 4.31Å; P254-F330 HydrophobicContact CG-CB 3.57Å; P254-F330 HydrophobicContact CG-CD1 4.43Å; P254-F330 HydrophobicContact CG-CD2 4.26Å; P254-F330 HydrophobicContact CG-CG 3.84Å
255R94.9Very high91.7Very high160 Ų16043.3 Ų43.360%0.60421%0.207SC*.  trans-55.7135.6168.4-166.5176.581.9110.53.2110.9D233D233-R255 WeakPolarHBondContact OD2-CD 3.28Å; D233-R255 VanDerWaalsContact OD2-CG 3.29Å; D233-R255 WeakPolarHBondContact OD2-CG 3.37Å
256R96.6Very high91.7Very high29 Ų2935.4 Ų35.411%0.10917%0.17CC..  trans-147.8153.7-172.9-73.8177.866.180.81.3111P254 V258 F330 F333 P334 D335P254-R256 WeakPolarHBondContact O-CG 3.28Å; P254-R256 PolarHBondContact O-N 3.45Å; R256-V258 PolarHBondContact NE-O 3.24Å; R256-F330 PolarHBondContact NH1-O 3.41Å; R256-F333 PolarHBondContact NH1-O 3.35Å; R256-F333 PolarHBondContact NH2-O 3.36Å; R256-P334 VanDerWaalsContact NH2-C 3.29Å; R256-P334 PolarHBondContact NH2-O 3.46Å; R256-D335 WeakPolarHBondContact CB-OD1 3.4Å; R256-D335 IonicContact CZ-OD1 3.89Å; R256-D335 VanDerWaalsContact CZ-OD1 3.27Å; R256-D335 IonicContact NE-OD1 3.15Å; R256-D335 PolarHBondContact NE-OD1 3.05Å; R256-D335 IonicContact NH2-OD1 3.92Å; R256-D335 PolarHBondContact NH2-OD1 2.86Å
257E95.7Very high91.8Very high155 Ų15534.4 Ų34.472%0.72416%0.163SC*.SBendtrans-70.5-35171.7-66.8-61.3146.300111.4P259 D335E257-P259 WeakPolarHBondContact O-CD 3.43Å; E257-D335 PolarHBondContact N-OD1 2.91Å; E257-D335 PolarHBondContact N-OD2 3.29Å
258V96.9Very high91.9Very high18 Ų1836.7 Ų36.711%0.10917%0.173CC..SBendtrans-116.293.2171.3-172.20000108.5R256 D335 E337 M340R256-V258 PolarHBondContact NE-O 3.24Å; V258-D335 PolarHBondContact N-OD1 2.96Å; V258-E337 HydrophobicContact CG1-CG 4.1Å; V258-E337 HydrophobicContact CG2-CG 3.99Å; V258-M340 HydrophobicContact CB-SD 4.02Å; V258-M340 HydrophobicContact CG1-CE 4.11Å; V258-M340 HydrophobicContact CG1-SD 3.69Å
259P97.6Very high92.3Very high41 Ų4131 Ų3127%0.26615%0.145SC..  trans-58.1138.8178.4-25.435.1000111.5E257 G295 V296E257-P259 WeakPolarHBondContact O-CD 3.43Å; P259-G295 CarbonylContact O-C 3.56Å; P259-G295 WeakPolarHBondContact O-CA 3.49Å; P259-V296 WeakPolarHBondContact O-CG1 3.43Å; P259-V296 PolarHBondContact O-N 3.39Å
260I98.1Very high92.5Very high2 Ų229.9 Ų29.91%0.0114%0.139CC..BIsolated β-bridgetrans-118.4149177.761.9-175.5000109.9P253 L262 V296 L298 Y306 F330 F333 M340P253-I260 HydrophobicContact CB-CD1 4.12Å; P253-I260 HydrophobicContact CB-CG1 3.84Å; P253-I260 HydrophobicContact CG-CG1 3.71Å; P253-I260 WeakPolarHBondContact CG-O 3.42Å; I260-L262 PolarHBondContact O-N 2.98Å; I260-L262 VanDerWaalsContact O-N 3.15Å; I260-V296 HydrophobicContact CB-CG1 4.47Å; I260-V296 HydrophobicContact CG2-CG1 3.89Å; I260-L298 HydrophobicContact CB-CD1 4.23Å; I260-L298 HydrophobicContact CB-CD2 3.96Å; I260-L298 HydrophobicContact CB-CG 4.32Å; I260-L298 HydrophobicContact CD1-CD1 4.28Å; I260-L298 HydrophobicContact CG2-CD2 3.87Å; I260-Y306 HydrophobicContact CD1-CD2 4.21Å; I260-F330 HydrophobicContact CD1-CE1 4.32Å; I260-F333 HydrophobicContact CD1-CD1 4.18Å; I260-F333 HydrophobicContact CD1-CD2 3.88Å; I260-F333 HydrophobicContact CD1-CE1 4.05Å; I260-F333 HydrophobicContact CD1-CE2 3.73Å; I260-F333 HydrophobicContact CD1-CG 4.11Å; I260-F333 HydrophobicContact CD1-CZ 3.83Å; I260-F333 HydrophobicContact CG2-CE1 3.98Å; I260-F333 HydrophobicContact CG2-CZ 4.2Å; I260-M340 HydrophobicContact CG2-CE 3.54Å; I260-M340 HydrophobicContact CG2-SD 4.49Å
261L97.5Very high92.3Very high0 Ų035 Ų350%016%0.163CC..SBendtrans52.1-117.5-178.5-54.1178.6000111.3G295 V296 L298 Y306 Y385 L389L261-G295 WeakPolarHBondContact O-CA 3.37Å; L261-G295 PolarHBondContact O-N 3.46Å; L261-V296 PolarHBondContact N-O 3.4Å; L261-L298 HydrophobicContact CD1-CD1 4.09Å; L261-L298 HydrophobicContact CD2-CB 4.1Å; L261-L298 HydrophobicContact CD2-CD1 3.93Å; L261-L298 HydrophobicContact CD2-CG 3.74Å; L261-L298 HydrophobicContact CG-CD1 3.79Å; L261-L298 HydrophobicContact CG-CG 4.04Å; L261-Y306 HydrophobicContact CD1-CD1 3.7Å; L261-Y306 HydrophobicContact CD1-CD2 3.85Å; L261-Y306 HydrophobicContact CD1-CE1 3.73Å; L261-Y306 HydrophobicContact CD1-CE2 3.91Å; L261-Y306 HydrophobicContact CD1-CG 3.78Å; L261-Y385 HydrophobicContact CB-CD1 4.11Å; L261-Y385 HydrophobicContact CB-CE1 4.22Å; L261-Y385 HydrophobicContact CD2-CD1 4.33Å; L261-Y385 HydrophobicContact CD2-CD2 3.98Å; L261-Y385 HydrophobicContact CD2-CE1 4.21Å; L261-Y385 HydrophobicContact CD2-CE2 3.83Å; L261-Y385 HydrophobicContact CD2-CG 4.21Å; L261-Y385 WeakPolarHBondContact O-CB 3.41Å; L261-L389 HydrophobicContact CB-CD2 3.82Å; L261-L389 HydrophobicContact CD1-CD2 3.81Å; L261-L389 HydrophobicContact CG-CD2 4.45Å
262L97.3Very high92.1Very high1 Ų134.3 Ų34.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-146159170.763.886.3000110.4P253 I260 Q264 Q293 R294 Y385 D387 L389P253-L262 VanDerWaalsContact CD-O 3.26Å; P253-L262 WeakPolarHBondContact CD-O 3.45Å; I260-L262 PolarHBondContact O-N 2.98Å; I260-L262 VanDerWaalsContact O-N 3.15Å; L262-Q264 HydrophobicContact CD1-CB 3.94Å; L262-Q264 VanDerWaalsContact CD1-CD 3.48Å; L262-Q264 HydrophobicContact CD1-CG 3.67Å; L262-Q293 CarbonylContact C-O 3.58Å; L262-Q293 WeakPolarHBondContact CA-O 3.36Å; L262-Q293 WeakPolarHBondContact CB-O 3.48Å; L262-R294 HydrophobicContact CB-CG 4.21Å; L262-Y385 HydrophobicContact CD2-CD1 4.11Å; L262-Y385 HydrophobicContact CD2-CE1 4.11Å; L262-Y385 HydrophobicContact CG-CD1 4.45Å; L262-D387 WeakPolarHBondContact CD2-O 3.46Å; L262-L389 HydrophobicContact CD1-CD1 3.65Å; L262-L389 HydrophobicContact CD1-CG 3.77Å; L262-L389 HydrophobicContact CG-CD1 4.24Å; L262-L389 HydrophobicContact CG-CD2 4.4Å; L262-L389 HydrophobicContact CG-CG 3.88Å
263R94.5Very high91.9Very high9 Ų936.7 Ų36.73%0.03417%0.174CC..EExtended strand (participates in β ladder)trans-114.1142165.4-65.1179.570.6-148.40.7108.5I232 D233 I250 E251 P253 E292 Q293I232-R263 HydrophobicContact CD1-CB 4.28Å; I232-R263 WeakPolarHBondContact CD1-O 3.44Å; I232-R263 HydrophobicContact CG2-CB 4.03Å; D233-R263 IonicContact OD1-CZ 3.42Å; D233-R263 IonicContact OD1-NH1 2.75Å; D233-R263 PolarHBondContact OD1-NH1 3Å; D233-R263 VanDerWaalsContact OD1-NH1 3.13Å; D233-R263 IonicContact OD1-NH2 3.18Å; D233-R263 PolarHBondContact OD1-NH2 2.77Å; D233-R263 IonicContact OD2-CZ 3.49Å; D233-R263 IonicContact OD2-NH1 2.81Å; D233-R263 PolarHBondContact OD2-NH1 3.24Å; D233-R263 IonicContact OD2-NH2 2.92Å; I250-R263 HydrophobicContact CG2-CB 3.96Å; E251-R263 CarbonylContact O-C 3.49Å; E251-R263 VanDerWaalsContact O-CA 3.27Å; E251-R263 WeakPolarHBondContact O-CA 3.47Å; P253-R263 HydrophobicContact CG-CG 4.04Å; P253-R263 VanDerWaalsContact O-CD 3.29Å; P253-R263 WeakPolarHBondContact O-CD 3.31Å; P253-R263 WeakPolarHBondContact O-CG 3.39Å; P253-R263 PolarHBondContact O-NE 3Å; P253-R263 VanDerWaalsContact O-NE 3.1Å; R263-E292 CarbonylContact O-C 3.55Å; R263-E292 VanDerWaalsContact O-CA 3.3Å; R263-E292 WeakPolarHBondContact O-CA 3.07Å; R263-Q293 PolarHBondContact N-O 2.93Å; R263-Q293 PolarHBondContact O-N 2.72Å
264Q93.4Very high91.8Very high4 Ų436.7 Ų36.72%0.01917%0.173CC..EExtended strand (participates in β ladder)trans-146.9150.8-177.355.1-17415.200112.7I250 E251 L262 E290 I291 E292 S392 I396I250-Q264 CarbonylContact C-O 3.45Å; I250-Q264 WeakPolarHBondContact CA-O 3.2Å; E251-Q264 HydrophobicContact CB-CG 4.13Å; E251-Q264 PolarHBondContact N-O 3.26Å; E251-Q264 PolarHBondContact O-N 2.84Å; L262-Q264 HydrophobicContact CD1-CB 3.94Å; L262-Q264 VanDerWaalsContact CD1-CD 3.48Å; L262-Q264 HydrophobicContact CD1-CG 3.67Å; Q264-E290 PolarHBondContact OE1-OE1 2.86Å; Q264-I291 VanDerWaalsContact CA-O 3.28Å; Q264-I291 WeakPolarHBondContact CA-O 3.43Å; Q264-E292 HydrophobicContact CB-CB 4.34Å; Q264-S392 PolarHBondContact NE2-OG 3.32Å; Q264-I396 HydrophobicContact CB-CD1 4.29Å; Q264-I396 HydrophobicContact CG-CD1 3.69Å; Q264-I396 VanDerWaalsContact NE2-CD1 3.26Å
265T90.4Very high91.7Very high1 Ų139.5 Ų39.51%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-142.5157.1169.4-174.40000109.4I232 K247 L249 E290 I291I232-T265 HydrophobicContact CD1-CG2 4.3Å; I232-T265 HydrophobicContact CG1-CG2 4.43Å; K247-T265 PolarHBondContact O-OG1 2.7Å; L249-T265 PolarHBondContact O-OG1 3.32Å; T265-E290 WeakPolarHBondContact O-CA 3.44Å; T265-I291 HydrophobicContact CG2-CG2 3.4Å; T265-I291 VanDerWaalsContact CG2-CG2 3.4Å; T265-I291 PolarHBondContact N-O 2.97Å; T265-I291 VanDerWaalsContact N-O 3.15Å; T265-I291 PolarHBondContact O-N 3.32Å
266S90Very high91.5Very high2 Ų232.3 Ų32.31%0.01416%0.161CC..EExtended strand (participates in β ladder)trans-122.9165.7179.550.50000111.3K247 G289K247-S266 WeakPolarHBondContact CB-O 3.48Å; K247-S266 WeakPolarHBondContact CD-OG 3.21Å; K247-S266 WeakPolarHBondContact CE-OG 3.43Å; K247-S266 WeakPolarHBondContact CG-O 3.46Å; K247-S266 PolarHBondContact N-O 2.95Å; K247-S266 PolarHBondContact NZ-OG 3.03Å; S266-G289 CarbonylContact C-O 3.57Å; S266-G289 WeakPolarHBondContact CA-O 3.2Å; S266-G289 VanDerWaalsContact CB-O 3.28Å; S266-G289 WeakPolarHBondContact CB-O 3.42Å
267F89.1Confident90.8Very high2 Ų235.6 Ų35.61%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-146.6156.1178.259.5-85.8000110.2Q28 L32 M239 I244 E245 A269 F288 G289Q28-F267 HydrophobicContact CB-CE2 4.36Å; L32-F267 HydrophobicContact CB-CZ 4.46Å; L32-F267 HydrophobicContact CD2-CE1 3.77Å; L32-F267 HydrophobicContact CD2-CZ 3.91Å; M239-F267 HydrophobicContact CE-CD1 3.75Å; M239-F267 HydrophobicContact CE-CE1 3.84Å; I244-F267 HydrophobicContact CD1-CE2 4.45Å; I244-F267 HydrophobicContact CD1-CZ 4.47Å; I244-F267 HydrophobicContact CG2-CB 3.79Å; I244-F267 HydrophobicContact CG2-CD1 3.95Å; I244-F267 HydrophobicContact CG2-CD2 3.4Å; I244-F267 VanDerWaalsContact CG2-CD2 3.4Å; I244-F267 HydrophobicContact CG2-CE1 4.35Å; I244-F267 HydrophobicContact CG2-CE2 3.83Å; I244-F267 HydrophobicContact CG2-CG 3.45Å; I244-F267 VanDerWaalsContact CG2-CG 3.45Å; I244-F267 HydrophobicContact CG2-CZ 4.28Å; E245-F267 VanDerWaalsContact O-CB 3.25Å; E245-F267 WeakPolarHBondContact O-CB 3.28Å; F267-A269 HydrophobicContact CD2-CB 4.03Å; F267-A269 HydrophobicContact CE2-CB 3.65Å; F267-A269 PolarHBondContact O-N 3.48Å; F267-F288 CarbonylContact O-C 3.58Å; F267-F288 VanDerWaalsContact O-CA 3.24Å; F267-F288 WeakPolarHBondContact O-CA 3.35Å; F267-F288 WeakPolarHBondContact O-CD1 3.43Å; F267-G289 WeakPolarHBondContact CD1-O 3.47Å; F267-G289 PolarHBondContact N-O 3.39Å; F267-G289 PolarHBondContact O-N 3.38Å
268K85.9Confident89.8Confident103 Ų10332.6 Ų32.645%0.44821%0.205SC..EExtended strand (participates in β ladder)trans-74.7114170.2-176.2176.8173.6-176.80107.7E271 A286 F288K268-E271 IonicContact NZ-OE1 2.72Å; K268-E271 PolarHBondContact NZ-OE1 2.93Å; K268-E271 IonicContact NZ-OE2 3.17Å; K268-E271 PolarHBondContact NZ-OE2 3.47Å; K268-A286 HydrophobicContact CD-CB 4.49Å; K268-A286 HydrophobicContact CG-CB 4.38Å; K268-F288 HydrophobicContact CB-CE1 4.37Å
269A83.4Confident88.8Confident7 Ų735.5 Ų35.56%0.05822%0.218CC..EExtended strand (participates in β ladder)trans-92.8-43.9-174.300000112.3V26 Q28 F267 R287V26-A269 HydrophobicContact CG1-CB 3.56Å; Q28-A269 HydrophobicContact CB-CB 4.43Å; Q28-A269 VanDerWaalsContact CD-O 3.24Å; Q28-A269 WeakPolarHBondContact CG-O 3.28Å; Q28-A269 PolarHBondContact OE1-O 2.85Å; F267-A269 HydrophobicContact CD2-CB 4.03Å; F267-A269 HydrophobicContact CE2-CB 3.65Å; F267-A269 PolarHBondContact O-N 3.48Å; A269-R287 PolarHBondContact N-O 3.43Å
270L86.8Confident87.2Confident52 Ų5243.8 Ų43.827%0.27225%0.25SC..EExtended strand (participates in β ladder)trans-152.1148.4-177.7-175.963.4000110.7E25 V26 E272 A286 R287E25-L270 WeakPolarHBondContact O-CD2 2.96Å; V26-L270 HydrophobicContact CG1-CB 4.3Å; L270-E272 HydrophobicContact CD2-CG 3.62Å; L270-E272 HydrophobicContact CG-CG 3.87Å; L270-A286 CarbonylContact O-C 3.35Å; L270-A286 WeakPolarHBondContact O-CA 3.48Å; L270-R287 HydrophobicContact CB-CB 4.48Å; L270-R287 PolarHBondContact N-O 3.41Å; L270-R287 PolarHBondContact O-N 3.42Å
271E85.1Confident85.9Confident110 Ų11051.8 Ų51.851%0.51429%0.287SS..EExtended strand (participates in β ladder)trans-107.4115.6167.8-167.5152.1-140.300108.3K268 H284 T285K268-E271 IonicContact NZ-OE1 2.72Å; K268-E271 PolarHBondContact NZ-OE1 2.93Å; K268-E271 IonicContact NZ-OE2 3.17Å; K268-E271 PolarHBondContact NZ-OE2 3.47Å; E271-H284 HydrophobicContact CG-CB 3.95Å; E271-T285 CarbonylContact C-O 3.25Å
272E84Confident84.7Confident13 Ų1353 Ų536%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-106.4143.4-172.8-71.4-176.816100111.3W190 L270 H284 T285 R287W190-E272 WeakPolarHBondContact CH2-OE2 3.42Å; W190-E272 HydrophobicContact CZ2-CB 4.16Å; W190-E272 WeakPolarHBondContact CZ2-OE2 3.34Å; W190-E272 PolarHBondContact NE1-OE2 2.98Å; L270-E272 HydrophobicContact CD2-CG 3.62Å; L270-E272 HydrophobicContact CG-CG 3.87Å; E272-H284 CarbonylContact O-C 3.6Å; E272-H284 VanDerWaalsContact O-CA 3.28Å; E272-H284 WeakPolarHBondContact O-CA 3.32Å; E272-T285 HydrophobicContact CB-CG2 4.23Å; E272-T285 PolarHBondContact N-O 2.8Å; E272-T285 PolarHBondContact O-N 3.36Å; E272-R287 HydrophobicContact CG-CG 4.37Å; E272-R287 WeakPolarHBondContact OE1-CD 3.45Å; E272-R287 IonicContact OE1-NH1 2.93Å; E272-R287 PolarHBondContact OE1-NH1 2.82Å; E272-R287 WeakPolarHBondContact OE2-CD 3.32Å; E272-R287 WeakPolarHBondContact OE2-CG 3.36Å
273T87.4Confident83.8Confident57 Ų5754.8 Ų54.835%0.3531%0.311SS..EExtended strand (participates in β ladder)trans-83.8129.5174.4-54.10000110L275 T283T273-L275 HydrophobicContact CG2-CD2 3.87Å; T273-T283 WeakPolarHBondContact CA-O 3.38Å
274V89.1Confident82.9Confident0 Ų059.6 Ų59.60%033%0.333CS..EExtended strand (participates in β ladder)trans-102.5119.5172.8-178.60000108.8Q192 A194 Y201 F217 F276 G282 T283 T285Q192-V274 WeakPolarHBondContact O-CA 3.17Å; A194-V274 HydrophobicContact CB-CG1 3.94Å; Y201-V274 HydrophobicContact CD2-CG1 4.49Å; Y201-V274 HydrophobicContact CE2-CG1 4.15Å; F217-V274 HydrophobicContact CE1-CG1 4.16Å; F217-V274 HydrophobicContact CE1-CG2 4.34Å; F217-V274 HydrophobicContact CZ-CG1 4.06Å; F217-V274 HydrophobicContact CZ-CG2 3.92Å; V274-F276 HydrophobicContact CG1-CE1 4.06Å; V274-F276 HydrophobicContact CG1-CZ 3.93Å; V274-G282 CarbonylContact O-C 3.43Å; V274-G282 WeakPolarHBondContact O-CA 3.38Å; V274-T283 HydrophobicContact CB-CG2 3.82Å; V274-T283 HydrophobicContact CG1-CG2 4.39Å; V274-T283 HydrophobicContact CG2-CG2 4.31Å; V274-T283 PolarHBondContact N-O 3.14Å; V274-T283 PolarHBondContact O-N 2.76Å; V274-T283 VanDerWaalsContact O-N 3.11Å; V274-T285 HydrophobicContact CG2-CG2 3.7Å
275L91.4Very high82.1Confident64 Ų6460.3 Ų60.334%0.33534%0.338SS..BIsolated β-bridgetrans-97.4140.8-178-59.2177.3000111.2Q192 A194 T273Q192-L275 PolarHBondContact O-N 3.23Å; A194-L275 PolarHBondContact N-O 3.44Å; T273-L275 HydrophobicContact CG2-CD2 3.87Å
