A0A5K4FCA5_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 386 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
1M48.4Very low85Confident219 Ų21987.8 Ų87.8100%1.07947%0.474SS*.  0114.70-137.9179.1-82.600105.5I3M1-I3 PolarHBondContact O-N 3.4Å
2T66.1Low85.8Confident146 Ų14688.7 Ų88.790%0.89649%0.488SS*.  trans-74.5111.2172.637.10000107E4T2-E4 PolarHBondContact O-N 3.37Å
3I78.2Confident86.6Confident59 Ų5983.1 Ų83.130%0.30346%0.458SS..  trans-69.4115.1172.4-57.1-174.4000106.4M1 L5 E162 L165 K166 I169M1-I3 PolarHBondContact O-N 3.4Å; I3-L5 PolarHBondContact O-N 2.91Å; I3-E162 HydrophobicContact CD1-CG 3.96Å; I3-L165 HydrophobicContact CB-CD2 4.31Å; I3-L165 HydrophobicContact CD1-CD2 3.73Å; I3-L165 HydrophobicContact CD1-CG 4.13Å; I3-L165 HydrophobicContact CG1-CD2 4.17Å; I3-K166 HydrophobicContact CD1-CG 4.29Å; I3-I169 HydrophobicContact CB-CD1 4.37Å; I3-I169 HydrophobicContact CG2-CD1 3.73Å
4E85.3Confident87.4Confident180 Ų18077.2 Ų77.284%0.84143%0.425SS*.PPolyproline II helixtrans-69126172.1-172.3174.7-176.400109T2 P6T2-E4 PolarHBondContact O-N 3.37Å; E4-P6 WeakPolarHBondContact O-CD 3.46Å
5L91.2Very high88Confident35 Ų3575.6 Ų75.618%0.18342%0.415CS..PPolyproline II helixtrans-80.7126.6-176.8-70.5161.5000110.3I3 H104 F107 I169 I173I3-L5 PolarHBondContact O-N 2.91Å; L5-H104 WeakPolarHBondContact CD1-O 3.41Å; L5-H104 PolarHBondContact O-CE1 3.28Å; L5-F107 HydrophobicContact CD1-CB 3.45Å; L5-F107 VanDerWaalsContact CD1-CB 3.45Å; L5-F107 HydrophobicContact CD1-CG 4.22Å; L5-F107 HydrophobicContact CD2-CB 4.4Å; L5-F107 HydrophobicContact CD2-CD1 4.07Å; L5-F107 HydrophobicContact CD2-CG 4.35Å; L5-I169 HydrophobicContact CD2-CD1 3.48Å; L5-I169 VanDerWaalsContact CD2-CD1 3.48Å; L5-I169 HydrophobicContact CD2-CG1 3.48Å; L5-I169 VanDerWaalsContact CD2-CG1 3.48Å; L5-I169 HydrophobicContact CD2-CG2 4.36Å; L5-I173 HydrophobicContact CD2-CG1 4.41Å
6P93.5Very high88.5Confident53 Ų5375.6 Ų75.634%0.34441%0.407SS..PPolyproline II helixtrans-57.3157.6171.3-24.334.3000112.4E4 H104 I173 L174E4-P6 WeakPolarHBondContact O-CD 3.46Å; P6-H104 PolarHBondContact O-NE2 3.18Å; P6-I173 HydrophobicContact CB-CG2 3.96Å; P6-I173 HydrophobicContact CG-CG2 4.38Å; P6-I173 WeakPolarHBondContact O-CG2 3.43Å; P6-L174 HydrophobicContact CB-CD2 3.87Å; P6-L174 HydrophobicContact CG-CD2 3.68Å
7E94.2Very high89Confident160 Ų16071.1 Ų71.175%0.74838%0.383SS*.PPolyproline II helixtrans-69.1136.9172.3-171.6-178.3175.400111
8V95.6Very high89.5Confident1 Ų167.2 Ų67.21%0.00636%0.361CS..  trans-86.2113.3175.6-172.80000109.8L96 L99 K100 I173V8-L96 HydrophobicContact CG1-CD1 3.81Å; V8-L99 HydrophobicContact CB-CB 4.47Å; V8-L99 HydrophobicContact CG1-CB 4.36Å; V8-L99 HydrophobicContact CG2-CB 4.13Å; V8-K100 WeakPolarHBondContact O-CE 3.08Å; V8-I173 HydrophobicContact CG2-CB 4.13Å; V8-I173 HydrophobicContact CG2-CD1 3.54Å; V8-I173 HydrophobicContact CG2-CG1 4.41Å; V8-I173 HydrophobicContact CG2-CG2 3.67Å
9T92.4Very high89.8Confident84 Ų8466.3 Ų66.352%0.51535%0.353SS..  trans-82.6-32.2-176.760.60000112.8G11T9-G11 PolarHBondContact OG1-N 3.12Å
10G94.3Very high90.2Very high14 Ų1463.3 Ų63.314%0.14434%0.337CS..  trans73.926.4-169.700000113.2I15G10-I15 WeakPolarHBondContact O-CD1 3.29Å
11G96.2Very high90.5Very high15 Ų1560.5 Ų60.516%0.15532%0.322CS..  trans-73.6-176-178.500000114.9T9 T13 W14 I15 D175T9-G11 PolarHBondContact OG1-N 3.12Å; G11-T13 PolarHBondContact O-N 3.07Å; G11-W14 WeakPolarHBondContact O-CB 3.35Å; G11-W14 PolarHBondContact O-N 3.05Å; G11-I15 WeakPolarHBondContact O-CG1 3.33Å; G11-I15 PolarHBondContact O-N 2.62Å; G11-D175 WeakPolarHBondContact CA-OD2 3.32Å
12P94.8Very high92.9Very high98 Ų9850 Ų5064%0.63627%0.27SS*.Hα-helixtrans-61.6-38.7-166-25.634.7000115.2R16P12-R16 WeakPolarHBondContact O-CG 3.33Å; P12-R16 PolarHBondContact O-N 2.74Å; P12-R16 VanDerWaalsContact O-N 3.17Å
13T96.2Very high94.2Very high16 Ų1643.4 Ų43.410%0.09823%0.229CC..Hα-helixtrans-71.4-40.6178.6-43.50000109.8G11 I15 R16 K17 D175 L188G11-T13 PolarHBondContact O-N 3.07Å; T13-I15 PolarHBondContact O-N 3.01Å; T13-R16 PolarHBondContact O-N 3.11Å; T13-K17 PolarHBondContact O-N 3.43Å; T13-D175 VanDerWaalsContact CA-OD1 3.24Å; T13-D175 WeakPolarHBondContact CA-OD1 3.34Å; T13-D175 WeakPolarHBondContact CB-OD1 3.25Å; T13-D175 PolarHBondContact N-OD1 3.32Å; T13-D175 PolarHBondContact OG1-OD1 2.71Å; T13-L188 HydrophobicContact CG2-CD1 3.89Å
14W97.5Very high95.1Very high1 Ų141.2 Ų41.20%0.00422%0.217CC..Hα-helixtrans-58.1-47.1175.3-173.794000111.9G11 R16 K17 M18 I92 L95 L96 L99 F172 D175G11-W14 WeakPolarHBondContact O-CB 3.35Å; G11-W14 PolarHBondContact O-N 3.05Å; W14-R16 VanDerWaalsContact C-N 3.32Å; W14-R16 PolarHBondContact O-N 2.95Å; W14-K17 WeakPolarHBondContact O-CB 3.04Å; W14-K17 PolarHBondContact O-N 3.34Å; W14-K17 VanDerWaalsContact O-N 3.15Å; W14-M18 HydrophobicContact CD2-CG 3.84Å; W14-M18 HydrophobicContact CE3-CG 3.89Å; W14-M18 HydrophobicContact CH2-CB 4.4Å; W14-M18 HydrophobicContact CH2-CG 3.45Å; W14-M18 VanDerWaalsContact CH2-CG 3.45Å; W14-M18 HydrophobicContact CH2-SD 4.38Å; W14-M18 HydrophobicContact CZ2-CG 3.36Å; W14-M18 HydrophobicContact CZ2-SD 3.79Å; W14-M18 HydrophobicContact CZ3-CB 4.45Å; W14-M18 HydrophobicContact CZ3-CG 3.73Å; W14-M18 WeakPolarHBondContact O-CG 3.46Å; W14-M18 PolarHBondContact O-N 2.59Å; W14-I92 HydrophobicContact CH2-CG2 4.26Å; W14-I92 HydrophobicContact CZ3-CG2 3.72Å; W14-L95 HydrophobicContact CZ2-CG 4.36Å; W14-L96 HydrophobicContact CH2-CB 3.61Å; W14-L96 HydrophobicContact CH2-CD1 4.02Å; W14-L96 HydrophobicContact CH2-CG 4.34Å; W14-L96 HydrophobicContact CZ2-CB 4.38Å; W14-L96 HydrophobicContact CZ2-CD1 4.26Å; W14-L96 HydrophobicContact CZ3-CB 4.05Å; W14-L96 HydrophobicContact CZ3-CD1 4.16Å; W14-L96 HydrophobicContact CZ3-CG 4.47Å; W14-L99 HydrophobicContact CZ2-CD1 3.73Å; W14-F172 PolarHBondContact NE1-O 3.07Å; W14-D175 HydrophobicContact CB-CB 4.41Å; W14-D175 PolarHBondContact N-OD1 3.22Å
15I96.4Very high95.6Very high53 Ų5332.9 Ų32.927%0.27218%0.178SC..Hα-helixtrans-57.8-45.7175.8-68.9169.9000110.5G10 G11 T13 K17 M18 R19G10-I15 WeakPolarHBondContact O-CD1 3.29Å; G11-I15 WeakPolarHBondContact O-CG1 3.33Å; G11-I15 PolarHBondContact O-N 2.62Å; T13-I15 PolarHBondContact O-N 3.01Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 3Å; I15-M18 PolarHBondContact O-N 3.45Å; I15-R19 HydrophobicContact CG2-CG 4.3Å; I15-R19 WeakPolarHBondContact O-CB 3.18Å; I15-R19 VanDerWaalsContact O-CG 3.27Å; I15-R19 WeakPolarHBondContact O-CG 3.33Å; I15-R19 PolarHBondContact O-N 3.05Å
16R95.7Very high95.8Very high75 Ų7531.2 Ų31.228%0.28317%0.169SC..Hα-helixtrans-61.4-39.6177.7-70.7174.663.5-172.8-5.4112.5P12 T13 W14 T20 L188 I189 N190P12-R16 WeakPolarHBondContact O-CG 3.33Å; P12-R16 PolarHBondContact O-N 2.74Å; P12-R16 VanDerWaalsContact O-N 3.17Å; T13-R16 PolarHBondContact O-N 3.11Å; W14-R16 VanDerWaalsContact C-N 3.32Å; W14-R16 PolarHBondContact O-N 2.95Å; R16-T20 WeakPolarHBondContact O-CB 3.41Å; R16-T20 PolarHBondContact O-N 3.35Å; R16-T20 PolarHBondContact O-OG1 3.49Å; R16-L188 HydrophobicContact CB-CB 4.34Å; R16-L188 HydrophobicContact CB-CD1 4.27Å; R16-L188 PolarHBondContact NH2-O 3.41Å; R16-I189 PolarHBondContact NE-O 2.98Å; R16-N190 PolarHBondContact NH1-OD1 3.41Å; R16-N190 VanDerWaalsContact NH1-OD1 3.07Å; R16-N190 VanDerWaalsContact NH2-CB 3.29Å; R16-N190 VanDerWaalsContact NH2-CG 3.31Å; R16-N190 PolarHBondContact NH2-OD1 3.29Å
17K97.5Very high95.9Very high0 Ų029.8 Ų29.80%016%0.159CC..Hα-helixtrans-60.4-48.7173.4-77.1-172.3-70.8-178.60112T13 W14 I15 R19 T20 L21 D170 F171 L174 L188T13-K17 PolarHBondContact O-N 3.43Å; W14-K17 WeakPolarHBondContact O-CB 3.04Å; W14-K17 PolarHBondContact O-N 3.34Å; W14-K17 VanDerWaalsContact O-N 3.15Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 3Å; K17-R19 PolarHBondContact O-N 3.49Å; K17-T20 PolarHBondContact O-N 3.24Å; K17-L21 WeakPolarHBondContact O-CB 3Å; K17-L21 PolarHBondContact O-N 2.89Å; K17-D170 PolarHBondContact NZ-O 2.97Å; K17-F171 HydrophobicContact CB-CE1 4.13Å; K17-F171 HydrophobicContact CB-CE2 4.08Å; K17-F171 HydrophobicContact CB-CZ 3.74Å; K17-F171 HydrophobicContact CD-CD2 3.78Å; K17-F171 HydrophobicContact CD-CE2 3.82Å; K17-F171 HydrophobicContact CD-CG 4.2Å; K17-F171 HydrophobicContact CD-CZ 4.27Å; K17-F171 WeakPolarHBondContact CD-O 3.34Å; K17-F171 WeakPolarHBondContact CE-O 3.37Å; K17-F171 HydrophobicContact CG-CD2 4.33Å; K17-F171 HydrophobicContact CG-CE2 3.84Å; K17-F171 HydrophobicContact CG-CZ 4.05Å; K17-F171 PolarHBondContact NZ-O 2.96Å; K17-L174 PolarHBondContact NZ-O 2.79Å; K17-L188 HydrophobicContact CB-CD2 4.35Å; K17-L188 HydrophobicContact CG-CD1 3.95Å; K17-L188 HydrophobicContact CG-CD2 3.71Å; K17-L188 HydrophobicContact CG-CG 4.5Å
18M98.1Very high95.9Very high0 Ų022.4 Ų22.40%013%0.126CC..Hα-helixtrans-68.9-36-177.5-60.9-51.499.400112.4W14 I15 L21 F22 F91 I92 L95 F171 F172W14-M18 HydrophobicContact CD2-CG 3.84Å; W14-M18 HydrophobicContact CE3-CG 3.89Å; W14-M18 HydrophobicContact CH2-CB 4.4Å; W14-M18 HydrophobicContact CH2-CG 3.45Å; W14-M18 VanDerWaalsContact CH2-CG 3.45Å; W14-M18 HydrophobicContact CH2-SD 4.38Å; W14-M18 HydrophobicContact CZ2-CG 3.36Å; W14-M18 HydrophobicContact CZ2-SD 3.79Å; W14-M18 HydrophobicContact CZ3-CB 4.45Å; W14-M18 HydrophobicContact CZ3-CG 3.73Å; W14-M18 WeakPolarHBondContact O-CG 3.46Å; W14-M18 PolarHBondContact O-N 2.59Å; I15-M18 PolarHBondContact O-N 3.45Å; M18-L21 PolarHBondContact O-N 3.4Å; M18-F22 WeakPolarHBondContact O-CB 3.11Å; M18-F22 PolarHBondContact O-N 2.86Å; M18-F91 HydrophobicContact CB-CE1 4.36Å; M18-F91 WeakPolarHBondContact O-CE1 3.5Å; M18-I92 HydrophobicContact CB-CG1 4.01Å; M18-L95 HydrophobicContact CG-CD2 4.13Å; M18-L95 HydrophobicContact SD-CD2 3.24Å; M18-L95 WeakPolarHBondContact SD-CD2 3.17Å; M18-L95 HydrophobicContact SD-CG 4.22Å; M18-F171 HydrophobicContact CE-CD1 3.89Å; M18-F171 HydrophobicContact CE-CE1 3.53Å; M18-F171 HydrophobicContact CE-CZ 4.35Å; M18-F172 HydrophobicContact CE-CD1 3.98Å; M18-F172 HydrophobicContact CE-CE1 4.31Å; M18-F172 HydrophobicContact SD-CD1 4.01Å; M18-F172 HydrophobicContact SD-CE1 4.21Å
19R95.8Very high95.8Very high51 Ų5122.4 Ų22.419%0.19213%0.126CC..Hα-helixtrans-60.8-47.1170.5-72.4177.4169.3168.3-2.8111.8I15 K17 L21 F22 R23 E88 I92 R193I15-R19 HydrophobicContact CG2-CG 4.3Å; I15-R19 WeakPolarHBondContact O-CB 3.18Å; I15-R19 VanDerWaalsContact O-CG 3.27Å; I15-R19 WeakPolarHBondContact O-CG 3.33Å; I15-R19 PolarHBondContact O-N 3.05Å; K17-R19 PolarHBondContact O-N 3.49Å; R19-L21 PolarHBondContact O-N 2.88Å; R19-F22 PolarHBondContact O-N 2.88Å; R19-R23 WeakPolarHBondContact O-CG 3.42Å; R19-R23 PolarHBondContact O-N 2.82Å; R19-E88 HydrophobicContact CG-CG 4.3Å; R19-E88 WeakPolarHBondContact CG-OE1 3.36Å; R19-E88 IonicContact NE-OE1 2.66Å; R19-E88 PolarHBondContact NE-OE1 2.91Å; R19-I92 HydrophobicContact CG-CD1 3.51Å; R19-R193 VanDerWaalsContact NE-NH1 3.13Å
20T96Very high95.9Very high6 Ų620 Ų204%0.03711%0.108CC..Hα-helixtrans-59.7-48.9177.6-54.40000109.9R16 K17 F22 R23 R24 W185 L188 I189R16-T20 WeakPolarHBondContact O-CB 3.41Å; R16-T20 PolarHBondContact O-N 3.35Å; R16-T20 PolarHBondContact O-OG1 3.49Å; K17-T20 PolarHBondContact O-N 3.24Å; T20-F22 PolarHBondContact O-N 2.99Å; T20-R23 PolarHBondContact O-N 3.35Å; T20-R24 VanDerWaalsContact O-CG 3.29Å; T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 2.84Å; T20-W185 HydrophobicContact CG2-CB 4.37Å; T20-L188 HydrophobicContact CG2-CD2 4.45Å; T20-I189 PolarHBondContact OG1-N 2.87Å; T20-I189 VanDerWaalsContact OG1-N 3.15Å
21L97.6Very high95.9Very high4 Ų419.8 Ų19.82%0.02111%0.107CC..Hα-helixtrans-56.3-49.2175.2174.659.8000112.3K17 M18 R19 R23 R24 L25 F91 F171 F172 W185K17-L21 WeakPolarHBondContact O-CB 3Å; K17-L21 PolarHBondContact O-N 2.89Å; M18-L21 PolarHBondContact O-N 3.4Å; R19-L21 PolarHBondContact O-N 2.88Å; L21-R23 VanDerWaalsContact C-N 3.35Å; L21-R23 PolarHBondContact O-N 2.61Å; L21-R24 PolarHBondContact O-N 2.96Å; L21-R24 VanDerWaalsContact O-N 3.15Å; L21-L25 HydrophobicContact CD1-CD1 3.99Å; L21-L25 HydrophobicContact CD1-CG 4.11Å; L21-L25 HydrophobicContact CG-CD1 4.08Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 3.15Å; L21-F91 HydrophobicContact CD2-CZ 3.98Å; L21-F91 HydrophobicContact CG-CZ 4.16Å; L21-F171 HydrophobicContact CB-CE1 4.4Å; L21-F171 HydrophobicContact CD2-CE1 4.45Å; L21-F172 HydrophobicContact CD2-CE1 3.52Å; L21-F172 HydrophobicContact CD2-CZ 3.75Å; L21-W185 HydrophobicContact CD1-CD2 3.79Å; L21-W185 VanDerWaalsContact CD1-CE2 3.46Å; L21-W185 HydrophobicContact CD1-CE3 4.4Å; L21-W185 HydrophobicContact CD1-CG 4.07Å; L21-W185 HydrophobicContact CD1-CH2 4.38Å; L21-W185 HydrophobicContact CD1-CZ2 3.8Å
22F97.7Very high95.9Very high0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-54.7-50.1177.6174.6-90000111.7M18 R19 T20 R24 L25 D26 L33 I86 E88 F91M18-F22 WeakPolarHBondContact O-CB 3.11Å; M18-F22 PolarHBondContact O-N 2.86Å; R19-F22 PolarHBondContact O-N 2.88Å; T20-F22 PolarHBondContact O-N 2.99Å; F22-R24 VanDerWaalsContact C-N 3.3Å; F22-R24 PolarHBondContact O-N 3.18Å; F22-L25 PolarHBondContact O-N 3.42Å; F22-L25 VanDerWaalsContact O-N 3.1Å; F22-D26 PolarHBondContact O-N 3.11Å; F22-L33 HydrophobicContact CD2-CD1 3.68Å; F22-L33 HydrophobicContact CD2-CG 3.87Å; F22-L33 HydrophobicContact CE2-CD1 3.97Å; F22-L33 HydrophobicContact CE2-CG 3.65Å; F22-L33 HydrophobicContact CZ-CG 4.42Å; F22-I86 WeakPolarHBondContact CE2-O 3.5Å; F22-E88 HydrophobicContact CB-CG 4.22Å; F22-E88 HydrophobicContact CD1-CB 3.69Å; F22-E88 HydrophobicContact CD1-CG 3.61Å; F22-E88 HydrophobicContact CD2-CB 4.33Å; F22-E88 HydrophobicContact CD2-CG 4.47Å; F22-E88 HydrophobicContact CE1-CB 3.61Å; F22-E88 HydrophobicContact CE1-CG 4.08Å; F22-E88 HydrophobicContact CE2-CB 4.24Å; F22-E88 HydrophobicContact CG-CB 4.06Å; F22-E88 HydrophobicContact CG-CG 3.84Å; F22-E88 HydrophobicContact CZ-CB 3.89Å; F22-E88 VanDerWaalsContact CZ-N 3.26Å; F22-F91 HydrophobicContact CB-CD1 3.84Å; F22-F91 HydrophobicContact CB-CE1 3.99Å; F22-F91 HydrophobicContact CB-CG 4.42Å; F22-F91 HydrophobicContact CD2-CB 3.7Å; F22-F91 AromaticContact CD2-CD1 3.98Å; F22-F91 HydrophobicContact CD2-CD1 3.98Å; F22-F91 HydrophobicContact CD2-CD2 4.23Å; F22-F91 AromaticContact CD2-CG 3.71Å; F22-F91 HydrophobicContact CD2-CG 3.71Å; F22-F91 HydrophobicContact CE2-CB 4.14Å; F22-F91 HydrophobicContact CG-CD1 4.36Å
23R95.1Very high96Very high7 Ų717.5 Ų17.53%0.0268%0.081CC..Hα-helixtrans-64.4-34.7179.3-66.7-65.1-179.6173.15.3111.9R19 T20 L21 L25 D26 E88 I189 D297 W301R19-R23 WeakPolarHBondContact O-CG 3.42Å; R19-R23 PolarHBondContact O-N 2.82Å; T20-R23 PolarHBondContact O-N 3.35Å; L21-R23 VanDerWaalsContact C-N 3.35Å; L21-R23 PolarHBondContact O-N 2.61Å; R23-L25 VanDerWaalsContact C-N 3.31Å; R23-L25 PolarHBondContact O-N 3.26Å; R23-D26 PolarHBondContact O-N 3.4Å; R23-E88 IonicContact CZ-OE2 2.65Å; R23-E88 IonicContact NE-OE2 2.96Å; R23-E88 PolarHBondContact NE-OE2 3.14Å; R23-E88 VanDerWaalsContact NE-OE2 3.09Å; R23-E88 IonicContact NH2-OE2 3.24Å; R23-E88 PolarHBondContact NH2-OE2 3.34Å; R23-I189 HydrophobicContact CB-CD1 3.98Å; R23-I189 HydrophobicContact CG-CD1 3.6Å; R23-D297 IonicContact NH2-OD1 3.86Å; R23-D297 IonicContact NH2-OD2 3.86Å; R23-W301 HydrophobicContact CB-CH2 3.69Å; R23-W301 HydrophobicContact CB-CZ2 3.79Å; R23-W301 HydrophobicContact CB-CZ3 4.16Å; R23-W301 HydrophobicContact CG-CZ2 4.47Å; R23-W301 WeakPolarHBondContact O-CH2 3.17Å; R23-W301 WeakPolarHBondContact O-CZ2 3.41Å
24R95.4Very high96.1Very high13 Ų1319.2 Ų19.25%0.0499%0.088CC..Hα-helixtrans-66.4-33.4173.5-68.3-51.9-57.4154.40.1113T20 L21 F22 T27 K140 W185 E308 N311T20-R24 VanDerWaalsContact O-CG 3.29Å; T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 2.84Å; L21-R24 PolarHBondContact O-N 2.96Å; L21-R24 VanDerWaalsContact O-N 3.15Å; F22-R24 VanDerWaalsContact C-N 3.3Å; F22-R24 PolarHBondContact O-N 3.18Å; R24-T27 WeakPolarHBondContact O-CG2 3.33Å; R24-K140 HydrophobicContact CB-CB 4.43Å; R24-K140 PolarHBondContact NE-O 3.41Å; R24-K140 PolarHBondContact NH2-O 2.65Å; R24-K140 WeakPolarHBondContact O-CB 3.37Å; R24-W185 HydrophobicContact CG-CB 4.01Å; R24-W185 HydrophobicContact CG-CG 4.45Å; R24-W185 VanDerWaalsContact CG-O 3.28Å; R24-W185 WeakPolarHBondContact CG-O 3.26Å; R24-E308 IonicContact NH1-OE1 3.04Å; R24-N311 PolarHBondContact NH1-O 2.96Å; R24-N311 PolarHBondContact NH1-OD1 2.97Å; R24-N311 PolarHBondContact NH2-ND2 3.11Å; R24-N311 VanDerWaalsContact NH2-ND2 3.18Å; R24-N311 PolarHBondContact NH2-O 3.2Å
25L96.7Very high96Very high5 Ų519.7 Ų19.73%0.0269%0.091CC..Hα-helixtrans-76-33.2176.4-66.8172.6000112.6L21 F22 R23 T27 L33 I38 I41 F91 K140L21-L25 HydrophobicContact CD1-CD1 3.99Å; L21-L25 HydrophobicContact CD1-CG 4.11Å; L21-L25 HydrophobicContact CG-CD1 4.08Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 3.15Å; F22-L25 PolarHBondContact O-N 3.42Å; F22-L25 VanDerWaalsContact O-N 3.1Å; R23-L25 VanDerWaalsContact C-N 3.31Å; R23-L25 PolarHBondContact O-N 3.26Å; L25-T27 PolarHBondContact O-N 3Å; L25-L33 HydrophobicContact CB-CD1 3.92Å; L25-L33 HydrophobicContact CB-CD2 3.53Å; L25-L33 HydrophobicContact CB-CG 4.4Å; L25-L33 HydrophobicContact CD1-CD1 3.88Å; L25-I38 HydrophobicContact CD1-CD1 4.36Å; L25-I41 HydrophobicContact CD2-CD1 4.36Å; L25-F91 HydrophobicContact CD1-CE2 4.4Å; L25-F91 HydrophobicContact CD1-CZ 4.48Å; L25-K140 HydrophobicContact CD2-CG 4.42Å
26D96Very high96Very high0 Ų020.3 Ų20.30%010%0.095CC..  trans-74.965.3174.5-179.824.8000111.3F22 R23 S28 G29 H30 G31 L33 W301F22-D26 PolarHBondContact O-N 3.11Å; R23-D26 PolarHBondContact O-N 3.4Å; D26-S28 PolarHBondContact O-N 2.85Å; D26-S28 PolarHBondContact OD1-OG 2.91Å; D26-S28 VanDerWaalsContact OD1-OG 3.05Å; D26-G29 PolarHBondContact O-N 3.47Å; D26-G29 WeakPolarHBondContact OD1-CA 3.38Å; D26-G29 PolarHBondContact OD1-N 2.96Å; D26-G29 WeakPolarHBondContact OD2-CA 3.37Å; D26-H30 IonicContact OD1-CE1 3.95Å; D26-H30 IonicContact OD1-CG 3.51Å; D26-H30 PolarHBondContact OD1-N 3.23Å; D26-H30 IonicContact OD1-ND1 3.58Å; D26-H30 PolarHBondContact OD2-N 3.42Å; D26-G31 WeakPolarHBondContact OD2-CA 3.23Å; D26-G31 PolarHBondContact OD2-N 3.33Å; D26-L33 HydrophobicContact CB-CD2 4.12Å; D26-W301 PolarHBondContact OD2-NE1 3.14Å
27T94.7Very high96Very high22 Ų2216.9 Ų16.914%0.1358%0.083CC..  trans-67.9-25.3-177.260.90000113.1R24 L25 K140 R247 K305R24-T27 WeakPolarHBondContact O-CG2 3.33Å; L25-T27 PolarHBondContact O-N 3Å; T27-K140 HydrophobicContact CG2-CD 3.77Å; T27-K140 HydrophobicContact CG2-CG 3.91Å; T27-R247 PolarHBondContact O-NE 3.36Å; T27-K305 WeakPolarHBondContact O-CE 3.3Å; T27-K305 PolarHBondContact O-NZ 2.76Å
28S93.9Very high96Very high6 Ų617.1 Ų17.14%0.0428%0.084CC..SBendtrans-75.9-28.1175.147.10000112.8D26 H30 A250D26-S28 PolarHBondContact O-N 2.85Å; D26-S28 PolarHBondContact OD1-OG 2.91Å; D26-S28 VanDerWaalsContact OD1-OG 3.05Å; S28-H30 WeakPolarHBondContact CB-CD2 3.37Å; S28-H30 PolarHBondContact OG-CD2 2.87Å; S28-H30 PolarHBondContact OG-CE1 3.1Å; S28-H30 PolarHBondContact OG-NE2 3.1Å; S28-A250 WeakPolarHBondContact O-CB 3.36Å