276F90.5Very high81.5Confident8 Ų861.2 Ų61.24%0.03535%0.345CS..  trans-114.3142.2176.5-56.1-71.5000110.6A194 V196 E198 Y201 V274 G278 Q279 T283A194-F276 HydrophobicContact CB-CD1 3.74Å; A194-F276 HydrophobicContact CB-CE1 3.68Å; V196-F276 WeakPolarHBondContact O-CD1 3.4Å; E198-F276 HydrophobicContact CB-CB 4.49Å; E198-F276 HydrophobicContact CB-CD1 4.38Å; E198-F276 HydrophobicContact CB-CD2 3.7Å; E198-F276 HydrophobicContact CB-CE2 3.98Å; E198-F276 HydrophobicContact CB-CG 3.93Å; E198-F276 HydrophobicContact CB-CZ 4.43Å; E198-F276 HydrophobicContact CG-CD2 3.87Å; E198-F276 HydrophobicContact CG-CE2 3.73Å; E198-F276 HydrophobicContact CG-CZ 4.32Å; Y201-F276 VanDerWaalsContact CB-CE1 3.43Å; Y201-F276 HydrophobicContact CD1-CE1 4.36Å; Y201-F276 AromaticContact CD1-CZ 3.81Å; Y201-F276 HydrophobicContact CD1-CZ 3.81Å; Y201-F276 AromaticContact CD2-CE1 3.79Å; Y201-F276 HydrophobicContact CD2-CE1 3.79Å; Y201-F276 AromaticContact CD2-CZ 3.92Å; Y201-F276 HydrophobicContact CD2-CZ 3.92Å; Y201-F276 HydrophobicContact CE1-CZ 4.47Å; Y201-F276 AromaticContact CG-CE1 3.61Å; Y201-F276 HydrophobicContact CG-CE1 3.61Å; Y201-F276 AromaticContact CG-CZ 3.52Å; Y201-F276 HydrophobicContact CG-CZ 3.52Å; V274-F276 HydrophobicContact CG1-CE1 4.06Å; V274-F276 HydrophobicContact CG1-CZ 3.93Å; F276-G278 PolarHBondContact O-N 3.33Å; F276-Q279 HydrophobicContact CB-CB 4.36Å; F276-Q279 HydrophobicContact CB-CG 4.38Å; F276-Q279 PolarHBondContact O-N 2.93Å; F276-Q279 VanDerWaalsContact O-N 3.14Å; F276-T283 HydrophobicContact CE2-CG2 3.84Å; F276-T283 HydrophobicContact CZ-CG2 3.75Å
277A82.8Confident81.1Confident98 Ų9861.5 Ų61.581%0.8135%0.346SS*.THydrogen-bonded Turntrans-57.4125.718000000111.3Q279A277-Q279 VanDerWaalsContact C-N 3.34Å; A277-Q279 PolarHBondContact O-N 3.46Å
278G75.1Confident80.9Confident93 Ų9362.4 Ų62.496%0.95935%0.35SS*.THydrogen-bonded Turntrans83.1-0.9178.500000115.8F276F276-G278 PolarHBondContact O-N 3.33Å
279Q74.8Confident81.1Confident79 Ų7957.7 Ų57.737%0.36933%0.33SS..  trans-111.2143177.8-60.9-171.6-9.200112.1E198 F276 A277E198-Q279 VanDerWaalsContact CB-NE2 3.34Å; E198-Q279 VanDerWaalsContact OE2-CD 3.29Å; E198-Q279 PolarHBondContact OE2-NE2 3.22Å; E198-Q279 PolarHBondContact OE2-OE1 2.89Å; F276-Q279 HydrophobicContact CB-CB 4.36Å; F276-Q279 HydrophobicContact CB-CG 4.38Å; F276-Q279 PolarHBondContact O-N 2.93Å; F276-Q279 VanDerWaalsContact O-N 3.14Å; A277-Q279 VanDerWaalsContact C-N 3.34Å; A277-Q279 PolarHBondContact O-N 3.46Å
280K64.5Low81.6Confident215 Ų21557.5 Ų57.594%0.93533%0.328SS*.SBendtrans-89.8-24.1178.5-70.6-174178.5-178.20113.7
281Q70.9Confident82Confident170 Ų17055 Ų5579%0.79432%0.315SS*.  trans-106.7128176.2-77-174.3-27.400108.8
282G72.8Confident82.6Confident26 Ų2649.8 Ų49.827%0.26829%0.291SS..  trans-92.9178.2172.600000112.2V274V274-G282 CarbonylContact O-C 3.43Å; V274-G282 WeakPolarHBondContact O-CA 3.38Å
283T78.4Confident83.2Confident38 Ų3850.3 Ų50.323%0.23329%0.293CS..EExtended strand (participates in β ladder)trans-98.5176.2163.9-172.20000110.1Y201 T273 V274 F276Y201-T283 HydrophobicContact CD1-CG2 4.05Å; Y201-T283 HydrophobicContact CE1-CG2 3.56Å; T273-T283 WeakPolarHBondContact CA-O 3.38Å; V274-T283 HydrophobicContact CB-CG2 3.82Å; V274-T283 HydrophobicContact CG1-CG2 4.39Å; V274-T283 HydrophobicContact CG2-CG2 4.31Å; V274-T283 PolarHBondContact N-O 3.14Å; V274-T283 PolarHBondContact O-N 2.76Å; V274-T283 VanDerWaalsContact O-N 3.11Å; F276-T283 HydrophobicContact CE2-CG2 3.84Å; F276-T283 HydrophobicContact CZ-CG2 3.75Å
284H74.1Confident83.7Confident109 Ų10948 Ų4851%0.50528%0.278SS..EExtended strand (participates in β ladder)trans-111.7140.4174.8-62.6-68.7000111.4E271 E272E271-H284 HydrophobicContact CG-CB 3.95Å; E272-H284 CarbonylContact O-C 3.6Å; E272-H284 VanDerWaalsContact O-CA 3.28Å; E272-H284 WeakPolarHBondContact O-CA 3.32Å
285T77.2Confident84.1Confident20 Ų2048.5 Ų48.512%0.12328%0.283CS..EExtended strand (participates in β ladder)trans-124.6153.6165.9-170.10000109.2W190 E271 E272 V274W190-T285 HydrophobicContact CH2-CG2 3.75Å; W190-T285 HydrophobicContact CZ2-CG2 4.19Å; E271-T285 CarbonylContact C-O 3.25Å; E272-T285 HydrophobicContact CB-CG2 4.23Å; E272-T285 PolarHBondContact N-O 2.8Å; E272-T285 PolarHBondContact O-N 3.36Å; V274-T285 HydrophobicContact CG2-CG2 3.7Å
286A77.2Confident84.4Confident19 Ų1945.6 Ų45.616%0.15727%0.268CS..EExtended strand (participates in β ladder)trans-103.813117900000109.8K268 L270 F288K268-A286 HydrophobicContact CD-CB 4.49Å; K268-A286 HydrophobicContact CG-CB 4.38Å; L270-A286 CarbonylContact O-C 3.35Å; L270-A286 WeakPolarHBondContact O-CA 3.48Å; A286-F288 HydrophobicContact CB-CD2 4.46Å; A286-F288 HydrophobicContact CB-CE2 3.64Å; A286-F288 HydrophobicContact CB-CZ 3.86Å; A286-F288 WeakPolarHBondContact O-CE2 3.43Å
287R83.4Confident84.8Confident9 Ų945.2 Ų45.23%0.03427%0.266CS..EExtended strand (participates in β ladder)trans-90.4138.7162.5-67.8-169.979.6173.313.5109.2E25 I222 A269 L270 E272E25-R287 IonicContact OE2-CZ 3.28Å; E25-R287 IonicContact OE2-NH1 3Å; E25-R287 PolarHBondContact OE2-NH1 3.41Å; E25-R287 IonicContact OE2-NH2 2.85Å; E25-R287 PolarHBondContact OE2-NH2 2.91Å; E25-R287 VanDerWaalsContact OE2-NH2 3.14Å; I222-R287 PolarHBondContact O-NH2 3.48Å; A269-R287 PolarHBondContact N-O 3.43Å; L270-R287 HydrophobicContact CB-CB 4.48Å; L270-R287 PolarHBondContact N-O 3.41Å; L270-R287 PolarHBondContact O-N 3.42Å; E272-R287 HydrophobicContact CG-CG 4.37Å; E272-R287 WeakPolarHBondContact OE1-CD 3.45Å; E272-R287 IonicContact OE1-NH1 2.93Å; E272-R287 PolarHBondContact OE1-NH1 2.82Å; E272-R287 WeakPolarHBondContact OE2-CD 3.32Å; E272-R287 WeakPolarHBondContact OE2-CG 3.36Å
288F84.3Confident85.6Confident21 Ų2140.7 Ų40.79%0.09223%0.228CC..EExtended strand (participates in β ladder)trans-109.7142.2-179.9-65.7-94.5000108.6Y22 H224 F267 K268 A286 N400Y22-F288 PolarHBondContact OH-O 3.35Å; H224-F288 WeakPolarHBondContact CB-O 3.29Å; F267-F288 CarbonylContact O-C 3.58Å; F267-F288 VanDerWaalsContact O-CA 3.24Å; F267-F288 WeakPolarHBondContact O-CA 3.35Å; F267-F288 WeakPolarHBondContact O-CD1 3.43Å; K268-F288 HydrophobicContact CB-CE1 4.37Å; A286-F288 HydrophobicContact CB-CD2 4.46Å; A286-F288 HydrophobicContact CB-CE2 3.64Å; A286-F288 HydrophobicContact CB-CZ 3.86Å; A286-F288 WeakPolarHBondContact O-CE2 3.43Å; F288-N400 HydrophobicContact CB-CB 4.17Å; F288-N400 WeakPolarHBondContact CB-OD1 3.49Å; F288-N400 HydrophobicContact CD1-CB 4.4Å; F288-N400 HydrophobicContact CD2-CB 3.67Å; F288-N400 VanDerWaalsContact CD2-O 3.26Å; F288-N400 WeakPolarHBondContact CD2-O 3.43Å; F288-N400 VanDerWaalsContact CE2-C 3.43Å; F288-N400 HydrophobicContact CE2-CB 4.19Å; F288-N400 WeakPolarHBondContact CE2-O 3.43Å; F288-N400 HydrophobicContact CG-CB 3.8Å; F288-N400 WeakPolarHBondContact CG-OD1 3.26Å; F288-N400 WeakPolarHBondContact CZ-O 3.45Å
289G89.7Confident86.7Confident3 Ų336.9 Ų36.93%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-100.3162.1165.900000109.5S266 F267S266-G289 CarbonylContact C-O 3.57Å; S266-G289 WeakPolarHBondContact CA-O 3.2Å; S266-G289 VanDerWaalsContact CB-O 3.28Å; S266-G289 WeakPolarHBondContact CB-O 3.42Å; F267-G289 WeakPolarHBondContact CD1-O 3.47Å; F267-G289 PolarHBondContact N-O 3.39Å; F267-G289 PolarHBondContact O-N 3.38Å
290E93.6Very high87.8Confident4 Ų436.6 Ų36.62%0.01919%0.191CC..EExtended strand (participates in β ladder)trans-143.6152.5-178.5-178.4173.9156.400109.6L32 H68 H224 T226 P227 Q264 T265 I396L32-E290 WeakPolarHBondContact CD2-O 3.31Å; H68-E290 IonicContact CE1-OE1 3.81Å; H68-E290 IonicContact NE2-OE1 3.53Å; H224-E290 HydrophobicContact CB-CB 4.4Å; H224-E290 IonicContact CD2-OE2 3.06Å; H224-E290 PolarHBondContact CD2-OE2 2.81Å; H224-E290 IonicContact CE1-OE2 2.7Å; H224-E290 PolarHBondContact CE1-OE2 3.3Å; H224-E290 VanDerWaalsContact CE1-OE2 3.3Å; H224-E290 IonicContact CG-OE2 3.77Å; H224-E290 IonicContact ND1-OE2 2.94Å; H224-E290 IonicContact NE2-OE2 3.24Å; H224-E290 PolarHBondContact NE2-OE2 3.02Å; T226-E290 HydrophobicContact CG2-CB 4.2Å; T226-E290 HydrophobicContact CG2-CG 3.86Å; T226-E290 WeakPolarHBondContact OG1-CB 3.5Å; P227-E290 WeakPolarHBondContact CD-O 3.48Å; Q264-E290 PolarHBondContact OE1-OE1 2.86Å; T265-E290 WeakPolarHBondContact O-CA 3.44Å; E290-I396 VanDerWaalsContact CD-CD1 3.46Å; E290-I396 HydrophobicContact CG-CD1 4.3Å; E290-I396 VanDerWaalsContact OE1-CD1 3.29Å; E290-I396 WeakPolarHBondContact OE1-CD1 3.32Å; E290-I396 WeakPolarHBondContact OE2-CG2 3.4Å
291I95.5Very high89.4Confident0 Ų032.1 Ų32.10%017%0.172CC..EExtended strand (participates in β ladder)trans-135141.6174.6-17969.1000109.2L32 V36 P227 T229 I232 V235 M239 Q264 T265L32-I291 HydrophobicContact CD1-CB 4.46Å; L32-I291 HydrophobicContact CD1-CD1 4.37Å; V36-I291 HydrophobicContact CG2-CD1 3.37Å; V36-I291 HydrophobicContact CG2-CG1 4.48Å; P227-I291 HydrophobicContact CG-CD1 3.76Å; P227-I291 WeakPolarHBondContact O-CD1 3.29Å; T229-I291 HydrophobicContact CG2-CD1 4Å; T229-I291 HydrophobicContact CG2-CG1 3.81Å; I232-I291 HydrophobicContact CD1-CG2 4.36Å; I232-I291 HydrophobicContact CG1-CG2 4.35Å; V235-I291 HydrophobicContact CG1-CG1 4.12Å; M239-I291 HydrophobicContact CE-CB 4.16Å; M239-I291 HydrophobicContact CE-CG2 3.65Å; Q264-I291 VanDerWaalsContact CA-O 3.28Å; Q264-I291 WeakPolarHBondContact CA-O 3.43Å; T265-I291 HydrophobicContact CG2-CG2 3.4Å; T265-I291 VanDerWaalsContact CG2-CG2 3.4Å; T265-I291 PolarHBondContact N-O 2.97Å; T265-I291 VanDerWaalsContact N-O 3.15Å; T265-I291 PolarHBondContact O-N 3.32Å
292E97Very high90.7Very high0 Ų024 Ų240%013%0.134CC..EExtended strand (participates in β ladder)trans-131.9150178.575.3-176.2170.500113.7H68 T226 P227 R228 T229 R263 Q264 R294H68-E292 IonicContact CE1-OE1 3.93Å; H68-E292 IonicContact CE1-OE2 3.54Å; H68-E292 PolarHBondContact CE1-OE2 3.38Å; H68-E292 IonicContact CG-OE1 3.16Å; H68-E292 IonicContact ND1-OE1 3.29Å; H68-E292 PolarHBondContact ND1-OE1 3.34Å; H68-E292 IonicContact ND1-OE2 3.3Å; H68-E292 PolarHBondContact ND1-OE2 2.91Å; T226-E292 HydrophobicContact CG2-CB 3.87Å; T226-E292 HydrophobicContact CG2-CG 3.79Å; P227-E292 PolarHBondContact O-N 3Å; R228-E292 WeakPolarHBondContact CA-O 3.18Å; T229-E292 PolarHBondContact N-O 2.99Å; R263-E292 CarbonylContact O-C 3.55Å; R263-E292 VanDerWaalsContact O-CA 3.3Å; R263-E292 WeakPolarHBondContact O-CA 3.07Å; Q264-E292 HydrophobicContact CB-CB 4.34Å; E292-R294 HydrophobicContact CG-CG 4.32Å; E292-R294 IonicContact OE1-CZ 2.98Å; E292-R294 IonicContact OE1-NE 2.73Å; E292-R294 PolarHBondContact OE1-NE 3.29Å; E292-R294 IonicContact OE1-NH2 2.71Å; E292-R294 PolarHBondContact OE1-NH2 3.04Å; E292-R294 VanDerWaalsContact OE1-NH2 3.16Å; E292-R294 IonicContact OE2-CZ 2.95Å; E292-R294 VanDerWaalsContact OE2-CZ 3.3Å; E292-R294 IonicContact OE2-NE 2.79Å; E292-R294 PolarHBondContact OE2-NE 3.06Å; E292-R294 IonicContact OE2-NH2 3.76Å; E292-R294 PolarHBondContact OE2-NH2 3.19Å
293Q97.8Very high91.8Very high23 Ų2323.8 Ų23.811%0.10713%0.125CC..EExtended strand (participates in β ladder)trans-118.9114.7165.7174.5-176.7-23.700108.8T229 L230 I232 L262 R263T229-Q293 HydrophobicContact CG2-CB 4.27Å; T229-Q293 WeakPolarHBondContact O-CA 3.48Å; L230-Q293 VanDerWaalsContact O-CD 3.29Å; L230-Q293 PolarHBondContact O-NE2 3.49Å; L230-Q293 PolarHBondContact O-OE1 3.09Å; I232-Q293 HydrophobicContact CB-CB 3.96Å; I232-Q293 HydrophobicContact CG2-CB 4.26Å; L262-Q293 CarbonylContact C-O 3.58Å; L262-Q293 WeakPolarHBondContact CA-O 3.36Å; L262-Q293 WeakPolarHBondContact CB-O 3.48Å; R263-Q293 PolarHBondContact N-O 2.93Å; R263-Q293 PolarHBondContact O-N 2.72Å
294R97.7Very high92.6Very high10 Ų1027.9 Ų27.94%0.03814%0.142CC..EExtended strand (participates in β ladder)trans-92.4125.5-179.9-66.2178.6171.8-81.6-12.6111.7E66 R228 L262 E292 T384 Y385 E386 D387E66-R294 WeakPolarHBondContact OE1-CD 3.37Å; R228-R294 PolarHBondContact NH2-O 2.84Å; L262-R294 HydrophobicContact CB-CG 4.21Å; E292-R294 HydrophobicContact CG-CG 4.32Å; E292-R294 IonicContact OE1-CZ 2.98Å; E292-R294 IonicContact OE1-NE 2.73Å; E292-R294 PolarHBondContact OE1-NE 3.29Å; E292-R294 IonicContact OE1-NH2 2.71Å; E292-R294 PolarHBondContact OE1-NH2 3.04Å; E292-R294 VanDerWaalsContact OE1-NH2 3.16Å; E292-R294 IonicContact OE2-CZ 2.95Å; E292-R294 VanDerWaalsContact OE2-CZ 3.3Å; E292-R294 IonicContact OE2-NE 2.79Å; E292-R294 PolarHBondContact OE2-NE 3.06Å; E292-R294 IonicContact OE2-NH2 3.76Å; E292-R294 PolarHBondContact OE2-NH2 3.19Å; R294-T384 HydrophobicContact CB-CG2 4.1Å; R294-Y385 WeakPolarHBondContact CD-O 3.43Å; R294-Y385 PolarHBondContact NH1-O 2.78Å; R294-E386 VanDerWaalsContact NH1-C 3.26Å; R294-D387 PolarHBondContact NH1-O 3.11Å; R294-D387 PolarHBondContact NH2-O 3.45Å
295G97.4Very high93.7Very high9 Ų924.9 Ų24.99%0.09313%0.129CC..  trans-103.6-153.9173.500000112.8P259 L261 T384 Y385P259-G295 CarbonylContact O-C 3.56Å; P259-G295 WeakPolarHBondContact O-CA 3.49Å; L261-G295 WeakPolarHBondContact O-CA 3.37Å; L261-G295 PolarHBondContact O-N 3.46Å; G295-T384 CarbonylContact O-C 3.57Å; G295-T384 WeakPolarHBondContact O-CA 3.19Å; G295-Y385 PolarHBondContact O-N 3.49Å
296V98.3Very high94.6Very high4 Ų424.2 Ų24.22%0.02412%0.124CC..BIsolated β-bridgetrans-80.7142.7-177.569.70000113.1P259 I260 L261 L298 M340 A346 W347 P382 I383P259-V296 WeakPolarHBondContact O-CG1 3.43Å; P259-V296 PolarHBondContact O-N 3.39Å; I260-V296 HydrophobicContact CB-CG1 4.47Å; I260-V296 HydrophobicContact CG2-CG1 3.89Å; L261-V296 PolarHBondContact N-O 3.4Å; V296-L298 HydrophobicContact CG1-CD2 4.35Å; V296-M340 HydrophobicContact CG1-CE 3.44Å; V296-M340 VanDerWaalsContact CG1-CE 3.44Å; V296-A346 HydrophobicContact CG1-CB 3.83Å; V296-A346 HydrophobicContact CG2-CB 3.86Å; V296-W347 WeakPolarHBondContact CG2-O 3.4Å; V296-P382 HydrophobicContact CB-CB 3.64Å; V296-P382 HydrophobicContact CG2-CB 3.32Å; V296-I383 CarbonylContact C-O 3.54Å; V296-I383 WeakPolarHBondContact CA-O 3.42Å; V296-I383 WeakPolarHBondContact CG2-O 3.25Å
297A98.5Very high95.3Very high0 Ų025.8 Ų25.80%013%0.13CC..PPolyproline II helixtrans-67.2134.4170.500000111.3A346 W347 I383 Y385 Y433A297-A346 WeakPolarHBondContact O-CA 3.42Å; A297-W347 PolarHBondContact O-N 3.44Å; A297-I383 PolarHBondContact N-O 3.07Å; A297-Y385 HydrophobicContact CB-CD2 4.09Å; A297-Y433 HydrophobicContact CB-CD1 3.64Å; A297-Y433 HydrophobicContact CB-CD2 3.9Å; A297-Y433 HydrophobicContact CB-CE1 3.53Å; A297-Y433 HydrophobicContact CB-CE2 3.83Å; A297-Y433 HydrophobicContact CB-CG 3.84Å
298L98.6Very high95.7Very high2 Ų227.8 Ų27.81%0.0114%0.141CC..BIsolated β-bridgetrans-95.9150-178.2-61.9-173.3000111.9I260 L261 V296 R303 F333 M340 L345 A346 W347 F430I260-L298 HydrophobicContact CB-CD1 4.23Å; I260-L298 HydrophobicContact CB-CD2 3.96Å; I260-L298 HydrophobicContact CB-CG 4.32Å; I260-L298 HydrophobicContact CD1-CD1 4.28Å; I260-L298 HydrophobicContact CG2-CD2 3.87Å; L261-L298 HydrophobicContact CD1-CD1 4.09Å; L261-L298 HydrophobicContact CD2-CB 4.1Å; L261-L298 HydrophobicContact CD2-CD1 3.93Å; L261-L298 HydrophobicContact CD2-CG 3.74Å; L261-L298 HydrophobicContact CG-CD1 3.79Å; L261-L298 HydrophobicContact CG-CG 4.04Å; V296-L298 HydrophobicContact CG1-CD2 4.35Å; L298-R303 HydrophobicContact CB-CG 3.77Å; L298-F333 HydrophobicContact CD1-CE2 4.06Å; L298-F333 HydrophobicContact CD1-CZ 4.02Å; L298-F333 HydrophobicContact CD2-CZ 3.82Å; L298-M340 HydrophobicContact CD2-CE 4.4Å; L298-L345 WeakPolarHBondContact CA-O 3.5Å; L298-L345 WeakPolarHBondContact CD2-O 3.39Å; L298-A346 HydrophobicContact CD2-CB 3.98Å; L298-W347 PolarHBondContact O-NE1 3.28Å; L298-F430 WeakPolarHBondContact O-CE1 3.39Å
299T98.6Very high96.1Very high13 Ų1327.2 Ų27.28%0.0814%0.139CC..PPolyproline II helixtrans-72.1168167.267.20000110K301 G302 R303 G344 L345 W347T299-K301 PolarHBondContact O-N 2.89Å; T299-K301 PolarHBondContact OG1-N 3.41Å; T299-G302 PolarHBondContact O-N 3.49Å; T299-G302 PolarHBondContact OG1-N 3.1Å; T299-R303 WeakPolarHBondContact O-CG 3.24Å; T299-R303 PolarHBondContact O-N 3.17Å; T299-G344 WeakPolarHBondContact CB-O 3.35Å; T299-G344 WeakPolarHBondContact CG2-O 3.47Å; T299-G344 PolarHBondContact OG1-O 3.34Å; T299-L345 PolarHBondContact N-O 3.46Å; T299-L345 PolarHBondContact OG1-O 3.34Å; T299-W347 HydrophobicContact CG2-CD2 3.95Å; T299-W347 HydrophobicContact CG2-CE3 4.34Å; T299-W347 HydrophobicContact CG2-CG 4.38Å; T299-W347 HydrophobicContact CG2-CH2 4.41Å; T299-W347 HydrophobicContact CG2-CZ2 4.03Å
300P97.7Very high96.1Very high73 Ų7329 Ų2947%0.47415%0.148SC..Hα-helixtrans-52.4-38.5171.1-29.536.7000113.1R303 Q304 F430P300-R303 PolarHBondContact O-N 3.48Å; P300-Q304 WeakPolarHBondContact O-CB 3.38Å; P300-Q304 PolarHBondContact O-N 3.18Å; P300-F430 HydrophobicContact CG-CB 4.35Å; P300-F430 HydrophobicContact CG-CD1 3.95Å; P300-F430 HydrophobicContact CG-CD2 4.39Å; P300-F430 HydrophobicContact CG-CE1 4.34Å; P300-F430 HydrophobicContact CG-CG 3.98Å
301K98.4Very high95.8Very high121 Ų12136.4 Ų36.453%0.52618%0.176SC..Hα-helixtrans-65.2-45.1175.2-176.6-175.4175.4-172.40112.2T299 Q304 L305 Q343 L345T299-K301 PolarHBondContact O-N 2.89Å; T299-K301 PolarHBondContact OG1-N 3.41Å; K301-Q304 PolarHBondContact O-N 3.4Å; K301-L305 PolarHBondContact O-N 2.86Å; K301-L305 VanDerWaalsContact O-N 3.1Å; K301-Q343 PolarHBondContact NZ-O 3.24Å; K301-L345 HydrophobicContact CD-CD2 4.03Å; K301-L345 HydrophobicContact CG-CD2 3.95Å
302G98.2Very high95.5Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-64.7-39.4176.400000112.6T299 L305 Y306 L345T299-G302 PolarHBondContact O-N 3.49Å; T299-G302 PolarHBondContact OG1-N 3.1Å; G302-L305 PolarHBondContact O-N 3.4Å; G302-Y306 WeakPolarHBondContact O-CB 3.09Å; G302-Y306 PolarHBondContact O-N 2.86Å; G302-L345 WeakPolarHBondContact CA-O 3.48Å
303R96.6Very high95Very high21 Ų2142 Ų428%0.07921%0.207CC..Hα-helixtrans-63.7-45.2174.7-75.1-61.2-52.6-78.4-12.4112.4L298 T299 P300 L305 Y306 D307 P390 F430L298-R303 HydrophobicContact CB-CG 3.77Å; T299-R303 WeakPolarHBondContact O-CG 3.24Å; T299-R303 PolarHBondContact O-N 3.17Å; P300-R303 PolarHBondContact O-N 3.48Å; R303-L305 VanDerWaalsContact C-N 3.33Å; R303-L305 PolarHBondContact O-N 3.48Å; R303-Y306 WeakPolarHBondContact O-CB 3.48Å; R303-Y306 PolarHBondContact O-N 3.2Å; R303-D307 IonicContact NH2-OD1 3Å; R303-D307 IonicContact NH2-OD2 3.3Å; R303-D307 WeakPolarHBondContact O-CB 3.49Å; R303-D307 VanDerWaalsContact O-CG 3.29Å; R303-D307 PolarHBondContact O-N 2.98Å; R303-P390 VanDerWaalsContact NH2-CG 3.32Å; R303-F430 HydrophobicContact CB-CE1 4.37Å; R303-F430 HydrophobicContact CB-CZ 4.23Å; R303-F430 HydrophobicContact CG-CE1 3.56Å; R303-F430 HydrophobicContact CG-CZ 3.67Å
304Q94.7Very high94.2Very high125 Ų12542.7 Ų42.758%0.58422%0.22SC*.Hα-helixtrans-58.2-45.9175.4-175.9178.1-4.400111.5P300 K301 Y306 D307 D308P300-Q304 WeakPolarHBondContact O-CB 3.38Å; P300-Q304 PolarHBondContact O-N 3.18Å; K301-Q304 PolarHBondContact O-N 3.4Å; Q304-Y306 PolarHBondContact O-N 3.23Å; Q304-D307 PolarHBondContact O-N 2.89Å; Q304-D308 WeakPolarHBondContact O-CB 3.28Å; Q304-D308 VanDerWaalsContact O-CG 3.3Å; Q304-D308 PolarHBondContact O-N 3.13Å
305L97.1Very high93Very high45 Ų4548.5 Ų48.524%0.23626%0.257CS..Hα-helixtrans-60.9-44.7175.4179.960.6000111.7K301 G302 R303 D308 L309 F333 L345K301-L305 PolarHBondContact O-N 2.86Å; K301-L305 VanDerWaalsContact O-N 3.1Å; G302-L305 PolarHBondContact O-N 3.4Å; R303-L305 VanDerWaalsContact C-N 3.33Å; R303-L305 PolarHBondContact O-N 3.48Å; L305-D308 PolarHBondContact O-N 3.12Å; L305-L309 HydrophobicContact CD1-CD1 3.96Å; L305-L309 HydrophobicContact CD1-CG 4.05Å; L305-L309 HydrophobicContact CG-CD1 3.97Å; L305-L309 HydrophobicContact CG-CG 4.44Å; L305-L309 WeakPolarHBondContact O-CB 3.22Å; L305-L309 WeakPolarHBondContact O-CG 3.44Å; L305-L309 PolarHBondContact O-N 3.18Å; L305-F333 HydrophobicContact CB-CD2 4.47Å; L305-F333 HydrophobicContact CB-CE2 4.43Å; L305-F333 HydrophobicContact CD2-CD2 3.75Å; L305-F333 HydrophobicContact CD2-CE2 4.12Å; L305-F333 HydrophobicContact CD2-CG 4.17Å; L305-F333 HydrophobicContact CG-CD2 3.88Å; L305-F333 HydrophobicContact CG-CE2 4.3Å; L305-L345 HydrophobicContact CD2-CD1 4.28Å; L305-L345 HydrophobicContact CD2-CD2 4.46Å
306Y95.6Very high91.5Very high7 Ų750 Ų503%0.02727%0.272CS..Hα-helixtrans-57.6-49.3175.2166.1-90.2000111.8P253 I260 L261 G302 R303 Q304 D308 L309 L310 F330P253-Y306 HydrophobicContact CB-CE2 4.12Å; P253-Y306 HydrophobicContact CG-CE2 4.49Å; I260-Y306 HydrophobicContact CD1-CD2 4.21Å; L261-Y306 HydrophobicContact CD1-CD1 3.7Å; L261-Y306 HydrophobicContact CD1-CD2 3.85Å; L261-Y306 HydrophobicContact CD1-CE1 3.73Å; L261-Y306 HydrophobicContact CD1-CE2 3.91Å; L261-Y306 HydrophobicContact CD1-CG 3.78Å; G302-Y306 WeakPolarHBondContact O-CB 3.09Å; G302-Y306 PolarHBondContact O-N 2.86Å; R303-Y306 WeakPolarHBondContact O-CB 3.48Å; R303-Y306 PolarHBondContact O-N 3.2Å; Q304-Y306 PolarHBondContact O-N 3.23Å; Y306-D308 PolarHBondContact O-N 3.47Å; Y306-L309 PolarHBondContact O-N 3.18Å; Y306-L310 HydrophobicContact CE1-CD2 4.15Å; Y306-L310 WeakPolarHBondContact O-CB 3.42Å; Y306-L310 PolarHBondContact O-N 2.87Å; Y306-F330 AromaticContact CD2-CE1 3.69Å; Y306-F330 HydrophobicContact CD2-CE1 3.69Å; Y306-F330 AromaticContact CD2-CZ 3.8Å; Y306-F330 HydrophobicContact CD2-CZ 3.8Å; Y306-F330 HydrophobicContact CE2-CE1 4.14Å; Y306-F330 AromaticContact CE2-CZ 3.95Å; Y306-F330 HydrophobicContact CE2-CZ 3.95Å
307D92Very high90Very high51 Ų5159.8 Ų59.827%0.27332%0.318SS..Hα-helixtrans-65.6-38.4-177.2-68.5-31.2000111.5R303 Q304 R311R303-D307 IonicContact NH2-OD1 3Å; R303-D307 IonicContact NH2-OD2 3.3Å; R303-D307 WeakPolarHBondContact O-CB 3.49Å; R303-D307 VanDerWaalsContact O-CG 3.29Å; R303-D307 PolarHBondContact O-N 2.98Å; Q304-D307 PolarHBondContact O-N 2.89Å; D307-R311 WeakPolarHBondContact O-CB 3.45Å; D307-R311 PolarHBondContact O-N 3.2Å
308D92.4Very high88.8Confident51 Ų5163.3 Ų63.327%0.27334%0.336SS..Hα-helixtrans-67.9-42176.4-72.5-24.1000111.9Q304 L305 Y306 R311 N312Q304-D308 WeakPolarHBondContact O-CB 3.28Å; Q304-D308 VanDerWaalsContact O-CG 3.3Å; Q304-D308 PolarHBondContact O-N 3.13Å; L305-D308 PolarHBondContact O-N 3.12Å; Y306-D308 PolarHBondContact O-N 3.47Å; D308-R311 PolarHBondContact O-N 2.97Å; D308-R311 IonicContact OD1-CZ 3.94Å; D308-R311 IonicContact OD1-NH1 2.75Å; D308-R311 PolarHBondContact OD1-NH1 2.83Å; D308-R311 IonicContact OD1-NH2 3.43Å; D308-R311 PolarHBondContact OD1-NH2 3.15Å; D308-N312 WeakPolarHBondContact O-CB 3.46Å; D308-N312 PolarHBondContact O-N 3.39Å; D308-N312 PolarHBondContact O-ND2 3.43Å
309L93.8Very high87.5Confident9 Ų964.5 Ų64.55%0.04734%0.343CS..Hα-helixtrans-67.1-41176.2-67.5175.2000112L305 Y306 R311 N312 A313 T329 F330 T332 F333L305-L309 HydrophobicContact CD1-CD1 3.96Å; L305-L309 HydrophobicContact CD1-CG 4.05Å; L305-L309 HydrophobicContact CG-CD1 3.97Å; L305-L309 HydrophobicContact CG-CG 4.44Å; L305-L309 WeakPolarHBondContact O-CB 3.22Å; L305-L309 WeakPolarHBondContact O-CG 3.44Å; L305-L309 PolarHBondContact O-N 3.18Å; Y306-L309 PolarHBondContact O-N 3.18Å; L309-R311 VanDerWaalsContact C-N 3.33Å; L309-R311 PolarHBondContact O-N 3.29Å; L309-N312 PolarHBondContact O-N 2.93Å; L309-A313 PolarHBondContact O-N 3.43Å; L309-T329 HydrophobicContact CB-CG2 4.21Å; L309-T329 HydrophobicContact CD2-CG2 3.99Å; L309-T329 WeakPolarHBondContact O-CG2 3.15Å; L309-F330 HydrophobicContact CB-CD2 4.16Å; L309-F330 HydrophobicContact CB-CE1 4.37Å; L309-F330 HydrophobicContact CB-CE2 3.86Å; L309-F330 HydrophobicContact CB-CZ 3.98Å; L309-F330 HydrophobicContact CD1-CD1 4.27Å; L309-F330 HydrophobicContact CD1-CE1 4.47Å; L309-F330 HydrophobicContact CD1-CG 4.47Å; L309-T332 HydrophobicContact CD2-CG2 4.15Å; L309-F333 HydrophobicContact CD1-CB 3.8Å; L309-F333 HydrophobicContact CD1-CD2 4.23Å
310L89.6Confident86.4Confident41 Ų4170 Ų7022%0.21537%0.371CS..Hα-helixtrans-64-40.2175.6-168.869.5000111.3Y306 A313 G314 L326 F330Y306-L310 HydrophobicContact CE1-CD2 4.15Å; Y306-L310 WeakPolarHBondContact O-CB 3.42Å; Y306-L310 PolarHBondContact O-N 2.87Å; L310-A313 PolarHBondContact O-N 2.91Å; L310-G314 PolarHBondContact O-N 3.49Å; L310-L326 HydrophobicContact CD1-CD1 4.2Å; L310-F330 HydrophobicContact CB-CZ 4.47Å
311R87.1Confident85.5Confident159 Ų15970.4 Ų70.460%0.637%0.372SS*.Hα-helixtrans-62.8-42.1174.3-168.2-172-55.3124.29.1111.7D307 D308 L309 G314D307-R311 WeakPolarHBondContact O-CB 3.45Å; D307-R311 PolarHBondContact O-N 3.2Å; D308-R311 PolarHBondContact O-N 2.97Å; D308-R311 IonicContact OD1-CZ 3.94Å; D308-R311 IonicContact OD1-NH1 2.75Å; D308-R311 PolarHBondContact OD1-NH1 2.83Å; D308-R311 IonicContact OD1-NH2 3.43Å; D308-R311 PolarHBondContact OD1-NH2 3.15Å; L309-R311 VanDerWaalsContact C-N 3.33Å; L309-R311 PolarHBondContact O-N 3.29Å; R311-G314 PolarHBondContact O-N 3.33Å
312N88.9Confident84.6Confident111 Ų11165.9 Ų65.959%0.59435%0.353SS*.Hα-helixtrans-67.1-35.8179.6-71.1-19.5000112.8D308 L309 G314 T329D308-N312 WeakPolarHBondContact O-CB 3.46Å; D308-N312 PolarHBondContact O-N 3.39Å; D308-N312 PolarHBondContact O-ND2 3.43Å; L309-N312 PolarHBondContact O-N 2.93Å; N312-G314 PolarHBondContact O-N 2.92Å; N312-T329 HydrophobicContact CB-CG2 4.13Å
313A86.2Confident83.8Confident8 Ų866.6 Ų66.67%0.06636%0.356CS..Hα-helixtrans-67.8-20175.800000112.8L309 L310 H325 L326 T329L309-A313 PolarHBondContact O-N 3.43Å; L310-A313 PolarHBondContact O-N 2.91Å; A313-H325 PolarHBondContact O-CD2 3.47Å; A313-L326 HydrophobicContact CB-CG 4.38Å; A313-T329 HydrophobicContact CB-CG2 4.33Å
314G80.4Confident83.3Confident37 Ų3771.3 Ų71.338%0.38138%0.38SS..  trans61.9-158.1-179.100000113.1L310 R311 N312 H322L310-G314 PolarHBondContact O-N 3.49Å; R311-G314 PolarHBondContact O-N 3.33Å; N312-G314 PolarHBondContact O-N 2.92Å; G314-H322 PolarHBondContact O-CE1 3.04Å; G314-H322 VanDerWaalsContact O-CE1 3.31Å
315T72.8Confident83Confident132 Ų13269.6 Ų69.681%0.8137%0.373SS*.  trans-112.5126.1176.951.10000109.2
316G67Low82.6Confident40 Ų4067.6 Ų67.641%0.41236%0.362SS..  trans-91.7153.9171.800000112.2H322G316-H322 PolarHBondContact N-ND1 3.41Å
317Q65.4Low82.5Confident210 Ų21071.5 Ų71.598%0.98138%0.381SS*.SBendtrans-82-30.1174.8-69-177.3-12.900112.3
318D73.1Confident82.6Confident73 Ų7373.7 Ų73.739%0.3939%0.389SS..SBendtrans-119.1142.5175.671.8102.4000110.7L320 T321 H322D318-L320 VanDerWaalsContact C-N 3.34Å; D318-L320 PolarHBondContact O-N 2.81Å; D318-T321 VanDerWaalsContact CG-OG1 3.24Å; D318-T321 WeakPolarHBondContact OD1-CB 3.3Å; D318-T321 PolarHBondContact OD1-N 3.41Å; D318-T321 PolarHBondContact OD1-OG1 3.36Å; D318-T321 WeakPolarHBondContact OD2-CB 3.43Å; D318-T321 PolarHBondContact OD2-OG1 3.38Å; D318-T321 VanDerWaalsContact OD2-OG1 3.08Å; D318-H322 WeakPolarHBondContact O-CB 3.25Å; D318-H322 PolarHBondContact O-N 3.3Å
319N71.1Confident82.7Confident28 Ų2872.3 Ų72.315%0.1538%0.382CS..Hα-helixtrans-65-37.6-175.6-177.854.9000112.6I248 L249 H322 Q323I248-N319 HydrophobicContact CB-CB 3.94Å; I248-N319 HydrophobicContact CG2-CB 3.25Å; I248-N319 PolarHBondContact O-ND2 2.96Å; I248-N319 PolarHBondContact O-OD1 2.82Å; L249-N319 WeakPolarHBondContact CA-OD1 3.36Å; N319-H322 PolarHBondContact O-N 2.95Å; N319-Q323 WeakPolarHBondContact O-CB 3.42Å; N319-Q323 WeakPolarHBondContact O-CG 3.43Å; N319-Q323 PolarHBondContact O-N 2.98Å; N319-Q323 VanDerWaalsContact OD1-CG 3.29Å; N319-Q323 WeakPolarHBondContact OD1-CG 3.44Å; N319-Q323 PolarHBondContact OD1-NE2 3.48Å
320L75.2Confident82.8Confident127 Ų12772 Ų7267%0.66538%0.381SS*.Hα-helixtrans-65-50.9-173.8-174.368.1000110.6D318 H322 Q323 M324D318-L320 VanDerWaalsContact C-N 3.34Å; D318-L320 PolarHBondContact O-N 2.81Å; L320-H322 VanDerWaalsContact C-N 3.33Å; L320-H322 PolarHBondContact O-N 2.81Å; L320-Q323 PolarHBondContact O-N 2.68Å; L320-M324 WeakPolarHBondContact O-CG 3.3Å; L320-M324 PolarHBondContact O-N 3.18Å
321T80.4Confident83.1Confident83 Ų8378.7 Ų78.751%0.50940%0.403SS..Hα-helixtrans-65.1-39.7176.9-520000110.8D318 M324 H325D318-T321 VanDerWaalsContact CG-OG1 3.24Å; D318-T321 WeakPolarHBondContact OD1-CB 3.3Å; D318-T321 PolarHBondContact OD1-N 3.41Å; D318-T321 PolarHBondContact OD1-OG1 3.36Å; D318-T321 WeakPolarHBondContact OD2-CB 3.43Å; D318-T321 PolarHBondContact OD2-OG1 3.38Å; D318-T321 VanDerWaalsContact OD2-OG1 3.08Å; T321-M324 PolarHBondContact O-N 2.75Å; T321-H325 WeakPolarHBondContact O-CB 3.22Å; T321-H325 PolarHBondContact O-N 3Å
322H79.8Confident83.5Confident25 Ų2575.6 Ų75.612%0.11640%0.402CS..Hα-helixtrans-60.1-50.3175.8-174.253.8000111.8G314 G316 D318 N319 L320 M324 H325 L326G314-H322 PolarHBondContact O-CE1 3.04Å; G314-H322 VanDerWaalsContact O-CE1 3.31Å; G316-H322 PolarHBondContact N-ND1 3.41Å; D318-H322 WeakPolarHBondContact O-CB 3.25Å; D318-H322 PolarHBondContact O-N 3.3Å; N319-H322 PolarHBondContact O-N 2.95Å; L320-H322 VanDerWaalsContact C-N 3.33Å; L320-H322 PolarHBondContact O-N 2.81Å; H322-M324 PolarHBondContact O-N 2.79Å; H322-H325 PolarHBondContact O-N 3.37Å; H322-L326 WeakPolarHBondContact O-CB 3.39Å; H322-L326 PolarHBondContact O-N 2.83Å
323Q79.9Confident84Confident15 Ų1570.4 Ų70.47%0.0737%0.374CS..Hα-helixtrans-64.5-38.3179.3-69.7-65.1-38.100112I250 N319 L320 L326 Q327I250-Q323 PolarHBondContact O-NE2 3.14Å; N319-Q323 WeakPolarHBondContact O-CB 3.42Å; N319-Q323 WeakPolarHBondContact O-CG 3.43Å; N319-Q323 PolarHBondContact O-N 2.98Å; N319-Q323 VanDerWaalsContact OD1-CG 3.29Å; N319-Q323 WeakPolarHBondContact OD1-CG 3.44Å; N319-Q323 PolarHBondContact OD1-NE2 3.48Å; L320-Q323 PolarHBondContact O-N 2.68Å; Q323-L326 PolarHBondContact O-N 3.31Å; Q323-Q327 WeakPolarHBondContact O-CB 3.46Å; Q323-Q327 WeakPolarHBondContact O-CG 3.49Å; Q323-Q327 PolarHBondContact O-N 3.28Å
324M85.7Confident84.5Confident120 Ų12070.9 Ų70.959%0.59138%0.376SS*.Hα-helixtrans-62.5-43.9174.3-74.2-178.57000111.8L320 T321 H322 Q327 E328L320-M324 WeakPolarHBondContact O-CG 3.3Å; L320-M324 PolarHBondContact O-N 3.18Å; T321-M324 PolarHBondContact O-N 2.75Å; H322-M324 PolarHBondContact O-N 2.79Å; M324-Q327 PolarHBondContact O-N 3.23Å; M324-E328 PolarHBondContact O-N 2.88Å
325H89Confident85.4Confident90 Ų9072 Ų7242%0.41737%0.373SS..Hα-helixtrans-69.6-37.3178.2-172.657.4000112.4A313 T321 H322 E328 T329A313-H325 PolarHBondContact O-CD2 3.47Å; T321-H325 WeakPolarHBondContact O-CB 3.22Å; T321-H325 PolarHBondContact O-N 3Å; H322-H325 PolarHBondContact O-N 3.37Å; H325-E328 PolarHBondContact O-N 3.39Å; H325-T329 WeakPolarHBondContact O-CB 3.32Å; H325-T329 PolarHBondContact O-N 2.96Å; H325-T329 PolarHBondContact O-OG1 3.27Å
326L89.9Confident86.5Confident2 Ų267.4 Ų67.41%0.0135%0.347CS..Hα-helixtrans-65.1-43.6175.3-154159.8000109.9P254 L310 A313 H322 Q323 E328 T329 F330P254-L326 HydrophobicContact CB-CD2 3.6Å; P254-L326 HydrophobicContact CG-CD2 3.42Å; P254-L326 VanDerWaalsContact CG-CD2 3.42Å; P254-L326 VanDerWaalsContact N-CD2 3.28Å; L310-L326 HydrophobicContact CD1-CD1 4.2Å; A313-L326 HydrophobicContact CB-CG 4.38Å; H322-L326 WeakPolarHBondContact O-CB 3.39Å; H322-L326 PolarHBondContact O-N 2.83Å; Q323-L326 PolarHBondContact O-N 3.31Å; L326-E328 PolarHBondContact O-N 2.84Å; L326-T329 PolarHBondContact O-N 3.24Å; L326-F330 HydrophobicContact CD2-CD2 3.45Å; L326-F330 VanDerWaalsContact CD2-CD2 3.45Å; L326-F330 HydrophobicContact CD2-CE2 3.55Å; L326-F330 HydrophobicContact CD2-CG 4.19Å; L326-F330 HydrophobicContact CD2-CZ 4.39Å; L326-F330 HydrophobicContact CG-CD2 4.12Å; L326-F330 HydrophobicContact CG-CE2 4.09Å; L326-F330 WeakPolarHBondContact O-CB 3.17Å; L326-F330 VanDerWaalsContact O-CD2 3.28Å; L326-F330 WeakPolarHBondContact O-CD2 3.3Å; L326-F330 PolarHBondContact O-N 3.08Å