29G94.4Very high95.9Very high0 Ų020.3 Ų20.30%010%0.101CC..  trans82.123.4178.200000114.3D26 Q298 T302D26-G29 PolarHBondContact O-N 3.47Å; D26-G29 WeakPolarHBondContact OD1-CA 3.38Å; D26-G29 PolarHBondContact OD1-N 2.96Å; D26-G29 WeakPolarHBondContact OD2-CA 3.37Å; G29-Q298 PolarHBondContact O-NE2 2.98Å; G29-T302 WeakPolarHBondContact O-CA 3.26Å; G29-T302 WeakPolarHBondContact O-CB 3.36Å; G29-T302 PolarHBondContact O-OG1 3.28Å
30H93.9Very high95.9Very high34 Ų3421 Ų2116%0.15711%0.106CC..SBendtrans-92.4-1.6-177.251.761.7000114.6D26 S28 Y32 A250D26-H30 IonicContact OD1-CE1 3.95Å; D26-H30 IonicContact OD1-CG 3.51Å; D26-H30 PolarHBondContact OD1-N 3.23Å; D26-H30 IonicContact OD1-ND1 3.58Å; D26-H30 PolarHBondContact OD2-N 3.42Å; S28-H30 WeakPolarHBondContact CB-CD2 3.37Å; S28-H30 PolarHBondContact OG-CD2 2.87Å; S28-H30 PolarHBondContact OG-CE1 3.1Å; S28-H30 PolarHBondContact OG-NE2 3.1Å; H30-Y32 HydrophobicContact CB-CD1 4.16Å; H30-Y32 HydrophobicContact CB-CE1 3.62Å; H30-Y32 AromaticContact CD2-CZ 3.98Å; H30-Y32 AromaticContact CE1-CD2 3.2Å; H30-Y32 WeakPolarHBondContact CE1-CD2 3.4Å; H30-Y32 AromaticContact CE1-CE2 3.14Å; H30-Y32 WeakPolarHBondContact CE1-CE2 3.45Å; H30-Y32 AromaticContact CE1-CG 3.82Å; H30-Y32 AromaticContact CE1-CZ 3.7Å; H30-Y32 PolarHBondContact CE1-O 3.32Å; H30-Y32 AromaticContact CG-CE1 3.6Å; H30-Y32 AromaticContact CG-CE2 3.76Å; H30-Y32 AromaticContact CG-CZ 3.45Å; H30-Y32 VanDerWaalsContact CG-CZ 3.45Å; H30-Y32 AromaticContact ND1-CD1 3.38Å; H30-Y32 WeakPolarHBondContact ND1-CD1 3.21Å; H30-Y32 AromaticContact ND1-CD2 3.11Å; H30-Y32 WeakPolarHBondContact ND1-CD2 3.31Å; H30-Y32 AromaticContact ND1-CE1 3.37Å; H30-Y32 WeakPolarHBondContact ND1-CE1 3.34Å; H30-Y32 AromaticContact ND1-CE2 3.1Å; H30-Y32 WeakPolarHBondContact ND1-CE2 3.49Å; H30-Y32 AromaticContact ND1-CG 3.25Å; H30-Y32 VanDerWaalsContact ND1-CG 3.25Å; H30-Y32 AromaticContact ND1-CZ 3.23Å; H30-Y32 PolarHBondContact ND1-O 3.01Å; H30-Y32 AromaticContact NE2-CE2 3.76Å; H30-Y32 VanDerWaalsContact O-CD1 3.24Å; H30-Y32 WeakPolarHBondContact O-CD1 3.35Å; H30-A250 HydrophobicContact CB-CB 3.97Å
31G94.4Very high95.9Very high10 Ų1020.8 Ų20.810%0.10310%0.104CC..SBendtrans82.614.8173.200000115.2D26 Q298D26-G31 WeakPolarHBondContact OD2-CA 3.23Å; D26-G31 PolarHBondContact OD2-N 3.33Å; G31-Q298 VanDerWaalsContact N-NE2 3.19Å
32Y96.3Very high95.9Very high65 Ų6520.6 Ų20.626%0.25510%0.104SC..EExtended strand (participates in β ladder)trans-147.2164.7175.656.3-96.6000109.7H30 M34 T85 I86H30-Y32 HydrophobicContact CB-CD1 4.16Å; H30-Y32 HydrophobicContact CB-CE1 3.62Å; H30-Y32 AromaticContact CD2-CZ 3.98Å; H30-Y32 AromaticContact CE1-CD2 3.2Å; H30-Y32 WeakPolarHBondContact CE1-CD2 3.4Å; H30-Y32 AromaticContact CE1-CE2 3.14Å; H30-Y32 WeakPolarHBondContact CE1-CE2 3.45Å; H30-Y32 AromaticContact CE1-CG 3.82Å; H30-Y32 AromaticContact CE1-CZ 3.7Å; H30-Y32 PolarHBondContact CE1-O 3.32Å; H30-Y32 AromaticContact CG-CE1 3.6Å; H30-Y32 AromaticContact CG-CE2 3.76Å; H30-Y32 AromaticContact CG-CZ 3.45Å; H30-Y32 VanDerWaalsContact CG-CZ 3.45Å; H30-Y32 AromaticContact ND1-CD1 3.38Å; H30-Y32 WeakPolarHBondContact ND1-CD1 3.21Å; H30-Y32 AromaticContact ND1-CD2 3.11Å; H30-Y32 WeakPolarHBondContact ND1-CD2 3.31Å; H30-Y32 AromaticContact ND1-CE1 3.37Å; H30-Y32 WeakPolarHBondContact ND1-CE1 3.34Å; H30-Y32 AromaticContact ND1-CE2 3.1Å; H30-Y32 WeakPolarHBondContact ND1-CE2 3.49Å; H30-Y32 AromaticContact ND1-CG 3.25Å; H30-Y32 VanDerWaalsContact ND1-CG 3.25Å; H30-Y32 AromaticContact ND1-CZ 3.23Å; H30-Y32 PolarHBondContact ND1-O 3.01Å; H30-Y32 AromaticContact NE2-CE2 3.76Å; H30-Y32 VanDerWaalsContact O-CD1 3.24Å; H30-Y32 WeakPolarHBondContact O-CD1 3.35Å; Y32-M34 HydrophobicContact CD2-CG 4.02Å; Y32-M34 HydrophobicContact CE2-CG 3.96Å; Y32-M34 HydrophobicContact CE2-SD 3.92Å; Y32-T85 VanDerWaalsContact CD2-CB 3.41Å; Y32-T85 HydrophobicContact CD2-CG2 3.3Å; Y32-T85 HydrophobicContact CE2-CG2 3.32Å; Y32-T85 HydrophobicContact CG-CG2 3.99Å; Y32-I86 CarbonylContact C-O 3.56Å; Y32-I86 WeakPolarHBondContact CA-O 3.32Å; Y32-I86 WeakPolarHBondContact CB-O 3.47Å
33L97.8Very high95.9Very high0 Ų024.2 Ų24.20%013%0.126CC..EExtended strand (participates in β ladder)trans-113.2149.2170.2-60.2177.8000110F22 L25 D26 D37 W68 T85 I86 F91F22-L33 HydrophobicContact CD2-CD1 3.68Å; F22-L33 HydrophobicContact CD2-CG 3.87Å; F22-L33 HydrophobicContact CE2-CD1 3.97Å; F22-L33 HydrophobicContact CE2-CG 3.65Å; F22-L33 HydrophobicContact CZ-CG 4.42Å; L25-L33 HydrophobicContact CB-CD1 3.92Å; L25-L33 HydrophobicContact CB-CD2 3.53Å; L25-L33 HydrophobicContact CB-CG 4.4Å; L25-L33 HydrophobicContact CD1-CD1 3.88Å; D26-L33 HydrophobicContact CB-CD2 4.12Å; L33-D37 WeakPolarHBondContact CA-OD2 3.25Å; L33-D37 HydrophobicContact CD2-CB 4.28Å; L33-W68 HydrophobicContact CB-CZ3 4.4Å; L33-T85 CarbonylContact O-C 3.57Å; L33-T85 WeakPolarHBondContact O-CA 3.42Å; L33-I86 PolarHBondContact N-O 2.92Å; L33-I86 PolarHBondContact O-N 3.22Å; L33-F91 HydrophobicContact CD1-CD2 3.86Å; L33-F91 HydrophobicContact CD1-CE2 4.02Å
34M96.8Very high95.9Very high51 Ų5125.6 Ų25.625%0.25114%0.137SC..  trans-122.4165.9170.7-63.9-176.865.400109.4Y32 D36 D37 T85Y32-M34 HydrophobicContact CD2-CG 4.02Å; Y32-M34 HydrophobicContact CE2-CG 3.96Å; Y32-M34 HydrophobicContact CE2-SD 3.92Å; M34-D36 PolarHBondContact O-N 3.17Å; M34-D36 VanDerWaalsContact O-N 3.13Å; M34-D37 PolarHBondContact N-OD2 2.88Å; M34-D37 WeakPolarHBondContact O-CB 3.48Å; M34-D37 PolarHBondContact O-N 3.32Å; M34-T85 HydrophobicContact CG-CG2 3.95Å; M34-T85 HydrophobicContact SD-CG2 4.2Å
35V96.7Very high96Very high11 Ų1125 Ų257%0.06713%0.134CC..Hα-helixtrans-54.2-34.5175.767.20000112D37 I38 L39 W68 T82V35-D37 VanDerWaalsContact C-N 3.28Å; V35-D37 PolarHBondContact O-N 3.29Å; V35-I38 PolarHBondContact O-N 3.46Å; V35-I38 VanDerWaalsContact O-N 3.11Å; V35-L39 HydrophobicContact CG2-CD1 4.08Å; V35-L39 HydrophobicContact CG2-CG 4.22Å; V35-L39 WeakPolarHBondContact O-CG 3.35Å; V35-L39 PolarHBondContact O-N 2.89Å; V35-W68 HydrophobicContact CB-CD2 3.98Å; V35-W68 HydrophobicContact CB-CG 4.14Å; V35-W68 HydrophobicContact CB-CZ2 4.1Å; V35-W68 HydrophobicContact CG2-CB 4.4Å; V35-W68 HydrophobicContact CG2-CD2 4.17Å; V35-W68 HydrophobicContact CG2-CG 3.81Å; V35-T82 HydrophobicContact CG1-CG2 4.24Å; V35-T82 VanDerWaalsContact CG1-O 3.29Å; V35-T82 WeakPolarHBondContact CG1-O 3.49Å
36D95.2Very high96Very high66 Ų6626.5 Ų26.535%0.35314%0.141SC..Hα-helixtrans-59.1-36.3178.4-72.8-9.3000112.9M34 I38 L39 E40 R246M34-D36 PolarHBondContact O-N 3.17Å; M34-D36 VanDerWaalsContact O-N 3.13Å; D36-I38 PolarHBondContact O-N 2.75Å; D36-L39 PolarHBondContact O-N 3.42Å; D36-E40 WeakPolarHBondContact O-CB 3.31Å; D36-E40 PolarHBondContact O-N 3.09Å; D36-R246 IonicContact OD2-CZ 3.93Å; D36-R246 IonicContact OD2-NH2 3.83Å; D36-R246 PolarHBondContact OD2-NH2 3.22Å
37D96.1Very high96Very high4 Ų432.4 Ų32.42%0.02117%0.173CC..Hα-helixtrans-65.9-31.7179.9-57.7-53.7000111L33 M34 V35L33-D37 WeakPolarHBondContact CA-OD2 3.25Å; L33-D37 HydrophobicContact CD2-CB 4.28Å; M34-D37 PolarHBondContact N-OD2 2.88Å; M34-D37 WeakPolarHBondContact O-CB 3.48Å; M34-D37 PolarHBondContact O-N 3.32Å; V35-D37 VanDerWaalsContact C-N 3.28Å; V35-D37 PolarHBondContact O-N 3.29Å
38I97.4Very high96.1Very high4 Ų435 Ų352%0.02119%0.185CC..Hα-helixtrans-78.2-41.2175-53.5-52.7000110.9L25 V35 D36 E40 I41 L64 W68 I72L25-I38 HydrophobicContact CD1-CD1 4.36Å; V35-I38 PolarHBondContact O-N 3.46Å; V35-I38 VanDerWaalsContact O-N 3.11Å; D36-I38 PolarHBondContact O-N 2.75Å; I38-E40 VanDerWaalsContact C-N 3.26Å; I38-E40 PolarHBondContact O-N 3.2Å; I38-I41 HydrophobicContact CG2-CD1 4.5Å; I38-I41 VanDerWaalsContact O-CB 3.32Å; I38-I41 WeakPolarHBondContact O-CB 3.47Å; I38-I41 WeakPolarHBondContact O-CG1 3.38Å; I38-I41 PolarHBondContact O-N 3.46Å; I38-L64 HydrophobicContact CG2-CB 4.1Å; I38-L64 HydrophobicContact CG2-CD2 3.95Å; I38-W68 HydrophobicContact CG1-CE3 3.71Å; I38-W68 HydrophobicContact CG1-CZ3 4.3Å; I38-I72 HydrophobicContact CD1-CD1 3.81Å; I38-I72 HydrophobicContact CG1-CD1 4.22Å
39L96Very high96.3Very high68 Ų6836.6 Ų36.636%0.35619%0.19SC..Hα-helixtrans-68.1-25.7177.9-66.5177.5000113V35 D36 I41 G42 T43V35-L39 HydrophobicContact CG2-CD1 4.08Å; V35-L39 HydrophobicContact CG2-CG 4.22Å; V35-L39 WeakPolarHBondContact O-CG 3.35Å; V35-L39 PolarHBondContact O-N 2.89Å; D36-L39 PolarHBondContact O-N 3.42Å; L39-I41 PolarHBondContact O-N 2.92Å; L39-G42 PolarHBondContact O-N 3.28Å; L39-T43 PolarHBondContact O-N 3.26Å; L39-T43 PolarHBondContact O-OG1 3.39Å; L39-T43 VanDerWaalsContact O-OG1 3.09Å
40E95.5Very high96.3Very high64 Ų6441.8 Ų41.830%0.29922%0.224SC..Hα-helixtrans-61.6-31.3174.7-164.6-176.814100112D36 I38 G42 T43 S44 K140D36-E40 WeakPolarHBondContact O-CB 3.31Å; D36-E40 PolarHBondContact O-N 3.09Å; I38-E40 VanDerWaalsContact C-N 3.26Å; I38-E40 PolarHBondContact O-N 3.2Å; E40-G42 PolarHBondContact O-N 3.33Å; E40-T43 PolarHBondContact O-N 3Å; E40-S44 WeakPolarHBondContact O-CB 2.97Å; E40-S44 PolarHBondContact O-N 3.42Å; E40-K140 IonicContact OE1-NZ 2.91Å; E40-K140 PolarHBondContact OE1-NZ 2.96Å
41I97.2Very high96.4Very high2 Ų249.6 Ų49.61%0.0126%0.257CS..Hα-helixtrans-58.8-49.3174.8-55.9167.3000110L25 I38 L39 S44 L45 L64 W139L25-I41 HydrophobicContact CD2-CD1 4.36Å; I38-I41 HydrophobicContact CG2-CD1 4.5Å; I38-I41 VanDerWaalsContact O-CB 3.32Å; I38-I41 WeakPolarHBondContact O-CB 3.47Å; I38-I41 WeakPolarHBondContact O-CG1 3.38Å; I38-I41 PolarHBondContact O-N 3.46Å; L39-I41 PolarHBondContact O-N 2.92Å; I41-S44 PolarHBondContact O-N 3.31Å; I41-L45 PolarHBondContact O-N 2.82Å; I41-L45 VanDerWaalsContact O-N 3.1Å; I41-L64 HydrophobicContact CB-CD1 4.49Å; I41-L64 HydrophobicContact CB-CD2 4.14Å; I41-L64 HydrophobicContact CD1-CD2 4.19Å; I41-L64 HydrophobicContact CG2-CD2 4.26Å; I41-W139 HydrophobicContact CD1-CD2 4.45Å; I41-W139 HydrophobicContact CD1-CG 3.9Å; I41-W139 HydrophobicContact CG1-CG 4.45Å; I41-W139 HydrophobicContact CG2-CB 4.15Å; I41-W139 HydrophobicContact CG2-CG 4.33Å
42G97.1Very high96.4Very high1 Ų150.1 Ų50.11%0.0126%0.257CS..Hα-helixtrans-63-47.4177.200000111.5L39 E40 S44 L45 F46L39-G42 PolarHBondContact O-N 3.28Å; E40-G42 PolarHBondContact O-N 3.33Å; G42-S44 VanDerWaalsContact C-N 3.3Å; G42-S44 PolarHBondContact O-N 3.25Å; G42-L45 PolarHBondContact O-N 2.8Å; G42-L45 VanDerWaalsContact O-N 3.1Å; G42-F46 VanDerWaalsContact C-CD2 3.44Å; G42-F46 WeakPolarHBondContact O-CD2 3.27Å; G42-F46 WeakPolarHBondContact O-CE2 3.47Å; G42-F46 WeakPolarHBondContact O-CG 3.47Å; G42-F46 PolarHBondContact O-N 3.23Å
43T96.4Very high96.4Very high75 Ų7551 Ų5146%0.4627%0.266SS..Hα-helixtrans-56.2-44.2178.1-56.80000112L39 E40 F46 N47L39-T43 PolarHBondContact O-N 3.26Å; L39-T43 PolarHBondContact O-OG1 3.39Å; L39-T43 VanDerWaalsContact O-OG1 3.09Å; E40-T43 PolarHBondContact O-N 3Å; T43-F46 PolarHBondContact O-N 2.92Å; T43-N47 VanDerWaalsContact O-CG 3.28Å; T43-N47 PolarHBondContact O-N 3.48Å; T43-N47 VanDerWaalsContact O-N 3.11Å; T43-N47 PolarHBondContact O-ND2 3.4Å
44S96.2Very high96.4Very high36 Ų3656 Ų5625%0.25230%0.301SS..Hα-helixtrans-60.5-47.4175.6178.80000111.6E40 I41 G42 F46 N47 I48 S138E40-S44 WeakPolarHBondContact O-CB 2.97Å; E40-S44 PolarHBondContact O-N 3.42Å; I41-S44 PolarHBondContact O-N 3.31Å; G42-S44 VanDerWaalsContact C-N 3.3Å; G42-S44 PolarHBondContact O-N 3.25Å; S44-F46 PolarHBondContact O-N 2.85Å; S44-N47 PolarHBondContact O-N 3.45Å; S44-I48 WeakPolarHBondContact O-CG1 3.28Å; S44-I48 PolarHBondContact O-N 3.44Å; S44-I48 VanDerWaalsContact O-N 3.15Å; S44-S138 WeakPolarHBondContact CB-OG 3.42Å; S44-S138 WeakPolarHBondContact OG-CB 3.43Å; S44-S138 PolarHBondContact OG-OG 2.71Å
45L97Very high96.3Very high0 Ų059.1 Ų59.10%031%0.311CS..Hα-helixtrans-63.8-39.5178.1-80.4172.5000113.2I41 G42 N47 I48 Y49 L60 I119 S134 L135I41-L45 PolarHBondContact O-N 2.82Å; I41-L45 VanDerWaalsContact O-N 3.1Å; G42-L45 PolarHBondContact O-N 2.8Å; G42-L45 VanDerWaalsContact O-N 3.1Å; L45-N47 VanDerWaalsContact C-N 3.28Å; L45-N47 PolarHBondContact O-N 3.27Å; L45-I48 PolarHBondContact O-N 2.84Å; L45-Y49 HydrophobicContact CD2-CD2 4.23Å; L45-Y49 HydrophobicContact CD2-CE2 4.08Å; L45-Y49 WeakPolarHBondContact O-CD2 3.29Å; L45-Y49 PolarHBondContact O-N 3.29Å; L45-L60 HydrophobicContact CB-CD2 3.98Å; L45-L60 HydrophobicContact CD1-CD1 4.17Å; L45-L60 HydrophobicContact CD1-CD2 3.57Å; L45-L60 HydrophobicContact CG-CD2 4.42Å; L45-I119 HydrophobicContact CD2-CD1 3.68Å; L45-S134 WeakPolarHBondContact CD2-O 3.21Å; L45-L135 HydrophobicContact CD1-CD1 3.9Å
46F96.7Very high96.3Very high37 Ų3758.6 Ų58.616%0.16231%0.308CS..Hα-helixtrans-67.6-30.4177.9-56-36.5000112.5G42 T43 S44 Y49 P50 M52 Y57 L60 V61G42-F46 VanDerWaalsContact C-CD2 3.44Å; G42-F46 WeakPolarHBondContact O-CD2 3.27Å; G42-F46 WeakPolarHBondContact O-CE2 3.47Å; G42-F46 WeakPolarHBondContact O-CG 3.47Å; G42-F46 PolarHBondContact O-N 3.23Å; T43-F46 PolarHBondContact O-N 2.92Å; S44-F46 PolarHBondContact O-N 2.85Å; F46-Y49 CarbonylContact O-C 3.59Å; F46-Y49 VanDerWaalsContact O-C 3.27Å; F46-P50 WeakPolarHBondContact O-CA 3.32Å; F46-M52 HydrophobicContact CD1-SD 4.16Å; F46-M52 HydrophobicContact CE1-SD 3.96Å; F46-Y57 AromaticContact CD1-CD2 3.47Å; F46-Y57 HydrophobicContact CD1-CD2 3.47Å; F46-Y57 VanDerWaalsContact CD1-CD2 3.47Å; F46-Y57 AromaticContact CD1-CE2 3.65Å; F46-Y57 HydrophobicContact CD1-CE2 3.65Å; F46-Y57 HydrophobicContact CD2-CD2 4.21Å; F46-Y57 AromaticContact CD2-CE2 3.5Å; F46-Y57 HydrophobicContact CD2-CE2 3.5Å; F46-Y57 VanDerWaalsContact CD2-CE2 3.5Å; F46-Y57 AromaticContact CE1-CD2 3.19Å; F46-Y57 HydrophobicContact CE1-CD2 3.19Å; F46-Y57 AromaticContact CE1-CE2 3.49Å; F46-Y57 HydrophobicContact CE1-CE2 3.49Å; F46-Y57 VanDerWaalsContact CE1-CE2 3.49Å; F46-Y57 AromaticContact CE1-CG 3.91Å; F46-Y57 HydrophobicContact CE1-CG 3.91Å; F46-Y57 AromaticContact CE2-CD2 3.99Å; F46-Y57 HydrophobicContact CE2-CD2 3.99Å; F46-Y57 AromaticContact CE2-CE2 3.35Å; F46-Y57 HydrophobicContact CE2-CE2 3.35Å; F46-Y57 AromaticContact CE2-CZ 3.72Å; F46-Y57 AromaticContact CG-CD2 3.99Å; F46-Y57 HydrophobicContact CG-CD2 3.99Å; F46-Y57 AromaticContact CG-CE2 3.67Å; F46-Y57 HydrophobicContact CG-CE2 3.67Å; F46-Y57 AromaticContact CZ-CD2 3.5Å; F46-Y57 HydrophobicContact CZ-CD2 3.5Å; F46-Y57 HydrophobicContact CZ-CE1 4.43Å; F46-Y57 AromaticContact CZ-CE2 3.35Å; F46-Y57 HydrophobicContact CZ-CE2 3.35Å; F46-Y57 HydrophobicContact CZ-CG 4.11Å; F46-Y57 AromaticContact CZ-CZ 3.84Å; F46-L60 HydrophobicContact CE1-CD2 3.67Å; F46-L60 HydrophobicContact CZ-CD2 3.91Å; F46-L60 HydrophobicContact CZ-CG 4.42Å; F46-V61 HydrophobicContact CE2-CG2 4.11Å; F46-V61 HydrophobicContact CZ-CG2 3.72Å
47N97.3Very high96.3Very high125 Ų12560.8 Ų60.867%0.66831%0.312SS*.Hα-helixtrans-70.5-34.7172.6-70.6-27.1000112.3T43 S44 L45T43-N47 VanDerWaalsContact O-CG 3.28Å; T43-N47 PolarHBondContact O-N 3.48Å; T43-N47 VanDerWaalsContact O-N 3.11Å; T43-N47 PolarHBondContact O-ND2 3.4Å; S44-N47 PolarHBondContact O-N 3.45Å; L45-N47 VanDerWaalsContact C-N 3.28Å; L45-N47 PolarHBondContact O-N 3.27Å
48I96.9Very high96.3Very high77 Ų7763.9 Ų63.940%0.39533%0.328SS..Hα-helixtrans-73.3-40.6175.6-63.3166.2000110.8S44 L45 P50S44-I48 WeakPolarHBondContact O-CG1 3.28Å; S44-I48 PolarHBondContact O-N 3.44Å; S44-I48 VanDerWaalsContact O-N 3.15Å; L45-I48 PolarHBondContact O-N 2.84Å; I48-P50 WeakPolarHBondContact O-CD 3.35Å
49Y96.5Very high96.2Very high38 Ų3866.5 Ų66.515%0.14934%0.341CS..  trans-117.467.4-177.6-58.6-73.9000111.8L45 F46 K51 M52 I119 Q121 S134L45-Y49 HydrophobicContact CD2-CD2 4.23Å; L45-Y49 HydrophobicContact CD2-CE2 4.08Å; L45-Y49 WeakPolarHBondContact O-CD2 3.29Å; L45-Y49 PolarHBondContact O-N 3.29Å; F46-Y49 CarbonylContact O-C 3.59Å; F46-Y49 VanDerWaalsContact O-C 3.27Å; Y49-K51 PolarHBondContact O-N 2.91Å; Y49-M52 HydrophobicContact CD2-CE 4.28Å; Y49-M52 HydrophobicContact CG-CE 4.45Å; Y49-M52 VanDerWaalsContact O-CB 3.29Å; Y49-M52 WeakPolarHBondContact O-CB 3.32Å; Y49-M52 PolarHBondContact O-N 2.8Å; Y49-I119 HydrophobicContact CD2-CD1 4.29Å; Y49-I119 HydrophobicContact CE2-CD1 3.58Å; Y49-Q121 HydrophobicContact CD1-CG 3.68Å; Y49-Q121 HydrophobicContact CE1-CG 3.59Å; Y49-Q121 HydrophobicContact CG-CG 4.42Å; Y49-S134 WeakPolarHBondContact OH-CB 3.46Å; Y49-S134 PolarHBondContact OH-OG 2.86Å
50P95.5Very high96.2Very high109 Ų10963.3 Ų63.371%0.70832%0.324SS*.THydrogen-bonded Turntrans-66.2-10.8-17827.6-36.2000113.7F46 I48F46-P50 WeakPolarHBondContact O-CA 3.32Å; I48-P50 WeakPolarHBondContact O-CD 3.35Å
51K95.2Very high96.3Very high198 Ų19862.2 Ų62.286%0.86132%0.322SS*.THydrogen-bonded Turntrans-108.216.1176.2-58.1-174.8-178.3177.60112.9Y49 L53Y49-K51 PolarHBondContact O-N 2.91Å; K51-L53 PolarHBondContact O-N 3.32Å
52M95.6Very high96.3Very high21 Ų2167.3 Ų67.310%0.10334%0.344CS..  trans-53.4133.1175.2-177.8179.6-72.700109.9F46 Y49 K56 S118F46-M52 HydrophobicContact CD1-SD 4.16Å; F46-M52 HydrophobicContact CE1-SD 3.96Å; Y49-M52 HydrophobicContact CD2-CE 4.28Å; Y49-M52 HydrophobicContact CG-CE 4.45Å; Y49-M52 VanDerWaalsContact O-CB 3.29Å; Y49-M52 WeakPolarHBondContact O-CB 3.32Å; Y49-M52 PolarHBondContact O-N 2.8Å; M52-K56 HydrophobicContact CG-CB 3.7Å; M52-K56 HydrophobicContact SD-CB 4.07Å; M52-S118 WeakPolarHBondContact CE-O 3.27Å
53L96.4Very high96.3Very high84 Ų8467.5 Ų67.544%0.4434%0.344SS..  trans-61141.9178.6-65.3175.4000110.4K51 Y55 K56 Y57K51-L53 PolarHBondContact O-N 3.32Å; L53-Y55 VanDerWaalsContact C-N 3.26Å; L53-Y55 HydrophobicContact CB-CD1 3.95Å; L53-Y55 HydrophobicContact CB-CE1 3.76Å; L53-Y55 HydrophobicContact CD1-CE1 3.65Å; L53-Y55 HydrophobicContact CG-CE1 4.34Å; L53-Y55 PolarHBondContact O-N 2.59Å; L53-Y55 VanDerWaalsContact O-N 3.12Å; L53-K56 HydrophobicContact CB-CD 4.44Å; L53-K56 HydrophobicContact CB-CG 4.34Å; L53-K56 WeakPolarHBondContact O-CB 3.37Å; L53-K56 PolarHBondContact O-N 2.9Å; L53-Y57 PolarHBondContact O-N 3.19Å
54S96.1Very high96.4Very high106 Ų10664.1 Ų64.174%0.74132%0.324SS*.Hα-helixtrans-57.8-33.6-171.8-52.10000114.3Y57 D58S54-Y57 WeakPolarHBondContact O-CB 3.49Å; S54-D58 PolarHBondContact O-N 3.47Å
55Y95.5Very high96.5Very high116 Ų11664.7 Ų64.746%0.45533%0.326SS..Hα-helixtrans-71.8-36.2176.476.5-90000112L53 Y57 D58 E59 N123L53-Y55 VanDerWaalsContact C-N 3.26Å; L53-Y55 HydrophobicContact CB-CD1 3.95Å; L53-Y55 HydrophobicContact CB-CE1 3.76Å; L53-Y55 HydrophobicContact CD1-CE1 3.65Å; L53-Y55 HydrophobicContact CG-CE1 4.34Å; L53-Y55 PolarHBondContact O-N 2.59Å; L53-Y55 VanDerWaalsContact O-N 3.12Å; Y55-Y57 VanDerWaalsContact C-N 3.32Å; Y55-D58 PolarHBondContact O-N 2.65Å; Y55-E59 WeakPolarHBondContact O-CG 3.3Å; Y55-E59 PolarHBondContact O-N 3.32Å; Y55-N123 PolarHBondContact OH-ND2 3.27Å; Y55-N123 PolarHBondContact OH-OD1 3.49Å