327Q92Very high87.8Confident90 Ų9067.9 Ų67.942%0.42134%0.338SS..Hα-helixtrans-57.3-47172.1-78.11721400112.6P254 Q323 M324 F330 R331P254-Q327 HydrophobicContact CB-CB 4.36Å; P254-Q327 HydrophobicContact CB-CG 3.56Å; P254-Q327 HydrophobicContact CG-CG 4.31Å; Q323-Q327 WeakPolarHBondContact O-CB 3.46Å; Q323-Q327 WeakPolarHBondContact O-CG 3.49Å; Q323-Q327 PolarHBondContact O-N 3.28Å; M324-Q327 PolarHBondContact O-N 3.23Å; Q327-F330 PolarHBondContact O-N 2.83Å; Q327-R331 PolarHBondContact O-N 3.38Å
328E93.8Very high89.2Confident96 Ų9661.9 Ų61.945%0.44931%0.31SS..Hα-helixtrans-61.1-49.4177.9-174.363.6-132.400111.3M324 H325 L326 F330 R331M324-E328 PolarHBondContact O-N 2.88Å; H325-E328 PolarHBondContact O-N 3.39Å; L326-E328 PolarHBondContact O-N 2.84Å; E328-F330 VanDerWaalsContact C-N 3.32Å; E328-F330 PolarHBondContact O-N 2.85Å; E328-R331 WeakPolarHBondContact O-CB 3.39Å; E328-R331 WeakPolarHBondContact O-CG 3.32Å; E328-R331 PolarHBondContact O-N 3.47Å; E328-R331 IonicContact OE1-CZ 2.93Å; E328-R331 IonicContact OE1-NE 3.4Å; E328-R331 IonicContact OE1-NH1 3.98Å; E328-R331 PolarHBondContact OE1-NH1 2.73Å; E328-R331 IonicContact OE2-CZ 3.16Å; E328-R331 IonicContact OE2-NE 3.98Å; E328-R331 IonicContact OE2-NH1 3.86Å; E328-R331 PolarHBondContact OE2-NH1 2.83Å; E328-R331 IonicContact OE2-NH2 2.78Å; E328-R331 PolarHBondContact OE2-NH2 2.71Å
329T94.7Very high90.3Very high22 Ų2261.4 Ų61.414%0.13531%0.306CS..Hα-helixtrans-61-42.8-178.5-56.10000111.3L309 N312 A313 H325 L326 R331 T332L309-T329 HydrophobicContact CB-CG2 4.21Å; L309-T329 HydrophobicContact CD2-CG2 3.99Å; L309-T329 WeakPolarHBondContact O-CG2 3.15Å; N312-T329 HydrophobicContact CB-CG2 4.13Å; A313-T329 HydrophobicContact CB-CG2 4.33Å; H325-T329 WeakPolarHBondContact O-CB 3.32Å; H325-T329 PolarHBondContact O-N 2.96Å; H325-T329 PolarHBondContact O-OG1 3.27Å; L326-T329 PolarHBondContact O-N 3.24Å; T329-R331 VanDerWaalsContact C-N 3.27Å; T329-R331 PolarHBondContact O-N 2.86Å; T329-T332 PolarHBondContact O-N 3.13Å; T329-T332 PolarHBondContact O-OG1 3.26Å
330F96.3Very high91.5Very high3 Ų360 Ų601%0.01330%0.299CS..Hα-helixtrans-76.6-3-178.7-86.9-103.6000115.2P253 P254 R256 I260 Y306 L309 L310 L326 Q327 E328 T332 F333P253-F330 HydrophobicContact CB-CD1 4.32Å; P253-F330 HydrophobicContact CB-CE1 3.97Å; P254-F330 HydrophobicContact CG-CB 3.57Å; P254-F330 HydrophobicContact CG-CD1 4.43Å; P254-F330 HydrophobicContact CG-CD2 4.26Å; P254-F330 HydrophobicContact CG-CG 3.84Å; R256-F330 PolarHBondContact NH1-O 3.41Å; I260-F330 HydrophobicContact CD1-CE1 4.32Å; Y306-F330 AromaticContact CD2-CE1 3.69Å; Y306-F330 HydrophobicContact CD2-CE1 3.69Å; Y306-F330 AromaticContact CD2-CZ 3.8Å; Y306-F330 HydrophobicContact CD2-CZ 3.8Å; Y306-F330 HydrophobicContact CE2-CE1 4.14Å; Y306-F330 AromaticContact CE2-CZ 3.95Å; Y306-F330 HydrophobicContact CE2-CZ 3.95Å; L309-F330 HydrophobicContact CB-CD2 4.16Å; L309-F330 HydrophobicContact CB-CE1 4.37Å; L309-F330 HydrophobicContact CB-CE2 3.86Å; L309-F330 HydrophobicContact CB-CZ 3.98Å; L309-F330 HydrophobicContact CD1-CD1 4.27Å; L309-F330 HydrophobicContact CD1-CE1 4.47Å; L309-F330 HydrophobicContact CD1-CG 4.47Å; L310-F330 HydrophobicContact CB-CZ 4.47Å; L326-F330 HydrophobicContact CD2-CD2 3.45Å; L326-F330 VanDerWaalsContact CD2-CD2 3.45Å; L326-F330 HydrophobicContact CD2-CE2 3.55Å; L326-F330 HydrophobicContact CD2-CG 4.19Å; L326-F330 HydrophobicContact CD2-CZ 4.39Å; L326-F330 HydrophobicContact CG-CD2 4.12Å; L326-F330 HydrophobicContact CG-CE2 4.09Å; L326-F330 WeakPolarHBondContact O-CB 3.17Å; L326-F330 VanDerWaalsContact O-CD2 3.28Å; L326-F330 WeakPolarHBondContact O-CD2 3.3Å; L326-F330 PolarHBondContact O-N 3.08Å; Q327-F330 PolarHBondContact O-N 2.83Å; E328-F330 VanDerWaalsContact C-N 3.32Å; E328-F330 PolarHBondContact O-N 2.85Å; F330-T332 PolarHBondContact O-N 3.5Å; F330-T332 VanDerWaalsContact O-N 3.12Å; F330-F333 HydrophobicContact CD1-CB 4.29Å; F330-F333 PolarHBondContact O-N 3.2Å
331R96.2Very high92.5Very high182 Ų18255.7 Ų55.769%0.68727%0.274SS*.THydrogen-bonded Turntrans-56.2-25.3165.9-70.4-175.8178.8153.98.9112.3Q327 E328 T329 F333Q327-R331 PolarHBondContact O-N 3.38Å; E328-R331 WeakPolarHBondContact O-CB 3.39Å; E328-R331 WeakPolarHBondContact O-CG 3.32Å; E328-R331 PolarHBondContact O-N 3.47Å; E328-R331 IonicContact OE1-CZ 2.93Å; E328-R331 IonicContact OE1-NE 3.4Å; E328-R331 IonicContact OE1-NH1 3.98Å; E328-R331 PolarHBondContact OE1-NH1 2.73Å; E328-R331 IonicContact OE2-CZ 3.16Å; E328-R331 IonicContact OE2-NE 3.98Å; E328-R331 IonicContact OE2-NH1 3.86Å; E328-R331 PolarHBondContact OE2-NH1 2.83Å; E328-R331 IonicContact OE2-NH2 2.78Å; E328-R331 PolarHBondContact OE2-NH2 2.71Å; T329-R331 VanDerWaalsContact C-N 3.27Å; T329-R331 PolarHBondContact O-N 2.86Å; R331-F333 VanDerWaalsContact C-N 3.27Å; R331-F333 PolarHBondContact O-N 2.98Å
332T96.7Very high93.2Very high94 Ų9458 Ų5858%0.57728%0.279SS*.THydrogen-bonded Turntrans-66.3-26.9174.7-47.20000112.7L309 T329 F330 P334L309-T332 HydrophobicContact CD2-CG2 4.15Å; T329-T332 PolarHBondContact O-N 3.13Å; T329-T332 PolarHBondContact O-OG1 3.26Å; F330-T332 PolarHBondContact O-N 3.5Å; F330-T332 VanDerWaalsContact O-N 3.12Å; T332-P334 WeakPolarHBondContact O-CD 3.37Å
333F98.2Very high94Very high2 Ų260.5 Ų60.51%0.00929%0.291CS..SBendtrans-84.9116.4178.3-161.6-61.7000109.8R256 I260 L298 L305 L309 F330 R331 D335 M340 L345R256-F333 PolarHBondContact NH1-O 3.35Å; R256-F333 PolarHBondContact NH2-O 3.36Å; I260-F333 HydrophobicContact CD1-CD1 4.18Å; I260-F333 HydrophobicContact CD1-CD2 3.88Å; I260-F333 HydrophobicContact CD1-CE1 4.05Å; I260-F333 HydrophobicContact CD1-CE2 3.73Å; I260-F333 HydrophobicContact CD1-CG 4.11Å; I260-F333 HydrophobicContact CD1-CZ 3.83Å; I260-F333 HydrophobicContact CG2-CE1 3.98Å; I260-F333 HydrophobicContact CG2-CZ 4.2Å; L298-F333 HydrophobicContact CD1-CE2 4.06Å; L298-F333 HydrophobicContact CD1-CZ 4.02Å; L298-F333 HydrophobicContact CD2-CZ 3.82Å; L305-F333 HydrophobicContact CB-CD2 4.47Å; L305-F333 HydrophobicContact CB-CE2 4.43Å; L305-F333 HydrophobicContact CD2-CD2 3.75Å; L305-F333 HydrophobicContact CD2-CE2 4.12Å; L305-F333 HydrophobicContact CD2-CG 4.17Å; L305-F333 HydrophobicContact CG-CD2 3.88Å; L305-F333 HydrophobicContact CG-CE2 4.3Å; L309-F333 HydrophobicContact CD1-CB 3.8Å; L309-F333 HydrophobicContact CD1-CD2 4.23Å; F330-F333 HydrophobicContact CD1-CB 4.29Å; F330-F333 PolarHBondContact O-N 3.2Å; R331-F333 VanDerWaalsContact C-N 3.27Å; R331-F333 PolarHBondContact O-N 2.98Å; F333-D335 PolarHBondContact O-N 3.43Å; F333-M340 HydrophobicContact CE1-CE 4.06Å; F333-M340 HydrophobicContact CE1-CG 4.21Å; F333-M340 HydrophobicContact CE1-SD 4.27Å; F333-L345 HydrophobicContact CE1-CD1 4.31Å; F333-L345 HydrophobicContact CZ-CB 4.34Å
334P97.9Very high94.8Very high17 Ų1761.3 Ų61.311%0.1130%0.303CS..  trans-53.7124.8-176-25.533.2000112.9R256 T332 L339 M340 L345R256-P334 VanDerWaalsContact NH2-C 3.29Å; R256-P334 PolarHBondContact NH2-O 3.46Å; T332-P334 WeakPolarHBondContact O-CD 3.37Å; P334-L339 HydrophobicContact CB-CB 3.67Å; P334-L339 HydrophobicContact CB-CD1 4.23Å; P334-M340 HydrophobicContact CB-CG 4.35Å; P334-M340 VanDerWaalsContact O-CG 3.26Å; P334-M340 WeakPolarHBondContact O-CG 3.38Å; P334-M340 VanDerWaalsContact O-SD 3.36Å; P334-L345 HydrophobicContact CG-CD1 3.72Å
335D97.6Very high95.4Very high60 Ų6055.7 Ų55.732%0.32128%0.276SS..  trans-102.442.7-176.1-153.319.4000113.1R256 E257 V258 F333R256-D335 WeakPolarHBondContact CB-OD1 3.4Å; R256-D335 IonicContact CZ-OD1 3.89Å; R256-D335 VanDerWaalsContact CZ-OD1 3.27Å; R256-D335 IonicContact NE-OD1 3.15Å; R256-D335 PolarHBondContact NE-OD1 3.05Å; R256-D335 IonicContact NH2-OD1 3.92Å; R256-D335 PolarHBondContact NH2-OD1 2.86Å; E257-D335 PolarHBondContact N-OD1 2.91Å; E257-D335 PolarHBondContact N-OD2 3.29Å; V258-D335 PolarHBondContact N-OD1 2.96Å; F333-D335 PolarHBondContact O-N 3.43Å
336S96.5Very high95.8Very high37 Ų3751.6 Ų51.626%0.25926%0.257SS..SBendtrans-141.6138.2172.978.30000111.1F338 L339 M340S336-F338 PolarHBondContact O-N 3.39Å; S336-L339 PolarHBondContact O-N 2.95Å; S336-L339 VanDerWaalsContact OG-CB 3.32Å; S336-L339 WeakPolarHBondContact OG-CB 3.31Å; S336-L339 WeakPolarHBondContact OG-CD1 3.28Å; S336-L339 WeakPolarHBondContact OG-CG 3.36Å; S336-L339 PolarHBondContact OG-N 3.46Å; S336-L339 VanDerWaalsContact OG-N 3.15Å; S336-M340 WeakPolarHBondContact O-CB 3.46Å; S336-M340 VanDerWaalsContact O-CG 3.3Å; S336-M340 WeakPolarHBondContact O-CG 3.31Å; S336-M340 PolarHBondContact O-N 3.2Å
337E94.7Very high96.3Very high49 Ų4952.8 Ų52.823%0.22926%0.262CS..Hα-helixtrans-55.3-36.8178.4-67.4172.617900111K53 V258 R341 F348K53-E337 IonicContact NZ-OE1 3.91Å; K53-E337 PolarHBondContact NZ-OE1 2.71Å; K53-E337 IonicContact NZ-OE2 3.58Å; K53-E337 PolarHBondContact NZ-OE2 2.92Å; V258-E337 HydrophobicContact CG1-CG 4.1Å; V258-E337 HydrophobicContact CG2-CG 3.99Å; E337-R341 VanDerWaalsContact O-CB 3.31Å; E337-R341 WeakPolarHBondContact O-CB 3.46Å; E337-R341 PolarHBondContact O-N 3.4Å; E337-R341 PolarHBondContact O-NH1 2.83Å; E337-F348 HydrophobicContact CB-CE1 4.05Å; E337-F348 HydrophobicContact CB-CZ 4.47Å; E337-F348 HydrophobicContact CG-CE1 4.46Å; E337-F348 VanDerWaalsContact O-CZ 3.31Å; E337-F348 WeakPolarHBondContact O-CZ 3.45Å
338F94Very high96.5Very high85 Ų8548.6 Ų48.637%0.37324%0.242SC..Hα-helixtrans-62.2-54.5176.5168.5-105.3000112.6S336 M340 R341 Q342 Q370S336-F338 PolarHBondContact O-N 3.39Å; F338-M340 VanDerWaalsContact C-N 3.34Å; F338-M340 PolarHBondContact O-N 3.2Å; F338-R341 PolarHBondContact O-N 2.79Å; F338-Q342 WeakPolarHBondContact O-CB 3.46Å; F338-Q342 PolarHBondContact O-N 3.36Å; F338-Q370 VanDerWaalsContact CE2-CD 3.46Å; F338-Q370 HydrophobicContact CE2-CG 4.14Å
339L96.1Very high96.6Very high62 Ų6246.1 Ų46.133%0.32523%0.229SC..Hα-helixtrans-67.2-37.9-177.6-69172.3000111.2P334 S336 R341 Q342 Q343P334-L339 HydrophobicContact CB-CB 3.67Å; P334-L339 HydrophobicContact CB-CD1 4.23Å; S336-L339 PolarHBondContact O-N 2.95Å; S336-L339 VanDerWaalsContact OG-CB 3.32Å; S336-L339 WeakPolarHBondContact OG-CB 3.31Å; S336-L339 WeakPolarHBondContact OG-CD1 3.28Å; S336-L339 WeakPolarHBondContact OG-CG 3.36Å; S336-L339 PolarHBondContact OG-N 3.46Å; S336-L339 VanDerWaalsContact OG-N 3.15Å; L339-R341 VanDerWaalsContact C-N 3.35Å; L339-R341 PolarHBondContact O-N 3.39Å; L339-Q342 PolarHBondContact O-N 2.93Å; L339-Q343 VanDerWaalsContact O-CB 3.28Å; L339-Q343 WeakPolarHBondContact O-CB 3.36Å; L339-Q343 VanDerWaalsContact O-CG 3.28Å; L339-Q343 WeakPolarHBondContact O-CG 3.22Å; L339-Q343 PolarHBondContact O-N 3.31Å
340M97.7Very high96.7Very high0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-63.1-40.6177-69.7170.761.800112V258 I260 V296 L298 F333 P334 S336 F338 G344 L345 A346 F348V258-M340 HydrophobicContact CB-SD 4.02Å; V258-M340 HydrophobicContact CG1-CE 4.11Å; V258-M340 HydrophobicContact CG1-SD 3.69Å; I260-M340 HydrophobicContact CG2-CE 3.54Å; I260-M340 HydrophobicContact CG2-SD 4.49Å; V296-M340 HydrophobicContact CG1-CE 3.44Å; V296-M340 VanDerWaalsContact CG1-CE 3.44Å; L298-M340 HydrophobicContact CD2-CE 4.4Å; F333-M340 HydrophobicContact CE1-CE 4.06Å; F333-M340 HydrophobicContact CE1-CG 4.21Å; F333-M340 HydrophobicContact CE1-SD 4.27Å; P334-M340 HydrophobicContact CB-CG 4.35Å; P334-M340 VanDerWaalsContact O-CG 3.26Å; P334-M340 WeakPolarHBondContact O-CG 3.38Å; P334-M340 VanDerWaalsContact O-SD 3.36Å; S336-M340 WeakPolarHBondContact O-CB 3.46Å; S336-M340 VanDerWaalsContact O-CG 3.3Å; S336-M340 WeakPolarHBondContact O-CG 3.31Å; S336-M340 PolarHBondContact O-N 3.2Å; F338-M340 VanDerWaalsContact C-N 3.34Å; F338-M340 PolarHBondContact O-N 3.2Å; M340-G344 PolarHBondContact O-N 3.06Å; M340-L345 HydrophobicContact CB-CB 4.49Å; M340-L345 PolarHBondContact O-N 2.85Å; M340-A346 HydrophobicContact CB-CB 4.35Å; M340-A346 HydrophobicContact CE-CB 3.56Å; M340-F348 HydrophobicContact CB-CE2 4.47Å; M340-F348 HydrophobicContact CB-CZ 4.2Å
341R95.8Very high96.7Very high36 Ų3648.9 Ų48.914%0.13624%0.236CC..Hα-helixtrans-66.7-51.4173.8-177.7175.559.3-101.25.5111.5E337 F338 L339 Q343 G344 F348 Y350E337-R341 VanDerWaalsContact O-CB 3.31Å; E337-R341 WeakPolarHBondContact O-CB 3.46Å; E337-R341 PolarHBondContact O-N 3.4Å; E337-R341 PolarHBondContact O-NH1 2.83Å; F338-R341 PolarHBondContact O-N 2.79Å; L339-R341 VanDerWaalsContact C-N 3.35Å; L339-R341 PolarHBondContact O-N 3.39Å; R341-Q343 PolarHBondContact O-N 2.85Å; R341-G344 PolarHBondContact O-N 3.48Å; R341-F348 HydrophobicContact CB-CD2 3.91Å; R341-F348 HydrophobicContact CB-CE2 3.57Å; R341-F348 HydrophobicContact CB-CZ 3.91Å; R341-F348 HydrophobicContact CG-CD2 4.1Å; R341-F348 HydrophobicContact CG-CE2 4.28Å; R341-Y350 WeakPolarHBondContact CD-OH 3.39Å; R341-Y350 WeakPolarHBondContact CG-OH 3.36Å
342Q94.1Very high96.7Very high131 Ų13141.4 Ų41.461%0.61221%0.21SC*.Hα-helixtrans-58.6-38-177.9-172.5-175.324.800112.1F338 L339 G344F338-Q342 WeakPolarHBondContact O-CB 3.46Å; F338-Q342 PolarHBondContact O-N 3.36Å; L339-Q342 PolarHBondContact O-N 2.93Å; Q342-G344 VanDerWaalsContact C-N 3.34Å
343Q96.5Very high96.6Very high78 Ų7838.5 Ų38.536%0.36419%0.192SC..THydrogen-bonded Turntrans-88.1-0.6-179.3-64179.529.100113.5K301 L339 R341 L345K301-Q343 PolarHBondContact NZ-O 3.24Å; L339-Q343 VanDerWaalsContact O-CB 3.28Å; L339-Q343 WeakPolarHBondContact O-CB 3.36Å; L339-Q343 VanDerWaalsContact O-CG 3.28Å; L339-Q343 WeakPolarHBondContact O-CG 3.22Å; L339-Q343 PolarHBondContact O-N 3.31Å; R341-Q343 PolarHBondContact O-N 2.85Å; Q343-L345 HydrophobicContact CB-CD1 4.07Å; Q343-L345 HydrophobicContact CB-CD2 4.44Å; Q343-L345 HydrophobicContact CB-CG 3.82Å
344G97.2Very high96.4Very high32 Ų3244.2 Ų44.233%0.3323%0.23SC..THydrogen-bonded Turntrans61.742.3-178.900000112.9T299 M340 R341 Q342T299-G344 WeakPolarHBondContact CB-O 3.35Å; T299-G344 WeakPolarHBondContact CG2-O 3.47Å; T299-G344 PolarHBondContact OG1-O 3.34Å; M340-G344 PolarHBondContact O-N 3.06Å; R341-G344 PolarHBondContact O-N 3.48Å; Q342-G344 VanDerWaalsContact C-N 3.34Å
345L98.4Very high96.2Very high2 Ų246.1 Ų46.11%0.0124%0.243CC..  trans-95.2-26.6-178.1-59.4-179.8000113L298 T299 K301 G302 L305 F333 P334 M340 Q343L298-L345 WeakPolarHBondContact CA-O 3.5Å; L298-L345 WeakPolarHBondContact CD2-O 3.39Å; T299-L345 PolarHBondContact N-O 3.46Å; T299-L345 PolarHBondContact OG1-O 3.34Å; K301-L345 HydrophobicContact CD-CD2 4.03Å; K301-L345 HydrophobicContact CG-CD2 3.95Å; G302-L345 WeakPolarHBondContact CA-O 3.48Å; L305-L345 HydrophobicContact CD2-CD1 4.28Å; L305-L345 HydrophobicContact CD2-CD2 4.46Å; F333-L345 HydrophobicContact CE1-CD1 4.31Å; F333-L345 HydrophobicContact CZ-CB 4.34Å; P334-L345 HydrophobicContact CG-CD1 3.72Å; M340-L345 HydrophobicContact CB-CB 4.49Å; M340-L345 PolarHBondContact O-N 2.85Å; Q343-L345 HydrophobicContact CB-CD1 4.07Å; Q343-L345 HydrophobicContact CB-CD2 4.44Å; Q343-L345 HydrophobicContact CB-CG 3.82Å
346A98.6Very high96.1Very high4 Ų443.3 Ų43.33%0.03323%0.228CC..BIsolated β-bridgetrans-136.3159.2-178.700000111.4V296 A297 L298 M340 F348V296-A346 HydrophobicContact CG1-CB 3.83Å; V296-A346 HydrophobicContact CG2-CB 3.86Å; A297-A346 WeakPolarHBondContact O-CA 3.42Å; L298-A346 HydrophobicContact CD2-CB 3.98Å; M340-A346 HydrophobicContact CB-CB 4.35Å; M340-A346 HydrophobicContact CE-CB 3.56Å; A346-F348 HydrophobicContact CB-CE2 3.86Å; A346-F348 HydrophobicContact CB-CZ 4.29Å; A346-F348 VanDerWaalsContact O-CD2 3.28Å; A346-F348 WeakPolarHBondContact O-CD2 3.31Å; A346-F348 WeakPolarHBondContact O-CE2 3.32Å
347W98.4Very high96.1Very high27 Ų2746.1 Ų46.110%0.10224%0.237CC..  trans-90.4139.5178.2-63.2111.6000111.5V296 A297 L298 T299 I383 Y433 Q434 E437V296-W347 WeakPolarHBondContact CG2-O 3.4Å; A297-W347 PolarHBondContact O-N 3.44Å; L298-W347 PolarHBondContact O-NE1 3.28Å; T299-W347 HydrophobicContact CG2-CD2 3.95Å; T299-W347 HydrophobicContact CG2-CE3 4.34Å; T299-W347 HydrophobicContact CG2-CG 4.38Å; T299-W347 HydrophobicContact CG2-CH2 4.41Å; T299-W347 HydrophobicContact CG2-CZ2 4.03Å; W347-I383 HydrophobicContact CB-CB 4.28Å; W347-I383 HydrophobicContact CB-CD1 4.04Å; W347-I383 HydrophobicContact CB-CG1 4.34Å; W347-I383 PolarHBondContact O-N 3.35Å; W347-Y433 AromaticContact CD1-CG 3.91Å; W347-Q434 HydrophobicContact CH2-CB 3.48Å; W347-Q434 VanDerWaalsContact CH2-CB 3.48Å; W347-Q434 HydrophobicContact CH2-CG 3.72Å; W347-Q434 HydrophobicContact CZ2-CB 3.88Å; W347-Q434 HydrophobicContact CZ3-CB 3.92Å; W347-Q434 HydrophobicContact CZ3-CG 4.01Å; W347-E437 HydrophobicContact CE3-CB 4.01Å; W347-E437 HydrophobicContact CE3-CG 4.41Å
348F97.6Very high96.1Very high1 Ų147.8 Ų47.80%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-128.8140.3-177.8-66.7-97.4000112E337 M340 R341 A346 Y350 A380 Q381 P382 E437E337-F348 HydrophobicContact CB-CE1 4.05Å; E337-F348 HydrophobicContact CB-CZ 4.47Å; E337-F348 HydrophobicContact CG-CE1 4.46Å; E337-F348 VanDerWaalsContact O-CZ 3.31Å; E337-F348 WeakPolarHBondContact O-CZ 3.45Å; M340-F348 HydrophobicContact CB-CE2 4.47Å; M340-F348 HydrophobicContact CB-CZ 4.2Å; R341-F348 HydrophobicContact CB-CD2 3.91Å; R341-F348 HydrophobicContact CB-CE2 3.57Å; R341-F348 HydrophobicContact CB-CZ 3.91Å; R341-F348 HydrophobicContact CG-CD2 4.1Å; R341-F348 HydrophobicContact CG-CE2 4.28Å; A346-F348 HydrophobicContact CB-CE2 3.86Å; A346-F348 HydrophobicContact CB-CZ 4.29Å; A346-F348 VanDerWaalsContact O-CD2 3.28Å; A346-F348 WeakPolarHBondContact O-CD2 3.31Å; A346-F348 WeakPolarHBondContact O-CE2 3.32Å; F348-Y350 HydrophobicContact CB-CE2 3.89Å; F348-Y350 WeakPolarHBondContact O-CD2 3.35Å; F348-Y350 WeakPolarHBondContact O-CE2 3.46Å; F348-A380 HydrophobicContact CB-CB 4.3Å; F348-A380 HydrophobicContact CD1-CB 4.25Å; F348-Q381 CarbonylContact C-O 3Å; F348-Q381 WeakPolarHBondContact CA-O 3.38Å; F348-P382 HydrophobicContact CE1-CB 4.4Å; F348-E437 PolarHBondContact N-OE1 3.12Å; F348-E437 WeakPolarHBondContact O-CB 3.18Å; F348-E437 WeakPolarHBondContact O-CG 3.48Å
349R96.6Very high96.1Very high45 Ų4547.5 Ų47.517%0.1726%0.259CS..EExtended strand (participates in β ladder)trans-90.9122.4168.4-170.3173-69.7116.8-3109.1D116 Q381 I383D116-R349 IonicContact OD1-CZ 3.14Å; D116-R349 IonicContact OD1-NE 3.36Å; D116-R349 IonicContact OD1-NH2 2.78Å; D116-R349 PolarHBondContact OD1-NH2 2.97Å; R349-Q381 PolarHBondContact N-O 3.11Å; R349-Q381 PolarHBondContact O-N 2.62Å; R349-I383 HydrophobicContact CB-CD1 4.47Å; R349-I383 HydrophobicContact CB-CG1 4.04Å
350Y96.2Very high96Very high9 Ų949.7 Ų49.74%0.03526%0.263CS..EExtended strand (participates in β ladder)trans-96.9140.9177.3-60.8-98.4000110.1R341 F348 P369 I373 V378 V379 A380 E437 S440 K441 C444 L446R341-Y350 WeakPolarHBondContact CD-OH 3.39Å; R341-Y350 WeakPolarHBondContact CG-OH 3.36Å; F348-Y350 HydrophobicContact CB-CE2 3.89Å; F348-Y350 WeakPolarHBondContact O-CD2 3.35Å; F348-Y350 WeakPolarHBondContact O-CE2 3.46Å; Y350-P369 HydrophobicContact CD1-CB 3.92Å; Y350-P369 HydrophobicContact CD1-CG 4.46Å; Y350-P369 HydrophobicContact CE1-CB 3.56Å; Y350-P369 HydrophobicContact CE1-CG 3.67Å; Y350-I373 HydrophobicContact CE1-CD1 4.34Å; Y350-V378 HydrophobicContact CD1-CG1 3.84Å; Y350-V379 WeakPolarHBondContact CA-O 3.15Å; Y350-A380 HydrophobicContact CD1-CB 3.9Å; Y350-A380 HydrophobicContact CE1-CB 3.7Å; Y350-E437 HydrophobicContact CD2-CG 4.29Å; Y350-E437 HydrophobicContact CE2-CG 3.92Å; Y350-S440 PolarHBondContact N-OG 2.76Å; Y350-S440 WeakPolarHBondContact O-CB 3.24Å; Y350-K441 HydrophobicContact CD2-CD 4.33Å; Y350-K441 HydrophobicContact CD2-CG 3.61Å; Y350-K441 HydrophobicContact CE2-CD 4.31Å; Y350-K441 HydrophobicContact CE2-CG 4.08Å; Y350-K441 HydrophobicContact CG-CG 4.11Å; Y350-C444 VanDerWaalsContact C-SG 3.55Å; Y350-C444 PolarHBondContact O-SG 2.9Å; Y350-L446 HydrophobicContact CD1-CD1 4.46Å
351R95.2Very high95.7Very high73 Ų7358.6 Ų58.628%0.27531%0.305SS..EExtended strand (participates in β ladder)trans-141.215716967.9173.3131.8-14121.5110.9N56 V378 V379 C444N56-R351 VanDerWaalsContact CB-NH2 3.27Å; N56-R351 PolarHBondContact O-NH1 2.67Å; N56-R351 PolarHBondContact O-NH2 2.99Å; R351-V378 CarbonylContact O-C 3.49Å; R351-V378 VanDerWaalsContact O-CA 3.31Å; R351-V378 WeakPolarHBondContact O-CA 3.31Å; R351-V379 HydrophobicContact CG-CG1 3.28Å; R351-V379 PolarHBondContact N-O 3.25Å; R351-V379 PolarHBondContact O-N 2.93Å; R351-C444 VanDerWaalsContact C-SG 3.51Å; R351-C444 WeakPolarHBondContact CA-SG 3.39Å
352L95.8Very high95.6Very high26 Ų2659 Ų5914%0.13632%0.316CS..EExtended strand (participates in β ladder)trans-76.7138.8166.7-61.8176.2000110E357 R360 I363 W377 V378 C444L352-E357 VanDerWaalsContact CD1-OE2 3.29Å; L352-E357 WeakPolarHBondContact CD1-OE2 3.45Å; L352-R360 HydrophobicContact CD1-CG 4.28Å; L352-I363 HydrophobicContact CD2-CD1 3.33Å; L352-W377 WeakPolarHBondContact CA-O 3.46Å; L352-V378 HydrophobicContact CD2-CG2 3.86Å; L352-C444 HydrophobicContact CD2-CB 4.13Å; L352-C444 HydrophobicContact CG-CB 4.19Å
353T94.7Very high95.7Very high32 Ų3253.3 Ų53.320%0.19629%0.289CS..  trans-79.1168164.970.90000109.2S355 G356 E357 G376 W377 V379T353-S355 PolarHBondContact O-N 3.41Å; T353-S355 VanDerWaalsContact O-N 3.17Å; T353-S355 PolarHBondContact OG1-N 3.48Å; T353-G356 WeakPolarHBondContact O-CA 3.44Å; T353-G356 PolarHBondContact O-N 3.34Å; T353-G356 PolarHBondContact OG1-N 2.95Å; T353-E357 PolarHBondContact O-N 2.9Å; T353-G376 WeakPolarHBondContact CB-O 3.28Å; T353-G376 VanDerWaalsContact CG2-O 3.24Å; T353-G376 WeakPolarHBondContact CG2-O 3.4Å; T353-G376 PolarHBondContact OG1-O 3.01Å; T353-W377 PolarHBondContact N-O 2.93Å; T353-W377 PolarHBondContact OG1-O 3.48Å; T353-V379 HydrophobicContact CG2-CB 4.42Å; T353-V379 HydrophobicContact CG2-CG1 4.37Å
354P94Very high95.6Very high123 Ų12354.5 Ų54.580%0.79930%0.295SS*.Hα-helixtrans-54.1-34.3171.3-27.636000113.4A358P354-A358 PolarHBondContact O-N 3.46Å
355S95.4Very high95.5Very high57 Ų5757.3 Ų57.340%0.39931%0.307SS..Hα-helixtrans-69.8-39.7174.6-173.20000112.1T353 A358 H359T353-S355 PolarHBondContact O-N 3.41Å; T353-S355 VanDerWaalsContact O-N 3.17Å; T353-S355 PolarHBondContact OG1-N 3.48Å; S355-A358 PolarHBondContact O-N 2.9Å; S355-H359 PolarHBondContact O-N 2.99Å; S355-H359 PolarHBondContact O-ND1 3.35Å
356G95.5Very high95.2Very high0 Ų060.5 Ų60.50%034%0.341CS..Hα-helixtrans-66.3-36.1175.600000113.3T353 A358 H359 R360 W377T353-G356 WeakPolarHBondContact O-CA 3.44Å; T353-G356 PolarHBondContact O-N 3.34Å; T353-G356 PolarHBondContact OG1-N 2.95Å; G356-A358 VanDerWaalsContact C-N 3.3Å; G356-A358 PolarHBondContact O-N 3.49Å; G356-H359 CarbonylContact O-C 3.53Å; G356-H359 VanDerWaalsContact O-C 3.26Å; G356-H359 WeakPolarHBondContact O-CA 3.35Å; G356-H359 PolarHBondContact O-N 3.4Å; G356-R360 PolarHBondContact O-N 3.42Å; G356-W377 WeakPolarHBondContact CA-O 3.36Å
357E95.2Very high94.9Very high96 Ų9663.1 Ų63.145%0.44935%0.354SS..Hα-helixtrans-62.2-38.9175.7-162.563.2-141.500111.4L352 T353 H359 R360L352-E357 VanDerWaalsContact CD1-OE2 3.29Å; L352-E357 WeakPolarHBondContact CD1-OE2 3.45Å; T353-E357 PolarHBondContact O-N 2.9Å; E357-H359 PolarHBondContact O-N 3.04Å; E357-R360 VanDerWaalsContact CD-NH1 3.32Å; E357-R360 WeakPolarHBondContact O-CB 3.16Å; E357-R360 PolarHBondContact O-N 3.41Å; E357-R360 WeakPolarHBondContact OE1-CD 3.42Å; E357-R360 IonicContact OE1-CZ 3.69Å; E357-R360 IonicContact OE1-NE 2.73Å; E357-R360 IonicContact OE1-NH1 2.78Å; E357-R360 PolarHBondContact OE1-NH1 3.17Å; E357-R360 IonicContact OE2-NH1 3.07Å; E357-R360 PolarHBondContact OE2-NH1 3.3Å
358A94.9Very high94.5Very high84 Ų8466.5 Ų66.569%0.69437%0.374SS*.Hα-helixtrans-65.4-22.2173.600000113.6P354 S355 G356P354-A358 PolarHBondContact O-N 3.46Å; S355-A358 PolarHBondContact O-N 2.9Å; G356-A358 VanDerWaalsContact C-N 3.3Å; G356-A358 PolarHBondContact O-N 3.49Å
359H94.3Very high94.3Very high80 Ų8067.4 Ų67.437%0.3738%0.38SS..THydrogen-bonded Turntrans-109.918.3178.9-62.586.7000112.8S355 G356 E357 Q361 A362 W377S355-H359 PolarHBondContact O-N 2.99Å; S355-H359 PolarHBondContact O-ND1 3.35Å; G356-H359 CarbonylContact O-C 3.53Å; G356-H359 VanDerWaalsContact O-C 3.26Å; G356-H359 WeakPolarHBondContact O-CA 3.35Å; G356-H359 PolarHBondContact O-N 3.4Å; E357-H359 PolarHBondContact O-N 3.04Å; H359-Q361 PolarHBondContact O-N 2.81Å; H359-A362 WeakPolarHBondContact O-CB 3.48Å; H359-A362 PolarHBondContact O-N 3.41Å; H359-W377 HydrophobicContact CB-CD2 3.97Å; H359-W377 HydrophobicContact CB-CE3 4.02Å; H359-W377 HydrophobicContact CB-CH2 4.04Å; H359-W377 HydrophobicContact CB-CZ2 3.98Å; H359-W377 HydrophobicContact CB-CZ3 4.06Å; H359-W377 AromaticContact CD2-CZ2 3.58Å; H359-W377 AromaticContact CG-CE2 3.72Å; H359-W377 AromaticContact CG-CZ2 3.65Å; H359-W377 AromaticContact ND1-CE2 3.94Å; H359-W377 AromaticContact ND1-NE1 3.78Å
360R93Very high94Very high107 Ų10766.8 Ų66.840%0.40438%0.379SS..G310 helixtrans-54.6-32.6-174.1-172175.8-167.7113.613.1113.9L352 G356 E357 A362 I363 R443L352-R360 HydrophobicContact CD1-CG 4.28Å; G356-R360 PolarHBondContact O-N 3.42Å; E357-R360 VanDerWaalsContact CD-NH1 3.32Å; E357-R360 WeakPolarHBondContact O-CB 3.16Å; E357-R360 PolarHBondContact O-N 3.41Å; E357-R360 WeakPolarHBondContact OE1-CD 3.42Å; E357-R360 IonicContact OE1-CZ 3.69Å; E357-R360 IonicContact OE1-NE 2.73Å; E357-R360 IonicContact OE1-NH1 2.78Å; E357-R360 PolarHBondContact OE1-NH1 3.17Å; E357-R360 IonicContact OE2-NH1 3.07Å; E357-R360 PolarHBondContact OE2-NH1 3.3Å; R360-A362 PolarHBondContact O-N 2.98Å; R360-I363 PolarHBondContact O-N 3.25Å; R360-R443 PolarHBondContact NH2-O 3.42Å
361Q92.7Very high93.9Very high188 Ų18869 Ų6988%0.87940%0.395SS*.G310 helixtrans-68.3-17.2177.8-64.6-177-400113.8H359 H364H359-Q361 PolarHBondContact O-N 2.81Å; Q361-H364 PolarHBondContact O-CE1 3.5Å; Q361-H364 VanDerWaalsContact O-CE1 3.23Å
362A93.3Very high93.9Very high45 Ų4565.9 Ų65.937%0.37238%0.383SS..G310 helixtrans-975.5178.500000113.2H359 R360 W377H359-A362 WeakPolarHBondContact O-CB 3.48Å; H359-A362 PolarHBondContact O-N 3.41Å; R360-A362 PolarHBondContact O-N 2.98Å; A362-W377 HydrophobicContact CB-CH2 4.36Å; A362-W377 HydrophobicContact CB-CZ3 4.03Å
363I95.5Very high93.8Very high10 Ų1066.5 Ų66.55%0.05139%0.386CS..  trans-109.1123.9176.8-57.6174.5000107.5L352 R360 L372 W377 V378 C444 L446L352-I363 HydrophobicContact CD2-CD1 3.33Å; R360-I363 PolarHBondContact O-N 3.25Å; I363-L372 HydrophobicContact CG1-CD1 4.3Å; I363-L372 HydrophobicContact CG1-CD2 4.31Å; I363-L372 HydrophobicContact CG2-CD1 3.85Å; I363-W377 HydrophobicContact CG1-CE3 4.31Å; I363-V378 HydrophobicContact CD1-CG2 4.45Å; I363-C444 WeakPolarHBondContact CG2-O 3.18Å; I363-L446 HydrophobicContact CG2-CD2 3.73Å; I363-L446 HydrophobicContact CG2-CG 4.38Å
364H95.3Very high93.8Very high103 Ų10371.9 Ų71.948%0.47741%0.409SS..  trans-121.1150.9-173.6-58.1-51000112.3Q361 G366 D367 G445Q361-H364 PolarHBondContact O-CE1 3.5Å; Q361-H364 VanDerWaalsContact O-CE1 3.23Å; H364-G366 PolarHBondContact O-N 2.77Å; H364-D367 PolarHBondContact N-OD2 3.44Å; H364-D367 VanDerWaalsContact O-CB 3.29Å; H364-D367 WeakPolarHBondContact O-CB 3.5Å; H364-D367 VanDerWaalsContact O-CG 3.24Å; H364-D367 PolarHBondContact O-N 2.74Å; H364-D367 VanDerWaalsContact O-N 3.09Å; H364-G445 CarbonylContact C-O 3.5Å
365P95.1Very high93.8Very high92 Ų9273 Ų7360%0.59740%0.398SS*.THydrogen-bonded Turntrans-58.5132.4173.8-25.935.1000111.3G445P365-G445 VanDerWaalsContact CA-O 3.31Å; P365-G445 WeakPolarHBondContact CA-O 3.27Å; P365-G445 WeakPolarHBondContact CD-O 3.37Å
366G92Very high93.8Very high69 Ų6972 Ų7271%0.71140%0.395SS*.THydrogen-bonded Turntrans88.3-4.2-176.200000115.3H364 L446H364-G366 PolarHBondContact O-N 2.77Å; G366-L446 PolarHBondContact N-O 3.29Å
367D92.4Very high93.9Very high58 Ų5873.5 Ų73.531%0.3140%0.401SS..  trans-59.9140.1172.4-77.4-12.3000111.2H364 P369 L372 L446H364-D367 PolarHBondContact N-OD2 3.44Å; H364-D367 VanDerWaalsContact O-CB 3.29Å; H364-D367 WeakPolarHBondContact O-CB 3.5Å; H364-D367 VanDerWaalsContact O-CG 3.24Å; H364-D367 PolarHBondContact O-N 2.74Å; H364-D367 VanDerWaalsContact O-N 3.09Å; D367-P369 WeakPolarHBondContact O-CD 3.05Å; D367-L372 HydrophobicContact CB-CD1 4.3Å; D367-L446 HydrophobicContact CB-CD2 4.07Å
368D90Very high93.9Very high98 Ų9869.1 Ų69.152%0.52438%0.381SS..  trans-64.5122166.7-179.90.9000108.6Q370 P371D368-Q370 PolarHBondContact O-N 3.12Å; D368-Q370 WeakPolarHBondContact OD1-CB 3.29Å; D368-Q370 PolarHBondContact OD1-N 3Å; D368-P371 WeakPolarHBondContact O-CD 3.37Å
369P92.7Very high93.9Very high20 Ų2067.7 Ų67.713%0.1336%0.363CS..Hα-helixtrans-65.2-20.6177.826.1-35000113Y350 D367 L372 I373 L446Y350-P369 HydrophobicContact CD1-CB 3.92Å; Y350-P369 HydrophobicContact CD1-CG 4.46Å; Y350-P369 HydrophobicContact CE1-CB 3.56Å; Y350-P369 HydrophobicContact CE1-CG 3.67Å; D367-P369 WeakPolarHBondContact O-CD 3.05Å; P369-L372 WeakPolarHBondContact O-CB 3.47Å; P369-L372 PolarHBondContact O-N 2.73Å; P369-L372 VanDerWaalsContact O-N 3.12Å; P369-I373 HydrophobicContact CB-CD1 4.33Å; P369-I373 VanDerWaalsContact O-CG1 3.27Å; P369-I373 WeakPolarHBondContact O-CG1 3.48Å; P369-I373 PolarHBondContact O-N 2.88Å; P369-L446 HydrophobicContact CB-CD1 4.14Å
370Q91.3Very high94Very high33 Ų3364.2 Ų64.215%0.15435%0.349CS..Hα-helixtrans-61.3-50.7-173.5179.56034.900113.4F338 D368 L372 I373 E374F338-Q370 VanDerWaalsContact CE2-CD 3.46Å; F338-Q370 HydrophobicContact CE2-CG 4.14Å; D368-Q370 PolarHBondContact O-N 3.12Å; D368-Q370 WeakPolarHBondContact OD1-CB 3.29Å; D368-Q370 PolarHBondContact OD1-N 3Å; Q370-L372 PolarHBondContact O-N 2.84Å; Q370-I373 WeakPolarHBondContact O-CB 3.27Å; Q370-I373 PolarHBondContact O-N 2.91Å; Q370-I373 VanDerWaalsContact O-N 3.13Å; Q370-E374 PolarHBondContact NE2-OE1 2.76Å; Q370-E374 PolarHBondContact O-N 3.24Å
371P93.2Very high94.1Very high56 Ų5660.1 Ų60.136%0.36433%0.334SS..Hα-helixtrans-55.6-34.7171.2-28.433.4000114.4D368 E374 R375D368-P371 WeakPolarHBondContact O-CD 3.37Å; P371-E374 PolarHBondContact O-N 2.88Å; P371-R375 VanDerWaalsContact O-CG 3.31Å; P371-R375 WeakPolarHBondContact O-CG 3.16Å; P371-R375 PolarHBondContact O-N 3.43Å; P371-R375 VanDerWaalsContact O-N 3.08Å