56K96.1Very high96.5Very high0 Ų065.6 Ų65.60%033%0.329CS..Hα-helixtrans-65.2-39.5175.2-67-173179.5176.30111.4M52 L53 E59 L60 N117 D120 Q121 N123M52-K56 HydrophobicContact CG-CB 3.7Å; M52-K56 HydrophobicContact SD-CB 4.07Å; L53-K56 HydrophobicContact CB-CD 4.44Å; L53-K56 HydrophobicContact CB-CG 4.34Å; L53-K56 WeakPolarHBondContact O-CB 3.37Å; L53-K56 PolarHBondContact O-N 2.9Å; K56-E59 PolarHBondContact O-N 3.47Å; K56-L60 PolarHBondContact O-N 2.91Å; K56-N117 WeakPolarHBondContact CD-O 3.48Å; K56-N117 WeakPolarHBondContact CE-O 3.46Å; K56-N117 WeakPolarHBondContact CG-O 3.49Å; K56-D120 WeakPolarHBondContact CE-O 3.32Å; K56-D120 PolarHBondContact NZ-O 3.49Å; K56-Q121 PolarHBondContact NZ-O 3.18Å; K56-N123 WeakPolarHBondContact CE-OD1 3.36Å; K56-N123 PolarHBondContact NZ-OD1 2.6Å
57Y95.6Very high96.5Very high111 Ų11164.4 Ų64.444%0.43532%0.324SS..Hα-helixtrans-57.5-49.5171.7179.4-78.2000110.9F46 L53 S54 Y55 L60 V61F46-Y57 AromaticContact CD1-CD2 3.47Å; F46-Y57 HydrophobicContact CD1-CD2 3.47Å; F46-Y57 VanDerWaalsContact CD1-CD2 3.47Å; F46-Y57 AromaticContact CD1-CE2 3.65Å; F46-Y57 HydrophobicContact CD1-CE2 3.65Å; F46-Y57 HydrophobicContact CD2-CD2 4.21Å; F46-Y57 AromaticContact CD2-CE2 3.5Å; F46-Y57 HydrophobicContact CD2-CE2 3.5Å; F46-Y57 VanDerWaalsContact CD2-CE2 3.5Å; F46-Y57 AromaticContact CE1-CD2 3.19Å; F46-Y57 HydrophobicContact CE1-CD2 3.19Å; F46-Y57 AromaticContact CE1-CE2 3.49Å; F46-Y57 HydrophobicContact CE1-CE2 3.49Å; F46-Y57 VanDerWaalsContact CE1-CE2 3.49Å; F46-Y57 AromaticContact CE1-CG 3.91Å; F46-Y57 HydrophobicContact CE1-CG 3.91Å; F46-Y57 AromaticContact CE2-CD2 3.99Å; F46-Y57 HydrophobicContact CE2-CD2 3.99Å; F46-Y57 AromaticContact CE2-CE2 3.35Å; F46-Y57 HydrophobicContact CE2-CE2 3.35Å; F46-Y57 AromaticContact CE2-CZ 3.72Å; F46-Y57 AromaticContact CG-CD2 3.99Å; F46-Y57 HydrophobicContact CG-CD2 3.99Å; F46-Y57 AromaticContact CG-CE2 3.67Å; F46-Y57 HydrophobicContact CG-CE2 3.67Å; F46-Y57 AromaticContact CZ-CD2 3.5Å; F46-Y57 HydrophobicContact CZ-CD2 3.5Å; F46-Y57 HydrophobicContact CZ-CE1 4.43Å; F46-Y57 AromaticContact CZ-CE2 3.35Å; F46-Y57 HydrophobicContact CZ-CE2 3.35Å; F46-Y57 HydrophobicContact CZ-CG 4.11Å; F46-Y57 AromaticContact CZ-CZ 3.84Å; L53-Y57 PolarHBondContact O-N 3.19Å; S54-Y57 WeakPolarHBondContact O-CB 3.49Å; Y55-Y57 VanDerWaalsContact C-N 3.32Å; Y57-L60 PolarHBondContact O-N 3.05Å; Y57-V61 HydrophobicContact CD1-CG2 4.04Å; Y57-V61 HydrophobicContact CE1-CG2 3.62Å; Y57-V61 WeakPolarHBondContact O-CG2 3.46Å; Y57-V61 PolarHBondContact O-N 3.39Å
58D96Very high96.6Very high69 Ų6958.5 Ų58.537%0.36929%0.293SS..Hα-helixtrans-64.4-42.2-179.7-175.951000112.5S54 Y55 L60 V61 K62S54-D58 PolarHBondContact O-N 3.47Å; Y55-D58 PolarHBondContact O-N 2.65Å; D58-L60 PolarHBondContact O-N 3.43Å; D58-V61 PolarHBondContact O-N 3.49Å; D58-K62 VanDerWaalsContact O-CB 3.3Å; D58-K62 WeakPolarHBondContact O-CB 3.17Å; D58-K62 VanDerWaalsContact O-CG 3.23Å; D58-K62 WeakPolarHBondContact O-CG 3.27Å; D58-K62 PolarHBondContact O-N 3.22Å; D58-K62 WeakPolarHBondContact OD1-CE 3.38Å; D58-K62 IonicContact OD1-NZ 2.62Å; D58-K62 WeakPolarHBondContact OD2-CE 3.5Å; D58-K62 IonicContact OD2-NZ 3.25Å; D58-K62 PolarHBondContact OD2-NZ 2.89Å
59E95.7Very high96.6Very high60 Ų6057 Ų5728%0.2828%0.283SS..Hα-helixtrans-56.5-49.4173-72.2-62.7139.100111.5Y55 K56 K62 T63 P114Y55-E59 WeakPolarHBondContact O-CG 3.3Å; Y55-E59 PolarHBondContact O-N 3.32Å; K56-E59 PolarHBondContact O-N 3.47Å; E59-K62 PolarHBondContact O-N 3.07Å; E59-T63 PolarHBondContact O-N 2.82Å; E59-T63 PolarHBondContact O-OG1 2.89Å; E59-P114 HydrophobicContact CB-CB 4.37Å
60L96.7Very high96.7Very high0 Ų059 Ų590%030%0.295CS..Hα-helixtrans-61.4-48.6178.8-179.359.7000111.8L45 F46 K56 Y57 D58 K62 T63 L64 L115L45-L60 HydrophobicContact CB-CD2 3.98Å; L45-L60 HydrophobicContact CD1-CD1 4.17Å; L45-L60 HydrophobicContact CD1-CD2 3.57Å; L45-L60 HydrophobicContact CG-CD2 4.42Å; F46-L60 HydrophobicContact CE1-CD2 3.67Å; F46-L60 HydrophobicContact CZ-CD2 3.91Å; F46-L60 HydrophobicContact CZ-CG 4.42Å; K56-L60 PolarHBondContact O-N 2.91Å; Y57-L60 PolarHBondContact O-N 3.05Å; D58-L60 PolarHBondContact O-N 3.43Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.39Å; L60-T63 PolarHBondContact O-N 3.02Å; L60-L64 HydrophobicContact CD1-CD1 4.32Å; L60-L64 HydrophobicContact CD1-CG 4.26Å; L60-L64 HydrophobicContact CG-CD1 4.2Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.11Å; L60-L115 HydrophobicContact CD1-CD2 3.78Å
61V97.2Very high96.8Very high42 Ų4253.8 Ų53.826%0.25526%0.262SS..Hα-helixtrans-61.4-44.6179.8173.20000110.9F46 Y57 D58 T63 L64 V65F46-V61 HydrophobicContact CE2-CG2 4.11Å; F46-V61 HydrophobicContact CZ-CG2 3.72Å; Y57-V61 HydrophobicContact CD1-CG2 4.04Å; Y57-V61 HydrophobicContact CE1-CG2 3.62Å; Y57-V61 WeakPolarHBondContact O-CG2 3.46Å; Y57-V61 PolarHBondContact O-N 3.39Å; D58-V61 PolarHBondContact O-N 3.49Å; V61-T63 VanDerWaalsContact C-N 3.3Å; V61-T63 PolarHBondContact O-N 2.7Å; V61-L64 PolarHBondContact O-N 3.15Å; V61-V65 HydrophobicContact CG1-CG2 4.28Å; V61-V65 WeakPolarHBondContact O-CB 3.41Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.32Å; V61-V65 PolarHBondContact O-N 2.82Å
62K96.5Very high96.9Very high109 Ų10944.8 Ų44.847%0.47422%0.223SC..Hα-helixtrans-58.8-42.5177.2-78.5169172.8169.30111.7D58 E59 L60 V65 Y66D58-K62 VanDerWaalsContact O-CB 3.3Å; D58-K62 WeakPolarHBondContact O-CB 3.17Å; D58-K62 VanDerWaalsContact O-CG 3.23Å; D58-K62 WeakPolarHBondContact O-CG 3.27Å; D58-K62 PolarHBondContact O-N 3.22Å; D58-K62 WeakPolarHBondContact OD1-CE 3.38Å; D58-K62 IonicContact OD1-NZ 2.62Å; D58-K62 WeakPolarHBondContact OD2-CE 3.5Å; D58-K62 IonicContact OD2-NZ 3.25Å; D58-K62 PolarHBondContact OD2-NZ 2.89Å; E59-K62 PolarHBondContact O-N 3.07Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.39Å; K62-V65 PolarHBondContact O-N 3.43Å; K62-Y66 VanDerWaalsContact O-CB 3.32Å; K62-Y66 WeakPolarHBondContact O-CB 3.41Å; K62-Y66 PolarHBondContact O-N 3.47Å
63T97.9Very high97.1Very high4 Ų443.9 Ų43.93%0.02522%0.219CC..Hα-helixtrans-68-40.8177.5-65.40000112.6E59 L60 V61 V65 Y66 L67 K110 F111 P114 L115E59-T63 PolarHBondContact O-N 2.82Å; E59-T63 PolarHBondContact O-OG1 2.89Å; L60-T63 PolarHBondContact O-N 3.02Å; V61-T63 VanDerWaalsContact C-N 3.3Å; V61-T63 PolarHBondContact O-N 2.7Å; T63-V65 VanDerWaalsContact C-N 3.34Å; T63-V65 PolarHBondContact O-N 2.86Å; T63-Y66 PolarHBondContact O-N 3.15Å; T63-L67 HydrophobicContact CG2-CD1 4.25Å; T63-L67 HydrophobicContact CG2-CG 4.39Å; T63-L67 WeakPolarHBondContact O-CB 3.33Å; T63-L67 VanDerWaalsContact O-CG 3.27Å; T63-L67 WeakPolarHBondContact O-CG 3.42Å; T63-L67 PolarHBondContact O-N 3.39Å; T63-K110 PolarHBondContact OG1-O 2.88Å; T63-F111 HydrophobicContact CG2-CD2 4.16Å; T63-P114 WeakPolarHBondContact OG1-CB 3.31Å; T63-P114 WeakPolarHBondContact OG1-CG 3.42Å; T63-L115 HydrophobicContact CG2-CD2 4.16Å; T63-L115 HydrophobicContact CG2-CG 4.08Å
64L98Very high97.1Very high5 Ų542.1 Ų42.13%0.02621%0.209CC..Hα-helixtrans-63.4-40.8175.4-67177.5000112I38 I41 L60 V61 L67 W68I38-L64 HydrophobicContact CG2-CB 4.1Å; I38-L64 HydrophobicContact CG2-CD2 3.95Å; I41-L64 HydrophobicContact CB-CD1 4.49Å; I41-L64 HydrophobicContact CB-CD2 4.14Å; I41-L64 HydrophobicContact CD1-CD2 4.19Å; I41-L64 HydrophobicContact CG2-CD2 4.26Å; L60-L64 HydrophobicContact CD1-CD1 4.32Å; L60-L64 HydrophobicContact CD1-CG 4.26Å; L60-L64 HydrophobicContact CG-CD1 4.2Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.11Å; V61-L64 PolarHBondContact O-N 3.15Å; L64-L67 PolarHBondContact O-N 3.2Å; L64-W68 PolarHBondContact O-N 3.17Å
65V97.1Very high97.1Very high48 Ų4840.5 Ų40.529%0.29119%0.19SC..Hα-helixtrans-63.4-46.5173.8170.50000110.6V61 K62 T63 L67 W68 Y69V61-V65 HydrophobicContact CG1-CG2 4.28Å; V61-V65 WeakPolarHBondContact O-CB 3.41Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.32Å; V61-V65 PolarHBondContact O-N 2.82Å; K62-V65 PolarHBondContact O-N 3.43Å; T63-V65 VanDerWaalsContact C-N 3.34Å; T63-V65 PolarHBondContact O-N 2.86Å; V65-L67 PolarHBondContact O-N 3.48Å; V65-W68 PolarHBondContact O-N 2.96Å; V65-Y69 HydrophobicContact CG1-CD2 3.68Å; V65-Y69 HydrophobicContact CG1-CE2 4.05Å; V65-Y69 VanDerWaalsContact O-CD2 3.32Å; V65-Y69 WeakPolarHBondContact O-CD2 3.3Å; V65-Y69 PolarHBondContact O-N 3.24Å
66Y97.6Very high97.2Very high19 Ų1936.7 Ų36.78%0.07518%0.179CC..Hα-helixtrans-58.7-45.9176.2171.1-107.7000111.9K62 T63 W68 D70 V71 L103 K110K62-Y66 VanDerWaalsContact O-CB 3.32Å; K62-Y66 WeakPolarHBondContact O-CB 3.41Å; K62-Y66 PolarHBondContact O-N 3.47Å; T63-Y66 PolarHBondContact O-N 3.15Å; Y66-W68 VanDerWaalsContact C-N 3.28Å; Y66-W68 PolarHBondContact O-N 3.11Å; Y66-D70 HydrophobicContact CD2-CB 3.49Å; Y66-D70 VanDerWaalsContact CD2-CB 3.49Å; Y66-D70 HydrophobicContact CE2-CB 3.46Å; Y66-D70 VanDerWaalsContact CE2-CB 3.46Å; Y66-D70 HydrophobicContact CG-CB 4.43Å; Y66-D70 WeakPolarHBondContact O-CA 3.25Å; Y66-D70 WeakPolarHBondContact O-CB 3.5Å; Y66-D70 PolarHBondContact O-N 3.39Å; Y66-V71 HydrophobicContact CD1-CG2 4.4Å; Y66-V71 HydrophobicContact CE1-CG2 3.93Å; Y66-V71 PolarHBondContact O-N 3.02Å; Y66-L103 HydrophobicContact CE1-CD1 3.85Å; Y66-K110 HydrophobicContact CD1-CB 3.99Å; Y66-K110 HydrophobicContact CD2-CD 4.19Å; Y66-K110 HydrophobicContact CE1-CB 3.55Å; Y66-K110 HydrophobicContact CE1-CD 4.23Å; Y66-K110 HydrophobicContact CE2-CB 4.39Å; Y66-K110 HydrophobicContact CE2-CD 3.57Å
67L98.1Very high97.2Very high12 Ų1240.5 Ų40.56%0.06320%0.203CC..Iπ-helixtrans-58.8-40176.1-73.2173.8000111.9T63 L64 V65 V71 I72 F111 W139T63-L67 HydrophobicContact CG2-CD1 4.25Å; T63-L67 HydrophobicContact CG2-CG 4.39Å; T63-L67 WeakPolarHBondContact O-CB 3.33Å; T63-L67 VanDerWaalsContact O-CG 3.27Å; T63-L67 WeakPolarHBondContact O-CG 3.42Å; T63-L67 PolarHBondContact O-N 3.39Å; L64-L67 PolarHBondContact O-N 3.2Å; V65-L67 PolarHBondContact O-N 3.48Å; L67-V71 HydrophobicContact CD2-CG2 4.31Å; L67-V71 VanDerWaalsContact O-CB 3.31Å; L67-V71 WeakPolarHBondContact O-CB 3.33Å; L67-I72 WeakPolarHBondContact O-CB 3.06Å; L67-I72 VanDerWaalsContact O-CG1 3.3Å; L67-I72 WeakPolarHBondContact O-CG1 3.29Å; L67-I72 PolarHBondContact O-N 2.87Å; L67-F111 HydrophobicContact CD1-CD2 4.2Å; L67-F111 HydrophobicContact CD1-CE2 3.82Å; L67-F111 HydrophobicContact CD2-CD2 3.79Å; L67-F111 HydrophobicContact CD2-CE2 3.67Å; L67-F111 HydrophobicContact CD2-CG 4.41Å; L67-F111 HydrophobicContact CD2-CZ 4.2Å; L67-F111 HydrophobicContact CG-CD2 4.31Å; L67-F111 HydrophobicContact CG-CE2 4.26Å; L67-W139 HydrophobicContact CD1-CZ2 4.34Å
68W98.2Very high97.1Very high1 Ų143.5 Ų43.50%0.00421%0.214CC..Iπ-helixtrans-71.6-57.3176.8-175.8-105.7000112.3L33 V35 I38 L64 V65 Y66 I72 C73 A81 I84 I86L33-W68 HydrophobicContact CB-CZ3 4.4Å; V35-W68 HydrophobicContact CB-CD2 3.98Å; V35-W68 HydrophobicContact CB-CG 4.14Å; V35-W68 HydrophobicContact CB-CZ2 4.1Å; V35-W68 HydrophobicContact CG2-CB 4.4Å; V35-W68 HydrophobicContact CG2-CD2 4.17Å; V35-W68 HydrophobicContact CG2-CG 3.81Å; I38-W68 HydrophobicContact CG1-CE3 3.71Å; I38-W68 HydrophobicContact CG1-CZ3 4.3Å; L64-W68 PolarHBondContact O-N 3.17Å; V65-W68 PolarHBondContact O-N 2.96Å; Y66-W68 VanDerWaalsContact C-N 3.28Å; Y66-W68 PolarHBondContact O-N 3.11Å; W68-I72 HydrophobicContact CE3-CB 4.17Å; W68-I72 HydrophobicContact CE3-CD1 4.49Å; W68-I72 HydrophobicContact CE3-CG2 3.83Å; W68-I72 HydrophobicContact CZ3-CG2 3.73Å; W68-I72 PolarHBondContact O-N 3.25Å; W68-C73 HydrophobicContact CD2-CB 4.13Å; W68-C73 HydrophobicContact CG-CB 4.46Å; W68-C73 HydrophobicContact CZ2-CB 4.07Å; W68-C73 WeakPolarHBondContact O-CA 3.44Å; W68-C73 WeakPolarHBondContact O-CB 3.41Å; W68-C73 PolarHBondContact O-N 3.5Å; W68-A81 WeakPolarHBondContact CZ2-O 3.18Å; W68-A81 PolarHBondContact NE1-O 3.33Å; W68-I84 HydrophobicContact CZ2-CG2 4.44Å; W68-I86 HydrophobicContact CH2-CD1 3.58Å; W68-I86 HydrophobicContact CH2-CG1 4.1Å; W68-I86 HydrophobicContact CZ2-CD1 4.02Å; W68-I86 HydrophobicContact CZ3-CD1 3.98Å
69Y97.5Very high96.9Very high46 Ų4647.7 Ų47.718%0.1823%0.231CC..Iπ-helixtrans-81.1-28.9-167.2-72.4-84.9000114.3V65 R78 A81 T82V65-Y69 HydrophobicContact CG1-CD2 3.68Å; V65-Y69 HydrophobicContact CG1-CE2 4.05Å; V65-Y69 VanDerWaalsContact O-CD2 3.32Å; V65-Y69 WeakPolarHBondContact O-CD2 3.3Å; V65-Y69 PolarHBondContact O-N 3.24Å; Y69-R78 HydrophobicContact CD1-CG 3.82Å; Y69-R78 HydrophobicContact CE1-CG 3.91Å; Y69-A81 HydrophobicContact CD1-CB 3.68Å; Y69-A81 HydrophobicContact CE1-CB 3.57Å; Y69-T82 PolarHBondContact OH-OG1 3.24Å
70D97.5Very high96.9Very high78 Ų7849.4 Ų49.442%0.41724%0.242SC..Iπ-helixtrans-112.4-6.9-172.6-56.4-85.7000112.7Y66 I74 S98Y66-D70 HydrophobicContact CD2-CB 3.49Å; Y66-D70 VanDerWaalsContact CD2-CB 3.49Å; Y66-D70 HydrophobicContact CE2-CB 3.46Å; Y66-D70 VanDerWaalsContact CE2-CB 3.46Å; Y66-D70 HydrophobicContact CG-CB 4.43Å; Y66-D70 WeakPolarHBondContact O-CA 3.25Å; Y66-D70 WeakPolarHBondContact O-CB 3.5Å; Y66-D70 PolarHBondContact O-N 3.39Å; D70-I74 VanDerWaalsContact O-CG2 3.24Å; D70-I74 WeakPolarHBondContact O-CG2 3.31Å; D70-S98 PolarHBondContact O-OG 2.8Å; D70-S98 VanDerWaalsContact O-OG 3.09Å
71V98.1Very high96.9Very high0 Ų049.5 Ų49.50%024%0.242CC..Iπ-helixtrans-122.4-57.3179.2-175.30000112.3Y66 L67 N94 L95 L103Y66-V71 HydrophobicContact CD1-CG2 4.4Å; Y66-V71 HydrophobicContact CE1-CG2 3.93Å; Y66-V71 PolarHBondContact O-N 3.02Å; L67-V71 HydrophobicContact CD2-CG2 4.31Å; L67-V71 VanDerWaalsContact O-CB 3.31Å; L67-V71 WeakPolarHBondContact O-CB 3.33Å; V71-N94 CarbonylContact O-C 3.58Å; V71-L95 HydrophobicContact CG1-CD1 3.39Å; V71-L103 HydrophobicContact CB-CD2 4.42Å; V71-L103 HydrophobicContact CG1-CD2 3.64Å; V71-L103 HydrophobicContact CG2-CB 4.41Å; V71-L103 HydrophobicContact CG2-CD1 4.33Å; V71-L103 HydrophobicContact CG2-CD2 3.86Å; V71-L103 HydrophobicContact CG2-CG 4.44Å
72I98.2Very high96.8Very high10 Ų1050.5 Ų50.55%0.05125%0.249CC..Iπ-helixtrans-86.2-42.5-171.4-65.7166.8000111.9I38 L67 W68 I86 F91 N94I38-I72 HydrophobicContact CD1-CD1 3.81Å; I38-I72 HydrophobicContact CG1-CD1 4.22Å; L67-I72 WeakPolarHBondContact O-CB 3.06Å; L67-I72 VanDerWaalsContact O-CG1 3.3Å; L67-I72 WeakPolarHBondContact O-CG1 3.29Å; L67-I72 PolarHBondContact O-N 2.87Å; W68-I72 HydrophobicContact CE3-CB 4.17Å; W68-I72 HydrophobicContact CE3-CD1 4.49Å; W68-I72 HydrophobicContact CE3-CG2 3.83Å; W68-I72 HydrophobicContact CZ3-CG2 3.73Å; W68-I72 PolarHBondContact O-N 3.25Å; I72-I86 HydrophobicContact CG2-CD1 3.65Å; I72-I86 WeakPolarHBondContact O-CD1 3.24Å; I72-F91 HydrophobicContact CD1-CE2 4.04Å; I72-F91 HydrophobicContact CG1-CD2 4.25Å; I72-F91 HydrophobicContact CG1-CE2 3.96Å; I72-F91 HydrophobicContact CG2-CD2 3.95Å; I72-F91 HydrophobicContact CG2-CE2 4.43Å; I72-N94 WeakPolarHBondContact O-CB 3.32Å; I72-N94 PolarHBondContact O-ND2 3.09Å
73C98.3Very high96.8Very high2 Ų250.3 Ų50.31%0.01426%0.256CS..SBendtrans-113.958.1-171.8-165.40000112.3W68 A81 I84 I86W68-C73 HydrophobicContact CD2-CB 4.13Å; W68-C73 HydrophobicContact CG-CB 4.46Å; W68-C73 HydrophobicContact CZ2-CB 4.07Å; W68-C73 WeakPolarHBondContact O-CA 3.44Å; W68-C73 WeakPolarHBondContact O-CB 3.41Å; W68-C73 PolarHBondContact O-N 3.5Å; C73-A81 HydrophobicContact CB-CB 4.32Å; C73-A81 WeakPolarHBondContact SG-CB 3.47Å; C73-I84 WeakPolarHBondContact SG-CG2 3.41Å; C73-I86 HydrophobicContact CB-CD1 3.59Å
74I97.4Very high96.7Very high46 Ų4652.3 Ų52.324%0.23627%0.267CS..  trans-95.6-0.6-173.463.6175.2000114.8D70 N94 K97D70-I74 VanDerWaalsContact O-CG2 3.24Å; D70-I74 WeakPolarHBondContact O-CG2 3.31Å; I74-N94 HydrophobicContact CD1-CB 4.05Å; I74-N94 HydrophobicContact CG1-CB 3.89Å; I74-K97 HydrophobicContact CD1-CB 4.23Å; I74-K97 HydrophobicContact CD1-CD 3.86Å; I74-K97 HydrophobicContact CD1-CG 4.15Å
75H96.4Very high96.7Very high73 Ų7355.2 Ų55.234%0.33829%0.285SS..SBendtrans-100.7-2-169.360.3-77.9000113.1L90 N94H75-L90 VanDerWaalsContact CE1-CD2 3.47Å; H75-L90 WeakPolarHBondContact CE1-CD2 3.39Å; H75-L90 WeakPolarHBondContact NE2-CD2 3.35Å; H75-N94 PolarHBondContact ND1-ND2 3.23Å
76V96.8Very high96.7Very high36 Ų3652.9 Ų52.922%0.21827%0.271CS..SBendtrans-130.5159.2179.1-67.30000112.2L80 A81 I84V76-L80 HydrophobicContact CB-CB 4.42Å; V76-L80 HydrophobicContact CG2-CB 4.42Å; V76-A81 HydrophobicContact CG2-CB 4.07Å; V76-I84 HydrophobicContact CG1-CD1 3.67Å; V76-I84 HydrophobicContact CG2-CD1 4.33Å; V76-I84 HydrophobicContact CG2-CG2 4.32Å
77P95.9Very high96.7Very high79 Ų7955.9 Ų55.951%0.51329%0.288SS..  trans-54.8143.7168.7-25.234.1000112.5Q79 L80 A81P77-Q79 PolarHBondContact O-N 3.37Å; P77-L80 PolarHBondContact O-N 3.13Å; P77-A81 PolarHBondContact O-N 3.11Å
78R93.4Very high96.6Very high175 Ų17556 Ų5666%0.6629%0.288SS*.Hα-helixtrans-53.9-32-176-169.9173.1-176.8171.42.5114Y69 L80 A81Y69-R78 HydrophobicContact CD1-CG 3.82Å; Y69-R78 HydrophobicContact CE1-CG 3.91Å; R78-L80 VanDerWaalsContact C-N 3.31Å; R78-L80 PolarHBondContact O-N 3.32Å; R78-A81 PolarHBondContact O-N 3.27Å
79Q92.4Very high96.4Very high156 Ų15660.9 Ų60.973%0.72932%0.315SS*.Hα-helixtrans-68.3-29.1178.9-63.179.84.200112.8P77P77-Q79 PolarHBondContact O-N 3.37Å
80L96.2Very high96.4Very high97 Ų9760.7 Ų60.751%0.50832%0.316SS..Hα-helixtrans-88.9-26178.6-62.9-179.2000112.4V76 P77 R78 T82 T83 I84V76-L80 HydrophobicContact CB-CB 4.42Å; V76-L80 HydrophobicContact CG2-CB 4.42Å; P77-L80 PolarHBondContact O-N 3.13Å; R78-L80 VanDerWaalsContact C-N 3.31Å; R78-L80 PolarHBondContact O-N 3.32Å; L80-T82 PolarHBondContact O-N 2.98Å; L80-T82 VanDerWaalsContact O-N 3.09Å; L80-T83 PolarHBondContact O-N 3.06Å; L80-T83 PolarHBondContact O-OG1 3.3Å; L80-I84 PolarHBondContact O-N 3.41Å
81A96.6Very high96.5Very high1 Ų157.1 Ų57.11%0.00830%0.297CS..Hα-helixtrans-57.2-27-176.900000113.6W68 Y69 C73 V76 P77 R78 T83W68-A81 WeakPolarHBondContact CZ2-O 3.18Å; W68-A81 PolarHBondContact NE1-O 3.33Å; Y69-A81 HydrophobicContact CD1-CB 3.68Å; Y69-A81 HydrophobicContact CE1-CB 3.57Å; C73-A81 HydrophobicContact CB-CB 4.32Å; C73-A81 WeakPolarHBondContact SG-CB 3.47Å; V76-A81 HydrophobicContact CG2-CB 4.07Å; P77-A81 PolarHBondContact O-N 3.11Å; R78-A81 PolarHBondContact O-N 3.27Å; A81-T83 VanDerWaalsContact C-N 3.32Å; A81-T83 PolarHBondContact O-N 3.45Å
82T95.5Very high96.5Very high64 Ų6458 Ų5839%0.39330%0.302SS..THydrogen-bonded Turntrans-72.5-21.7179.3-41.80000113.5V35 Y69 L80V35-T82 HydrophobicContact CG1-CG2 4.24Å; V35-T82 VanDerWaalsContact CG1-O 3.29Å; V35-T82 WeakPolarHBondContact CG1-O 3.49Å; Y69-T82 PolarHBondContact OH-OG1 3.24Å; L80-T82 PolarHBondContact O-N 2.98Å; L80-T82 VanDerWaalsContact O-N 3.09Å
83T95.3Very high96.5Very high104 Ų10463.7 Ų63.764%0.63833%0.328SS*.THydrogen-bonded Turntrans-120.8-0.6-172.257.30000113.7L80 A81L80-T83 PolarHBondContact O-N 3.06Å; L80-T83 PolarHBondContact O-OG1 3.3Å; A81-T83 VanDerWaalsContact C-N 3.32Å; A81-T83 PolarHBondContact O-N 3.45Å