372L95.7Very high94.3Very high6 Ų652.8 Ų52.83%0.03130%0.303CS..Hα-helixtrans-74-31.8179.9-53.5176.5000111.7I363 D367 P369 Q370 G376 W377 V378 L446I363-L372 HydrophobicContact CG1-CD1 4.3Å; I363-L372 HydrophobicContact CG1-CD2 4.31Å; I363-L372 HydrophobicContact CG2-CD1 3.85Å; D367-L372 HydrophobicContact CB-CD1 4.3Å; P369-L372 WeakPolarHBondContact O-CB 3.47Å; P369-L372 PolarHBondContact O-N 2.73Å; P369-L372 VanDerWaalsContact O-N 3.12Å; Q370-L372 PolarHBondContact O-N 2.84Å; L372-G376 PolarHBondContact O-N 3.31Å; L372-W377 HydrophobicContact CD2-CE3 3.82Å; L372-W377 HydrophobicContact CD2-CZ3 4.26Å; L372-W377 PolarHBondContact O-N 3.36Å; L372-V378 HydrophobicContact CB-CB 3.97Å; L372-V378 HydrophobicContact CB-CG2 3.68Å; L372-V378 HydrophobicContact CD1-CG2 4.04Å; L372-V378 PolarHBondContact O-N 3.45Å; L372-V378 VanDerWaalsContact O-N 3.12Å; L372-L446 HydrophobicContact CD1-CD2 3.57Å
373I94.5Very high94.5Very high39 Ų3950.9 Ų50.920%0.229%0.287CS..Hα-helixtrans-68-44171.4-66.9163.4000110.6Y350 P369 Q370 R375 G376 V378 A380Y350-I373 HydrophobicContact CE1-CD1 4.34Å; P369-I373 HydrophobicContact CB-CD1 4.33Å; P369-I373 VanDerWaalsContact O-CG1 3.27Å; P369-I373 WeakPolarHBondContact O-CG1 3.48Å; P369-I373 PolarHBondContact O-N 2.88Å; Q370-I373 WeakPolarHBondContact O-CB 3.27Å; Q370-I373 PolarHBondContact O-N 2.91Å; Q370-I373 VanDerWaalsContact O-N 3.13Å; I373-R375 VanDerWaalsContact C-N 3.29Å; I373-R375 PolarHBondContact O-N 2.95Å; I373-G376 WeakPolarHBondContact O-CA 3.16Å; I373-G376 PolarHBondContact O-N 2.97Å; I373-V378 VanDerWaalsContact CA-O 3.32Å; I373-V378 WeakPolarHBondContact CA-O 3.5Å; I373-V378 HydrophobicContact CG1-CB 4.17Å; I373-V378 HydrophobicContact CG1-CG1 4.09Å; I373-A380 HydrophobicContact CD1-CB 3.76Å
374E93.6Very high94.6Very high145 Ų14550.8 Ų50.868%0.67829%0.286SS*.Hα-helixtrans-63-34.7177.3-72.5173.3-162.900112.8Q370 P371 G376Q370-E374 PolarHBondContact NE2-OE1 2.76Å; Q370-E374 PolarHBondContact O-N 3.24Å; P371-E374 PolarHBondContact O-N 2.88Å; E374-G376 PolarHBondContact O-N 3.07Å
375R95.2Very high94.7Very high148 Ų14846 Ų4656%0.55826%0.264SS*.THydrogen-bonded Turntrans-73.4-9.9172-69.8175.3-174.8178.64.8113.7P371 I373 W377P371-R375 VanDerWaalsContact O-CG 3.31Å; P371-R375 WeakPolarHBondContact O-CG 3.16Å; P371-R375 PolarHBondContact O-N 3.43Å; P371-R375 VanDerWaalsContact O-N 3.08Å; I373-R375 VanDerWaalsContact C-N 3.29Å; I373-R375 PolarHBondContact O-N 2.95Å; R375-W377 VanDerWaalsContact C-N 3.27Å; R375-W377 HydrophobicContact CB-CD2 4.02Å; R375-W377 HydrophobicContact CB-CG 3.94Å; R375-W377 VanDerWaalsContact NH1-CH2 3.31Å; R375-W377 VanDerWaalsContact NH1-CZ3 3.29Å; R375-W377 PolarHBondContact O-N 3.41Å
376G95.3Very high94.9Very high34 Ų3442 Ų4235%0.35124%0.237SC..THydrogen-bonded Turntrans69.921.8-173.800000113.6T353 L372 I373 E374T353-G376 WeakPolarHBondContact CB-O 3.28Å; T353-G376 VanDerWaalsContact CG2-O 3.24Å; T353-G376 WeakPolarHBondContact CG2-O 3.4Å; T353-G376 PolarHBondContact OG1-O 3.01Å; L372-G376 PolarHBondContact O-N 3.31Å; I373-G376 WeakPolarHBondContact O-CA 3.16Å; I373-G376 PolarHBondContact O-N 2.97Å; E374-G376 PolarHBondContact O-N 3.07Å
377W96.7Very high95.1Very high33 Ų3338.7 Ų38.713%0.12520%0.204CC..SBendtrans-86.9-36.8177.6-65.2-1.6000111.9L352 T353 G356 H359 A362 I363 L372 R375L352-W377 WeakPolarHBondContact CA-O 3.46Å; T353-W377 PolarHBondContact N-O 2.93Å; T353-W377 PolarHBondContact OG1-O 3.48Å; G356-W377 WeakPolarHBondContact CA-O 3.36Å; H359-W377 HydrophobicContact CB-CD2 3.97Å; H359-W377 HydrophobicContact CB-CE3 4.02Å; H359-W377 HydrophobicContact CB-CH2 4.04Å; H359-W377 HydrophobicContact CB-CZ2 3.98Å; H359-W377 HydrophobicContact CB-CZ3 4.06Å; H359-W377 AromaticContact CD2-CZ2 3.58Å; H359-W377 AromaticContact CG-CE2 3.72Å; H359-W377 AromaticContact CG-CZ2 3.65Å; H359-W377 AromaticContact ND1-CE2 3.94Å; H359-W377 AromaticContact ND1-NE1 3.78Å; A362-W377 HydrophobicContact CB-CH2 4.36Å; A362-W377 HydrophobicContact CB-CZ3 4.03Å; I363-W377 HydrophobicContact CG1-CE3 4.31Å; L372-W377 HydrophobicContact CD2-CE3 3.82Å; L372-W377 HydrophobicContact CD2-CZ3 4.26Å; L372-W377 PolarHBondContact O-N 3.36Å; R375-W377 VanDerWaalsContact C-N 3.27Å; R375-W377 HydrophobicContact CB-CD2 4.02Å; R375-W377 HydrophobicContact CB-CG 3.94Å; R375-W377 VanDerWaalsContact NH1-CH2 3.31Å; R375-W377 VanDerWaalsContact NH1-CZ3 3.29Å; R375-W377 PolarHBondContact O-N 3.41Å
378V96.2Very high95.2Very high3 Ų336.4 Ų36.42%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-114.9146.8175.1174.30000108.4Y350 R351 L352 I363 L372 I373Y350-V378 HydrophobicContact CD1-CG1 3.84Å; R351-V378 CarbonylContact O-C 3.49Å; R351-V378 VanDerWaalsContact O-CA 3.31Å; R351-V378 WeakPolarHBondContact O-CA 3.31Å; L352-V378 HydrophobicContact CD2-CG2 3.86Å; I363-V378 HydrophobicContact CD1-CG2 4.45Å; L372-V378 HydrophobicContact CB-CB 3.97Å; L372-V378 HydrophobicContact CB-CG2 3.68Å; L372-V378 HydrophobicContact CD1-CG2 4.04Å; L372-V378 PolarHBondContact O-N 3.45Å; L372-V378 VanDerWaalsContact O-N 3.12Å; I373-V378 VanDerWaalsContact CA-O 3.32Å; I373-V378 WeakPolarHBondContact CA-O 3.5Å; I373-V378 HydrophobicContact CG1-CB 4.17Å; I373-V378 HydrophobicContact CG1-CG1 4.09Å
379V94.9Very high95.1Very high54 Ų5431.8 Ų31.833%0.32717%0.166SC..EExtended strand (participates in β ladder)trans-122.7136.1163.762.60000109.1Y350 R351 T353Y350-V379 WeakPolarHBondContact CA-O 3.15Å; R351-V379 HydrophobicContact CG-CG1 3.28Å; R351-V379 PolarHBondContact N-O 3.25Å; R351-V379 PolarHBondContact O-N 2.93Å; T353-V379 HydrophobicContact CG2-CB 4.42Å; T353-V379 HydrophobicContact CG2-CG1 4.37Å
380A95.5Very high93.7Very high8 Ų833.1 Ų33.17%0.06618%0.175CC..EExtended strand (participates in β ladder)trans-103.2126.7174.900000109.1F348 Y350 I373F348-A380 HydrophobicContact CB-CB 4.3Å; F348-A380 HydrophobicContact CD1-CB 4.25Å; Y350-A380 HydrophobicContact CD1-CB 3.9Å; Y350-A380 HydrophobicContact CE1-CB 3.7Å; I373-A380 HydrophobicContact CD1-CB 3.76Å
381Q94.6Very high92.3Very high20 Ų2034.4 Ų34.49%0.09319%0.185CC..EExtended strand (participates in β ladder)trans-117.4138.5178.7-60.3-168.7-6800110.8K53 F348 R349 I383K53-Q381 PolarHBondContact O-NE2 3.09Å; F348-Q381 CarbonylContact C-O 3Å; F348-Q381 WeakPolarHBondContact CA-O 3.38Å; R349-Q381 PolarHBondContact N-O 3.11Å; R349-Q381 PolarHBondContact O-N 2.62Å; Q381-I383 PolarHBondContact O-N 3.45Å
382P96.6Very high90.6Very high35 Ų3532.1 Ų32.123%0.22717%0.17CC..EExtended strand (participates in β ladder)trans-58.8132.3175.523.9-31.8000110.8V296 F348 T384V296-P382 HydrophobicContact CB-CB 3.64Å; V296-P382 HydrophobicContact CG2-CB 3.32Å; F348-P382 HydrophobicContact CE1-CB 4.4Å; P382-T384 PolarHBondContact O-N 2.77Å
383I97.4Very high88.6Confident5 Ų532.3 Ų32.33%0.02617%0.172CC..PPolyproline II helixtrans-76.8120.4170.8-59.9-175.4000108.4V296 A297 W347 R349 Q381 Y433 A436 E437V296-I383 CarbonylContact C-O 3.54Å; V296-I383 WeakPolarHBondContact CA-O 3.42Å; V296-I383 WeakPolarHBondContact CG2-O 3.25Å; A297-I383 PolarHBondContact N-O 3.07Å; W347-I383 HydrophobicContact CB-CB 4.28Å; W347-I383 HydrophobicContact CB-CD1 4.04Å; W347-I383 HydrophobicContact CB-CG1 4.34Å; W347-I383 PolarHBondContact O-N 3.35Å; R349-I383 HydrophobicContact CB-CD1 4.47Å; R349-I383 HydrophobicContact CB-CG1 4.04Å; Q381-I383 PolarHBondContact O-N 3.45Å; I383-Y433 HydrophobicContact CG2-CD1 3.82Å; I383-Y433 HydrophobicContact CG2-CE1 4.14Å; I383-A436 HydrophobicContact CD1-CB 4.08Å; I383-E437 HydrophobicContact CD1-CB 4.22Å
384T97.8Very high86.6Confident7 Ų730.6 Ų30.64%0.04316%0.164CC..BIsolated β-bridgetrans-55.7137.6176.1-69.90000111.5E59 R294 G295 P382 E386E59-T384 PolarHBondContact OE1-OG1 2.82Å; R294-T384 HydrophobicContact CB-CG2 4.1Å; G295-T384 CarbonylContact O-C 3.57Å; G295-T384 WeakPolarHBondContact O-CA 3.19Å; P382-T384 PolarHBondContact O-N 2.77Å; T384-E386 PolarHBondContact O-N 3.03Å
385Y98.2Very high84.8Confident4 Ų424.6 Ų24.62%0.01614%0.141CC..PPolyproline II helixtrans-75118.8173.8-173.6-119.3000110.9L261 L262 R294 G295 A297 D387 F388 Y433L261-Y385 HydrophobicContact CB-CD1 4.11Å; L261-Y385 HydrophobicContact CB-CE1 4.22Å; L261-Y385 HydrophobicContact CD2-CD1 4.33Å; L261-Y385 HydrophobicContact CD2-CD2 3.98Å; L261-Y385 HydrophobicContact CD2-CE1 4.21Å; L261-Y385 HydrophobicContact CD2-CE2 3.83Å; L261-Y385 HydrophobicContact CD2-CG 4.21Å; L261-Y385 WeakPolarHBondContact O-CB 3.41Å; L262-Y385 HydrophobicContact CD2-CD1 4.11Å; L262-Y385 HydrophobicContact CD2-CE1 4.11Å; L262-Y385 HydrophobicContact CG-CD1 4.45Å; R294-Y385 WeakPolarHBondContact CD-O 3.43Å; R294-Y385 PolarHBondContact NH1-O 2.78Å; G295-Y385 PolarHBondContact O-N 3.49Å; A297-Y385 HydrophobicContact CB-CD2 4.09Å; Y385-D387 HydrophobicContact CD2-CB 4.47Å; Y385-D387 HydrophobicContact CE1-CB 4.18Å; Y385-D387 VanDerWaalsContact CE1-O 3.31Å; Y385-D387 WeakPolarHBondContact CE1-O 3.36Å; Y385-D387 HydrophobicContact CE2-CB 3.75Å; Y385-F388 PolarHBondContact OH-O 2.88Å; Y385-Y433 HydrophobicContact CD2-CE2 4.22Å; Y385-Y433 HydrophobicContact CE2-CE2 4.38Å
386E98.2Very high83Confident7 Ų717.8 Ų17.83%0.03312%0.116CC..  trans-101-4.5-175.6-54.3-61.2176.200114R62 R112 L119 R125 R294 T384 Y433R62-E386 IonicContact CZ-OE1 3.23Å; R62-E386 VanDerWaalsContact CZ-OE1 3.29Å; R62-E386 IonicContact CZ-OE2 2.77Å; R62-E386 IonicContact NH1-OE1 3.85Å; R62-E386 PolarHBondContact NH1-OE1 3.22Å; R62-E386 IonicContact NH1-OE2 3.68Å; R62-E386 VanDerWaalsContact NH2-CD 3.3Å; R62-E386 IonicContact NH2-OE1 3.3Å; R62-E386 PolarHBondContact NH2-OE1 3.21Å; R62-E386 IonicContact NH2-OE2 2.74Å; R62-E386 PolarHBondContact NH2-OE2 3.18Å; R112-E386 WeakPolarHBondContact CD-O 3.34Å; L119-E386 HydrophobicContact CD1-CG 3.93Å; L119-E386 HydrophobicContact CD2-CG 4.03Å; R125-E386 WeakPolarHBondContact CD-O 3.48Å; R125-E386 IonicContact NH1-OE2 3.25Å; R125-E386 PolarHBondContact NH1-OE2 3.33Å; R294-E386 VanDerWaalsContact NH1-C 3.26Å; T384-E386 PolarHBondContact O-N 3.03Å; E386-Y433 HydrophobicContact CG-CE1 4.45Å; E386-Y433 PolarHBondContact N-OH 3.3Å
387D96.9Very high81.3Confident0 Ų016.5 Ų16.50%010%0.101CC..SBendtrans-104.8-161.1-175-59.4-69.5000111.1V94 R112 L262 R294 Y385 E429 Y433V94-D387 WeakPolarHBondContact CG1-OD1 3.31Å; R112-D387 IonicContact CZ-OD1 3.57Å; R112-D387 IonicContact CZ-OD2 2.71Å; R112-D387 IonicContact NE-OD1 3.46Å; R112-D387 PolarHBondContact NE-OD1 2.95Å; R112-D387 IonicContact NE-OD2 2.76Å; R112-D387 IonicContact NH2-OD1 3.69Å; R112-D387 PolarHBondContact NH2-OD1 3.09Å; R112-D387 VanDerWaalsContact NH2-OD1 3.09Å; R112-D387 IonicContact NH2-OD2 2.79Å; R112-D387 PolarHBondContact NH2-OD2 2.91Å; L262-D387 WeakPolarHBondContact CD2-O 3.46Å; R294-D387 PolarHBondContact NH1-O 3.11Å; R294-D387 PolarHBondContact NH2-O 3.45Å; Y385-D387 HydrophobicContact CD2-CB 4.47Å; Y385-D387 HydrophobicContact CE1-CB 4.18Å; Y385-D387 VanDerWaalsContact CE1-O 3.31Å; Y385-D387 WeakPolarHBondContact CE1-O 3.36Å; Y385-D387 HydrophobicContact CE2-CB 3.75Å; D387-E429 VanDerWaalsContact OD2-CB 3.28Å; D387-E429 WeakPolarHBondContact OD2-CB 3.31Å; D387-Y433 VanDerWaalsContact OD2-CE2 3.28Å; D387-Y433 WeakPolarHBondContact OD2-CE2 3.38Å; D387-Y433 VanDerWaalsContact OD2-CZ 3.25Å; D387-Y433 PolarHBondContact OD2-OH 3.07Å
388F94.7Very high79.4Confident9 Ų915.6 Ų15.64%0.03910%0.098CC..  trans-123.4159.5-173.8-63.2-93.6000111.5H68 Y97 A110 R125 F127 Y385H68-F388 HydrophobicContact CB-CE1 4.26Å; H68-F388 HydrophobicContact CB-CZ 4Å; H68-F388 AromaticContact CD2-CE1 3.66Å; H68-F388 AromaticContact CE1-CE1 3.9Å; H68-F388 AromaticContact CG-CE1 3.74Å; H68-F388 AromaticContact CG-CZ 3.99Å; H68-F388 AromaticContact ND1-CE1 3.91Å; H68-F388 AromaticContact NE2-CE1 3.79Å; Y97-F388 HydrophobicContact CE1-CB 3.98Å; Y97-F388 PolarHBondContact OH-N 3.35Å; A110-F388 HydrophobicContact CB-CD2 3.72Å; A110-F388 HydrophobicContact CB-CE2 3.52Å; R125-F388 HydrophobicContact CB-CE2 4.37Å; R125-F388 HydrophobicContact CB-CZ 4.22Å; F127-F388 HydrophobicContact CB-CE1 4.16Å; F127-F388 HydrophobicContact CB-CE2 4.2Å; F127-F388 HydrophobicContact CB-CZ 3.92Å; F127-F388 HydrophobicContact CD2-CB 4.22Å; F127-F388 HydrophobicContact CD2-CD1 4.14Å; F127-F388 AromaticContact CD2-CD2 3.66Å; F127-F388 HydrophobicContact CD2-CD2 3.66Å; F127-F388 HydrophobicContact CD2-CE1 4.44Å; F127-F388 HydrophobicContact CD2-CE2 4.01Å; F127-F388 AromaticContact CD2-CG 3.72Å; F127-F388 HydrophobicContact CD2-CG 3.72Å; F127-F388 HydrophobicContact CD2-CZ 4.38Å; F127-F388 HydrophobicContact CE2-CB 4.22Å; F127-F388 HydrophobicContact CE2-CD2 4.36Å; F127-F388 HydrophobicContact CE2-CG 4.23Å; Y385-F388 PolarHBondContact OH-O 2.88Å
389L87.6Confident77.4Confident2 Ų216.9 Ų16.91%0.0111%0.107CC..  trans-75.2124.9173.9-66.1176.3000109.7L261 L262 V391 A393L261-L389 HydrophobicContact CB-CD2 3.82Å; L261-L389 HydrophobicContact CD1-CD2 3.81Å; L261-L389 HydrophobicContact CG-CD2 4.45Å; L262-L389 HydrophobicContact CD1-CD1 3.65Å; L262-L389 HydrophobicContact CD1-CG 3.77Å; L262-L389 HydrophobicContact CG-CD1 4.24Å; L262-L389 HydrophobicContact CG-CD2 4.4Å; L262-L389 HydrophobicContact CG-CG 3.88Å; L389-V391 VanDerWaalsContact C-N 3.33Å; L389-V391 PolarHBondContact O-N 2.83Å; L389-A393 PolarHBondContact O-N 3.18Å
390P64.8Low75.4Confident48 Ų4814.5 Ų14.531%0.3129%0.092SC..THydrogen-bonded Turntrans-65.9-32.1-17424-33.8000114.3Y97 R303Y97-P390 HydrophobicContact CD1-CB 4.34Å; R303-P390 VanDerWaalsContact NH2-CG 3.32Å
391V60.6Low73.6Confident60 Ų6014.6 Ų14.636%0.3649%0.092SC..THydrogen-bonded Turntrans-93.4-35.1-179.21800000112L389 A394 G395 R408L389-V391 VanDerWaalsContact C-N 3.33Å; L389-V391 PolarHBondContact O-N 2.83Å; V391-A394 WeakPolarHBondContact O-CB 3.39Å; V391-A394 PolarHBondContact O-N 2.94Å; V391-G395 PolarHBondContact O-N 3.08Å; V391-R408 VanDerWaalsContact CG1-NH2 3.29Å
392S57.3Low71.2Confident8 Ų816.5 Ų16.56%0.05612%0.117CC..Hα-helixtrans-78.5-25.5-173.9167.70000112.8E251 Q264 A394 G395 I396E251-S392 WeakPolarHBondContact CB-OG 3.43Å; E251-S392 WeakPolarHBondContact OE2-CA 3.19Å; E251-S392 WeakPolarHBondContact OE2-CB 3.44Å; E251-S392 VanDerWaalsContact OE2-O 3.05Å; E251-S392 PolarHBondContact OE2-OG 3.08Å; Q264-S392 PolarHBondContact NE2-OG 3.32Å; S392-A394 PolarHBondContact O-N 3.01Å; S392-G395 PolarHBondContact O-N 2.78Å; S392-G395 VanDerWaalsContact O-N 3.1Å; S392-I396 WeakPolarHBondContact O-CG1 3.38Å; S392-I396 PolarHBondContact O-N 3.49Å
393A54.7Low68.7Low9 Ų917.9 Ų17.97%0.07412%0.122CC..Hα-helixtrans-48.6-51.9165.300000109.3L99 F127 L389 G395 I396 F397L99-A393 HydrophobicContact CD2-CB 4.35Å; F127-A393 HydrophobicContact CZ-CB 4.17Å; L389-A393 PolarHBondContact O-N 3.18Å; A393-G395 PolarHBondContact O-N 3.48Å; A393-I396 CarbonylContact O-C 3.35Å; A393-I396 PolarHBondContact O-N 3.38Å; A393-F397 VanDerWaalsContact C-CD2 3.43Å; A393-F397 HydrophobicContact CB-CD2 4.27Å; A393-F397 HydrophobicContact CB-CE2 4.13Å; A393-F397 WeakPolarHBondContact O-CD2 3.33Å; A393-F397 PolarHBondContact O-N 3.35Å
394A51.5Low65.9Low3 Ų326.1 Ų26.13%0.02516%0.161CC..Hα-helixtrans-64.3-35.518000000114.7L99 A102 V391 S392 I396 F397 Q398L99-A394 HydrophobicContact CD2-CB 4.46Å; L99-A394 HydrophobicContact CG-CB 4.28Å; A102-A394 HydrophobicContact CB-CB 3.22Å; V391-A394 WeakPolarHBondContact O-CB 3.39Å; V391-A394 PolarHBondContact O-N 2.94Å; S392-A394 PolarHBondContact O-N 3.01Å; A394-I396 VanDerWaalsContact C-N 3.34Å; A394-F397 PolarHBondContact O-N 3.03Å; A394-Q398 WeakPolarHBondContact O-CB 3.47Å; A394-Q398 WeakPolarHBondContact O-CG 3.38Å; A394-Q398 PolarHBondContact O-N 3.36Å