84I97.1Very high96.5Very high46 Ų4663.7 Ų63.724%0.23633%0.328CS..  trans-86.6155.2-178.8-161.5165000111.6W68 C73 V76 L80W68-I84 HydrophobicContact CZ2-CG2 4.44Å; C73-I84 WeakPolarHBondContact SG-CG2 3.41Å; V76-I84 HydrophobicContact CG1-CD1 3.67Å; V76-I84 HydrophobicContact CG2-CD1 4.33Å; V76-I84 HydrophobicContact CG2-CG2 4.32Å; L80-I84 PolarHBondContact O-N 3.41Å
85T97.1Very high96.6Very high66 Ų6661.9 Ų61.941%0.40532%0.318SS..  trans-105.4139.6173.157.90000110.2Y32 L33 M34Y32-T85 VanDerWaalsContact CD2-CB 3.41Å; Y32-T85 HydrophobicContact CD2-CG2 3.3Å; Y32-T85 HydrophobicContact CE2-CG2 3.32Å; Y32-T85 HydrophobicContact CG-CG2 3.99Å; L33-T85 CarbonylContact O-C 3.57Å; L33-T85 WeakPolarHBondContact O-CA 3.42Å; M34-T85 HydrophobicContact CG-CG2 3.95Å; M34-T85 HydrophobicContact SD-CG2 4.2Å
86I98.1Very high96.6Very high0 Ų060.2 Ų60.20%031%0.312CS..EExtended strand (participates in β ladder)trans-119.7116.9-179.1-62.9174.8000109.1F22 Y32 L33 W68 I72 C73 L90 F91F22-I86 WeakPolarHBondContact CE2-O 3.5Å; Y32-I86 CarbonylContact C-O 3.56Å; Y32-I86 WeakPolarHBondContact CA-O 3.32Å; Y32-I86 WeakPolarHBondContact CB-O 3.47Å; L33-I86 PolarHBondContact N-O 2.92Å; L33-I86 PolarHBondContact O-N 3.22Å; W68-I86 HydrophobicContact CH2-CD1 3.58Å; W68-I86 HydrophobicContact CH2-CG1 4.1Å; W68-I86 HydrophobicContact CZ2-CD1 4.02Å; W68-I86 HydrophobicContact CZ3-CD1 3.98Å; I72-I86 HydrophobicContact CG2-CD1 3.65Å; I72-I86 WeakPolarHBondContact O-CD1 3.24Å; C73-I86 HydrophobicContact CB-CD1 3.59Å; I86-L90 HydrophobicContact CG2-CB 4.03Å; I86-L90 HydrophobicContact CG2-CD2 4.41Å; I86-L90 HydrophobicContact CG2-CG 4.13Å; I86-F91 HydrophobicContact CG2-CB 3.98Å
87N96.5Very high96.7Very high82 Ų8265 Ų6544%0.43933%0.33SS..EExtended strand (participates in β ladder)trans-76.7172.5175.469.422.7000111.9N89 L90 F91N87-N89 PolarHBondContact O-N 2.8Å; N87-N89 PolarHBondContact OD1-N 3.07Å; N87-L90 PolarHBondContact O-N 3.44Å; N87-L90 WeakPolarHBondContact OD1-CB 3.28Å; N87-L90 PolarHBondContact OD1-N 3.33Å; N87-F91 WeakPolarHBondContact O-CB 3.36Å; N87-F91 PolarHBondContact O-N 2.75Å
88E95.9Very high96.8Very high13 Ų1361.8 Ų61.86%0.06131%0.309CS..Hα-helixtrans-57.1-44.7-176-167.1-168.994.500113R19 F22 R23 L90 F91 I92 R193R19-E88 HydrophobicContact CG-CG 4.3Å; R19-E88 WeakPolarHBondContact CG-OE1 3.36Å; R19-E88 IonicContact NE-OE1 2.66Å; R19-E88 PolarHBondContact NE-OE1 2.91Å; F22-E88 HydrophobicContact CB-CG 4.22Å; F22-E88 HydrophobicContact CD1-CB 3.69Å; F22-E88 HydrophobicContact CD1-CG 3.61Å; F22-E88 HydrophobicContact CD2-CB 4.33Å; F22-E88 HydrophobicContact CD2-CG 4.47Å; F22-E88 HydrophobicContact CE1-CB 3.61Å; F22-E88 HydrophobicContact CE1-CG 4.08Å; F22-E88 HydrophobicContact CE2-CB 4.24Å; F22-E88 HydrophobicContact CG-CB 4.06Å; F22-E88 HydrophobicContact CG-CG 3.84Å; F22-E88 HydrophobicContact CZ-CB 3.89Å; F22-E88 VanDerWaalsContact CZ-N 3.26Å; R23-E88 IonicContact CZ-OE2 2.65Å; R23-E88 IonicContact NE-OE2 2.96Å; R23-E88 PolarHBondContact NE-OE2 3.14Å; R23-E88 VanDerWaalsContact NE-OE2 3.09Å; R23-E88 IonicContact NH2-OE2 3.24Å; R23-E88 PolarHBondContact NH2-OE2 3.34Å; E88-L90 PolarHBondContact O-N 2.86Å; E88-F91 WeakPolarHBondContact O-CB 3.42Å; E88-F91 PolarHBondContact O-N 3.42Å; E88-I92 HydrophobicContact CG-CD1 4.02Å; E88-I92 VanDerWaalsContact O-CG1 3.26Å; E88-I92 WeakPolarHBondContact O-CG1 3.19Å; E88-I92 PolarHBondContact O-N 3.34Å; E88-R193 VanDerWaalsContact CD-NH2 3.28Å; E88-R193 IonicContact OE1-CZ 3.65Å; E88-R193 IonicContact OE1-NH1 3.72Å; E88-R193 PolarHBondContact OE1-NH1 3.45Å; E88-R193 IonicContact OE1-NH2 2.65Å; E88-R193 PolarHBondContact OE1-NH2 3.26Å; E88-R193 IonicContact OE2-CZ 3.16Å; E88-R193 IonicContact OE2-NH2 3.11Å; E88-R193 PolarHBondContact OE2-NH2 2.92Å
89N95.1Very high97Very high105 Ų10553.5 Ų53.556%0.56128%0.278SS*.Hα-helixtrans-62.8-46.6-177.9-71.9-22.4000111.5N87 F91 I92 E93N87-N89 PolarHBondContact O-N 2.8Å; N87-N89 PolarHBondContact OD1-N 3.07Å; N89-F91 VanDerWaalsContact C-N 3.35Å; N89-I92 PolarHBondContact O-N 3.46Å; N89-E93 WeakPolarHBondContact O-CB 3.47Å; N89-E93 PolarHBondContact O-N 3.24Å
90L97.7Very high97.2Very high42 Ų4251.7 Ų51.722%0.2227%0.268CS..Hα-helixtrans-69.8-34179.8-172.455.8000111.9H75 I86 N87 E88 N94H75-L90 VanDerWaalsContact CE1-CD2 3.47Å; H75-L90 WeakPolarHBondContact CE1-CD2 3.39Å; H75-L90 WeakPolarHBondContact NE2-CD2 3.35Å; I86-L90 HydrophobicContact CG2-CB 4.03Å; I86-L90 HydrophobicContact CG2-CD2 4.41Å; I86-L90 HydrophobicContact CG2-CG 4.13Å; N87-L90 PolarHBondContact O-N 3.44Å; N87-L90 WeakPolarHBondContact OD1-CB 3.28Å; N87-L90 PolarHBondContact OD1-N 3.33Å; E88-L90 PolarHBondContact O-N 2.86Å; L90-N94 VanDerWaalsContact O-CB 3.27Å; L90-N94 WeakPolarHBondContact O-CB 3.4Å; L90-N94 PolarHBondContact O-N 3.28Å; L90-N94 PolarHBondContact O-ND2 3.09Å
91F98.5Very high97.2Very high3 Ų348.3 Ų48.31%0.01326%0.256CS..Hα-helixtrans-58.4-49.5171.2172.4-94.3000111.2M18 L21 F22 L25 L33 I72 I86 N87 E88 N89 L95M18-F91 HydrophobicContact CB-CE1 4.36Å; M18-F91 WeakPolarHBondContact O-CE1 3.5Å; L21-F91 HydrophobicContact CD2-CZ 3.98Å; L21-F91 HydrophobicContact CG-CZ 4.16Å; F22-F91 HydrophobicContact CB-CD1 3.84Å; F22-F91 HydrophobicContact CB-CE1 3.99Å; F22-F91 HydrophobicContact CB-CG 4.42Å; F22-F91 HydrophobicContact CD2-CB 3.7Å; F22-F91 AromaticContact CD2-CD1 3.98Å; F22-F91 HydrophobicContact CD2-CD1 3.98Å; F22-F91 HydrophobicContact CD2-CD2 4.23Å; F22-F91 AromaticContact CD2-CG 3.71Å; F22-F91 HydrophobicContact CD2-CG 3.71Å; F22-F91 HydrophobicContact CE2-CB 4.14Å; F22-F91 HydrophobicContact CG-CD1 4.36Å; L25-F91 HydrophobicContact CD1-CE2 4.4Å; L25-F91 HydrophobicContact CD1-CZ 4.48Å; L33-F91 HydrophobicContact CD1-CD2 3.86Å; L33-F91 HydrophobicContact CD1-CE2 4.02Å; I72-F91 HydrophobicContact CD1-CE2 4.04Å; I72-F91 HydrophobicContact CG1-CD2 4.25Å; I72-F91 HydrophobicContact CG1-CE2 3.96Å; I72-F91 HydrophobicContact CG2-CD2 3.95Å; I72-F91 HydrophobicContact CG2-CE2 4.43Å; I86-F91 HydrophobicContact CG2-CB 3.98Å; N87-F91 WeakPolarHBondContact O-CB 3.36Å; N87-F91 PolarHBondContact O-N 2.75Å; E88-F91 WeakPolarHBondContact O-CB 3.42Å; E88-F91 PolarHBondContact O-N 3.42Å; N89-F91 VanDerWaalsContact C-N 3.35Å; F91-L95 HydrophobicContact CE1-CD2 3.95Å; F91-L95 HydrophobicContact CZ-CD2 3.88Å; F91-L95 WeakPolarHBondContact O-CB 3.16Å; F91-L95 PolarHBondContact O-N 3.34Å
92I98Very high97.1Very high19 Ų1952.8 Ų52.810%0.09728%0.277CS..Hα-helixtrans-64.7-46.1-179.5-66.5167.4000111.1W14 M18 R19 E88 N89 L96W14-I92 HydrophobicContact CH2-CG2 4.26Å; W14-I92 HydrophobicContact CZ3-CG2 3.72Å; M18-I92 HydrophobicContact CB-CG1 4.01Å; R19-I92 HydrophobicContact CG-CD1 3.51Å; E88-I92 HydrophobicContact CG-CD1 4.02Å; E88-I92 VanDerWaalsContact O-CG1 3.26Å; E88-I92 WeakPolarHBondContact O-CG1 3.19Å; E88-I92 PolarHBondContact O-N 3.34Å; N89-I92 PolarHBondContact O-N 3.46Å; I92-L96 WeakPolarHBondContact O-CB 3.17Å; I92-L96 PolarHBondContact O-N 3.46Å
93E98.3Very high97.2Very high128 Ų12849.9 Ų49.960%0.59826%0.259SS*.Hα-helixtrans-60.4-49.5179.5-174.8-175.1156.800111.6N89 L96 K97N89-E93 WeakPolarHBondContact O-CB 3.47Å; N89-E93 PolarHBondContact O-N 3.24Å; E93-L96 PolarHBondContact O-N 2.84Å; E93-K97 WeakPolarHBondContact O-CB 3.35Å; E93-K97 PolarHBondContact O-N 3.33Å
94N98.5Very high97.2Very high3 Ų347 Ų472%0.01624%0.238CC..Hα-helixtrans-64.6-44.8-179.1-70.1-21.3000111.4V71 I72 I74 H75 L90 L96 K97 S98V71-N94 CarbonylContact O-C 3.58Å; I72-N94 WeakPolarHBondContact O-CB 3.32Å; I72-N94 PolarHBondContact O-ND2 3.09Å; I74-N94 HydrophobicContact CD1-CB 4.05Å; I74-N94 HydrophobicContact CG1-CB 3.89Å; H75-N94 PolarHBondContact ND1-ND2 3.23Å; L90-N94 VanDerWaalsContact O-CB 3.27Å; L90-N94 WeakPolarHBondContact O-CB 3.4Å; L90-N94 PolarHBondContact O-N 3.28Å; L90-N94 PolarHBondContact O-ND2 3.09Å; N94-L96 PolarHBondContact O-N 3.04Å; N94-K97 PolarHBondContact O-N 3.05Å; N94-S98 PolarHBondContact O-N 3.44Å; N94-S98 PolarHBondContact O-OG 3.47Å
95L98.4Very high97.1Very high7 Ų751.8 Ų51.84%0.03726%0.26CS..Hα-helixtrans-62.9-43.1178.7-175.655000111.5W14 M18 V71 F91 K97 S98 L99 L103 F172W14-L95 HydrophobicContact CZ2-CG 4.36Å; M18-L95 HydrophobicContact CG-CD2 4.13Å; M18-L95 HydrophobicContact SD-CD2 3.24Å; M18-L95 WeakPolarHBondContact SD-CD2 3.17Å; M18-L95 HydrophobicContact SD-CG 4.22Å; V71-L95 HydrophobicContact CG1-CD1 3.39Å; F91-L95 HydrophobicContact CE1-CD2 3.95Å; F91-L95 HydrophobicContact CZ-CD2 3.88Å; F91-L95 WeakPolarHBondContact O-CB 3.16Å; F91-L95 PolarHBondContact O-N 3.34Å; L95-K97 PolarHBondContact O-N 3.25Å; L95-S98 PolarHBondContact O-N 2.91Å; L95-L99 HydrophobicContact CD1-CD1 3.89Å; L95-L99 HydrophobicContact CD1-CG 4.11Å; L95-L99 HydrophobicContact CG-CD1 3.85Å; L95-L99 HydrophobicContact CG-CG 4.49Å; L95-L99 VanDerWaalsContact O-CB 3.23Å; L95-L99 WeakPolarHBondContact O-CB 3.23Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.37Å; L95-L103 HydrophobicContact CD1-CD2 4.31Å; L95-F172 HydrophobicContact CD2-CE1 4.37Å
96L98.4Very high97Very high39 Ų3950.8 Ų50.820%0.20425%0.252CS..Hα-helixtrans-61.7-43.6175.4-175.958.9000111.6V8 W14 I92 E93 N94 L99 K100V8-L96 HydrophobicContact CG1-CD1 3.81Å; W14-L96 HydrophobicContact CH2-CB 3.61Å; W14-L96 HydrophobicContact CH2-CD1 4.02Å; W14-L96 HydrophobicContact CH2-CG 4.34Å; W14-L96 HydrophobicContact CZ2-CB 4.38Å; W14-L96 HydrophobicContact CZ2-CD1 4.26Å; W14-L96 HydrophobicContact CZ3-CB 4.05Å; W14-L96 HydrophobicContact CZ3-CD1 4.16Å; W14-L96 HydrophobicContact CZ3-CG 4.47Å; I92-L96 WeakPolarHBondContact O-CB 3.17Å; I92-L96 PolarHBondContact O-N 3.46Å; E93-L96 PolarHBondContact O-N 2.84Å; N94-L96 PolarHBondContact O-N 3.04Å; L96-L99 PolarHBondContact O-N 2.94Å; L96-K100 HydrophobicContact CD1-CD 4.36Å; L96-K100 HydrophobicContact CG-CD 4.4Å; L96-K100 WeakPolarHBondContact O-CG 3.34Å; L96-K100 PolarHBondContact O-N 2.84Å
97K98.1Very high96.9Very high136 Ų13650.9 Ų50.959%0.59125%0.252SS*.Hα-helixtrans-62.2-46.1178.1-179.9175.4172.1-172.90111.5I74 E93 N94 L95 K100 G101I74-K97 HydrophobicContact CD1-CB 4.23Å; I74-K97 HydrophobicContact CD1-CD 3.86Å; I74-K97 HydrophobicContact CD1-CG 4.15Å; E93-K97 WeakPolarHBondContact O-CB 3.35Å; E93-K97 PolarHBondContact O-N 3.33Å; N94-K97 PolarHBondContact O-N 3.05Å; L95-K97 PolarHBondContact O-N 3.25Å; K97-K100 PolarHBondContact O-N 3.2Å; K97-G101 PolarHBondContact O-N 2.84Å
98S98Very high96.9Very high12 Ų1248.7 Ų48.78%0.08424%0.241CC..Hα-helixtrans-66.2-40177.4-710000112.2D70 N94 L95 K100 G101 L103D70-S98 PolarHBondContact O-OG 2.8Å; D70-S98 VanDerWaalsContact O-OG 3.09Å; N94-S98 PolarHBondContact O-N 3.44Å; N94-S98 PolarHBondContact O-OG 3.47Å; L95-S98 PolarHBondContact O-N 2.91Å; S98-K100 PolarHBondContact O-N 2.96Å; S98-G101 CarbonylContact O-C 3.58Å; S98-G101 VanDerWaalsContact O-C 3.28Å; S98-G101 WeakPolarHBondContact O-CA 2.97Å; S98-G101 PolarHBondContact O-N 2.83Å; S98-L103 WeakPolarHBondContact O-CB 3.37Å; S98-L103 PolarHBondContact O-N 3.49Å; S98-L103 VanDerWaalsContact O-N 3.14Å
99L97.6Very high96.9Very high1 Ų153.4 Ų53.41%0.00526%0.262CS..Hα-helixtrans-71.3-10.4175.8-76.3171.8000114.8V8 W14 L95 L96 L103 H104 F107 F172 I173V8-L99 HydrophobicContact CB-CB 4.47Å; V8-L99 HydrophobicContact CG1-CB 4.36Å; V8-L99 HydrophobicContact CG2-CB 4.13Å; W14-L99 HydrophobicContact CZ2-CD1 3.73Å; L95-L99 HydrophobicContact CD1-CD1 3.89Å; L95-L99 HydrophobicContact CD1-CG 4.11Å; L95-L99 HydrophobicContact CG-CD1 3.85Å; L95-L99 HydrophobicContact CG-CG 4.49Å; L95-L99 VanDerWaalsContact O-CB 3.23Å; L95-L99 WeakPolarHBondContact O-CB 3.23Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.37Å; L96-L99 PolarHBondContact O-N 2.94Å; L99-L103 HydrophobicContact CD2-CD2 3.5Å; L99-L103 HydrophobicContact CD2-CG 3.85Å; L99-L103 HydrophobicContact CG-CD2 3.88Å; L99-H104 VanDerWaalsContact O-CB 3.28Å; L99-H104 WeakPolarHBondContact O-CB 3.36Å; L99-H104 PolarHBondContact O-CD2 2.88Å; L99-F107 HydrophobicContact CD2-CD2 4.16Å; L99-F107 HydrophobicContact CD2-CE2 4.03Å; L99-F172 WeakPolarHBondContact CD1-O 3.48Å; L99-I173 HydrophobicContact CD2-CD1 3.69Å
100K96.6Very high96.9Very high118 Ų11851.8 Ų51.851%0.51325%0.25SS..THydrogen-bonded Turntrans-97.8-2.4166.2-72.7-179.1173179.90112.7V8 L96 K97 S98V8-K100 WeakPolarHBondContact O-CE 3.08Å; L96-K100 HydrophobicContact CD1-CD 4.36Å; L96-K100 HydrophobicContact CG-CD 4.4Å; L96-K100 WeakPolarHBondContact O-CG 3.34Å; L96-K100 PolarHBondContact O-N 2.84Å; K97-K100 PolarHBondContact O-N 3.2Å; S98-K100 PolarHBondContact O-N 2.96Å
101G95.7Very high96.8Very high25 Ų2550 Ų5026%0.25824%0.241SC..THydrogen-bonded Turntrans-127.3-127.3-17500000112K97 S98 L103 H104 Q105K97-G101 PolarHBondContact O-N 2.84Å; S98-G101 CarbonylContact O-C 3.58Å; S98-G101 VanDerWaalsContact O-C 3.28Å; S98-G101 WeakPolarHBondContact O-CA 2.97Å; S98-G101 PolarHBondContact O-N 2.83Å; G101-L103 VanDerWaalsContact C-N 3.34Å; G101-L103 PolarHBondContact O-N 2.66Å; G101-H104 WeakPolarHBondContact O-CB 3.15Å; G101-H104 PolarHBondContact O-N 3.34Å; G101-H104 VanDerWaalsContact O-N 3.11Å; G101-Q105 PolarHBondContact O-N 3.11Å
102E94.9Very high96.8Very high96 Ų9649.8 Ų49.845%0.44924%0.24SC..Hα-helixtrans-62.9-36.1-169.5-171.9174.8170.500113.8H104 Q105 N106 K110E102-H104 VanDerWaalsContact C-N 3.29Å; E102-H104 PolarHBondContact O-N 3.42Å; E102-Q105 PolarHBondContact O-N 2.85Å; E102-N106 PolarHBondContact O-N 3.18Å; E102-N106 PolarHBondContact O-ND2 3.35Å; E102-K110 IonicContact OE1-NZ 2.8Å; E102-K110 PolarHBondContact OE1-NZ 3.48Å
103L96.5Very high96.7Very high2 Ų251.7 Ų51.71%0.0125%0.248CC..Hα-helixtrans-68-30.9177.817862.4000111.5Y66 V71 L95 S98 L99 G101 N106 F107 F111Y66-L103 HydrophobicContact CE1-CD1 3.85Å; V71-L103 HydrophobicContact CB-CD2 4.42Å; V71-L103 HydrophobicContact CG1-CD2 3.64Å; V71-L103 HydrophobicContact CG2-CB 4.41Å; V71-L103 HydrophobicContact CG2-CD1 4.33Å; V71-L103 HydrophobicContact CG2-CD2 3.86Å; V71-L103 HydrophobicContact CG2-CG 4.44Å; L95-L103 HydrophobicContact CD1-CD2 4.31Å; S98-L103 WeakPolarHBondContact O-CB 3.37Å; S98-L103 PolarHBondContact O-N 3.49Å; S98-L103 VanDerWaalsContact O-N 3.14Å; L99-L103 HydrophobicContact CD2-CD2 3.5Å; L99-L103 HydrophobicContact CD2-CG 3.85Å; L99-L103 HydrophobicContact CG-CD2 3.88Å; G101-L103 VanDerWaalsContact C-N 3.34Å; G101-L103 PolarHBondContact O-N 2.66Å; L103-N106 CarbonylContact O-C 3.41Å; L103-F107 HydrophobicContact CD1-CD2 4.32Å; L103-F107 HydrophobicContact CG-CD2 4.25Å; L103-F107 WeakPolarHBondContact O-CA 3.29Å; L103-F107 VanDerWaalsContact O-CB 3.23Å; L103-F107 WeakPolarHBondContact O-CB 3.47Å; L103-F107 PolarHBondContact O-N 2.85Å; L103-F111 HydrophobicContact CD1-CB 3.99Å; L103-F111 HydrophobicContact CD1-CD1 4.22Å; L103-F111 HydrophobicContact CD1-CG 4.39Å
104H96.3Very high96.7Very high44 Ų4445.9 Ų45.920%0.20422%0.222CC..Hα-helixtrans-63.2-51172.9-167.5-92.4000110.8L5 P6 L99 G101 E102 N106 F107L5-H104 WeakPolarHBondContact CD1-O 3.41Å; L5-H104 PolarHBondContact O-CE1 3.28Å; P6-H104 PolarHBondContact O-NE2 3.18Å; L99-H104 VanDerWaalsContact O-CB 3.28Å; L99-H104 WeakPolarHBondContact O-CB 3.36Å; L99-H104 PolarHBondContact O-CD2 2.88Å; G101-H104 WeakPolarHBondContact O-CB 3.15Å; G101-H104 PolarHBondContact O-N 3.34Å; G101-H104 VanDerWaalsContact O-N 3.11Å; E102-H104 VanDerWaalsContact C-N 3.29Å; E102-H104 PolarHBondContact O-N 3.42Å; H104-N106 VanDerWaalsContact C-N 3.25Å; H104-N106 PolarHBondContact O-N 2.93Å; H104-F107 PolarHBondContact O-N 3.4Å
105Q94.1Very high96.6Very high147 Ų14745.9 Ų45.969%0.68722%0.222SC*.Hα-helixtrans-65.2-30.4-175.6-65.5175.42.900113G101 E102G101-Q105 PolarHBondContact O-N 3.11Å; E102-Q105 PolarHBondContact O-N 2.85Å
106N95Very high96.6Very high45 Ų4545.5 Ų45.524%0.24122%0.22CC..THydrogen-bonded Turntrans-119.226.9-176-53.9-90.4000112E102 L103 H104 N108 E109 K110E102-N106 PolarHBondContact O-N 3.18Å; E102-N106 PolarHBondContact O-ND2 3.35Å; L103-N106 CarbonylContact O-C 3.41Å; H104-N106 VanDerWaalsContact C-N 3.25Å; H104-N106 PolarHBondContact O-N 2.93Å; N106-N108 VanDerWaalsContact C-N 3.26Å; N106-N108 PolarHBondContact O-N 3.31Å; N106-E109 WeakPolarHBondContact CA-OE2 3.42Å; N106-E109 PolarHBondContact O-N 3.36Å; N106-K110 HydrophobicContact CB-CB 4.22Å; N106-K110 HydrophobicContact CB-CD 3.86Å; N106-K110 HydrophobicContact CB-CG 3.8Å; N106-K110 PolarHBondContact O-N 3.25Å
107F96.7Very high96.5Very high1 Ų145.5 Ų45.50%0.00422%0.22CC..Iπ-helixtrans-58.8-41.3-173-170-97.6000111.3L5 L99 L103 H104 F111 I112 L165 F168 I169 F172 I173L5-F107 HydrophobicContact CD1-CB 3.45Å; L5-F107 VanDerWaalsContact CD1-CB 3.45Å; L5-F107 HydrophobicContact CD1-CG 4.22Å; L5-F107 HydrophobicContact CD2-CB 4.4Å; L5-F107 HydrophobicContact CD2-CD1 4.07Å; L5-F107 HydrophobicContact CD2-CG 4.35Å; L99-F107 HydrophobicContact CD2-CD2 4.16Å; L99-F107 HydrophobicContact CD2-CE2 4.03Å; L103-F107 HydrophobicContact CD1-CD2 4.32Å; L103-F107 HydrophobicContact CG-CD2 4.25Å; L103-F107 WeakPolarHBondContact O-CA 3.29Å; L103-F107 VanDerWaalsContact O-CB 3.23Å; L103-F107 WeakPolarHBondContact O-CB 3.47Å; L103-F107 PolarHBondContact O-N 2.85Å; H104-F107 PolarHBondContact O-N 3.4Å; F107-F111 HydrophobicContact CD2-CD1 4.04Å; F107-F111 HydrophobicContact CE1-CD1 4.5Å; F107-F111 AromaticContact CE2-CD1 3.67Å; F107-F111 HydrophobicContact CE2-CD1 3.67Å; F107-F111 AromaticContact CE2-CE1 3.83Å; F107-F111 HydrophobicContact CE2-CE1 3.83Å; F107-F111 AromaticContact CZ-CD1 3.93Å; F107-F111 HydrophobicContact CZ-CD1 3.93Å; F107-F111 AromaticContact CZ-CE1 3.95Å; F107-F111 HydrophobicContact CZ-CE1 3.95Å; F107-F111 WeakPolarHBondContact O-CB 3.21Å; F107-I112 HydrophobicContact CD1-CD1 4.4Å; F107-I112 HydrophobicContact CD1-CG1 3.7Å; F107-I112 HydrophobicContact CE1-CD1 3.76Å; F107-I112 HydrophobicContact CE1-CG1 3.48Å; F107-I112 VanDerWaalsContact CE1-CG1 3.48Å; F107-I112 HydrophobicContact CZ-CD1 4.08Å; F107-I112 HydrophobicContact CZ-CG1 4.27Å; F107-I112 WeakPolarHBondContact O-CG1 3.37Å; F107-I112 PolarHBondContact O-N 3.16Å; F107-I112 VanDerWaalsContact O-N 3.11Å; F107-L165 HydrophobicContact CD1-CD1 3.97Å; F107-L165 HydrophobicContact CE1-CD1 4.14Å; F107-F168 HydrophobicContact CE1-CB 4.12Å; F107-F168 HydrophobicContact CZ-CB 4.12Å; F107-I169 HydrophobicContact CD1-CG1 4.29Å; F107-I169 HydrophobicContact CE1-CG1 3.95Å; F107-F172 HydrophobicContact CE2-CB 3.99Å; F107-F172 HydrophobicContact CZ-CB 4.01Å; F107-F172 HydrophobicContact CZ-CD2 4.42Å; F107-I173 HydrophobicContact CD2-CD1 4.14Å; F107-I173 HydrophobicContact CE2-CD1 3.96Å; F107-I173 HydrophobicContact CE2-CG1 4.35Å; F107-I173 HydrophobicContact CZ-CD1 4.49Å; F107-I173 HydrophobicContact CZ-CG1 4.39Å
108N96.3Very high96.5Very high37 Ų3739 Ų3920%0.19819%0.192CC..Iπ-helixtrans-73.6-53.2176.2-17966000111N106 K110 I112 E113 L165N106-N108 VanDerWaalsContact C-N 3.26Å; N106-N108 PolarHBondContact O-N 3.31Å; N108-K110 PolarHBondContact O-N 2.98Å; N108-I112 PolarHBondContact O-N 2.69Å; N108-E113 PolarHBondContact ND2-OE2 2.89Å; N108-E113 VanDerWaalsContact O-CB 3.28Å; N108-E113 WeakPolarHBondContact O-CB 3.32Å; N108-E113 PolarHBondContact O-N 3.27Å; N108-L165 HydrophobicContact CB-CD1 4.46Å
109E95.6Very high96.4Very high111 Ų11138.4 Ų38.452%0.51919%0.188SC..Iπ-helixtrans-67.4-40.1-169.8-62.68518000114.1N106 P114N106-E109 WeakPolarHBondContact CA-OE2 3.42Å; N106-E109 PolarHBondContact O-N 3.36Å; E109-P114 VanDerWaalsContact O-CD 3.31Å; E109-P114 WeakPolarHBondContact O-CD 3.39Å; E109-P114 WeakPolarHBondContact O-CG 3.34Å
110K95.4Very high96.4Very high71 Ų7138.4 Ų38.431%0.30919%0.188SC..Iπ-helixtrans-94.7-18.3-174.7-70.5-171.1178.6-1660114T63 Y66 E102 N106 N108T63-K110 PolarHBondContact OG1-O 2.88Å; Y66-K110 HydrophobicContact CD1-CB 3.99Å; Y66-K110 HydrophobicContact CD2-CD 4.19Å; Y66-K110 HydrophobicContact CE1-CB 3.55Å; Y66-K110 HydrophobicContact CE1-CD 4.23Å; Y66-K110 HydrophobicContact CE2-CB 4.39Å; Y66-K110 HydrophobicContact CE2-CD 3.57Å; E102-K110 IonicContact OE1-NZ 2.8Å; E102-K110 PolarHBondContact OE1-NZ 3.48Å; N106-K110 HydrophobicContact CB-CB 4.22Å; N106-K110 HydrophobicContact CB-CD 3.86Å; N106-K110 HydrophobicContact CB-CG 3.8Å; N106-K110 PolarHBondContact O-N 3.25Å; N108-K110 PolarHBondContact O-N 2.98Å
111F96.7Very high96.2Very high4 Ų435.1 Ų35.12%0.01817%0.174CC..Iπ-helixtrans-123.5-62.8-171.4177.8-145.4000112.7T63 L67 L103 F107 L115 W139 F172T63-F111 HydrophobicContact CG2-CD2 4.16Å; L67-F111 HydrophobicContact CD1-CD2 4.2Å; L67-F111 HydrophobicContact CD1-CE2 3.82Å; L67-F111 HydrophobicContact CD2-CD2 3.79Å; L67-F111 HydrophobicContact CD2-CE2 3.67Å; L67-F111 HydrophobicContact CD2-CG 4.41Å; L67-F111 HydrophobicContact CD2-CZ 4.2Å; L67-F111 HydrophobicContact CG-CD2 4.31Å; L67-F111 HydrophobicContact CG-CE2 4.26Å; L103-F111 HydrophobicContact CD1-CB 3.99Å; L103-F111 HydrophobicContact CD1-CD1 4.22Å; L103-F111 HydrophobicContact CD1-CG 4.39Å; F107-F111 HydrophobicContact CD2-CD1 4.04Å; F107-F111 HydrophobicContact CE1-CD1 4.5Å; F107-F111 AromaticContact CE2-CD1 3.67Å; F107-F111 HydrophobicContact CE2-CD1 3.67Å; F107-F111 AromaticContact CE2-CE1 3.83Å; F107-F111 HydrophobicContact CE2-CE1 3.83Å; F107-F111 AromaticContact CZ-CD1 3.93Å; F107-F111 HydrophobicContact CZ-CD1 3.93Å; F107-F111 AromaticContact CZ-CE1 3.95Å; F107-F111 HydrophobicContact CZ-CE1 3.95Å; F107-F111 WeakPolarHBondContact O-CB 3.21Å; F111-L115 HydrophobicContact CD2-CD1 3.8Å; F111-L115 HydrophobicContact CE2-CD1 3.67Å; F111-L115 VanDerWaalsContact O-CG 3.25Å; F111-L115 WeakPolarHBondContact O-CG 3.49Å; F111-W139 AromaticContact CE2-CH2 3.46Å; F111-W139 HydrophobicContact CE2-CH2 3.46Å; F111-W139 VanDerWaalsContact CE2-CH2 3.46Å; F111-W139 HydrophobicContact CE2-CZ2 4.25Å; F111-W139 HydrophobicContact CE2-CZ3 4.28Å; F111-W139 AromaticContact CZ-CH2 3.55Å; F111-W139 HydrophobicContact CZ-CH2 3.55Å; F111-W139 HydrophobicContact CZ-CZ2 4.31Å; F111-W139 HydrophobicContact CZ-CZ3 4.49Å; F111-F172 AromaticContact CE1-CD2 3.98Å; F111-F172 HydrophobicContact CE1-CD2 3.98Å; F111-F172 HydrophobicContact CE1-CE2 4.02Å; F111-F172 HydrophobicContact CE1-CG 4.5Å; F111-F172 HydrophobicContact CZ-CD2 4.28Å; F111-F172 AromaticContact CZ-CE2 3.83Å; F111-F172 HydrophobicContact CZ-CE2 3.83Å; F111-F172 HydrophobicContact CZ-CZ 4.16Å
112I97.4Very high96.1Very high0 Ų038.8 Ų38.80%019%0.188CC..Iπ-helixtrans-75.7-46.5-171.4-57.1-47.5000113.3F107 N108 L115 F116 F164 L165 F168F107-I112 HydrophobicContact CD1-CD1 4.4Å; F107-I112 HydrophobicContact CD1-CG1 3.7Å; F107-I112 HydrophobicContact CE1-CD1 3.76Å; F107-I112 HydrophobicContact CE1-CG1 3.48Å; F107-I112 VanDerWaalsContact CE1-CG1 3.48Å; F107-I112 HydrophobicContact CZ-CD1 4.08Å; F107-I112 HydrophobicContact CZ-CG1 4.27Å; F107-I112 WeakPolarHBondContact O-CG1 3.37Å; F107-I112 PolarHBondContact O-N 3.16Å; F107-I112 VanDerWaalsContact O-N 3.11Å; N108-I112 PolarHBondContact O-N 2.69Å; I112-L115 PolarHBondContact O-N 3.5Å; I112-F116 WeakPolarHBondContact O-CB 3.23Å; I112-F116 PolarHBondContact O-N 3.3Å; I112-F164 HydrophobicContact CG2-CD1 3.52Å; I112-F164 HydrophobicContact CG2-CE1 3.72Å; I112-L165 HydrophobicContact CB-CD1 4.07Å; I112-L165 HydrophobicContact CG1-CD1 3.77Å; I112-L165 HydrophobicContact CG2-CB 4.12Å; I112-L165 HydrophobicContact CG2-CD1 3.97Å; I112-F168 HydrophobicContact CD1-CB 3.39Å; I112-F168 HydrophobicContact CD1-CD1 4.26Å; I112-F168 HydrophobicContact CD1-CD2 3.87Å; I112-F168 HydrophobicContact CD1-CG 3.57Å; I112-F168 HydrophobicContact CG1-CB 4.25Å
113E97Very high96.1Very high58 Ų5837.8 Ų37.827%0.27119%0.185SC..Hα-helixtrans-63.8-45-176.7170.2160.6-159.400113.6N108 L115 F116 N117 K161N108-E113 PolarHBondContact ND2-OE2 2.89Å; N108-E113 VanDerWaalsContact O-CB 3.28Å; N108-E113 WeakPolarHBondContact O-CB 3.32Å; N108-E113 PolarHBondContact O-N 3.27Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 2.91Å; E113-F116 PolarHBondContact O-N 3.21Å; E113-N117 WeakPolarHBondContact CG-ND2 3.47Å; E113-N117 WeakPolarHBondContact O-CB 2.99Å; E113-N117 PolarHBondContact O-N 3.2Å; E113-N117 PolarHBondContact O-ND2 2.73Å; E113-K161 IonicContact OE1-NZ 2.82Å; E113-K161 PolarHBondContact OE1-NZ 3Å; E113-K161 IonicContact OE2-NZ 2.61Å; E113-K161 PolarHBondContact OE2-NZ 2.73Å
114P97.1Very high96.1Very high6 Ų640.2 Ų40.24%0.03920%0.198CC..Hα-helixtrans-59.5-41.1173.2-28.237.3000113.1E59 T63 E109 N117 S118E59-P114 HydrophobicContact CB-CB 4.37Å; T63-P114 WeakPolarHBondContact OG1-CB 3.31Å; T63-P114 WeakPolarHBondContact OG1-CG 3.42Å; E109-P114 VanDerWaalsContact O-CD 3.31Å; E109-P114 WeakPolarHBondContact O-CD 3.39Å; E109-P114 WeakPolarHBondContact O-CG 3.34Å; P114-N117 PolarHBondContact O-N 2.93Å; P114-S118 VanDerWaalsContact O-CB 3.25Å; P114-S118 WeakPolarHBondContact O-CB 3.39Å; P114-S118 PolarHBondContact O-N 3.44Å; P114-S118 PolarHBondContact O-OG 2.9Å
115L97.5Very high96.1Very high3 Ų342.8 Ų42.82%0.01621%0.211CC..Hα-helixtrans-63.1-45.3176.4-71.3176.9000111.3L60 T63 F111 I112 E113 S118 I119 L135 W139 F164L60-L115 HydrophobicContact CD1-CD2 3.78Å; T63-L115 HydrophobicContact CG2-CD2 4.16Å; T63-L115 HydrophobicContact CG2-CG 4.08Å; F111-L115 HydrophobicContact CD2-CD1 3.8Å; F111-L115 HydrophobicContact CE2-CD1 3.67Å; F111-L115 VanDerWaalsContact O-CG 3.25Å; F111-L115 WeakPolarHBondContact O-CG 3.49Å; I112-L115 PolarHBondContact O-N 3.5Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 2.91Å; L115-S118 PolarHBondContact O-N 2.86Å; L115-S118 PolarHBondContact O-OG 3.42Å; L115-I119 WeakPolarHBondContact O-CG2 3.37Å; L115-I119 PolarHBondContact O-N 3.4Å; L115-L135 HydrophobicContact CD2-CD1 4.28Å; L115-W139 HydrophobicContact CD1-CH2 4.16Å; L115-W139 HydrophobicContact CD1-CZ3 3.73Å; L115-F164 HydrophobicContact CB-CE1 4.4Å; L115-F164 HydrophobicContact CB-CZ 4.37Å
116F98Very high96.3Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-58-53.4176.3-175.6-80.5000111.1I112 E113 S118 I119 D120 Q125 I127 K161 F164I112-F116 WeakPolarHBondContact O-CB 3.23Å; I112-F116 PolarHBondContact O-N 3.3Å; E113-F116 PolarHBondContact O-N 3.21Å; F116-S118 PolarHBondContact O-N 2.84Å; F116-I119 PolarHBondContact O-N 3.11Å; F116-I119 VanDerWaalsContact O-N 3.17Å; F116-D120 HydrophobicContact CE1-CB 4.17Å; F116-D120 WeakPolarHBondContact O-CB 3.28Å; F116-D120 PolarHBondContact O-N 2.83Å; F116-Q125 WeakPolarHBondContact CZ-O 3.46Å; F116-I127 HydrophobicContact CD2-CD1 3.29Å; F116-I127 HydrophobicContact CD2-CG1 3.99Å; F116-I127 HydrophobicContact CE2-CD1 3.45Å; F116-I127 VanDerWaalsContact CE2-CD1 3.45Å; F116-I127 HydrophobicContact CE2-CG1 3.64Å; F116-I127 HydrophobicContact CG-CD1 3.99Å; F116-I127 HydrophobicContact CZ-CD1 4.24Å; F116-I127 HydrophobicContact CZ-CG1 4.01Å; F116-K161 HydrophobicContact CD2-CB 4.24Å; F116-K161 HydrophobicContact CD2-CG 4.39Å; F116-K161 HydrophobicContact CE1-CB 4.42Å; F116-K161 HydrophobicContact CE2-CB 3.99Å; F116-K161 HydrophobicContact CG-CG 4.4Å; F116-K161 HydrophobicContact CZ-CB 4.1Å; F116-F164 HydrophobicContact CB-CD1 4.08Å; F116-F164 HydrophobicContact CB-CE1 4.01Å; F116-F164 HydrophobicContact CD2-CB 3.91Å; F116-F164 AromaticContact CD2-CD1 3.83Å; F116-F164 HydrophobicContact CD2-CD1 3.83Å; F116-F164 HydrophobicContact CD2-CD2 4.41Å; F116-F164 HydrophobicContact CD2-CE1 4.43Å; F116-F164 AromaticContact CD2-CG 3.82Å; F116-F164 HydrophobicContact CD2-CG 3.82Å; F116-F164 HydrophobicContact CE2-CB 4.24Å; F116-F164 HydrophobicContact CG-CD1 4.47Å
117N96.9Very high96.4Very high38 Ų3836.2 Ų36.220%0.20318%0.18CC..Hα-helixtrans-63.5-30.9-178.8-68.7-19.9000112.4K56 E113 P114K56-N117 WeakPolarHBondContact CD-O 3.48Å; K56-N117 WeakPolarHBondContact CE-O 3.46Å; K56-N117 WeakPolarHBondContact CG-O 3.49Å; E113-N117 WeakPolarHBondContact CG-ND2 3.47Å; E113-N117 WeakPolarHBondContact O-CB 2.99Å; E113-N117 PolarHBondContact O-N 3.2Å; E113-N117 PolarHBondContact O-ND2 2.73Å; P114-N117 PolarHBondContact O-N 2.93Å
118S96.5Very high96.5Very high0 Ų039.2 Ų39.20%020%0.195CC..Hα-helixtrans-70.8-32.1178.476.30000112.9M52 P114 L115 F116 Q121M52-S118 WeakPolarHBondContact CE-O 3.27Å; P114-S118 VanDerWaalsContact O-CB 3.25Å; P114-S118 WeakPolarHBondContact O-CB 3.39Å; P114-S118 PolarHBondContact O-N 3.44Å; P114-S118 PolarHBondContact O-OG 2.9Å; L115-S118 PolarHBondContact O-N 2.86Å; L115-S118 PolarHBondContact O-OG 3.42Å; F116-S118 PolarHBondContact O-N 2.84Å; S118-Q121 PolarHBondContact O-NE2 3.46Å
119I96.8Very high96.5Very high0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-101.3-33-171-157.769.8000114L45 Y49 L115 F116 Q121 I127 E131 L135L45-I119 HydrophobicContact CD2-CD1 3.68Å; Y49-I119 HydrophobicContact CD2-CD1 4.29Å; Y49-I119 HydrophobicContact CE2-CD1 3.58Å; L115-I119 WeakPolarHBondContact O-CG2 3.37Å; L115-I119 PolarHBondContact O-N 3.4Å; F116-I119 PolarHBondContact O-N 3.11Å; F116-I119 VanDerWaalsContact O-N 3.17Å; I119-Q121 WeakPolarHBondContact O-CG 3.47Å; I119-Q121 PolarHBondContact O-N 2.78Å; I119-Q121 PolarHBondContact O-NE2 3.24Å; I119-I127 HydrophobicContact CG2-CD1 3.42Å; I119-I127 VanDerWaalsContact CG2-CD1 3.42Å; I119-I127 HydrophobicContact CG2-CG1 3.89Å; I119-E131 HydrophobicContact CG1-CB 3.94Å; I119-E131 VanDerWaalsContact CG1-O 3.27Å; I119-E131 WeakPolarHBondContact CG1-O 3.22Å; I119-L135 HydrophobicContact CD1-CB 4.04Å; I119-L135 HydrophobicContact CG1-CB 3.96Å; I119-L135 HydrophobicContact CG2-CD2 4.33Å
120D96.8Very high96.5Very high1 Ų137 Ų371%0.00520%0.195CC..  trans-56.4101.3165.3166.30000106.7K56 F116 D122 N123 D124 Q125 I127K56-D120 WeakPolarHBondContact CE-O 3.32Å; K56-D120 PolarHBondContact NZ-O 3.49Å; F116-D120 HydrophobicContact CE1-CB 4.17Å; F116-D120 WeakPolarHBondContact O-CB 3.28Å; F116-D120 PolarHBondContact O-N 2.83Å; D120-D122 PolarHBondContact OD1-N 2.89Å; D120-N123 WeakPolarHBondContact OD1-CA 3.27Å; D120-N123 PolarHBondContact OD1-N 2.94Å; D120-N123 WeakPolarHBondContact OD2-CA 3.44Å; D120-D124 PolarHBondContact OD1-N 3.24Å; D120-Q125 WeakPolarHBondContact OD2-CA 3.47Å; D120-Q125 PolarHBondContact OD2-N 2.91Å; D120-I127 HydrophobicContact CB-CG1 4.45Å
121Q93.3Very high96.6Very high48 Ų4834.1 Ų34.122%0.22418%0.183CC..SBendtrans-83.1-31.6-172.7-70.7-49.3-68.800112.6Y49 K56 S118 I119 E131Y49-Q121 HydrophobicContact CD1-CG 3.68Å; Y49-Q121 HydrophobicContact CE1-CG 3.59Å; Y49-Q121 HydrophobicContact CG-CG 4.42Å; K56-Q121 PolarHBondContact NZ-O 3.18Å; S118-Q121 PolarHBondContact O-NE2 3.46Å; I119-Q121 WeakPolarHBondContact O-CG 3.47Å; I119-Q121 PolarHBondContact O-N 2.78Å; I119-Q121 PolarHBondContact O-NE2 3.24Å; Q121-E131 PolarHBondContact N-OE1 3.32Å
122D93.5Very high96.6Very high102 Ų10233.9 Ų33.955%0.54518%0.182SC..SBendtrans-94.7-2.2-174.569.58.3000114.3D120 D124D120-D122 PolarHBondContact OD1-N 2.89Å; D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 WeakPolarHBondContact OD1-CB 3.34Å; D122-D124 PolarHBondContact OD1-N 3.32Å; D122-D124 VanDerWaalsContact OD1-N 3.11Å
123N94Very high96.6Very high75 Ų7536.2 Ų36.240%0.40119%0.193SC..  trans62.230.3-179-60.4-54.2000113.7Y55 K56 D120 Q125Y55-N123 PolarHBondContact OH-ND2 3.27Å; Y55-N123 PolarHBondContact OH-OD1 3.49Å; K56-N123 WeakPolarHBondContact CE-OD1 3.36Å; K56-N123 PolarHBondContact NZ-OD1 2.6Å; D120-N123 WeakPolarHBondContact OD1-CA 3.27Å; D120-N123 PolarHBondContact OD1-N 2.94Å; D120-N123 WeakPolarHBondContact OD2-CA 3.44Å; N123-Q125 PolarHBondContact O-N 3.28Å
124D96.2Very high96.6Very high53 Ų5334.3 Ų34.328%0.28319%0.185SC..SBendtrans-83.62.7176.583.9-10.7000113.6D120 D122 L126 K158D120-D124 PolarHBondContact OD1-N 3.24Å; D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 WeakPolarHBondContact OD1-CB 3.34Å; D122-D124 PolarHBondContact OD1-N 3.32Å; D122-D124 VanDerWaalsContact OD1-N 3.11Å; D124-L126 PolarHBondContact O-N 3.46Å; D124-L126 VanDerWaalsContact OD1-CA 3.31Å; D124-L126 WeakPolarHBondContact OD1-CA 3.48Å; D124-L126 WeakPolarHBondContact OD1-CB 3.44Å; D124-L126 PolarHBondContact OD1-N 3.41Å; D124-L126 VanDerWaalsContact OD1-O 3.07Å; D124-K158 IonicContact OD2-NZ 3.82Å; D124-K158 PolarHBondContact OD2-NZ 3.02Å
125Q97Very high96.6Very high99 Ų9934 Ų3446%0.46318%0.183SC..SBendtrans63.525.8-177-59.6-68.2-70.400113.2F116 D120 N123F116-Q125 WeakPolarHBondContact CZ-O 3.46Å; D120-Q125 WeakPolarHBondContact OD2-CA 3.47Å; D120-Q125 PolarHBondContact OD2-N 2.91Å; N123-Q125 PolarHBondContact O-N 3.28Å
126L98.1Very high96.6Very high54 Ų5433.9 Ų33.928%0.28318%0.183SC..EExtended strand (participates in β ladder)trans-135.4156.3175-57.2167.4000109.5D124 K158 L159D124-L126 PolarHBondContact O-N 3.46Å; D124-L126 VanDerWaalsContact OD1-CA 3.31Å; D124-L126 WeakPolarHBondContact OD1-CA 3.48Å; D124-L126 WeakPolarHBondContact OD1-CB 3.44Å; D124-L126 PolarHBondContact OD1-N 3.41Å; D124-L126 VanDerWaalsContact OD1-O 3.07Å; L126-K158 HydrophobicContact CB-CB 4.07Å; L126-K158 HydrophobicContact CB-CD 3.9Å; L126-K158 HydrophobicContact CB-CG 4.45Å; L126-K158 HydrophobicContact CD1-CB 4.2Å; L126-K158 HydrophobicContact CD1-CD 3.4Å; L126-K158 HydrophobicContact CD1-CG 4.43Å; L126-K158 HydrophobicContact CD2-CB 4.46Å; L126-K158 HydrophobicContact CG-CB 4.48Å; L126-K158 HydrophobicContact CG-CD 4.23Å; L126-L159 CarbonylContact C-O 3.28Å; L126-L159 WeakPolarHBondContact CA-O 3.36Å
127I98.2Very high96.5Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-115.3126.1175.9-69.7171.6000109F116 I119 D120 E131 F132 F150 K158 L159 F164F116-I127 HydrophobicContact CD2-CD1 3.29Å; F116-I127 HydrophobicContact CD2-CG1 3.99Å; F116-I127 HydrophobicContact CE2-CD1 3.45Å; F116-I127 VanDerWaalsContact CE2-CD1 3.45Å; F116-I127 HydrophobicContact CE2-CG1 3.64Å; F116-I127 HydrophobicContact CG-CD1 3.99Å; F116-I127 HydrophobicContact CZ-CD1 4.24Å; F116-I127 HydrophobicContact CZ-CG1 4.01Å; I119-I127 HydrophobicContact CG2-CD1 3.42Å; I119-I127 VanDerWaalsContact CG2-CD1 3.42Å; I119-I127 HydrophobicContact CG2-CG1 3.89Å; D120-I127 HydrophobicContact CB-CG1 4.45Å; I127-E131 WeakPolarHBondContact CA-OE2 3.39Å; I127-E131 HydrophobicContact CG2-CB 3.79Å; I127-F132 HydrophobicContact CG2-CB 3.78Å; I127-F150 WeakPolarHBondContact O-CE2 3.38Å; I127-K158 WeakPolarHBondContact O-CA 3.46Å; I127-L159 HydrophobicContact CB-CB 4.09Å; I127-L159 PolarHBondContact N-O 3.11Å; I127-L159 PolarHBondContact O-N 3.22Å; I127-F164 HydrophobicContact CD1-CD2 3.61Å; I127-F164 HydrophobicContact CD1-CE2 3.68Å; I127-F164 HydrophobicContact CD1-CG 4.16Å; I127-F164 HydrophobicContact CD1-CZ 4.31Å
128I97.2Very high96.5Very high64 Ų6435.3 Ų35.333%0.32819%0.19SC..  trans-84.716917262.6167.4000111.5S130 E131 F132 F150 K158I128-S130 VanDerWaalsContact C-N 3.35Å; I128-S130 VanDerWaalsContact CD1-OG 3.27Å; I128-S130 WeakPolarHBondContact CD1-OG 3.25Å; I128-S130 PolarHBondContact O-N 3.45Å; I128-E131 HydrophobicContact CD1-CG 4.47Å; I128-E131 HydrophobicContact CG1-CB 4.16Å; I128-E131 HydrophobicContact CG1-CG 3.73Å; I128-E131 WeakPolarHBondContact CG1-OE2 3.18Å; I128-E131 PolarHBondContact N-OE2 3.18Å; I128-E131 WeakPolarHBondContact O-CB 2.92Å; I128-E131 PolarHBondContact O-N 3.28Å; I128-F132 PolarHBondContact O-N 3.48Å; I128-F150 VanDerWaalsContact C-CE2 3.47Å; I128-K158 HydrophobicContact CG2-CG 4.28Å
129S97Very high96.5Very high39 Ų3935.9 Ų35.927%0.27319%0.192SC..Hα-helixtrans-59.7-41.1-174.3-176.50000113.4E131 F132 Q133S129-E131 PolarHBondContact O-N 3.33Å; S129-F132 PolarHBondContact O-N 3.28Å; S129-Q133 WeakPolarHBondContact O-CB 3.43Å; S129-Q133 VanDerWaalsContact O-CG 3.28Å; S129-Q133 WeakPolarHBondContact O-CG 3.35Å; S129-Q133 PolarHBondContact O-N 3.47Å
130S96Very high96.5Very high62 Ų6237 Ų3743%0.43420%0.197SC..Hα-helixtrans-67.3-35.6179.752.60000112.6I128 S134I128-S130 VanDerWaalsContact C-N 3.35Å; I128-S130 VanDerWaalsContact CD1-OG 3.27Å; I128-S130 WeakPolarHBondContact CD1-OG 3.25Å; I128-S130 PolarHBondContact O-N 3.45Å; S130-S134 VanDerWaalsContact O-CB 3.3Å; S130-S134 WeakPolarHBondContact O-CB 3.17Å; S130-S134 PolarHBondContact O-N 3.17Å; S130-S134 PolarHBondContact O-OG 3.21Å
131E97.3Very high96.4Very high10 Ų1037.1 Ų37.15%0.04720%0.198CC..Hα-helixtrans-65.3-51.8175-74173.7156.100110.6I119 Q121 I127 I128 S129 Q133 S134 L135I119-E131 HydrophobicContact CG1-CB 3.94Å; I119-E131 VanDerWaalsContact CG1-O 3.27Å; I119-E131 WeakPolarHBondContact CG1-O 3.22Å; Q121-E131 PolarHBondContact N-OE1 3.32Å; I127-E131 WeakPolarHBondContact CA-OE2 3.39Å; I127-E131 HydrophobicContact CG2-CB 3.79Å; I128-E131 HydrophobicContact CD1-CG 4.47Å; I128-E131 HydrophobicContact CG1-CB 4.16Å; I128-E131 HydrophobicContact CG1-CG 3.73Å; I128-E131 WeakPolarHBondContact CG1-OE2 3.18Å; I128-E131 PolarHBondContact N-OE2 3.18Å; I128-E131 WeakPolarHBondContact O-CB 2.92Å; I128-E131 PolarHBondContact O-N 3.28Å; S129-E131 PolarHBondContact O-N 3.33Å; E131-Q133 VanDerWaalsContact C-N 3.34Å; E131-Q133 PolarHBondContact O-N 3.22Å; E131-S134 PolarHBondContact O-N 2.95Å; E131-S134 VanDerWaalsContact O-N 3.15Å; E131-L135 PolarHBondContact O-N 3.03Å