395G55.7Low63.2Low20 Ų2031.6 Ų31.621%0.20619%0.194CC..Hα-helixtrans-62.2-42.9173.700000111.7V391 S392 A393 S399V391-G395 PolarHBondContact O-N 3.08Å; S392-G395 PolarHBondContact O-N 2.78Å; S392-G395 VanDerWaalsContact O-N 3.1Å; A393-G395 PolarHBondContact O-N 3.48Å; G395-S399 WeakPolarHBondContact O-CB 3.31Å; G395-S399 PolarHBondContact O-N 3Å; G395-S399 PolarHBondContact O-OG 3.08Å
396I57.6Low60.3Low5 Ų537.9 Ų37.93%0.02622%0.224CC..Hα-helixtrans-65-44.2170.7-64.6-168.2000111.1E251 Q264 E290 S392 A393 A394 Q398 S399 N400E251-I396 WeakPolarHBondContact OE1-CG1 3.48Å; E251-I396 PolarHBondContact OE1-N 3.16Å; Q264-I396 HydrophobicContact CB-CD1 4.29Å; Q264-I396 HydrophobicContact CG-CD1 3.69Å; Q264-I396 VanDerWaalsContact NE2-CD1 3.26Å; E290-I396 VanDerWaalsContact CD-CD1 3.46Å; E290-I396 HydrophobicContact CG-CD1 4.3Å; E290-I396 VanDerWaalsContact OE1-CD1 3.29Å; E290-I396 WeakPolarHBondContact OE1-CD1 3.32Å; E290-I396 WeakPolarHBondContact OE2-CG2 3.4Å; S392-I396 WeakPolarHBondContact O-CG1 3.38Å; S392-I396 PolarHBondContact O-N 3.49Å; A393-I396 CarbonylContact O-C 3.35Å; A393-I396 PolarHBondContact O-N 3.38Å; A394-I396 VanDerWaalsContact C-N 3.34Å; I396-Q398 PolarHBondContact O-N 2.97Å; I396-S399 WeakPolarHBondContact CA-OG 3.44Å; I396-S399 PolarHBondContact O-N 3.48Å; I396-S399 PolarHBondContact O-OG 3.08Å; I396-N400 WeakPolarHBondContact CG2-ND2 3.27Å; I396-N400 WeakPolarHBondContact O-CB 3.43Å; I396-N400 PolarHBondContact O-N 3.07Å; I396-N400 PolarHBondContact O-OD1 3.07Å
397F59.1Low57.3Low7 Ų744.4 Ų44.43%0.03126%0.264CS..Hα-helixtrans-60.1-46.8176.9-81.3-84.8000111.4L99 V104 F127 L210 A393 A394 L401L99-F397 HydrophobicContact CD2-CD2 3.12Å; L99-F397 HydrophobicContact CD2-CE2 3.36Å; L99-F397 HydrophobicContact CD2-CG 3.89Å; L99-F397 HydrophobicContact CD2-CZ 4.18Å; V104-F397 HydrophobicContact CG1-CB 4.31Å; V104-F397 HydrophobicContact CG2-CB 4.18Å; F127-F397 HydrophobicContact CD1-CE2 4.1Å; F127-F397 AromaticContact CD1-CZ 3.89Å; F127-F397 HydrophobicContact CD1-CZ 3.89Å; F127-F397 AromaticContact CE1-CE2 3.55Å; F127-F397 HydrophobicContact CE1-CE2 3.55Å; F127-F397 AromaticContact CE1-CZ 3.64Å; F127-F397 HydrophobicContact CE1-CZ 3.64Å; F127-F397 HydrophobicContact CZ-CE2 4.38Å; L210-F397 HydrophobicContact CD1-CD1 4.03Å; A393-F397 VanDerWaalsContact C-CD2 3.43Å; A393-F397 HydrophobicContact CB-CD2 4.27Å; A393-F397 HydrophobicContact CB-CE2 4.13Å; A393-F397 WeakPolarHBondContact O-CD2 3.33Å; A393-F397 PolarHBondContact O-N 3.35Å; A394-F397 PolarHBondContact O-N 3.03Å; F397-L401 WeakPolarHBondContact O-CB 3.3Å; F397-L401 VanDerWaalsContact O-CD1 3.24Å; F397-L401 WeakPolarHBondContact O-CD1 3.38Å; F397-L401 WeakPolarHBondContact O-CG 3.37Å; F397-L401 PolarHBondContact O-N 2.94Å
398Q57.6Low54.7Low13 Ų1352.4 Ų52.46%0.06129%0.294CS..Hα-helixtrans-64.1-46.2177.4-75.3176.5-1100111.1A102 V104 A394 I396 L401 G402 N403A102-Q398 PolarHBondContact O-NE2 2.91Å; V104-Q398 HydrophobicContact CG2-CG 4.03Å; A394-Q398 WeakPolarHBondContact O-CB 3.47Å; A394-Q398 WeakPolarHBondContact O-CG 3.38Å; A394-Q398 PolarHBondContact O-N 3.36Å; I396-Q398 PolarHBondContact O-N 2.97Å; Q398-L401 CarbonylContact O-C 3.53Å; Q398-L401 WeakPolarHBondContact O-CA 3.48Å; Q398-L401 PolarHBondContact O-N 3.45Å; Q398-G402 PolarHBondContact O-N 3.44Å; Q398-N403 PolarHBondContact O-N 2.88Å
399S53.3Low52Low30 Ų3056.2 Ų56.221%0.2132%0.322CS..Hα-helixtrans-73.8-28.9-176.268.60000112.7K247 G395 I396 L401 G402K247-S399 PolarHBondContact NZ-O 2.96Å; K247-S399 VanDerWaalsContact NZ-O 3.16Å; K247-S399 PolarHBondContact NZ-OG 2.94Å; G395-S399 WeakPolarHBondContact O-CB 3.31Å; G395-S399 PolarHBondContact O-N 3Å; G395-S399 PolarHBondContact O-OG 3.08Å; I396-S399 WeakPolarHBondContact CA-OG 3.44Å; I396-S399 PolarHBondContact O-N 3.48Å; I396-S399 PolarHBondContact O-OG 3.08Å; S399-L401 PolarHBondContact O-N 3.45Å; S399-G402 PolarHBondContact O-N 3.4Å
400N54.2Low49.7Very low4 Ų464.2 Ų64.22%0.02136%0.359CS..THydrogen-bonded Turntrans-75.4-4.2169-67.1-3.1000112.1K247 F288 I396K247-N400 PolarHBondContact NZ-OD1 3.06Å; F288-N400 HydrophobicContact CB-CB 4.17Å; F288-N400 WeakPolarHBondContact CB-OD1 3.49Å; F288-N400 HydrophobicContact CD1-CB 4.4Å; F288-N400 HydrophobicContact CD2-CB 3.67Å; F288-N400 VanDerWaalsContact CD2-O 3.26Å; F288-N400 WeakPolarHBondContact CD2-O 3.43Å; F288-N400 VanDerWaalsContact CE2-C 3.43Å; F288-N400 HydrophobicContact CE2-CB 4.19Å; F288-N400 WeakPolarHBondContact CE2-O 3.43Å; F288-N400 HydrophobicContact CG-CB 3.8Å; F288-N400 WeakPolarHBondContact CG-OD1 3.26Å; F288-N400 WeakPolarHBondContact CZ-O 3.45Å; I396-N400 WeakPolarHBondContact CG2-ND2 3.27Å; I396-N400 WeakPolarHBondContact O-CB 3.43Å; I396-N400 PolarHBondContact O-N 3.07Å; I396-N400 PolarHBondContact O-OD1 3.07Å
401L56.4Low48.7Very low10 Ų1063.1 Ų63.15%0.05236%0.357CS..THydrogen-bonded Turntrans-114.3-3.7171.7-61.4169.6000111.1R209 L210 F397 Q398 S399 N403R209-L401 HydrophobicContact CB-CB 4.18Å; R209-L401 HydrophobicContact CB-CD2 3.75Å; R209-L401 HydrophobicContact CB-CG 4.4Å; R209-L401 WeakPolarHBondContact CD-O 3.29Å; R209-L401 PolarHBondContact NE-O 3.27Å; R209-L401 PolarHBondContact NH1-O 3.19Å; L210-L401 HydrophobicContact CB-CD1 3.73Å; L210-L401 HydrophobicContact CD1-CD1 4.29Å; F397-L401 WeakPolarHBondContact O-CB 3.3Å; F397-L401 VanDerWaalsContact O-CD1 3.24Å; F397-L401 WeakPolarHBondContact O-CD1 3.38Å; F397-L401 WeakPolarHBondContact O-CG 3.37Å; F397-L401 PolarHBondContact O-N 2.94Å; Q398-L401 CarbonylContact O-C 3.53Å; Q398-L401 WeakPolarHBondContact O-CA 3.48Å; Q398-L401 PolarHBondContact O-N 3.45Å; S399-L401 PolarHBondContact O-N 3.45Å; L401-N403 VanDerWaalsContact C-N 3.3Å; L401-N403 PolarHBondContact O-N 2.99Å
402G45.5Very low48.2Very low60 Ų6067.8 Ų67.862%0.61938%0.379SS*.THydrogen-bonded Turntrans68.323.8-177.500000114.6Q398 S399Q398-G402 PolarHBondContact O-N 3.44Å; S399-G402 PolarHBondContact O-N 3.4Å
403N43.2Very low48.2Very low65 Ų6571.7 Ų71.735%0.34841%0.413SS..  trans-91.4144.6177.6-76.8-3.5000111.7Q398 L401Q398-N403 PolarHBondContact O-N 2.88Å; L401-N403 VanDerWaalsContact C-N 3.3Å; L401-N403 PolarHBondContact O-N 2.99Å
404E38.3Very low49.7Very low177 Ų17771.5 Ų71.583%0.82741%0.41SS*.  trans-73.7147.7170.4-67.6-174.6169.400111.6Q406E404-Q406 PolarHBondContact O-N 3.47Å
405T41.3Very low51.7Low122 Ų12276.4 Ų76.475%0.74843%0.428SS*.  trans-65.4114.6-173.1-32.60000112
406Q36.9Very low53.6Low137 Ų13782.8 Ų82.864%0.6445%0.453SS*.PPolyproline II helixtrans-93.6155.5176-68-1695.700113.7E404E404-Q406 PolarHBondContact O-N 3.47Å
407T35.1Very low55.4Low143 Ų14384.9 Ų84.988%0.87747%0.471SS*.PPolyproline II helixtrans-67.8144.1-176.927.10000114.6
408R42.2Very low57.3Low168 Ų16884.6 Ų84.663%0.63447%0.469SS*.PPolyproline II helixtrans-82.3148.6-170-52.9179.3-177.7163.13.4114.7Q101 V391Q101-R408 WeakPolarHBondContact O-CA 3.41Å; Q101-R408 VanDerWaalsContact O-CB 3.27Å; Q101-R408 WeakPolarHBondContact O-CB 3.38Å; Q101-R408 WeakPolarHBondContact O-CG 3.48Å; V391-R408 VanDerWaalsContact CG1-NH2 3.29Å
409S38.4Very low59.2Low89 Ų8985.9 Ų85.962%0.62248%0.475SS*.  trans-138.1144.2172.2151.40000110.6Q101Q101-S409 WeakPolarHBondContact CB-O 3.27Å; Q101-S409 VanDerWaalsContact CG-O 3.24Å; Q101-S409 WeakPolarHBondContact CG-O 3.38Å
410H40.6Very low61.3Low171 Ų17192.4 Ų92.479%0.79250%0.503SS*.  trans-86.9125.9-178.8-72.8-31.9000112.7
411G43.4Very low63.4Low25 Ų2593 Ų9326%0.25851%0.508SS..  trans-126.2109.7172.700000111.8S414G411-S414 PolarHBondContact O-OG 3.29Å; G411-S414 VanDerWaalsContact O-OG 3.09Å
412N49.5Very low65.4Low157 Ų15792.5 Ų92.584%0.8451%0.506SS*.SBendtrans-93.4-21.3175.1-79.5-10.8000113.3S414N412-S414 PolarHBondContact O-N 3.28Å; N412-S414 VanDerWaalsContact O-N 3.11Å
413A58.3Low67.9Low91 Ų9192.2 Ų92.275%0.75250%0.502SS*.THydrogen-bonded Turntrans-72.5-0.9-177.600000113.9
414S85.5Confident70.5Confident4 Ų491 Ų913%0.02850%0.499CS..Hα-helixtrans-92.5-20.9-168.351.50000114.2Y96 D98 H107 G411 N412 F418Y96-S414 WeakPolarHBondContact OH-CB 3.47Å; Y96-S414 PolarHBondContact OH-O 2.73Å; Y96-S414 PolarHBondContact OH-OG 2.84Å; D98-S414 WeakPolarHBondContact OD2-CB 3.4Å; D98-S414 PolarHBondContact OD2-OG 2.98Å; H107-S414 PolarHBondContact ND1-O 3.35Å; G411-S414 PolarHBondContact O-OG 3.29Å; G411-S414 VanDerWaalsContact O-OG 3.09Å; N412-S414 PolarHBondContact O-N 3.28Å; N412-S414 VanDerWaalsContact O-N 3.11Å; S414-F418 WeakPolarHBondContact O-CB 3.42Å; S414-F418 PolarHBondContact O-N 2.88Å
415R94.2Very high73.4Confident106 Ų10686.8 Ų86.840%0.449%0.487SS..Hα-helixtrans-73.3-48.2178.7-175.9175.7175.3164.31.5112.9Y96 A417 F418 E419Y96-R415 HydrophobicContact CD1-CB 3.82Å; Y96-R415 HydrophobicContact CD1-CG 3.97Å; Y96-R415 HydrophobicContact CD2-CG 4.4Å; Y96-R415 HydrophobicContact CE1-CB 3.78Å; Y96-R415 HydrophobicContact CE1-CG 4.4Å; Y96-R415 HydrophobicContact CG-CB 4.25Å; Y96-R415 HydrophobicContact CG-CG 3.97Å; R415-A417 VanDerWaalsContact C-N 3.3Å; R415-A417 PolarHBondContact O-N 3.25Å; R415-F418 WeakPolarHBondContact O-CB 3.49Å; R415-F418 PolarHBondContact O-N 3.25Å; R415-F418 VanDerWaalsContact O-N 3.08Å; R415-E419 HydrophobicContact CG-CG 4.33Å; R415-E419 IonicContact CZ-OE1 3.42Å; R415-E419 IonicContact NE-OE1 3.6Å; R415-E419 PolarHBondContact NE-OE1 3.36Å; R415-E419 IonicContact NH2-OE1 2.7Å; R415-E419 PolarHBondContact NH2-OE1 3.19Å; R415-E419 VanDerWaalsContact NH2-OE1 3.15Å; R415-E419 PolarHBondContact O-N 3.03Å
416E95.7Very high76.1Confident155 Ų15581.4 Ų81.472%0.72445%0.453SS*.Hα-helixtrans-59.1-43.2179-68.5-179.9-179.500111.3F418 E419 Q420E416-F418 VanDerWaalsContact C-N 3.32Å; E416-F418 PolarHBondContact O-N 3.12Å; E416-E419 PolarHBondContact O-N 3.16Å; E416-Q420 WeakPolarHBondContact O-CB 3.37Å; E416-Q420 PolarHBondContact O-N 3.46Å
417A95.9Very high79Confident49 Ų4978 Ų7841%0.40544%0.439SS..Hα-helixtrans-61.8-38.8175.300000112.3R415 A421R415-A417 VanDerWaalsContact C-N 3.3Å; R415-A417 PolarHBondContact O-N 3.25Å; A417-A421 WeakPolarHBondContact O-CB 3.27Å; A417-A421 PolarHBondContact O-N 3.13Å
418F97.4Very high82Confident0 Ų074.6 Ų74.60%042%0.416CS..Hα-helixtrans-66.4-48.4175.8-173.8-96000112.1L79 Y96 H107 T109 L130 S414 R415 E416 Q420 A421 L422 V426L79-F418 HydrophobicContact CD1-CZ 4.44Å; L79-F418 HydrophobicContact CD2-CD2 4.19Å; L79-F418 HydrophobicContact CD2-CE1 4.48Å; L79-F418 HydrophobicContact CD2-CE2 3.66Å; L79-F418 HydrophobicContact CD2-CZ 3.83Å; Y96-F418 HydrophobicContact CD2-CB 4.16Å; Y96-F418 AromaticContact CD2-CD1 3.91Å; Y96-F418 HydrophobicContact CD2-CD1 3.91Å; Y96-F418 HydrophobicContact CD2-CG 4Å; Y96-F418 HydrophobicContact CE2-CB 3.67Å; Y96-F418 HydrophobicContact CE2-CD1 4.18Å; Y96-F418 HydrophobicContact CE2-CD2 4.29Å; Y96-F418 AromaticContact CE2-CG 3.78Å; Y96-F418 HydrophobicContact CE2-CG 3.78Å; H107-F418 HydrophobicContact CB-CD2 4.38Å; H107-F418 AromaticContact CD2-CD2 3.54Å; H107-F418 AromaticContact CE1-CD2 3.77Å; H107-F418 AromaticContact CG-CD2 3.63Å; H107-F418 AromaticContact ND1-CD2 3.78Å; H107-F418 AromaticContact NE2-CD2 3.64Å; T109-F418 HydrophobicContact CG2-CE1 3.8Å; T109-F418 HydrophobicContact CG2-CZ 3.63Å; L130-F418 HydrophobicContact CB-CD2 4.49Å; L130-F418 HydrophobicContact CB-CE2 4.15Å; S414-F418 WeakPolarHBondContact O-CB 3.42Å; S414-F418 PolarHBondContact O-N 2.88Å; R415-F418 WeakPolarHBondContact O-CB 3.49Å; R415-F418 PolarHBondContact O-N 3.25Å; R415-F418 VanDerWaalsContact O-N 3.08Å; E416-F418 VanDerWaalsContact C-N 3.32Å; E416-F418 PolarHBondContact O-N 3.12Å; F418-Q420 VanDerWaalsContact C-N 3.29Å; F418-Q420 PolarHBondContact O-N 3.05Å; F418-A421 WeakPolarHBondContact O-CB 3.32Å; F418-A421 PolarHBondContact O-N 2.92Å; F418-A421 VanDerWaalsContact O-N 3.14Å; F418-L422 HydrophobicContact CE1-CD2 4.02Å; F418-L422 VanDerWaalsContact O-CB 3.27Å; F418-L422 WeakPolarHBondContact O-CB 3.28Å; F418-L422 PolarHBondContact O-N 2.69Å; F418-V426 HydrophobicContact CD1-CG1 4.15Å; F418-V426 HydrophobicContact CE1-CG1 3.91Å
419E98.2Very high84.7Confident40 Ų4067.5 Ų67.519%0.18739%0.39CS..Hα-helixtrans-65-34.5179.6-69.1-177.4165.700111.5R415 E416 L422 G423 C424 V426R415-E419 HydrophobicContact CG-CG 4.33Å; R415-E419 IonicContact CZ-OE1 3.42Å; R415-E419 IonicContact NE-OE1 3.6Å; R415-E419 PolarHBondContact NE-OE1 3.36Å; R415-E419 IonicContact NH2-OE1 2.7Å; R415-E419 PolarHBondContact NH2-OE1 3.19Å; R415-E419 VanDerWaalsContact NH2-OE1 3.15Å; R415-E419 PolarHBondContact O-N 3.03Å; E416-E419 PolarHBondContact O-N 3.16Å; E419-L422 PolarHBondContact O-N 3.34Å; E419-G423 PolarHBondContact O-N 3.29Å; E419-C424 PolarHBondContact O-N 3.47Å; E419-V426 HydrophobicContact CG-CG1 4.43Å; E419-V426 PolarHBondContact OE1-N 3.35Å; E419-V426 VanDerWaalsContact OE1-N 3.14Å
420Q97.7Very high87.5Confident167 Ų16765.4 Ų65.478%0.7837%0.37SS*.Hα-helixtrans-63.7-44.8170.7-176.2-179.1-6.600111.8E416 F418 L422 G423E416-Q420 WeakPolarHBondContact O-CB 3.37Å; E416-Q420 PolarHBondContact O-N 3.46Å; F418-Q420 VanDerWaalsContact C-N 3.29Å; F418-Q420 PolarHBondContact O-N 3.05Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-G423 PolarHBondContact O-N 3.36Å
421A98Very high90.3Very high17 Ų1762.3 Ų62.314%0.1436%0.356CS..Hα-helixtrans-65.8-3717700000112.3A76 L79 L130 A417 F418A76-A421 HydrophobicContact CB-CB 3.6Å; L79-A421 HydrophobicContact CD2-CB 4.35Å; L130-A421 HydrophobicContact CD2-CB 3.79Å; A417-A421 WeakPolarHBondContact O-CB 3.27Å; A417-A421 PolarHBondContact O-N 3.13Å; F418-A421 WeakPolarHBondContact O-CB 3.32Å; F418-A421 PolarHBondContact O-N 2.92Å; F418-A421 VanDerWaalsContact O-N 3.14Å
422L98.4Very high92.9Very high0 Ų062.3 Ų62.30%035%0.35CS..Hα-helixtrans-70.2-36176.9-176.662.7000111.9L79 R83 P93 F111 F418 E419 Q420 V426L79-L422 HydrophobicContact CD1-CD1 4.06Å; L79-L422 HydrophobicContact CD2-CB 4.07Å; L79-L422 HydrophobicContact CD2-CD1 4.21Å; L79-L422 HydrophobicContact CG-CB 4.46Å; L79-L422 HydrophobicContact CG-CD1 3.84Å; R83-L422 HydrophobicContact CB-CD1 3.92Å; R83-L422 HydrophobicContact CG-CD1 4.34Å; R83-L422 PolarHBondContact NE-O 3.3Å; R83-L422 PolarHBondContact NH2-O 3.29Å; P93-L422 HydrophobicContact CB-CD1 4.49Å; P93-L422 HydrophobicContact CB-CD2 3.69Å; P93-L422 HydrophobicContact CG-CD2 3.81Å; F111-L422 HydrophobicContact CE1-CD1 4.29Å; F111-L422 HydrophobicContact CZ-CD1 3.72Å; F418-L422 HydrophobicContact CE1-CD2 4.02Å; F418-L422 VanDerWaalsContact O-CB 3.27Å; F418-L422 WeakPolarHBondContact O-CB 3.28Å; F418-L422 PolarHBondContact O-N 2.69Å; E419-L422 PolarHBondContact O-N 3.34Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; L422-V426 HydrophobicContact CD2-CG1 3.73Å
423G98.5Very high95.2Very high53 Ų5355.3 Ų55.355%0.54631%0.311SS..THydrogen-bonded Turntrans907.7-178.200000114.7E419 Q420E419-G423 PolarHBondContact O-N 3.29Å; Q420-G423 PolarHBondContact O-N 3.36Å
424C98.3Very high97.1Very high40 Ų4055 Ų5527%0.2729%0.294SS..SBendtrans-157.6160.5172.471.20000109.8R83 E419R83-C424 WeakPolarHBondContact CD-SG 3.46Å; E419-C424 PolarHBondContact O-N 3.47Å
425P98.3Very high97.7Very high89 Ų8958.2 Ų58.258%0.57831%0.309SS*.PPolyproline II helixtrans-64151.3169.928.5-35.3000111
426V98.2Very high97.9Very high8 Ų853.6 Ų53.65%0.04829%0.293CS..PPolyproline II helixtrans-79.4145.9167.6-57.40000109.7P93 F418 E419 L422P93-V426 HydrophobicContact CB-CG1 4.26Å; F418-V426 HydrophobicContact CD1-CG1 4.15Å; F418-V426 HydrophobicContact CE1-CG1 3.91Å; E419-V426 HydrophobicContact CG-CG1 4.43Å; E419-V426 PolarHBondContact OE1-N 3.35Å; E419-V426 VanDerWaalsContact OE1-N 3.14Å; L422-V426 HydrophobicContact CD2-CG1 3.73Å
427L98.4Very high98Very high65 Ų6547.1 Ų47.134%0.3426%0.263SS..BIsolated β-bridgetrans-71.5145.4175.5-61.9174000110.7P93 V94 S95 I114 L432P93-L427 PolarHBondContact O-N 3.2Å; V94-L427 HydrophobicContact CG1-CB 4.44Å; V94-L427 HydrophobicContact CG2-CB 4.28Å; V94-L427 HydrophobicContact CG2-CD1 4.28Å; S95-L427 PolarHBondContact N-O 2.83Å; I114-L427 HydrophobicContact CD1-CD1 3.94Å; I114-L427 HydrophobicContact CG2-CD1 4.05Å; L427-L432 HydrophobicContact CB-CD1 4.17Å; L427-L432 HydrophobicContact CD1-CD1 4.35Å
428D97.8Very high98.1Very high73 Ų7347.8 Ų47.839%0.3926%0.258SS..PPolyproline II helixtrans-82.1117172.4-177.7-15.4000109.8F430 Q431 L432D428-F430 VanDerWaalsContact C-N 3.28Å; D428-F430 PolarHBondContact O-N 3.03Å; D428-F430 WeakPolarHBondContact OD1-CB 3.29Å; D428-F430 WeakPolarHBondContact OD1-CD2 3.36Å; D428-F430 PolarHBondContact OD1-N 3.1Å; D428-Q431 HydrophobicContact CB-CB 4.07Å; D428-Q431 PolarHBondContact O-N 2.98Å; D428-L432 WeakPolarHBondContact O-CG 3.44Å; D428-L432 PolarHBondContact O-N 2.95Å
429E97.7Very high98.1Very high18 Ų1851.3 Ų51.38%0.08427%0.271CS..Hα-helixtrans-61.5-35179.869.2-83.8-161.800113.1V94 S95 D387 Q431 L432 Y433V94-E429 HydrophobicContact CG1-CB 3.84Å; S95-E429 WeakPolarHBondContact CB-OE2 3.49Å; S95-E429 PolarHBondContact OG-OE1 2.81Å; S95-E429 PolarHBondContact OG-OE2 2.81Å; D387-E429 VanDerWaalsContact OD2-CB 3.28Å; D387-E429 WeakPolarHBondContact OD2-CB 3.31Å; E429-Q431 VanDerWaalsContact C-N 3.33Å; E429-Q431 PolarHBondContact O-N 3.41Å; E429-L432 PolarHBondContact O-N 2.73Å; E429-Y433 HydrophobicContact CB-CD2 4.41Å; E429-Y433 HydrophobicContact CB-CE2 3.98Å; E429-Y433 HydrophobicContact CG-CE2 4.26Å; E429-Y433 WeakPolarHBondContact O-CD2 3.48Å; E429-Y433 PolarHBondContact O-N 2.97Å
430F97.7Very high98Very high46 Ų4649.4 Ų49.420%0.20226%0.262CS..Hα-helixtrans-66.5-39.9-179.9-63.9-66.8000111.1L298 P300 R303 D428 L432 Y433 Q434L298-F430 WeakPolarHBondContact O-CE1 3.39Å; P300-F430 HydrophobicContact CG-CB 4.35Å; P300-F430 HydrophobicContact CG-CD1 3.95Å; P300-F430 HydrophobicContact CG-CD2 4.39Å; P300-F430 HydrophobicContact CG-CE1 4.34Å; P300-F430 HydrophobicContact CG-CG 3.98Å; R303-F430 HydrophobicContact CB-CE1 4.37Å; R303-F430 HydrophobicContact CB-CZ 4.23Å; R303-F430 HydrophobicContact CG-CE1 3.56Å; R303-F430 HydrophobicContact CG-CZ 3.67Å; D428-F430 VanDerWaalsContact C-N 3.28Å; D428-F430 PolarHBondContact O-N 3.03Å; D428-F430 WeakPolarHBondContact OD1-CB 3.29Å; D428-F430 WeakPolarHBondContact OD1-CD2 3.36Å; D428-F430 PolarHBondContact OD1-N 3.1Å; F430-L432 VanDerWaalsContact C-N 3.33Å; F430-Y433 PolarHBondContact O-N 3.27Å; F430-Q434 WeakPolarHBondContact O-CB 3.31Å; F430-Q434 PolarHBondContact O-N 2.97Å
431Q98.4Very high98Very high106 Ų10643.5 Ų43.550%0.49523%0.234SC..Hα-helixtrans-62.1-43.9174.9-173.7-177.9-2100110.5D428 E429 Y433 Q434 E435D428-Q431 HydrophobicContact CB-CB 4.07Å; D428-Q431 PolarHBondContact O-N 2.98Å; E429-Q431 VanDerWaalsContact C-N 3.33Å; E429-Q431 PolarHBondContact O-N 3.41Å; Q431-Y433 PolarHBondContact O-N 2.99Å; Q431-Q434 PolarHBondContact O-N 2.94Å; Q431-E435 HydrophobicContact CG-CG 4.41Å; Q431-E435 WeakPolarHBondContact CG-OE1 3.37Å; Q431-E435 PolarHBondContact NE2-OE1 2.79Å; Q431-E435 WeakPolarHBondContact O-CB 3.29Å; Q431-E435 VanDerWaalsContact O-CG 3.29Å; Q431-E435 WeakPolarHBondContact O-CG 3.37Å; Q431-E435 PolarHBondContact O-N 2.93Å
432L98.6Very high97.9Very high25 Ų2549.2 Ų49.213%0.13125%0.252CS..Hα-helixtrans-61.5-43.4177.7-65.8175.9000112.4V94 I114 L427 D428 E429 F430 E435 A436V94-L432 HydrophobicContact CG1-CD1 3.81Å; V94-L432 HydrophobicContact CG2-CD1 3.96Å; I114-L432 HydrophobicContact CB-CD1 4.19Å; I114-L432 HydrophobicContact CB-CD2 4.23Å; I114-L432 HydrophobicContact CD1-CD2 4.39Å; I114-L432 HydrophobicContact CG2-CD1 3.67Å; I114-L432 HydrophobicContact CG2-CD2 4.45Å; L427-L432 HydrophobicContact CB-CD1 4.17Å; L427-L432 HydrophobicContact CD1-CD1 4.35Å; D428-L432 WeakPolarHBondContact O-CG 3.44Å; D428-L432 PolarHBondContact O-N 2.95Å; E429-L432 PolarHBondContact O-N 2.73Å; F430-L432 VanDerWaalsContact C-N 3.33Å; L432-E435 PolarHBondContact O-N 3.33Å; L432-A436 WeakPolarHBondContact O-CB 3.41Å; L432-A436 PolarHBondContact O-N 3.18Å
433Y98.6Very high97.7Very high9 Ų954.8 Ų54.84%0.03527%0.273CS..Hα-helixtrans-67.4-38.9176.6-66.9-57.6000112.6A297 W347 I383 Y385 E386 D387 E429 F430 Q431 A436 E437A297-Y433 HydrophobicContact CB-CD1 3.64Å; A297-Y433 HydrophobicContact CB-CD2 3.9Å; A297-Y433 HydrophobicContact CB-CE1 3.53Å; A297-Y433 HydrophobicContact CB-CE2 3.83Å; A297-Y433 HydrophobicContact CB-CG 3.84Å; W347-Y433 AromaticContact CD1-CG 3.91Å; I383-Y433 HydrophobicContact CG2-CD1 3.82Å; I383-Y433 HydrophobicContact CG2-CE1 4.14Å; Y385-Y433 HydrophobicContact CD2-CE2 4.22Å; Y385-Y433 HydrophobicContact CE2-CE2 4.38Å; E386-Y433 HydrophobicContact CG-CE1 4.45Å; E386-Y433 PolarHBondContact N-OH 3.3Å; D387-Y433 VanDerWaalsContact OD2-CE2 3.28Å; D387-Y433 WeakPolarHBondContact OD2-CE2 3.38Å; D387-Y433 VanDerWaalsContact OD2-CZ 3.25Å; D387-Y433 PolarHBondContact OD2-OH 3.07Å; E429-Y433 HydrophobicContact CB-CD2 4.41Å; E429-Y433 HydrophobicContact CB-CE2 3.98Å; E429-Y433 HydrophobicContact CG-CE2 4.26Å; E429-Y433 WeakPolarHBondContact O-CD2 3.48Å; E429-Y433 PolarHBondContact O-N 2.97Å; F430-Y433 PolarHBondContact O-N 3.27Å; Q431-Y433 PolarHBondContact O-N 2.99Å; Y433-A436 PolarHBondContact O-N 3.44Å; Y433-E437 PolarHBondContact O-N 3.08Å
434Q98.5Very high97.6Very high84 Ų8452.4 Ų52.439%0.39325%0.248SC..Hα-helixtrans-60.5-49.4173.8-177.8178-20.900110.8W347 F430 Q431 A436 E437 E438W347-Q434 HydrophobicContact CH2-CB 3.48Å; W347-Q434 VanDerWaalsContact CH2-CB 3.48Å; W347-Q434 HydrophobicContact CH2-CG 3.72Å; W347-Q434 HydrophobicContact CZ2-CB 3.88Å; W347-Q434 HydrophobicContact CZ3-CB 3.92Å; W347-Q434 HydrophobicContact CZ3-CG 4.01Å; F430-Q434 WeakPolarHBondContact O-CB 3.31Å; F430-Q434 PolarHBondContact O-N 2.97Å; Q431-Q434 PolarHBondContact O-N 2.94Å; Q434-A436 VanDerWaalsContact C-N 3.29Å; Q434-A436 PolarHBondContact O-N 3.39Å; Q434-E437 PolarHBondContact O-N 2.86Å; Q434-E438 HydrophobicContact CG-CG 4.3Å; Q434-E438 WeakPolarHBondContact CG-OE1 3.31Å; Q434-E438 PolarHBondContact NE2-OE1 2.59Å; Q434-E438 WeakPolarHBondContact O-CB 3.34Å; Q434-E438 WeakPolarHBondContact O-CG 3.46Å; Q434-E438 PolarHBondContact O-N 2.89Å
435E98.3Very high97.4Very high73 Ų7351.6 Ų51.634%0.34125%0.246SC..Hα-helixtrans-59.9-38.8178.1-74.4174.7-17300111.9Q431 L432 E438 R439Q431-E435 HydrophobicContact CG-CG 4.41Å; Q431-E435 WeakPolarHBondContact CG-OE1 3.37Å; Q431-E435 PolarHBondContact NE2-OE1 2.79Å; Q431-E435 WeakPolarHBondContact O-CB 3.29Å; Q431-E435 VanDerWaalsContact O-CG 3.29Å; Q431-E435 WeakPolarHBondContact O-CG 3.37Å; Q431-E435 PolarHBondContact O-N 2.93Å; L432-E435 PolarHBondContact O-N 3.33Å; E435-E438 PolarHBondContact O-N 3.34Å; E435-R439 WeakPolarHBondContact O-CB 3.34Å; E435-R439 PolarHBondContact O-N 3.38Å
436A98Very high97.1Very high8 Ų847.6 Ų47.67%0.06622%0.22CC..Hα-helixtrans-65.2-44.4175.400000112.3I383 L432 Y433 Q434 S440I383-A436 HydrophobicContact CD1-CB 4.08Å; L432-A436 WeakPolarHBondContact O-CB 3.41Å; L432-A436 PolarHBondContact O-N 3.18Å; Y433-A436 PolarHBondContact O-N 3.44Å; Q434-A436 VanDerWaalsContact C-N 3.29Å; Q434-A436 PolarHBondContact O-N 3.39Å; A436-S440 WeakPolarHBondContact O-CB 3.41Å; A436-S440 PolarHBondContact O-N 3.3Å; A436-S440 VanDerWaalsContact O-N 3.09Å
437E98.1Very high96.7Very high20 Ų2052.5 Ų52.59%0.09325%0.245CC..Hα-helixtrans-61.7-48.7173.6172.9168.3-73.200110.9W347 F348 Y350 I383 Y433 Q434 R439 S440 K441W347-E437 HydrophobicContact CE3-CB 4.01Å; W347-E437 HydrophobicContact CE3-CG 4.41Å; F348-E437 PolarHBondContact N-OE1 3.12Å; F348-E437 WeakPolarHBondContact O-CB 3.18Å; F348-E437 WeakPolarHBondContact O-CG 3.48Å; Y350-E437 HydrophobicContact CD2-CG 4.29Å; Y350-E437 HydrophobicContact CE2-CG 3.92Å; I383-E437 HydrophobicContact CD1-CB 4.22Å; Y433-E437 PolarHBondContact O-N 3.08Å; Q434-E437 PolarHBondContact O-N 2.86Å; E437-R439 PolarHBondContact O-N 3.47Å; E437-S440 WeakPolarHBondContact O-CB 3.29Å; E437-S440 PolarHBondContact O-N 2.85Å; E437-S440 VanDerWaalsContact O-N 3.11Å; E437-S440 PolarHBondContact O-OG 3.17Å; E437-K441 HydrophobicContact CG-CD 4.18Å; E437-K441 PolarHBondContact O-N 3.05Å; E437-K441 IonicContact OE2-NZ 3.7Å; E437-K441 PolarHBondContact OE2-NZ 3Å
438E97.6Very high96.7Very high63 Ų6351.9 Ų51.929%0.29424%0.241SC..Hα-helixtrans-62.7-42.3-179.8-72.8-179.1-176.900112.3Q434 E435 S440 K441 R442 L447Q434-E438 HydrophobicContact CG-CG 4.3Å; Q434-E438 WeakPolarHBondContact CG-OE1 3.31Å; Q434-E438 PolarHBondContact NE2-OE1 2.59Å; Q434-E438 WeakPolarHBondContact O-CB 3.34Å; Q434-E438 WeakPolarHBondContact O-CG 3.46Å; Q434-E438 PolarHBondContact O-N 2.89Å; E435-E438 PolarHBondContact O-N 3.34Å; E438-S440 PolarHBondContact O-N 3.23Å; E438-K441 PolarHBondContact O-N 2.83Å; E438-R442 WeakPolarHBondContact O-CB 3.36Å; E438-R442 PolarHBondContact O-N 3.38Å; E438-L447 HydrophobicContact CB-CD1 3.83Å; E438-L447 HydrophobicContact CG-CD1 3.78Å
439R97.2Very high96.6Very high73 Ų7350.8 Ų50.828%0.27523%0.233SC..Hα-helixtrans-58.2-40.1174.2-169-168.3-59.7133.70.2110.8D116 E435 E437 R443D116-R439 IonicContact OD1-NH1 3.29Å; D116-R439 IonicContact OD2-CZ 3.92Å; D116-R439 IonicContact OD2-NH1 3.64Å; D116-R439 PolarHBondContact OD2-NH1 3.37Å; E435-R439 WeakPolarHBondContact O-CB 3.34Å; E435-R439 PolarHBondContact O-N 3.38Å; E437-R439 PolarHBondContact O-N 3.47Å; R439-R443 WeakPolarHBondContact O-CG 3.41Å; R439-R443 PolarHBondContact O-N 3.28Å
440S96.5Very high96.5Very high0 Ų052.6 Ų52.60%024%0.241CC..Hα-helixtrans-68.8-41.5177.582.80000113.1Y350 A436 E437 E438 R443 C444Y350-S440 PolarHBondContact N-OG 2.76Å; Y350-S440 WeakPolarHBondContact O-CB 3.24Å; A436-S440 WeakPolarHBondContact O-CB 3.41Å; A436-S440 PolarHBondContact O-N 3.3Å; A436-S440 VanDerWaalsContact O-N 3.09Å; E437-S440 WeakPolarHBondContact O-CB 3.29Å; E437-S440 PolarHBondContact O-N 2.85Å; E437-S440 VanDerWaalsContact O-N 3.11Å; E437-S440 PolarHBondContact O-OG 3.17Å; E438-S440 PolarHBondContact O-N 3.23Å; S440-R443 PolarHBondContact O-N 2.77Å; S440-C444 PolarHBondContact O-N 3.3Å; S440-C444 PolarHBondContact O-SG 2.99Å
441K96.8Very high96.5Very high44 Ų4453 Ų5319%0.19124%0.243CC..Hα-helixtrans-61.9-43.9173.5-78.2175.3172.7165.10111.9Y350 E437 E438 R443 C444 G445 L446 L447Y350-K441 HydrophobicContact CD2-CD 4.33Å; Y350-K441 HydrophobicContact CD2-CG 3.61Å; Y350-K441 HydrophobicContact CE2-CD 4.31Å; Y350-K441 HydrophobicContact CE2-CG 4.08Å; Y350-K441 HydrophobicContact CG-CG 4.11Å; E437-K441 HydrophobicContact CG-CD 4.18Å; E437-K441 PolarHBondContact O-N 3.05Å; E437-K441 IonicContact OE2-NZ 3.7Å; E437-K441 PolarHBondContact OE2-NZ 3Å; E438-K441 PolarHBondContact O-N 2.83Å; K441-R443 VanDerWaalsContact C-N 3.34Å; K441-R443 PolarHBondContact O-N 3.28Å; K441-C444 CarbonylContact O-C 3.49Å; K441-C444 WeakPolarHBondContact O-CA 3.47Å; K441-C444 WeakPolarHBondContact O-CB 3.48Å; K441-C444 PolarHBondContact O-N 3.35Å; K441-G445 PolarHBondContact O-N 2.98Å; K441-G445 VanDerWaalsContact O-N 3.1Å; K441-L446 HydrophobicContact CB-CB 3.99Å; K441-L446 HydrophobicContact CG-CB 4.34Å; K441-L446 HydrophobicContact CG-CD1 4.24Å; K441-L446 PolarHBondContact O-N 3.05Å; K441-L447 HydrophobicContact CB-CB 4.29Å; K441-L447 HydrophobicContact CB-CD1 3.67Å; K441-L447 HydrophobicContact CB-CG 3.81Å; K441-L447 HydrophobicContact CD-CD1 3.84Å; K441-L447 HydrophobicContact CD-CG 4.2Å; K441-L447 HydrophobicContact CG-CD1 4.4Å
442R96.6Very high96.4Very high137 Ų13749.7 Ų49.752%0.51723%0.228SC..Hα-helixtrans-60-41.1176.8-165.8-179.8-58.8113.66.6112.3E438 C444 G445E438-R442 WeakPolarHBondContact O-CB 3.36Å; E438-R442 PolarHBondContact O-N 3.38Å; R442-C444 PolarHBondContact O-N 3.4Å; R442-G445 PolarHBondContact O-N 3.07Å
443R94.2Very high96.2Very high117 Ų11751.3 Ų51.344%0.44223%0.234SC..Hα-helixtrans-62.3-26.7173.7-71.3-175.1-61.6-1111.9113.1D116 R360 R439 S440 K441D116-R443 IonicContact OD2-NH1 3.34Å; D116-R443 IonicContact OD2-NH2 3.09Å; R360-R443 PolarHBondContact NH2-O 3.42Å; R439-R443 WeakPolarHBondContact O-CG 3.41Å; R439-R443 PolarHBondContact O-N 3.28Å; S440-R443 PolarHBondContact O-N 2.77Å; K441-R443 VanDerWaalsContact C-N 3.34Å; K441-R443 PolarHBondContact O-N 3.28Å
444C95.3Very high96Very high2 Ų254.4 Ų54.41%0.01425%0.248CC..THydrogen-bonded Turntrans-87.7-7.5174.8-58.30000113.7Y350 R351 L352 I363 S440 K441 R442 L446Y350-C444 VanDerWaalsContact C-SG 3.55Å; Y350-C444 PolarHBondContact O-SG 2.9Å; R351-C444 VanDerWaalsContact C-SG 3.51Å; R351-C444 WeakPolarHBondContact CA-SG 3.39Å; L352-C444 HydrophobicContact CD2-CB 4.13Å; L352-C444 HydrophobicContact CG-CB 4.19Å; I363-C444 WeakPolarHBondContact CG2-O 3.18Å; S440-C444 PolarHBondContact O-N 3.3Å; S440-C444 PolarHBondContact O-SG 2.99Å; K441-C444 CarbonylContact O-C 3.49Å; K441-C444 WeakPolarHBondContact O-CA 3.47Å; K441-C444 WeakPolarHBondContact O-CB 3.48Å; K441-C444 PolarHBondContact O-N 3.35Å; R442-C444 PolarHBondContact O-N 3.4Å; C444-L446 HydrophobicContact CB-CD1 3.97Å; C444-L446 HydrophobicContact CB-CG 3.97Å
445G94.1Very high95.9Very high23 Ų2352.1 Ų52.124%0.23724%0.237CC..THydrogen-bonded Turntrans78.717.9-173.800000114.5H364 P365 K441 R442H364-G445 CarbonylContact C-O 3.5Å; P365-G445 VanDerWaalsContact CA-O 3.31Å; P365-G445 WeakPolarHBondContact CA-O 3.27Å; P365-G445 WeakPolarHBondContact CD-O 3.37Å; K441-G445 PolarHBondContact O-N 2.98Å; K441-G445 VanDerWaalsContact O-N 3.1Å; R442-G445 PolarHBondContact O-N 3.07Å
446L93Very high95.7Very high5 Ų550.3 Ų50.33%0.02623%0.229CC..  trans-88.7-13179.9-61.9170.6000113.5Y350 I363 G366 D367 P369 L372 K441 C444Y350-L446 HydrophobicContact CD1-CD1 4.46Å; I363-L446 HydrophobicContact CG2-CD2 3.73Å; I363-L446 HydrophobicContact CG2-CG 4.38Å; G366-L446 PolarHBondContact N-O 3.29Å; D367-L446 HydrophobicContact CB-CD2 4.07Å; P369-L446 HydrophobicContact CB-CD1 4.14Å; L372-L446 HydrophobicContact CD1-CD2 3.57Å; K441-L446 HydrophobicContact CB-CB 3.99Å; K441-L446 HydrophobicContact CG-CB 4.34Å; K441-L446 HydrophobicContact CG-CD1 4.24Å; K441-L446 PolarHBondContact O-N 3.05Å; C444-L446 HydrophobicContact CB-CD1 3.97Å; C444-L446 HydrophobicContact CB-CG 3.97Å
447L90.6Very high95.4Very high112 Ų11254.2 Ų54.259%0.58624%0.243SC*.  trans-139.10179.2-74.5179.6000111.4E438 K441E438-L447 HydrophobicContact CB-CD1 3.83Å; E438-L447 HydrophobicContact CG-CD1 3.78Å; K441-L447 HydrophobicContact CB-CB 4.29Å; K441-L447 HydrophobicContact CB-CD1 3.67Å; K441-L447 HydrophobicContact CB-CG 3.81Å; K441-L447 HydrophobicContact CD-CD1 3.84Å; K441-L447 HydrophobicContact CD-CG 4.2Å; K441-L447 HydrophobicContact CG-CD1 4.4Å

Retrieved 447 of 447 residues in 445.1 ms (Link to these results)

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