132F97.7Very high96.3Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-57.3-46.7176.5-175.2-106000111.9I127 I128 S129 S134 L135 M136 C146 I149 F150 L159 F164 I167 L184I127-F132 HydrophobicContact CG2-CB 3.78Å; I128-F132 PolarHBondContact O-N 3.48Å; S129-F132 PolarHBondContact O-N 3.28Å; F132-S134 PolarHBondContact O-N 3.49Å; F132-L135 PolarHBondContact O-N 3.14Å; F132-M136 HydrophobicContact CD1-CG 4.21Å; F132-M136 HydrophobicContact CD2-CG 4.21Å; F132-M136 HydrophobicContact CE1-CG 3.86Å; F132-M136 HydrophobicContact CE2-CG 3.85Å; F132-M136 HydrophobicContact CE2-SD 4.26Å; F132-M136 HydrophobicContact CG-CG 4.39Å; F132-M136 HydrophobicContact CZ-CG 3.66Å; F132-M136 HydrophobicContact CZ-SD 4.31Å; F132-M136 WeakPolarHBondContact O-CB 3.47Å; F132-M136 VanDerWaalsContact O-CG 3.32Å; F132-M136 WeakPolarHBondContact O-CG 3.5Å; F132-M136 PolarHBondContact O-N 3.11Å; F132-C146 HydrophobicContact CE1-CB 4.41Å; F132-I149 HydrophobicContact CE1-CG2 4.44Å; F132-I149 HydrophobicContact CZ-CG2 4.25Å; F132-F150 HydrophobicContact CB-CD2 3.62Å; F132-F150 HydrophobicContact CB-CE2 4.07Å; F132-F150 HydrophobicContact CD1-CB 3.84Å; F132-F150 AromaticContact CD1-CD2 3.9Å; F132-F150 HydrophobicContact CD1-CD2 3.9Å; F132-F150 HydrophobicContact CD1-CG 4.35Å; F132-F150 HydrophobicContact CE1-CB 4.21Å; F132-F150 AromaticContact CG-CD2 3.83Å; F132-F150 HydrophobicContact CG-CD2 3.83Å; F132-L159 HydrophobicContact CB-CD1 4.24Å; F132-L159 HydrophobicContact CD2-CD1 3.58Å; F132-L159 HydrophobicContact CE2-CD1 4.03Å; F132-L159 HydrophobicContact CG-CD1 3.88Å; F132-F164 HydrophobicContact CD2-CD2 4.28Å; F132-F164 HydrophobicContact CD2-CE2 4.12Å; F132-F164 HydrophobicContact CE2-CD2 4.37Å; F132-F164 HydrophobicContact CE2-CE2 4.26Å; F132-I167 HydrophobicContact CE2-CD1 4.11Å; F132-I167 HydrophobicContact CZ-CD1 4.17Å; F132-L184 HydrophobicContact CZ-CD1 4.29Å
133Q96.7Very high96.2Very high49 Ų4933.8 Ų33.823%0.22919%0.185CC..Hα-helixtrans-61.8-42.5176.6-76.3179.6-6.100111.9S129 E131 L135 M136 I137 C146S129-Q133 WeakPolarHBondContact O-CB 3.43Å; S129-Q133 VanDerWaalsContact O-CG 3.28Å; S129-Q133 WeakPolarHBondContact O-CG 3.35Å; S129-Q133 PolarHBondContact O-N 3.47Å; E131-Q133 VanDerWaalsContact C-N 3.34Å; E131-Q133 PolarHBondContact O-N 3.22Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-L135 PolarHBondContact O-N 3.01Å; Q133-M136 PolarHBondContact O-N 3.4Å; Q133-I137 HydrophobicContact CB-CD1 4.11Å; Q133-I137 WeakPolarHBondContact O-CB 2.95Å; Q133-I137 WeakPolarHBondContact O-CD1 3.33Å; Q133-I137 WeakPolarHBondContact O-CG1 3.11Å; Q133-I137 PolarHBondContact O-N 3.44Å; Q133-C146 HydrophobicContact CG-CB 4.28Å
134S97.1Very high95.9Very high17 Ų1737.5 Ų37.512%0.11920%0.198CC..Hα-helixtrans-61.2-43.2179.3-60.90000111.8L45 Y49 S130 E131 F132 S138L45-S134 WeakPolarHBondContact CD2-O 3.21Å; Y49-S134 WeakPolarHBondContact OH-CB 3.46Å; Y49-S134 PolarHBondContact OH-OG 2.86Å; S130-S134 VanDerWaalsContact O-CB 3.3Å; S130-S134 WeakPolarHBondContact O-CB 3.17Å; S130-S134 PolarHBondContact O-N 3.17Å; S130-S134 PolarHBondContact O-OG 3.21Å; E131-S134 PolarHBondContact O-N 2.95Å; E131-S134 VanDerWaalsContact O-N 3.15Å; F132-S134 PolarHBondContact O-N 3.49Å; S134-S138 WeakPolarHBondContact O-CB 3.43Å; S134-S138 PolarHBondContact O-N 3.23Å; S134-S138 VanDerWaalsContact O-N 3.11Å; S134-S138 PolarHBondContact O-OG 3.2Å
135L97.6Very high95.7Very high0 Ų035.7 Ų35.70%019%0.188CC..Hα-helixtrans-62-55.9174.2173.760.7000111.2L45 L115 I119 E131 F132 Q133 I137 S138 W139 F164L45-L135 HydrophobicContact CD1-CD1 3.9Å; L115-L135 HydrophobicContact CD2-CD1 4.28Å; I119-L135 HydrophobicContact CD1-CB 4.04Å; I119-L135 HydrophobicContact CG1-CB 3.96Å; I119-L135 HydrophobicContact CG2-CD2 4.33Å; E131-L135 PolarHBondContact O-N 3.03Å; F132-L135 PolarHBondContact O-N 3.14Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-L135 PolarHBondContact O-N 3.01Å; L135-I137 PolarHBondContact O-N 2.92Å; L135-S138 PolarHBondContact O-N 3.07Å; L135-W139 WeakPolarHBondContact O-CB 3.4Å; L135-W139 PolarHBondContact O-N 3.05Å; L135-F164 HydrophobicContact CD2-CE2 3.95Å; L135-F164 HydrophobicContact CD2-CZ 3.69Å
136M97.3Very high95.5Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-68.8-38-172-65.5-52.4-52.200112.7F132 Q133 W139 K140 S141 C146 F168 L184 W185F132-M136 HydrophobicContact CD1-CG 4.21Å; F132-M136 HydrophobicContact CD2-CG 4.21Å; F132-M136 HydrophobicContact CE1-CG 3.86Å; F132-M136 HydrophobicContact CE2-CG 3.85Å; F132-M136 HydrophobicContact CE2-SD 4.26Å; F132-M136 HydrophobicContact CG-CG 4.39Å; F132-M136 HydrophobicContact CZ-CG 3.66Å; F132-M136 HydrophobicContact CZ-SD 4.31Å; F132-M136 WeakPolarHBondContact O-CB 3.47Å; F132-M136 VanDerWaalsContact O-CG 3.32Å; F132-M136 WeakPolarHBondContact O-CG 3.5Å; F132-M136 PolarHBondContact O-N 3.11Å; Q133-M136 PolarHBondContact O-N 3.4Å; M136-W139 CarbonylContact O-C 3.58Å; M136-W139 WeakPolarHBondContact O-CA 3.16Å; M136-W139 PolarHBondContact O-N 3.38Å; M136-K140 PolarHBondContact O-N 3.48Å; M136-S141 WeakPolarHBondContact O-CB 3.49Å; M136-S141 PolarHBondContact O-N 2.91Å; M136-C146 HydrophobicContact CB-CB 4.46Å; M136-C146 WeakPolarHBondContact CB-SG 3.45Å; M136-F168 HydrophobicContact SD-CE1 4.3Å; M136-F168 HydrophobicContact SD-CZ 3.79Å; M136-L184 HydrophobicContact CE-CD1 3.64Å; M136-L184 HydrophobicContact CE-CD2 4.22Å; M136-L184 HydrophobicContact CE-CG 3.78Å; M136-L184 HydrophobicContact SD-CD1 4.45Å; M136-W185 HydrophobicContact CE-CD2 4.48Å; M136-W185 HydrophobicContact CE-CH2 3.87Å; M136-W185 HydrophobicContact CE-CZ2 3.64Å; M136-W185 HydrophobicContact CE-CZ3 4.34Å
137I96Very high95.3Very high67 Ų6731.9 Ų31.934%0.34417%0.169SC..Hα-helixtrans-69.6-40.5176.4-65.1168.6000110.8Q133 L135 W139 K140 P143Q133-I137 HydrophobicContact CB-CD1 4.11Å; Q133-I137 WeakPolarHBondContact O-CB 2.95Å; Q133-I137 WeakPolarHBondContact O-CD1 3.33Å; Q133-I137 WeakPolarHBondContact O-CG1 3.11Å; Q133-I137 PolarHBondContact O-N 3.44Å; L135-I137 PolarHBondContact O-N 2.92Å; I137-W139 PolarHBondContact O-N 3.25Å; I137-K140 WeakPolarHBondContact O-CA 3.36Å; I137-K140 PolarHBondContact O-N 3.24Å; I137-P143 HydrophobicContact CD1-CB 3.93Å; I137-P143 HydrophobicContact CD1-CG 3.88Å; I137-P143 HydrophobicContact CG1-CB 4.41Å; I137-P143 HydrophobicContact CG1-CG 4.09Å
138S96.7Very high95.1Very high1 Ų134.6 Ų34.61%0.00718%0.183CC..Hα-helixtrans-59.8-33.4171.6-63.60000111.1S44 S134 L135 K140S44-S138 WeakPolarHBondContact CB-OG 3.42Å; S44-S138 WeakPolarHBondContact OG-CB 3.43Å; S44-S138 PolarHBondContact OG-OG 2.71Å; S134-S138 WeakPolarHBondContact O-CB 3.43Å; S134-S138 PolarHBondContact O-N 3.23Å; S134-S138 VanDerWaalsContact O-N 3.11Å; S134-S138 PolarHBondContact O-OG 3.2Å; L135-S138 PolarHBondContact O-N 3.07Å; S138-K140 PolarHBondContact O-N 2.65Å
139W96.6Very high95Very high13 Ų1331.7 Ų31.75%0.04917%0.168CC..THydrogen-bonded Turntrans-87.125.7171.6-152.6-8.9000114.3I41 L67 F111 L115 L135 M136 I137 S141 F168 F172 W185I41-W139 HydrophobicContact CD1-CD2 4.45Å; I41-W139 HydrophobicContact CD1-CG 3.9Å; I41-W139 HydrophobicContact CG1-CG 4.45Å; I41-W139 HydrophobicContact CG2-CB 4.15Å; I41-W139 HydrophobicContact CG2-CG 4.33Å; L67-W139 HydrophobicContact CD1-CZ2 4.34Å; F111-W139 AromaticContact CE2-CH2 3.46Å; F111-W139 HydrophobicContact CE2-CH2 3.46Å; F111-W139 VanDerWaalsContact CE2-CH2 3.46Å; F111-W139 HydrophobicContact CE2-CZ2 4.25Å; F111-W139 HydrophobicContact CE2-CZ3 4.28Å; F111-W139 AromaticContact CZ-CH2 3.55Å; F111-W139 HydrophobicContact CZ-CH2 3.55Å; F111-W139 HydrophobicContact CZ-CZ2 4.31Å; F111-W139 HydrophobicContact CZ-CZ3 4.49Å; L115-W139 HydrophobicContact CD1-CH2 4.16Å; L115-W139 HydrophobicContact CD1-CZ3 3.73Å; L135-W139 WeakPolarHBondContact O-CB 3.4Å; L135-W139 PolarHBondContact O-N 3.05Å; M136-W139 CarbonylContact O-C 3.58Å; M136-W139 WeakPolarHBondContact O-CA 3.16Å; M136-W139 PolarHBondContact O-N 3.38Å; I137-W139 PolarHBondContact O-N 3.25Å; W139-S141 PolarHBondContact O-N 2.79Å; W139-S141 VanDerWaalsContact O-N 3.11Å; W139-F168 HydrophobicContact CH2-CE1 4.46Å; W139-F168 AromaticContact CZ3-CE1 3.86Å; W139-F168 HydrophobicContact CZ3-CE1 3.86Å; W139-F168 HydrophobicContact CZ3-CZ 4.34Å; W139-F172 HydrophobicContact CH2-CZ 4.48Å; W139-W185 AromaticContact CD2-CZ2 3.79Å; W139-W185 HydrophobicContact CD2-CZ2 3.79Å; W139-W185 AromaticContact CE2-CZ2 3.95Å; W139-W185 HydrophobicContact CE3-CZ2 4.06Å; W139-W185 HydrophobicContact CG-CZ2 4.06Å; W139-W185 HydrophobicContact CH2-CH2 4.47Å; W139-W185 HydrophobicContact CZ2-CZ2 4.34Å; W139-W185 HydrophobicContact CZ3-CH2 4.46Å; W139-W185 HydrophobicContact CZ3-CZ2 4.41Å; W139-W185 PolarHBondContact O-NE1 3.22Å
140K95.5Very high95Very high23 Ų2330 Ų3010%0.116%0.156CC..THydrogen-bonded Turntrans61.620.7169.8-43.8-54.1-176.91770115.2R24 L25 T27 E40 M136 I137 S138R24-K140 HydrophobicContact CB-CB 4.43Å; R24-K140 PolarHBondContact NE-O 3.41Å; R24-K140 PolarHBondContact NH2-O 2.65Å; R24-K140 WeakPolarHBondContact O-CB 3.37Å; L25-K140 HydrophobicContact CD2-CG 4.42Å; T27-K140 HydrophobicContact CG2-CD 3.77Å; T27-K140 HydrophobicContact CG2-CG 3.91Å; E40-K140 IonicContact OE1-NZ 2.91Å; E40-K140 PolarHBondContact OE1-NZ 2.96Å; M136-K140 PolarHBondContact O-N 3.48Å; I137-K140 WeakPolarHBondContact O-CA 3.36Å; I137-K140 PolarHBondContact O-N 3.24Å; S138-K140 PolarHBondContact O-N 2.65Å
141S95.4Very high95Very high4 Ų434.5 Ų34.53%0.02816%0.163CC..  trans-71.2167.3166.8-175.70000111.7M136 W139 C146 L184M136-S141 WeakPolarHBondContact O-CB 3.49Å; M136-S141 PolarHBondContact O-N 2.91Å; W139-S141 PolarHBondContact O-N 2.79Å; W139-S141 VanDerWaalsContact O-N 3.11Å; S141-C146 WeakPolarHBondContact CB-SG 3.14Å; S141-C146 PolarHBondContact OG-SG 3.35Å; S141-L184 WeakPolarHBondContact CB-O 3.44Å; S141-L184 PolarHBondContact OG-O 3.45Å
142I91.3Very high94.9Very high13 Ų1340.1 Ų40.17%0.06719%0.185CC..  trans-89.3126.7179.9-59-176.7000109K144 D145 C146 S312 Y314I142-K144 VanDerWaalsContact C-N 3.32Å; I142-K144 HydrophobicContact CG2-CB 4.44Å; I142-K144 PolarHBondContact O-N 2.93Å; I142-D145 HydrophobicContact CB-CB 4.32Å; I142-D145 WeakPolarHBondContact CB-OD2 3.3Å; I142-D145 PolarHBondContact O-N 3.18Å; I142-D145 VanDerWaalsContact O-N 3.14Å; I142-C146 PolarHBondContact O-N 2.68Å; I142-C146 PolarHBondContact O-SG 2.99Å; I142-S312 WeakPolarHBondContact CD1-O 3.45Å; I142-Y314 HydrophobicContact CD1-CE2 4.22Å
143P90.5Very high94.8Very high67 Ų6742.6 Ų42.644%0.43520%0.195SC..Hα-helixtrans-54.1-43.9-175.8-2833.4000114.3I137 D145 C146 E147I137-P143 HydrophobicContact CD1-CB 3.93Å; I137-P143 HydrophobicContact CD1-CG 3.88Å; I137-P143 HydrophobicContact CG1-CB 4.41Å; I137-P143 HydrophobicContact CG1-CG 4.09Å; P143-D145 PolarHBondContact O-N 3.46Å; P143-C146 WeakPolarHBondContact O-CB 3.12Å; P143-C146 PolarHBondContact O-N 3.33Å; P143-E147 PolarHBondContact O-N 2.81Å; P143-E147 VanDerWaalsContact O-N 3.11Å
144K89.7Confident94.8Very high153 Ų15341.2 Ų41.267%0.66519%0.19SC*.Hα-helixtrans-61.3-43.1-179.8-177.2-176.4174.3-171.10111.9I142 E147 L148I142-K144 VanDerWaalsContact C-N 3.32Å; I142-K144 HydrophobicContact CG2-CB 4.44Å; I142-K144 PolarHBondContact O-N 2.93Å; K144-E147 PolarHBondContact O-N 3.48Å; K144-L148 PolarHBondContact O-N 3Å
145D91.2Very high94.7Very high15 Ų1545.4 Ų45.48%0.0821%0.212CC..Hα-helixtrans-74.5-36.2-177-57.9-27.8000110.8I142 P143 E147 L148 I149 Q183 G186I142-D145 HydrophobicContact CB-CB 4.32Å; I142-D145 WeakPolarHBondContact CB-OD2 3.3Å; I142-D145 PolarHBondContact O-N 3.18Å; I142-D145 VanDerWaalsContact O-N 3.14Å; P143-D145 PolarHBondContact O-N 3.46Å; D145-E147 PolarHBondContact O-N 3.47Å; D145-L148 PolarHBondContact O-N 3.25Å; D145-I149 WeakPolarHBondContact O-CG1 3.45Å; D145-I149 PolarHBondContact O-N 2.53Å; D145-Q183 WeakPolarHBondContact CB-O 3.24Å; D145-G186 WeakPolarHBondContact OD2-CA 3.2Å
146C92.6Very high94.5Very high0 Ų055.2 Ų55.20%025%0.254CS..Hα-helixtrans-56.8-46.9171.7-66.60000112.3F132 Q133 M136 S141 I142 P143 L148 I149 F150F132-C146 HydrophobicContact CE1-CB 4.41Å; Q133-C146 HydrophobicContact CG-CB 4.28Å; M136-C146 HydrophobicContact CB-CB 4.46Å; M136-C146 WeakPolarHBondContact CB-SG 3.45Å; S141-C146 WeakPolarHBondContact CB-SG 3.14Å; S141-C146 PolarHBondContact OG-SG 3.35Å; I142-C146 PolarHBondContact O-N 2.68Å; I142-C146 PolarHBondContact O-SG 2.99Å; P143-C146 WeakPolarHBondContact O-CB 3.12Å; P143-C146 PolarHBondContact O-N 3.33Å; C146-L148 VanDerWaalsContact C-N 3.32Å; C146-L148 PolarHBondContact O-N 3.36Å; C146-I149 PolarHBondContact O-N 3.05Å; C146-F150 WeakPolarHBondContact O-CB 3.1Å; C146-F150 PolarHBondContact O-N 3.42Å
147E93.5Very high94.5Very high72 Ų7261.2 Ų61.234%0.33629%0.286SS..Hα-helixtrans-62.2-41.8179.3-171.2-177.2165.100111.6P143 K144 D145 R151P143-E147 PolarHBondContact O-N 2.81Å; P143-E147 VanDerWaalsContact O-N 3.11Å; K144-E147 PolarHBondContact O-N 3.48Å; D145-E147 PolarHBondContact O-N 3.47Å; E147-R151 WeakPolarHBondContact O-CG 3.37Å; E147-R151 PolarHBondContact O-N 3.1Å; E147-R151 VanDerWaalsContact O-N 3.17Å; E147-R151 IonicContact OE1-CZ 2.66Å; E147-R151 IonicContact OE1-NE 3.78Å; E147-R151 IonicContact OE1-NH1 2.73Å; E147-R151 IonicContact OE1-NH2 2.69Å; E147-R151 PolarHBondContact OE1-NH2 3.4Å
148L94Very high94.5Very high58 Ų5861.4 Ų61.430%0.30428%0.284SS..Hα-helixtrans-64.9-46.9178.2-174.564.1000111.6K144 D145 C146 R151 Y152K144-L148 PolarHBondContact O-N 3Å; D145-L148 PolarHBondContact O-N 3.25Å; C146-L148 VanDerWaalsContact C-N 3.32Å; C146-L148 PolarHBondContact O-N 3.36Å; L148-R151 PolarHBondContact O-N 2.99Å; L148-Y152 HydrophobicContact CD1-CE1 4.39Å; L148-Y152 HydrophobicContact CD1-CE2 3.82Å; L148-Y152 HydrophobicContact CD2-CE2 3.95Å; L148-Y152 HydrophobicContact CG-CD2 4.18Å; L148-Y152 HydrophobicContact CG-CE2 3.48Å; L148-Y152 VanDerWaalsContact CG-CE2 3.48Å; L148-Y152 WeakPolarHBondContact O-CD2 3.11Å; L148-Y152 PolarHBondContact O-N 2.87Å
149I96Very high94.6Very high2 Ų261.3 Ų61.31%0.0128%0.284CS..Hα-helixtrans-64.8-42.8178.9-70.4168.6000111.2F132 D145 C146 R151 Y152 Y153 I167 I181 L184F132-I149 HydrophobicContact CE1-CG2 4.44Å; F132-I149 HydrophobicContact CZ-CG2 4.25Å; D145-I149 WeakPolarHBondContact O-CG1 3.45Å; D145-I149 PolarHBondContact O-N 2.53Å; C146-I149 PolarHBondContact O-N 3.05Å; I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 3.15Å; I149-Y152 PolarHBondContact O-N 2.72Å; I149-Y152 VanDerWaalsContact O-N 3.11Å; I149-Y153 HydrophobicContact CG2-CD2 4.28Å; I149-Y153 WeakPolarHBondContact O-CD2 3.38Å; I149-Y153 PolarHBondContact O-N 2.82Å; I149-I167 HydrophobicContact CG2-CD1 4.19Å; I149-I167 HydrophobicContact CG2-CG1 4.4Å; I149-I167 HydrophobicContact CG2-CG2 4.38Å; I149-I181 HydrophobicContact CD1-CD1 4.42Å; I149-I181 HydrophobicContact CG1-CD1 4.28Å; I149-I181 HydrophobicContact CG2-CD1 3.56Å; I149-L184 HydrophobicContact CD1-CB 3.72Å; I149-L184 HydrophobicContact CD1-CD1 3.6Å; I149-L184 HydrophobicContact CD1-CG 4.28Å; I149-L184 HydrophobicContact CG2-CD1 4.28Å
150F97.2Very high94.6Very high5 Ų562.2 Ų62.22%0.02229%0.292CS..Hα-helixtrans-53.8-48.5174.8-178.1-89.6000110.9I127 I128 F132 C146 Y152 Y153 S154 N157 L159I127-F150 WeakPolarHBondContact O-CE2 3.38Å; I128-F150 VanDerWaalsContact C-CE2 3.47Å; F132-F150 HydrophobicContact CB-CD2 3.62Å; F132-F150 HydrophobicContact CB-CE2 4.07Å; F132-F150 HydrophobicContact CD1-CB 3.84Å; F132-F150 AromaticContact CD1-CD2 3.9Å; F132-F150 HydrophobicContact CD1-CD2 3.9Å; F132-F150 HydrophobicContact CD1-CG 4.35Å; F132-F150 HydrophobicContact CE1-CB 4.21Å; F132-F150 AromaticContact CG-CD2 3.83Å; F132-F150 HydrophobicContact CG-CD2 3.83Å; C146-F150 WeakPolarHBondContact O-CB 3.1Å; C146-F150 PolarHBondContact O-N 3.42Å; F150-Y152 VanDerWaalsContact C-N 3.29Å; F150-Y152 PolarHBondContact O-N 3.22Å; F150-Y153 PolarHBondContact O-N 3.47Å; F150-S154 WeakPolarHBondContact O-CB 3.37Å; F150-S154 PolarHBondContact O-N 3.43Å; F150-S154 PolarHBondContact O-OG 3.26Å; F150-N157 WeakPolarHBondContact CZ-O 3.49Å; F150-L159 HydrophobicContact CD2-CD1 3.4Å; F150-L159 HydrophobicContact CD2-CG 3.75Å; F150-L159 HydrophobicContact CE2-CB 4.32Å; F150-L159 HydrophobicContact CE2-CD1 3.6Å; F150-L159 HydrophobicContact CE2-CG 3.57Å; F150-L159 HydrophobicContact CG-CD1 4.46Å; F150-L159 HydrophobicContact CZ-CG 4.37Å
151R95.7Very high94.7Very high156 Ų15663.9 Ų63.959%0.58930%0.299SS*.Hα-helixtrans-60.5-35.8179.3-74173.1175.2162.33.8113.3E147 L148 I149E147-R151 WeakPolarHBondContact O-CG 3.37Å; E147-R151 PolarHBondContact O-N 3.1Å; E147-R151 VanDerWaalsContact O-N 3.17Å; E147-R151 IonicContact OE1-CZ 2.66Å; E147-R151 IonicContact OE1-NE 3.78Å; E147-R151 IonicContact OE1-NH1 2.73Å; E147-R151 IonicContact OE1-NH2 2.69Å; E147-R151 PolarHBondContact OE1-NH2 3.4Å; L148-R151 PolarHBondContact O-N 2.99Å; I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 3.15Å
152Y94.8Very high94.7Very high128 Ų12867.9 Ų67.950%0.50232%0.318SS..Hα-helixtrans-70.6-29.1179.6-70-40.4000113.9L148 I149 F150 N180L148-Y152 HydrophobicContact CD1-CE1 4.39Å; L148-Y152 HydrophobicContact CD1-CE2 3.82Å; L148-Y152 HydrophobicContact CD2-CE2 3.95Å; L148-Y152 HydrophobicContact CG-CD2 4.18Å; L148-Y152 HydrophobicContact CG-CE2 3.48Å; L148-Y152 VanDerWaalsContact CG-CE2 3.48Å; L148-Y152 WeakPolarHBondContact O-CD2 3.11Å; L148-Y152 PolarHBondContact O-N 2.87Å; I149-Y152 PolarHBondContact O-N 2.72Å; I149-Y152 VanDerWaalsContact O-N 3.11Å; F150-Y152 VanDerWaalsContact C-N 3.29Å; F150-Y152 PolarHBondContact O-N 3.22Å; Y152-N180 HydrophobicContact CD2-CB 4.3Å; Y152-N180 HydrophobicContact CE2-CB 4.26Å
153Y95.7Very high95Very high52 Ų5268.2 Ų68.220%0.20432%0.32CS..Hα-helixtrans-111.7-12-172.7-74-99.5000113.7I149 F150 L159 N163 K166 I167 I181I149-Y153 HydrophobicContact CG2-CD2 4.28Å; I149-Y153 WeakPolarHBondContact O-CD2 3.38Å; I149-Y153 PolarHBondContact O-N 2.82Å; F150-Y153 PolarHBondContact O-N 3.47Å; Y153-L159 WeakPolarHBondContact O-CD2 3.24Å; Y153-N163 WeakPolarHBondContact O-CB 3.24Å; Y153-N163 PolarHBondContact O-ND2 3.47Å; Y153-K166 HydrophobicContact CE1-CB 4.43Å; Y153-I167 HydrophobicContact CD1-CD1 4.47Å; Y153-I167 HydrophobicContact CD1-CG1 3.74Å; Y153-I167 HydrophobicContact CD2-CD1 4.46Å; Y153-I167 HydrophobicContact CD2-CG1 4.05Å; Y153-I167 HydrophobicContact CE1-CG1 4.17Å; Y153-I167 HydrophobicContact CG-CD1 4.02Å; Y153-I167 HydrophobicContact CG-CG1 3.67Å; Y153-I181 HydrophobicContact CD2-CD1 4.02Å; Y153-I181 HydrophobicContact CE2-CD1 3.3Å; Y153-I181 HydrophobicContact CE2-CG1 3.85Å; Y153-I181 WeakPolarHBondContact OH-CG1 3.29Å
154S96.8Very high95.3Very high19 Ų1965 Ų6513%0.13330%0.299CS..  trans-77.2136.8178.572.90000111.8F150 K158F150-S154 WeakPolarHBondContact O-CB 3.37Å; F150-S154 PolarHBondContact O-N 3.43Å; F150-S154 PolarHBondContact O-OG 3.26Å; S154-K158 CarbonylContact C-O 3.27Å; S154-K158 WeakPolarHBondContact CA-O 3.49Å
155D95.7Very high95.7Very high106 Ų10658.6 Ų58.657%0.56727%0.272SS*.BIsolated β-bridgetrans-99.9120.9168-70.7-52.1000108.4N157 K158 N163D155-N157 VanDerWaalsContact C-N 3.26Å; D155-N157 PolarHBondContact O-N 2.96Å; D155-K158 PolarHBondContact N-O 3.47Å; D155-K158 PolarHBondContact O-N 2.9Å; D155-K158 VanDerWaalsContact O-O 3.09Å; D155-N163 PolarHBondContact OD2-ND2 2.9Å
156K93.5Very high95.9Very high205 Ų20561.6 Ų61.689%0.89128%0.284SS*.THydrogen-bonded Turntrans51.743.6-178-56.4177.6-179.6175.10112.9K158K156-K158 VanDerWaalsContact C-N 3.27Å; K156-K158 PolarHBondContact O-N 3.43Å
157N95.5Very high96.1Very high127 Ų12761.6 Ų61.668%0.67928%0.284SS*.THydrogen-bonded Turntrans64.721.8-178.3-53.8-43.8000115.3F150 D155F150-N157 WeakPolarHBondContact CZ-O 3.49Å; D155-N157 VanDerWaalsContact C-N 3.26Å; D155-N157 PolarHBondContact O-N 2.96Å
158K97.6Very high96.3Very high70 Ų7058.2 Ų58.230%0.30427%0.268SS..BIsolated β-bridgetrans-133.4135.5176.5-70-163.7173.3-162.60110.8D124 L126 I127 I128 S154 D155 K156D124-K158 IonicContact OD2-NZ 3.82Å; D124-K158 PolarHBondContact OD2-NZ 3.02Å; L126-K158 HydrophobicContact CB-CB 4.07Å; L126-K158 HydrophobicContact CB-CD 3.9Å; L126-K158 HydrophobicContact CB-CG 4.45Å; L126-K158 HydrophobicContact CD1-CB 4.2Å; L126-K158 HydrophobicContact CD1-CD 3.4Å; L126-K158 HydrophobicContact CD1-CG 4.43Å; L126-K158 HydrophobicContact CD2-CB 4.46Å; L126-K158 HydrophobicContact CG-CB 4.48Å; L126-K158 HydrophobicContact CG-CD 4.23Å; I127-K158 WeakPolarHBondContact O-CA 3.46Å; I128-K158 HydrophobicContact CG2-CG 4.28Å; S154-K158 CarbonylContact C-O 3.27Å; S154-K158 WeakPolarHBondContact CA-O 3.49Å; D155-K158 PolarHBondContact N-O 3.47Å; D155-K158 PolarHBondContact O-N 2.9Å; D155-K158 VanDerWaalsContact O-O 3.09Å; K156-K158 VanDerWaalsContact C-N 3.27Å; K156-K158 PolarHBondContact O-N 3.43Å
159L97.6Very high96.5Very high0 Ų056 Ų560%026%0.257CS..EExtended strand (participates in β ladder)trans-89.9120.7173.3-76.5173.5000109.5L126 I127 F132 F150 Y153 N163 I167L126-L159 CarbonylContact C-O 3.28Å; L126-L159 WeakPolarHBondContact CA-O 3.36Å; I127-L159 HydrophobicContact CB-CB 4.09Å; I127-L159 PolarHBondContact N-O 3.11Å; I127-L159 PolarHBondContact O-N 3.22Å; F132-L159 HydrophobicContact CB-CD1 4.24Å; F132-L159 HydrophobicContact CD2-CD1 3.58Å; F132-L159 HydrophobicContact CE2-CD1 4.03Å; F132-L159 HydrophobicContact CG-CD1 3.88Å; F150-L159 HydrophobicContact CD2-CD1 3.4Å; F150-L159 HydrophobicContact CD2-CG 3.75Å; F150-L159 HydrophobicContact CE2-CB 4.32Å; F150-L159 HydrophobicContact CE2-CD1 3.6Å; F150-L159 HydrophobicContact CE2-CG 3.57Å; F150-L159 HydrophobicContact CG-CD1 4.46Å; F150-L159 HydrophobicContact CZ-CG 4.37Å; Y153-L159 WeakPolarHBondContact O-CD2 3.24Å; L159-N163 HydrophobicContact CD2-CB 4.22Å; L159-I167 HydrophobicContact CD1-CD1 4.23Å; L159-I167 HydrophobicContact CD2-CD1 4.18Å
160S97.5Very high96.5Very high31 Ų3156.8 Ų56.822%0.21726%0.261CS..EExtended strand (participates in β ladder)trans-72.2159.1167.967.40000111E162 N163 F164S160-E162 PolarHBondContact O-N 3.35Å; S160-N163 PolarHBondContact O-N 2.8Å; S160-N163 VanDerWaalsContact O-N 3.15Å; S160-N163 PolarHBondContact OG-N 2.92Å; S160-N163 VanDerWaalsContact OG-N 3.17Å; S160-F164 WeakPolarHBondContact O-CB 3.46Å; S160-F164 PolarHBondContact O-N 3.34Å
161K96.5Very high96.5Very high58 Ų5856.6 Ų56.625%0.25226%0.26SS..Hα-helixtrans-52.8-37171.6-173.7175.6177.9-178.60112.4E113 F116 L165E113-K161 IonicContact OE1-NZ 2.82Å; E113-K161 PolarHBondContact OE1-NZ 3Å; E113-K161 IonicContact OE2-NZ 2.61Å; E113-K161 PolarHBondContact OE2-NZ 2.73Å; F116-K161 HydrophobicContact CD2-CB 4.24Å; F116-K161 HydrophobicContact CD2-CG 4.39Å; F116-K161 HydrophobicContact CE1-CB 4.42Å; F116-K161 HydrophobicContact CE2-CB 3.99Å; F116-K161 HydrophobicContact CG-CG 4.4Å; F116-K161 HydrophobicContact CZ-CB 4.1Å; K161-L165 WeakPolarHBondContact O-CB 3.12Å; K161-L165 PolarHBondContact O-N 2.85Å
162E96.1Very high96.6Very high89 Ų8949.4 Ų49.442%0.41623%0.233SC..Hα-helixtrans-66.3-47.3177.7-166.1-171.5140.900112.3I3 S160 L165 K166I3-E162 HydrophobicContact CD1-CG 3.96Å; S160-E162 PolarHBondContact O-N 3.35Å; E162-L165 PolarHBondContact O-N 3.31Å; E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 2.78Å; E162-K166 WeakPolarHBondContact OE1-CE 3.2Å; E162-K166 IonicContact OE1-NZ 2.8Å; E162-K166 PolarHBondContact OE1-NZ 3.31Å
163N96.8Very high96.8Very high20 Ų2043.3 Ų43.311%0.10721%0.209CC..Hα-helixtrans-71-34.9179.6-69.6-11.2000111.6Y153 D155 L159 S160 K166 I167Y153-N163 WeakPolarHBondContact O-CB 3.24Å; Y153-N163 PolarHBondContact O-ND2 3.47Å; D155-N163 PolarHBondContact OD2-ND2 2.9Å; L159-N163 HydrophobicContact CD2-CB 4.22Å; S160-N163 PolarHBondContact O-N 2.8Å; S160-N163 VanDerWaalsContact O-N 3.15Å; S160-N163 PolarHBondContact OG-N 2.92Å; S160-N163 VanDerWaalsContact OG-N 3.17Å; N163-K166 PolarHBondContact O-N 3.35Å; N163-K166 PolarHBondContact OD1-NZ 2.93Å; N163-I167 WeakPolarHBondContact O-CG1 3.44Å; N163-I167 PolarHBondContact O-N 3.43Å; N163-I167 VanDerWaalsContact O-N 3.16Å
164F97.6Very high96.8Very high0 Ų043.5 Ų43.50%021%0.213CC..Hα-helixtrans-59.3-48.4170.9-173.6-97.2000111I112 L115 F116 I127 F132 L135 S160 K166 I167 F168I112-F164 HydrophobicContact CG2-CD1 3.52Å; I112-F164 HydrophobicContact CG2-CE1 3.72Å; L115-F164 HydrophobicContact CB-CE1 4.4Å; L115-F164 HydrophobicContact CB-CZ 4.37Å; F116-F164 HydrophobicContact CB-CD1 4.08Å; F116-F164 HydrophobicContact CB-CE1 4.01Å; F116-F164 HydrophobicContact CD2-CB 3.91Å; F116-F164 AromaticContact CD2-CD1 3.83Å; F116-F164 HydrophobicContact CD2-CD1 3.83Å; F116-F164 HydrophobicContact CD2-CD2 4.41Å; F116-F164 HydrophobicContact CD2-CE1 4.43Å; F116-F164 AromaticContact CD2-CG 3.82Å; F116-F164 HydrophobicContact CD2-CG 3.82Å; F116-F164 HydrophobicContact CE2-CB 4.24Å; F116-F164 HydrophobicContact CG-CD1 4.47Å; I127-F164 HydrophobicContact CD1-CD2 3.61Å; I127-F164 HydrophobicContact CD1-CE2 3.68Å; I127-F164 HydrophobicContact CD1-CG 4.16Å; I127-F164 HydrophobicContact CD1-CZ 4.31Å; F132-F164 HydrophobicContact CD2-CD2 4.28Å; F132-F164 HydrophobicContact CD2-CE2 4.12Å; F132-F164 HydrophobicContact CE2-CD2 4.37Å; F132-F164 HydrophobicContact CE2-CE2 4.26Å; L135-F164 HydrophobicContact CD2-CE2 3.95Å; L135-F164 HydrophobicContact CD2-CZ 3.69Å; S160-F164 WeakPolarHBondContact O-CB 3.46Å; S160-F164 PolarHBondContact O-N 3.34Å; F164-K166 PolarHBondContact O-N 3.33Å; F164-I167 WeakPolarHBondContact O-CB 3.15Å; F164-I167 PolarHBondContact O-N 3.05Å; F164-F168 HydrophobicContact CD1-CD2 4.17Å; F164-F168 HydrophobicContact CD1-CE2 4.09Å; F164-F168 HydrophobicContact CD2-CE2 4.08Å; F164-F168 AromaticContact CE1-CD2 3.97Å; F164-F168 HydrophobicContact CE1-CD2 3.97Å; F164-F168 AromaticContact CE1-CE2 3.61Å; F164-F168 HydrophobicContact CE1-CE2 3.61Å; F164-F168 AromaticContact CE2-CE2 3.62Å; F164-F168 HydrophobicContact CE2-CE2 3.62Å; F164-F168 HydrophobicContact CE2-CZ 4.38Å; F164-F168 HydrophobicContact CG-CE2 4.31Å; F164-F168 HydrophobicContact CZ-CD2 4.2Å; F164-F168 AromaticContact CZ-CE2 3.37Å; F164-F168 HydrophobicContact CZ-CE2 3.37Å; F164-F168 HydrophobicContact CZ-CZ 4.09Å; F164-F168 VanDerWaalsContact O-CD2 3.29Å; F164-F168 WeakPolarHBondContact O-CD2 3.33Å; F164-F168 PolarHBondContact O-N 2.95Å
165L97.2Very high96.8Very high17 Ų1745.4 Ų45.49%0.08922%0.222CC..Hα-helixtrans-58.6-43.1174.7176.458.3000112.4I3 F107 N108 I112 K161 E162 I167 F168 I169I3-L165 HydrophobicContact CB-CD2 4.31Å; I3-L165 HydrophobicContact CD1-CD2 3.73Å; I3-L165 HydrophobicContact CD1-CG 4.13Å; I3-L165 HydrophobicContact CG1-CD2 4.17Å; F107-L165 HydrophobicContact CD1-CD1 3.97Å; F107-L165 HydrophobicContact CE1-CD1 4.14Å; N108-L165 HydrophobicContact CB-CD1 4.46Å; I112-L165 HydrophobicContact CB-CD1 4.07Å; I112-L165 HydrophobicContact CG1-CD1 3.77Å; I112-L165 HydrophobicContact CG2-CB 4.12Å; I112-L165 HydrophobicContact CG2-CD1 3.97Å; K161-L165 WeakPolarHBondContact O-CB 3.12Å; K161-L165 PolarHBondContact O-N 2.85Å; E162-L165 PolarHBondContact O-N 3.31Å; L165-I167 VanDerWaalsContact C-N 3.32Å; L165-I167 PolarHBondContact O-N 2.98Å; L165-F168 PolarHBondContact O-N 3.46Å; L165-I169 HydrophobicContact CD1-CD1 3.79Å; L165-I169 HydrophobicContact CD1-CG1 3.9Å; L165-I169 HydrophobicContact CD2-CD1 4.34Å; L165-I169 HydrophobicContact CG-CD1 3.68Å; L165-I169 HydrophobicContact CG-CG1 4.22Å; L165-I169 WeakPolarHBondContact O-CG1 3.36Å; L165-I169 PolarHBondContact O-N 2.87Å
166K96.2Very high96.8Very high79 Ų7943.5 Ų43.534%0.34321%0.212SC..Hα-helixtrans-58.5-39.4177.5-74.5171.2-173.2159.40113.2I3 Y153 E162 N163 F164 F168 I169 D170I3-K166 HydrophobicContact CD1-CG 4.29Å; Y153-K166 HydrophobicContact CE1-CB 4.43Å; E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 2.78Å; E162-K166 WeakPolarHBondContact OE1-CE 3.2Å; E162-K166 IonicContact OE1-NZ 2.8Å; E162-K166 PolarHBondContact OE1-NZ 3.31Å; N163-K166 PolarHBondContact O-N 3.35Å; N163-K166 PolarHBondContact OD1-NZ 2.93Å; F164-K166 PolarHBondContact O-N 3.33Å; K166-F168 VanDerWaalsContact C-N 3.34Å; K166-F168 PolarHBondContact O-N 2.93Å; K166-I169 PolarHBondContact O-N 2.78Å; K166-D170 WeakPolarHBondContact O-CB 3.41Å; K166-D170 PolarHBondContact O-N 3Å
167I97.3Very high96.8Very high0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-57.1-49.5176.8-68.6166.6000110F132 I149 Y153 L159 N163 F164 L165 D170 F171 I181 L184F132-I167 HydrophobicContact CE2-CD1 4.11Å; F132-I167 HydrophobicContact CZ-CD1 4.17Å; I149-I167 HydrophobicContact CG2-CD1 4.19Å; I149-I167 HydrophobicContact CG2-CG1 4.4Å; I149-I167 HydrophobicContact CG2-CG2 4.38Å; Y153-I167 HydrophobicContact CD1-CD1 4.47Å; Y153-I167 HydrophobicContact CD1-CG1 3.74Å; Y153-I167 HydrophobicContact CD2-CD1 4.46Å; Y153-I167 HydrophobicContact CD2-CG1 4.05Å; Y153-I167 HydrophobicContact CE1-CG1 4.17Å; Y153-I167 HydrophobicContact CG-CD1 4.02Å; Y153-I167 HydrophobicContact CG-CG1 3.67Å; L159-I167 HydrophobicContact CD1-CD1 4.23Å; L159-I167 HydrophobicContact CD2-CD1 4.18Å; N163-I167 WeakPolarHBondContact O-CG1 3.44Å; N163-I167 PolarHBondContact O-N 3.43Å; N163-I167 VanDerWaalsContact O-N 3.16Å; F164-I167 WeakPolarHBondContact O-CB 3.15Å; F164-I167 PolarHBondContact O-N 3.05Å; L165-I167 VanDerWaalsContact C-N 3.32Å; L165-I167 PolarHBondContact O-N 2.98Å; I167-D170 PolarHBondContact O-N 2.93Å; I167-F171 PolarHBondContact O-N 3.41Å; I167-I181 HydrophobicContact CB-CD1 4.45Å; I167-I181 HydrophobicContact CG1-CD1 4.21Å; I167-I181 HydrophobicContact CG2-CD1 4.07Å; I167-I181 WeakPolarHBondContact O-CG2 3.39Å; I167-L184 HydrophobicContact CG2-CD1 4.33Å; I167-L184 HydrophobicContact CG2-CD2 3.76Å
168F97.5Very high96.8Very high0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-77-30.8-176.1-70-77.4000113.6F107 I112 M136 W139 F164 L165 K166 F171 F172 W185F107-F168 HydrophobicContact CE1-CB 4.12Å; F107-F168 HydrophobicContact CZ-CB 4.12Å; I112-F168 HydrophobicContact CD1-CB 3.39Å; I112-F168 HydrophobicContact CD1-CD1 4.26Å; I112-F168 HydrophobicContact CD1-CD2 3.87Å; I112-F168 HydrophobicContact CD1-CG 3.57Å; I112-F168 HydrophobicContact CG1-CB 4.25Å; M136-F168 HydrophobicContact SD-CE1 4.3Å; M136-F168 HydrophobicContact SD-CZ 3.79Å; W139-F168 HydrophobicContact CH2-CE1 4.46Å; W139-F168 AromaticContact CZ3-CE1 3.86Å; W139-F168 HydrophobicContact CZ3-CE1 3.86Å; W139-F168 HydrophobicContact CZ3-CZ 4.34Å; F164-F168 HydrophobicContact CD1-CD2 4.17Å; F164-F168 HydrophobicContact CD1-CE2 4.09Å; F164-F168 HydrophobicContact CD2-CE2 4.08Å; F164-F168 AromaticContact CE1-CD2 3.97Å; F164-F168 HydrophobicContact CE1-CD2 3.97Å; F164-F168 AromaticContact CE1-CE2 3.61Å; F164-F168 HydrophobicContact CE1-CE2 3.61Å; F164-F168 AromaticContact CE2-CE2 3.62Å; F164-F168 HydrophobicContact CE2-CE2 3.62Å; F164-F168 HydrophobicContact CE2-CZ 4.38Å; F164-F168 HydrophobicContact CG-CE2 4.31Å; F164-F168 HydrophobicContact CZ-CD2 4.2Å; F164-F168 AromaticContact CZ-CE2 3.37Å; F164-F168 HydrophobicContact CZ-CE2 3.37Å; F164-F168 HydrophobicContact CZ-CZ 4.09Å; F164-F168 VanDerWaalsContact O-CD2 3.29Å; F164-F168 WeakPolarHBondContact O-CD2 3.33Å; F164-F168 PolarHBondContact O-N 2.95Å; L165-F168 PolarHBondContact O-N 3.46Å; K166-F168 VanDerWaalsContact C-N 3.34Å; K166-F168 PolarHBondContact O-N 2.93Å; F168-F171 PolarHBondContact O-N 2.97Å; F168-F172 HydrophobicContact CB-CD2 4.39Å; F168-F172 HydrophobicContact CD1-CD2 4.01Å; F168-F172 AromaticContact CD1-CE2 3.76Å; F168-F172 HydrophobicContact CD1-CE2 3.76Å; F168-F172 HydrophobicContact CE1-CE2 4.37Å; F168-F172 WeakPolarHBondContact O-CB 3.45Å; F168-F172 PolarHBondContact O-N 3.03Å; F168-W185 HydrophobicContact CE1-CH2 4.14Å
169I97.2Very high96.7Very high12 Ų1237.8 Ų37.86%0.06219%0.194CC..Hα-helixtrans-60.8-48.1169.5-68.9174.8000109.7I3 L5 F107 L165 K166 F171 I173 L174I3-I169 HydrophobicContact CB-CD1 4.37Å; I3-I169 HydrophobicContact CG2-CD1 3.73Å; L5-I169 HydrophobicContact CD2-CD1 3.48Å; L5-I169 VanDerWaalsContact CD2-CD1 3.48Å; L5-I169 HydrophobicContact CD2-CG1 3.48Å; L5-I169 VanDerWaalsContact CD2-CG1 3.48Å; L5-I169 HydrophobicContact CD2-CG2 4.36Å; F107-I169 HydrophobicContact CD1-CG1 4.29Å; F107-I169 HydrophobicContact CE1-CG1 3.95Å; L165-I169 HydrophobicContact CD1-CD1 3.79Å; L165-I169 HydrophobicContact CD1-CG1 3.9Å; L165-I169 HydrophobicContact CD2-CD1 4.34Å; L165-I169 HydrophobicContact CG-CD1 3.68Å; L165-I169 HydrophobicContact CG-CG1 4.22Å; L165-I169 WeakPolarHBondContact O-CG1 3.36Å; L165-I169 PolarHBondContact O-N 2.87Å; K166-I169 PolarHBondContact O-N 2.78Å; I169-F171 PolarHBondContact O-N 2.95Å; I169-I173 HydrophobicContact CG2-CB 4.22Å; I169-I173 HydrophobicContact CG2-CG1 4.3Å; I169-I173 WeakPolarHBondContact O-CA 3.25Å; I169-I173 WeakPolarHBondContact O-CB 3.23Å; I169-I173 PolarHBondContact O-N 3.49Å; I169-L174 PolarHBondContact O-N 3.41Å
170D96.8Very high96.5Very high19 Ų1942.1 Ų42.110%0.10222%0.217CC..Hα-helixtrans-60.9-45.7179.3-166-23000111.1K17 K166 I167 L174 S179 I181K17-D170 PolarHBondContact NZ-O 2.97Å; K166-D170 WeakPolarHBondContact O-CB 3.41Å; K166-D170 PolarHBondContact O-N 3Å; I167-D170 PolarHBondContact O-N 2.93Å; D170-L174 HydrophobicContact CB-CD1 4.24Å; D170-S179 WeakPolarHBondContact OD1-CB 3.48Å; D170-S179 PolarHBondContact OD1-OG 3.2Å; D170-S179 VanDerWaalsContact OD1-OG 3.06Å; D170-S179 PolarHBondContact OD2-OG 2.94Å; D170-I181 HydrophobicContact CB-CB 4.13Å; D170-I181 HydrophobicContact CB-CG1 4.07Å; D170-I181 HydrophobicContact CB-CG2 4.09Å
171F97.7Very high96.4Very high0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-68.8-49.6-180-164.5-92.3000113.9K17 M18 L21 I167 F168 I169 I181 L184 W185K17-F171 HydrophobicContact CB-CE1 4.13Å; K17-F171 HydrophobicContact CB-CE2 4.08Å; K17-F171 HydrophobicContact CB-CZ 3.74Å; K17-F171 HydrophobicContact CD-CD2 3.78Å; K17-F171 HydrophobicContact CD-CE2 3.82Å; K17-F171 HydrophobicContact CD-CG 4.2Å; K17-F171 HydrophobicContact CD-CZ 4.27Å; K17-F171 WeakPolarHBondContact CD-O 3.34Å; K17-F171 WeakPolarHBondContact CE-O 3.37Å; K17-F171 HydrophobicContact CG-CD2 4.33Å; K17-F171 HydrophobicContact CG-CE2 3.84Å; K17-F171 HydrophobicContact CG-CZ 4.05Å; K17-F171 PolarHBondContact NZ-O 2.96Å; M18-F171 HydrophobicContact CE-CD1 3.89Å; M18-F171 HydrophobicContact CE-CE1 3.53Å; M18-F171 HydrophobicContact CE-CZ 4.35Å; L21-F171 HydrophobicContact CB-CE1 4.4Å; L21-F171 HydrophobicContact CD2-CE1 4.45Å; I167-F171 PolarHBondContact O-N 3.41Å; F168-F171 PolarHBondContact O-N 2.97Å; I169-F171 PolarHBondContact O-N 2.95Å; F171-I181 HydrophobicContact CB-CG2 3.63Å; F171-I181 HydrophobicContact CD2-CG2 4Å; F171-I181 WeakPolarHBondContact CD2-O 3.17Å; F171-I181 HydrophobicContact CG-CG2 4.32Å; F171-L184 HydrophobicContact CB-CD2 3.97Å; F171-L184 HydrophobicContact CD2-CB 3.74Å; F171-L184 HydrophobicContact CD2-CD2 4.12Å; F171-L184 HydrophobicContact CD2-CG 4.48Å; F171-L184 HydrophobicContact CE2-CB 4.05Å; F171-L184 HydrophobicContact CG-CB 4.49Å; F171-L184 HydrophobicContact CG-CD2 4.04Å; F171-W185 AromaticContact CD1-CE3 3.78Å; F171-W185 HydrophobicContact CD1-CE3 3.78Å; F171-W185 HydrophobicContact CD1-CH2 4.48Å; F171-W185 AromaticContact CD1-CZ3 3.4Å; F171-W185 HydrophobicContact CD1-CZ3 3.4Å; F171-W185 HydrophobicContact CD2-CE3 4.03Å; F171-W185 HydrophobicContact CD2-CZ3 4.19Å; F171-W185 HydrophobicContact CE1-CD2 4.44Å; F171-W185 AromaticContact CE1-CE3 3.39Å; F171-W185 HydrophobicContact CE1-CE3 3.39Å; F171-W185 AromaticContact CE1-CZ3 3.45Å; F171-W185 HydrophobicContact CE1-CZ3 3.45Å; F171-W185 VanDerWaalsContact CE1-CZ3 3.45Å; F171-W185 AromaticContact CE2-CE3 3.68Å; F171-W185 HydrophobicContact CE2-CE3 3.68Å; F171-W185 HydrophobicContact CE2-CZ3 4.25Å; F171-W185 HydrophobicContact CG-CE3 4.08Å; F171-W185 AromaticContact CG-CZ3 3.78Å; F171-W185 HydrophobicContact CG-CZ3 3.78Å; F171-W185 HydrophobicContact CZ-CB 4.5Å; F171-W185 HydrophobicContact CZ-CD2 4.28Å; F171-W185 AromaticContact CZ-CE3 3.34Å; F171-W185 HydrophobicContact CZ-CE3 3.34Å; F171-W185 AromaticContact CZ-CZ3 3.9Å; F171-W185 HydrophobicContact CZ-CZ3 3.9Å
172F97.8Very high96.4Very high6 Ų638.5 Ų38.53%0.02620%0.197CC..Hα-helixtrans-90.9-21.7-171.2-75.3-76000114.5W14 M18 L21 L95 L99 F107 F111 W139 F168 W185W14-F172 PolarHBondContact NE1-O 3.07Å; M18-F172 HydrophobicContact CE-CD1 3.98Å; M18-F172 HydrophobicContact CE-CE1 4.31Å; M18-F172 HydrophobicContact SD-CD1 4.01Å; M18-F172 HydrophobicContact SD-CE1 4.21Å; L21-F172 HydrophobicContact CD2-CE1 3.52Å; L21-F172 HydrophobicContact CD2-CZ 3.75Å; L95-F172 HydrophobicContact CD2-CE1 4.37Å; L99-F172 WeakPolarHBondContact CD1-O 3.48Å; F107-F172 HydrophobicContact CE2-CB 3.99Å; F107-F172 HydrophobicContact CZ-CB 4.01Å; F107-F172 HydrophobicContact CZ-CD2 4.42Å; F111-F172 AromaticContact CE1-CD2 3.98Å; F111-F172 HydrophobicContact CE1-CD2 3.98Å; F111-F172 HydrophobicContact CE1-CE2 4.02Å; F111-F172 HydrophobicContact CE1-CG 4.5Å; F111-F172 HydrophobicContact CZ-CD2 4.28Å; F111-F172 AromaticContact CZ-CE2 3.83Å; F111-F172 HydrophobicContact CZ-CE2 3.83Å; F111-F172 HydrophobicContact CZ-CZ 4.16Å; W139-F172 HydrophobicContact CH2-CZ 4.48Å; F168-F172 HydrophobicContact CB-CD2 4.39Å; F168-F172 HydrophobicContact CD1-CD2 4.01Å; F168-F172 AromaticContact CD1-CE2 3.76Å; F168-F172 HydrophobicContact CD1-CE2 3.76Å; F168-F172 HydrophobicContact CE1-CE2 4.37Å; F168-F172 WeakPolarHBondContact O-CB 3.45Å; F168-F172 PolarHBondContact O-N 3.03Å; F172-W185 AromaticContact CE2-CH2 3.89Å; F172-W185 HydrophobicContact CE2-CH2 3.89Å; F172-W185 HydrophobicContact CE2-CZ3 4.12Å; F172-W185 AromaticContact CZ-CH2 3.9Å; F172-W185 HydrophobicContact CZ-CH2 3.9Å; F172-W185 HydrophobicContact CZ-CZ3 4.19Å
173I97.3Very high96.2Very high0 Ų037.6 Ų37.60%019%0.193CC..THydrogen-bonded Turntrans-108.9-51.2-172.4-51.2-60.5000111.5L5 P6 V8 L99 F107 I169L5-I173 HydrophobicContact CD2-CG1 4.41Å; P6-I173 HydrophobicContact CB-CG2 3.96Å; P6-I173 HydrophobicContact CG-CG2 4.38Å; P6-I173 WeakPolarHBondContact O-CG2 3.43Å; V8-I173 HydrophobicContact CG2-CB 4.13Å; V8-I173 HydrophobicContact CG2-CD1 3.54Å; V8-I173 HydrophobicContact CG2-CG1 4.41Å; V8-I173 HydrophobicContact CG2-CG2 3.67Å; L99-I173 HydrophobicContact CD2-CD1 3.69Å; F107-I173 HydrophobicContact CD2-CD1 4.14Å; F107-I173 HydrophobicContact CE2-CD1 3.96Å; F107-I173 HydrophobicContact CE2-CG1 4.35Å; F107-I173 HydrophobicContact CZ-CD1 4.49Å; F107-I173 HydrophobicContact CZ-CG1 4.39Å; I169-I173 HydrophobicContact CG2-CB 4.22Å; I169-I173 HydrophobicContact CG2-CG1 4.3Å; I169-I173 WeakPolarHBondContact O-CA 3.25Å; I169-I173 WeakPolarHBondContact O-CB 3.23Å; I169-I173 PolarHBondContact O-N 3.49Å
174L96.6Very high96.2Very high56 Ų5636.7 Ų36.729%0.29319%0.188SC..  trans-73.6147.5-170.8-63.2-176.2000112.8P6 K17 I169 D170P6-L174 HydrophobicContact CB-CD2 3.87Å; P6-L174 HydrophobicContact CG-CD2 3.68Å; K17-L174 PolarHBondContact NZ-O 2.79Å; I169-L174 PolarHBondContact O-N 3.41Å; D170-L174 HydrophobicContact CB-CD1 4.24Å
175D96.4Very high96.1Very high59 Ų5936.8 Ų36.832%0.31619%0.189SC..  trans-108.467.5170.6-171.531.9000109.9G11 T13 W14G11-D175 WeakPolarHBondContact CA-OD2 3.32Å; T13-D175 VanDerWaalsContact CA-OD1 3.24Å; T13-D175 WeakPolarHBondContact CA-OD1 3.34Å; T13-D175 WeakPolarHBondContact CB-OD1 3.25Å; T13-D175 PolarHBondContact N-OD1 3.32Å; T13-D175 PolarHBondContact OG1-OD1 2.71Å; W14-D175 HydrophobicContact CB-CB 4.41Å; W14-D175 PolarHBondContact N-OD1 3.22Å
176N95.5Very high95.8Very high65 Ų6536 Ų3635%0.34819%0.185SC..  trans-115.4103.8-175-179.87.3000112.1K178 S179 N182N176-K178 PolarHBondContact O-N 3.24Å; N176-K178 VanDerWaalsContact O-N 3.14Å; N176-K178 PolarHBondContact OD1-N 2.96Å; N176-S179 PolarHBondContact O-N 2.83Å; N176-N182 PolarHBondContact O-ND2 2.98Å; N176-N182 PolarHBondContact O-OD1 3.04Å
177S94.9Very high95.5Very high87 Ų8736 Ų3661%0.60819%0.189SC*.THydrogen-bonded Turntrans-64.3-17.1179.560.30000115N182S177-N182 PolarHBondContact O-ND2 2.89Å
178K95.5Very high95.3Very high183 Ų18337.1 Ų37.180%0.79620%0.195SC*.THydrogen-bonded Turntrans-99.80.6-178.8-61.7-178.7-179.6178.20113.6N176N176-K178 PolarHBondContact O-N 3.24Å; N176-K178 VanDerWaalsContact O-N 3.14Å; N176-K178 PolarHBondContact OD1-N 2.96Å
179S95.3Very high95Very high13 Ų1337.6 Ų37.69%0.09120%0.197CC..  trans-69.5134.7180-176.80000111.4D170 N176 I181 N182D170-S179 WeakPolarHBondContact OD1-CB 3.48Å; D170-S179 PolarHBondContact OD1-OG 3.2Å; D170-S179 VanDerWaalsContact OD1-OG 3.06Å; D170-S179 PolarHBondContact OD2-OG 2.94Å; N176-S179 PolarHBondContact O-N 2.83Å; S179-I181 PolarHBondContact O-N 3.29Å; S179-I181 WeakPolarHBondContact OG-CB 3.39Å; S179-I181 PolarHBondContact OG-N 3.38Å; S179-I181 VanDerWaalsContact OG-N 3.08Å; S179-N182 VanDerWaalsContact O-CB 3.27Å; S179-N182 WeakPolarHBondContact O-CB 3.44Å; S179-N182 VanDerWaalsContact O-CG 3.29Å; S179-N182 PolarHBondContact O-N 2.95Å; S179-N182 PolarHBondContact O-ND2 2.92Å
180N92.6Very high94.7Very high91 Ų9141.9 Ų41.949%0.48722%0.22SC..G310 helixtrans-63.9-23.2170.4-67-19.8000111.7Y152 N182 Q183Y152-N180 HydrophobicContact CD2-CB 4.3Å; Y152-N180 HydrophobicContact CE2-CB 4.26Å; N180-N182 PolarHBondContact O-N 3.4Å; N180-Q183 PolarHBondContact O-N 3.31Å
181I96.4Very high94.5Very high0 Ų041.4 Ų41.40%022%0.217CC..G310 helixtrans-69.1-16.4177.4-64.7-56.4000112.5I149 Y153 I167 D170 F171 S179 Q183 L184I149-I181 HydrophobicContact CD1-CD1 4.42Å; I149-I181 HydrophobicContact CG1-CD1 4.28Å; I149-I181 HydrophobicContact CG2-CD1 3.56Å; Y153-I181 HydrophobicContact CD2-CD1 4.02Å; Y153-I181 HydrophobicContact CE2-CD1 3.3Å; Y153-I181 HydrophobicContact CE2-CG1 3.85Å; Y153-I181 WeakPolarHBondContact OH-CG1 3.29Å; I167-I181 HydrophobicContact CB-CD1 4.45Å; I167-I181 HydrophobicContact CG1-CD1 4.21Å; I167-I181 HydrophobicContact CG2-CD1 4.07Å; I167-I181 WeakPolarHBondContact O-CG2 3.39Å; D170-I181 HydrophobicContact CB-CB 4.13Å; D170-I181 HydrophobicContact CB-CG1 4.07Å; D170-I181 HydrophobicContact CB-CG2 4.09Å; F171-I181 HydrophobicContact CB-CG2 3.63Å; F171-I181 HydrophobicContact CD2-CG2 4Å; F171-I181 WeakPolarHBondContact CD2-O 3.17Å; F171-I181 HydrophobicContact CG-CG2 4.32Å; S179-I181 PolarHBondContact O-N 3.29Å; S179-I181 WeakPolarHBondContact OG-CB 3.39Å; S179-I181 PolarHBondContact OG-N 3.38Å; S179-I181 VanDerWaalsContact OG-N 3.08Å; I181-Q183 PolarHBondContact O-N 3.08Å; I181-L184 HydrophobicContact CG2-CB 4.29Å; I181-L184 HydrophobicContact CG2-CD2 4.29Å; I181-L184 WeakPolarHBondContact O-CB 3.37Å; I181-L184 PolarHBondContact O-N 2.88Å
182N95.5Very high94.3Very high12 Ų1247.3 Ų47.36%0.06424%0.242CC..G310 helixtrans-55.5-23.8175.1-71.7-21.4000112.7N176 S177 S179 N180 L184 L188N176-N182 PolarHBondContact O-ND2 2.98Å; N176-N182 PolarHBondContact O-OD1 3.04Å; S177-N182 PolarHBondContact O-ND2 2.89Å; S179-N182 VanDerWaalsContact O-CB 3.27Å; S179-N182 WeakPolarHBondContact O-CB 3.44Å; S179-N182 VanDerWaalsContact O-CG 3.29Å; S179-N182 PolarHBondContact O-N 2.95Å; S179-N182 PolarHBondContact O-ND2 2.92Å; N180-N182 PolarHBondContact O-N 3.4Å; N182-L184 VanDerWaalsContact C-N 3.35Å; N182-L188 HydrophobicContact CB-CD1 3.74Å; N182-L188 HydrophobicContact CB-CG 4Å; N182-L188 WeakPolarHBondContact O-CD2 3.45Å
183Q93.1Very high93.9Very high71 Ų7147.8 Ų47.833%0.33224%0.244SC..G310 helixtrans-876.2176.4-66.5178.7-14.800114.4D145 N180 I181 W185 G186 L187D145-Q183 WeakPolarHBondContact CB-O 3.24Å; N180-Q183 PolarHBondContact O-N 3.31Å; I181-Q183 PolarHBondContact O-N 3.08Å; Q183-W185 PolarHBondContact O-N 3.13Å; Q183-G186 WeakPolarHBondContact CA-O 3.41Å; Q183-G186 PolarHBondContact O-N 3.44Å; Q183-L187 HydrophobicContact CG-CD2 4.36Å
184L95.7Very high93.6Very high0 Ų047.9 Ų47.90%025%0.245CC..THydrogen-bonded Turntrans-59.3-23.1-176-175.661.1000113.9F132 M136 S141 I149 I167 F171 I181 N182F132-L184 HydrophobicContact CZ-CD1 4.29Å; M136-L184 HydrophobicContact CE-CD1 3.64Å; M136-L184 HydrophobicContact CE-CD2 4.22Å; M136-L184 HydrophobicContact CE-CG 3.78Å; M136-L184 HydrophobicContact SD-CD1 4.45Å; S141-L184 WeakPolarHBondContact CB-O 3.44Å; S141-L184 PolarHBondContact OG-O 3.45Å; I149-L184 HydrophobicContact CD1-CB 3.72Å; I149-L184 HydrophobicContact CD1-CD1 3.6Å; I149-L184 HydrophobicContact CD1-CG 4.28Å; I149-L184 HydrophobicContact CG2-CD1 4.28Å; I167-L184 HydrophobicContact CG2-CD1 4.33Å; I167-L184 HydrophobicContact CG2-CD2 3.76Å; F171-L184 HydrophobicContact CB-CD2 3.97Å; F171-L184 HydrophobicContact CD2-CB 3.74Å; F171-L184 HydrophobicContact CD2-CD2 4.12Å; F171-L184 HydrophobicContact CD2-CG 4.48Å; F171-L184 HydrophobicContact CE2-CB 4.05Å; F171-L184 HydrophobicContact CG-CB 4.49Å; F171-L184 HydrophobicContact CG-CD2 4.04Å; I181-L184 HydrophobicContact CG2-CB 4.29Å; I181-L184 HydrophobicContact CG2-CD2 4.29Å; I181-L184 WeakPolarHBondContact O-CB 3.37Å; I181-L184 PolarHBondContact O-N 2.88Å; N182-L184 VanDerWaalsContact C-N 3.35Å
185W95.3Very high93.3Very high2 Ų249.5 Ų49.51%0.00825%0.251CS..THydrogen-bonded Turntrans-122.227.2171.6-87.3-84.2000112.1T20 L21 R24 M136 W139 F168 F171 F172 Q183T20-W185 HydrophobicContact CG2-CB 4.37Å; L21-W185 HydrophobicContact CD1-CD2 3.79Å; L21-W185 VanDerWaalsContact CD1-CE2 3.46Å; L21-W185 HydrophobicContact CD1-CE3 4.4Å; L21-W185 HydrophobicContact CD1-CG 4.07Å; L21-W185 HydrophobicContact CD1-CH2 4.38Å; L21-W185 HydrophobicContact CD1-CZ2 3.8Å; R24-W185 HydrophobicContact CG-CB 4.01Å; R24-W185 HydrophobicContact CG-CG 4.45Å; R24-W185 VanDerWaalsContact CG-O 3.28Å; R24-W185 WeakPolarHBondContact CG-O 3.26Å; M136-W185 HydrophobicContact CE-CD2 4.48Å; M136-W185 HydrophobicContact CE-CH2 3.87Å; M136-W185 HydrophobicContact CE-CZ2 3.64Å; M136-W185 HydrophobicContact CE-CZ3 4.34Å; W139-W185 AromaticContact CD2-CZ2 3.79Å; W139-W185 HydrophobicContact CD2-CZ2 3.79Å; W139-W185 AromaticContact CE2-CZ2 3.95Å; W139-W185 HydrophobicContact CE3-CZ2 4.06Å; W139-W185 HydrophobicContact CG-CZ2 4.06Å; W139-W185 HydrophobicContact CH2-CH2 4.47Å; W139-W185 HydrophobicContact CZ2-CZ2 4.34Å; W139-W185 HydrophobicContact CZ3-CH2 4.46Å; W139-W185 HydrophobicContact CZ3-CZ2 4.41Å; W139-W185 PolarHBondContact O-NE1 3.22Å; F168-W185 HydrophobicContact CE1-CH2 4.14Å; F171-W185 AromaticContact CD1-CE3 3.78Å; F171-W185 HydrophobicContact CD1-CE3 3.78Å; F171-W185 HydrophobicContact CD1-CH2 4.48Å; F171-W185 AromaticContact CD1-CZ3 3.4Å; F171-W185 HydrophobicContact CD1-CZ3 3.4Å; F171-W185 HydrophobicContact CD2-CE3 4.03Å; F171-W185 HydrophobicContact CD2-CZ3 4.19Å; F171-W185 HydrophobicContact CE1-CD2 4.44Å; F171-W185 AromaticContact CE1-CE3 3.39Å; F171-W185 HydrophobicContact CE1-CE3 3.39Å; F171-W185 AromaticContact CE1-CZ3 3.45Å; F171-W185 HydrophobicContact CE1-CZ3 3.45Å; F171-W185 VanDerWaalsContact CE1-CZ3 3.45Å; F171-W185 AromaticContact CE2-CE3 3.68Å; F171-W185 HydrophobicContact CE2-CE3 3.68Å; F171-W185 HydrophobicContact CE2-CZ3 4.25Å; F171-W185 HydrophobicContact CG-CE3 4.08Å; F171-W185 AromaticContact CG-CZ3 3.78Å; F171-W185 HydrophobicContact CG-CZ3 3.78Å; F171-W185 HydrophobicContact CZ-CB 4.5Å; F171-W185 HydrophobicContact CZ-CD2 4.28Å; F171-W185 AromaticContact CZ-CE3 3.34Å; F171-W185 HydrophobicContact CZ-CE3 3.34Å; F171-W185 AromaticContact CZ-CZ3 3.9Å; F171-W185 HydrophobicContact CZ-CZ3 3.9Å; F172-W185 AromaticContact CE2-CH2 3.89Å; F172-W185 HydrophobicContact CE2-CH2 3.89Å; F172-W185 HydrophobicContact CE2-CZ3 4.12Å; F172-W185 AromaticContact CZ-CH2 3.9Å; F172-W185 HydrophobicContact CZ-CH2 3.9Å; F172-W185 HydrophobicContact CZ-CZ3 4.19Å; Q183-W185 PolarHBondContact O-N 3.13Å
186G91Very high93.1Very high2 Ų251.4 Ų51.42%0.02126%0.261CS..SBendtrans92.7-179-173.900000113.7D145 Q183 L188D145-G186 WeakPolarHBondContact OD2-CA 3.2Å; Q183-G186 WeakPolarHBondContact CA-O 3.41Å; Q183-G186 PolarHBondContact O-N 3.44Å; G186-L188 PolarHBondContact O-N 2.67Å
187L90.3Very high93Very high79 Ų7950.3 Ų50.341%0.41425%0.253SS..SBendtrans-54.9134.4177.2-67.7175.4000110.9Q183 I189Q183-L187 HydrophobicContact CG-CD2 4.36Å; L187-I189 PolarHBondContact O-N 2.87Å
188L93.7Very high92.9Very high23 Ų2348 Ų4812%0.1224%0.242CC..  trans-67.8121.3179.1-66.2-169.1000111.1T13 R16 K17 T20 N182 G186 N190T13-L188 HydrophobicContact CG2-CD1 3.89Å; R16-L188 HydrophobicContact CB-CB 4.34Å; R16-L188 HydrophobicContact CB-CD1 4.27Å; R16-L188 PolarHBondContact NH2-O 3.41Å; K17-L188 HydrophobicContact CB-CD2 4.35Å; K17-L188 HydrophobicContact CG-CD1 3.95Å; K17-L188 HydrophobicContact CG-CD2 3.71Å; K17-L188 HydrophobicContact CG-CG 4.5Å; T20-L188 HydrophobicContact CG2-CD2 4.45Å; N182-L188 HydrophobicContact CB-CD1 3.74Å; N182-L188 HydrophobicContact CB-CG 4Å; N182-L188 WeakPolarHBondContact O-CD2 3.45Å; G186-L188 PolarHBondContact O-N 2.67Å; L188-N190 PolarHBondContact O-N 3.05Å
189I90Very high92.9Very high10 Ų1044.6 Ų44.65%0.05124%0.237CC..  trans-45.3129.9172.2-67.6176.3000110.4R16 T20 R23 L187 Y191R16-I189 PolarHBondContact NE-O 2.98Å; T20-I189 PolarHBondContact OG1-N 2.87Å; T20-I189 VanDerWaalsContact OG1-N 3.15Å; R23-I189 HydrophobicContact CB-CD1 3.98Å; R23-I189 HydrophobicContact CG-CD1 3.6Å; L187-I189 PolarHBondContact O-N 2.87Å; I189-Y191 HydrophobicContact CG2-CD1 3.46Å; I189-Y191 VanDerWaalsContact CG2-CD1 3.46Å; I189-Y191 HydrophobicContact CG2-CE1 3.21Å
190N91.3Very high93Very high101 Ų10144.5 Ų44.554%0.5424%0.235SC..  trans-144.82.1-173-156.940.1000114.9R16 L188 D352R16-N190 PolarHBondContact NH1-OD1 3.41Å; R16-N190 VanDerWaalsContact NH1-OD1 3.07Å; R16-N190 VanDerWaalsContact NH2-CB 3.29Å; R16-N190 VanDerWaalsContact NH2-CG 3.31Å; R16-N190 PolarHBondContact NH2-OD1 3.29Å; L188-N190 PolarHBondContact O-N 3.05Å; N190-D352 WeakPolarHBondContact CA-OD1 2.93Å; N190-D352 PolarHBondContact N-OD1 2.56Å
191Y92.3Very high93.2Very high9 Ų947 Ų474%0.03525%0.249CC..PPolyproline II helixtrans-61.3148.117767.7-96.7000111.4I189 R193 D297 D352 L355 T356 N359I189-Y191 HydrophobicContact CG2-CD1 3.46Å; I189-Y191 VanDerWaalsContact CG2-CD1 3.46Å; I189-Y191 HydrophobicContact CG2-CE1 3.21Å; Y191-R193 HydrophobicContact CD2-CG 4.32Å; Y191-R193 HydrophobicContact CE2-CG 3.86Å; Y191-R193 PolarHBondContact O-N 3.19Å; Y191-R193 PolarHBondContact OH-NH2 2.84Å; Y191-D297 HydrophobicContact CE2-CB 4.06Å; Y191-D297 PolarHBondContact OH-OD2 3.3Å; Y191-D352 PolarHBondContact N-OD1 3.37Å; Y191-L355 HydrophobicContact CD1-CB 3.58Å; Y191-L355 HydrophobicContact CD1-CD1 3.82Å; Y191-L355 HydrophobicContact CD1-CG 4.35Å; Y191-L355 HydrophobicContact CD2-CB 4.04Å; Y191-L355 HydrophobicContact CE1-CB 3.86Å; Y191-L355 HydrophobicContact CE1-CD1 3.28Å; Y191-L355 HydrophobicContact CE1-CG 4.19Å; Y191-L355 HydrophobicContact CE2-CB 4.29Å; Y191-L355 HydrophobicContact CG-CB 3.71Å; Y191-T356 VanDerWaalsContact CB-OG1 3.22Å; Y191-T356 WeakPolarHBondContact CB-OG1 3.37Å; Y191-N359 WeakPolarHBondContact CD2-ND2 3.08Å; Y191-N359 VanDerWaalsContact CE2-ND2 3.27Å; Y191-N359 WeakPolarHBondContact CE2-ND2 3.1Å
192K92.9Very high93.2Very high124 Ų12447.1 Ų47.154%0.53925%0.249SC..PPolyproline II helixtrans-63.7128.3172.8-74.2-174.2177.3-176.80110.2D196 Y197 N359K192-D196 HydrophobicContact CB-CB 4.19Å; K192-D196 HydrophobicContact CG-CB 4.39Å; K192-Y197 HydrophobicContact CB-CD2 4.35Å; K192-Y197 HydrophobicContact CB-CE2 3.52Å; K192-Y197 HydrophobicContact CD-CE1 4.44Å; K192-Y197 HydrophobicContact CD-CE2 4.39Å; K192-N359 PolarHBondContact O-ND2 2.89Å
193R89.8Confident93.2Very high16 Ų1647.6 Ų47.66%0.0626%0.257CS..PPolyproline II helixtrans-90.4170.8177.6-65.4-160.2155-163.3-4.9111.6R19 E88 Y191 E195 D196 Y197 D297R19-R193 VanDerWaalsContact NE-NH1 3.13Å; E88-R193 VanDerWaalsContact CD-NH2 3.28Å; E88-R193 IonicContact OE1-CZ 3.65Å; E88-R193 IonicContact OE1-NH1 3.72Å; E88-R193 PolarHBondContact OE1-NH1 3.45Å; E88-R193 IonicContact OE1-NH2 2.65Å; E88-R193 PolarHBondContact OE1-NH2 3.26Å; E88-R193 IonicContact OE2-CZ 3.16Å; E88-R193 IonicContact OE2-NH2 3.11Å; E88-R193 PolarHBondContact OE2-NH2 2.92Å; Y191-R193 HydrophobicContact CD2-CG 4.32Å; Y191-R193 HydrophobicContact CE2-CG 3.86Å; Y191-R193 PolarHBondContact O-N 3.19Å; Y191-R193 PolarHBondContact OH-NH2 2.84Å; R193-E195 HydrophobicContact CB-CG 4.19Å; R193-E195 VanDerWaalsContact CB-OE2 3.26Å; R193-E195 WeakPolarHBondContact CB-OE2 3.42Å; R193-E195 PolarHBondContact O-N 2.65Å; R193-D196 PolarHBondContact N-OD2 3.08Å; R193-D196 WeakPolarHBondContact O-CB 3.39Å; R193-D196 PolarHBondContact O-N 3.06Å; R193-Y197 VanDerWaalsContact O-CD2 3.23Å; R193-Y197 WeakPolarHBondContact O-CD2 3.4Å; R193-D297 IonicContact CZ-OD2 3.43Å; R193-D297 IonicContact NE-OD2 2.81Å
194A92.1Very high93.3Very high3 Ų349.2 Ų49.23%0.02527%0.273CS..Hα-helixtrans-55-39.8-177.400000112.2D196 Y197 R293 L363A194-D196 PolarHBondContact O-N 3.46Å; A194-Y197 PolarHBondContact O-N 3.39Å; A194-R293 HydrophobicContact CB-CB 4.22Å; A194-R293 HydrophobicContact CB-CG 3.86Å; A194-R293 PolarHBondContact O-NE 3.48Å; A194-R293 PolarHBondContact O-NH2 3.49Å; A194-L363 HydrophobicContact CB-CD1 3.99Å
195E89.6Confident93.3Very high90 Ų9051.2 Ų51.242%0.42129%0.286SS..Hα-helixtrans-61-25.817657.3-91.9-147.900114.4R193 H294R193-E195 HydrophobicContact CB-CG 4.19Å; R193-E195 VanDerWaalsContact CB-OE2 3.26Å; R193-E195 WeakPolarHBondContact CB-OE2 3.42Å; R193-E195 PolarHBondContact O-N 2.65Å; E195-H294 IonicContact OE2-CE1 3.47Å; E195-H294 PolarHBondContact OE2-CE1 2.88Å; E195-H294 IonicContact OE2-ND1 3.98Å; E195-H294 PolarHBondContact OE2-ND1 3.24Å
196D92.7Very high93.4Very high99 Ų9951.1 Ų51.153%0.52929%0.285SS..Hα-helixtrans-81.2-14.8-176-60-47000113.7K192 R193 A194K192-D196 HydrophobicContact CB-CB 4.19Å; K192-D196 HydrophobicContact CG-CB 4.39Å; R193-D196 PolarHBondContact N-OD2 3.08Å; R193-D196 WeakPolarHBondContact O-CB 3.39Å; R193-D196 PolarHBondContact O-N 3.06Å; A194-D196 PolarHBondContact O-N 3.46Å
197Y93.9Very high93.7Very high42 Ų4253.5 Ų53.517%0.16530%0.296CS..Hα-helixtrans-90.8-18.2-178.9-71.3-92.8000113.7K192 R193 A194 N359 D360 L363K192-Y197 HydrophobicContact CB-CD2 4.35Å; K192-Y197 HydrophobicContact CB-CE2 3.52Å; K192-Y197 HydrophobicContact CD-CE1 4.44Å; K192-Y197 HydrophobicContact CD-CE2 4.39Å; R193-Y197 VanDerWaalsContact O-CD2 3.23Å; R193-Y197 WeakPolarHBondContact O-CD2 3.4Å; A194-Y197 PolarHBondContact O-N 3.39Å; Y197-N359 HydrophobicContact CE2-CB 4.16Å; Y197-D360 PolarHBondContact OH-N 3.06Å; Y197-L363 HydrophobicContact CD1-CB 3.78Å; Y197-L363 WeakPolarHBondContact CD1-O 3.27Å; Y197-L363 HydrophobicContact CD2-CB 3.69Å; Y197-L363 HydrophobicContact CD2-CD1 3.73Å; Y197-L363 HydrophobicContact CD2-CG 4.39Å; Y197-L363 HydrophobicContact CE1-CB 4.13Å; Y197-L363 HydrophobicContact CE2-CB 4.07Å; Y197-L363 HydrophobicContact CE2-CD1 4.03Å; Y197-L363 HydrophobicContact CG-CB 3.55Å; Y197-L363 HydrophobicContact CG-CD1 4.37Å
198G92.6Very high94.1Very high37 Ų3750.5 Ų50.538%0.38128%0.281SS..  trans66.6-168.4-171.100000113.4R293G198-R293 PolarHBondContact O-NH1 2.8Å; G198-R293 VanDerWaalsContact O-NH1 3.16Å; G198-R293 PolarHBondContact O-NH2 3.24Å
199T95.5Very high94.3Very high113 Ų11349.5 Ų49.569%0.69328%0.276SS*.  trans-71.4137.7175.5-55.20000110.4
200I96.2Very high94.6Very high10 Ų1049 Ų495%0.05127%0.274CS..  trans-101.2126.3-177.4-49.9-49.6000109C202 W206 I288 N289 L363 E365I200-C202 PolarHBondContact O-N 2.89Å; I200-C202 PolarHBondContact O-SG 3.41Å; I200-W206 HydrophobicContact CG2-CG 4.43Å; I200-I288 HydrophobicContact CB-CD1 3.96Å; I200-I288 HydrophobicContact CG1-CD1 4.06Å; I200-I288 HydrophobicContact CG2-CD1 4.13Å; I200-N289 PolarHBondContact N-OD1 2.79Å; I200-N289 PolarHBondContact O-ND2 2.91Å; I200-L363 WeakPolarHBondContact CD1-O 3.48Å; I200-E365 HydrophobicContact CG2-CG 3.64Å; I200-E365 WeakPolarHBondContact CG2-OE2 3.22Å
201D96.3Very high94.9Very high145 Ų14545.3 Ų45.378%0.77525%0.252SS*.  trans-68.6-20.6-179.1-69.1-28.8000111.7E365D201-E365 WeakPolarHBondContact CA-OE2 3.45Å; D201-E365 WeakPolarHBondContact CB-OE2 3.48Å; D201-E365 PolarHBondContact N-OE2 3.42Å
202C96.9Very high95.1Very high2 Ų245 Ų451%0.01425%0.251CS..  trans60.144.4177.1-59.10000112.2I200 W206 E207 R285 E365I200-C202 PolarHBondContact O-N 2.89Å; I200-C202 PolarHBondContact O-SG 3.41Å; C202-W206 HydrophobicContact CB-CD2 3.89Å; C202-W206 HydrophobicContact CB-CE3 3.55Å; C202-W206 HydrophobicContact CB-CG 4.41Å; C202-W206 HydrophobicContact CB-CZ3 3.93Å; C202-E207 WeakPolarHBondContact O-CG 3.28Å; C202-R285 HydrophobicContact CB-CG 4.1Å; C202-R285 VanDerWaalsContact CB-NE 3.25Å; C202-R285 PolarHBondContact O-NH2 3.33Å; C202-E365 PolarHBondContact N-OE1 3.26Å; C202-E365 PolarHBondContact N-OE2 3.02Å
203G95.9Very high95.2Very high21 Ų2139.9 Ų39.922%0.21623%0.229CC..  trans-76.2-166.7178.700000113.9V205 W206 E207 E365G203-V205 VanDerWaalsContact C-N 3.3Å; G203-V205 PolarHBondContact O-N 3.41Å; G203-V205 VanDerWaalsContact O-N 3.17Å; G203-W206 PolarHBondContact O-N 3.39Å; G203-W206 VanDerWaalsContact O-N 3.11Å; G203-E207 PolarHBondContact O-N 3.44Å; G203-E365 PolarHBondContact N-OE1 3.32Å
204P95.7Very high95.5Very high105 Ų10539.1 Ų39.168%0.68223%0.226SC*.Hα-helixtrans-58.8-34.7-169.5-27.435.2000115.1S208P204-S208 VanDerWaalsContact O-CB 3.29Å; P204-S208 WeakPolarHBondContact O-CB 3.37Å; P204-S208 PolarHBondContact O-N 3.5Å; P204-S208 PolarHBondContact O-OG 3.44Å
205V96.3Very high95.6Very high43 Ų4343 Ų4326%0.26124%0.241SC..Hα-helixtrans-65.1-49.2177.9177.10000110.1G203 S208 K209 P367G203-V205 VanDerWaalsContact C-N 3.3Å; G203-V205 PolarHBondContact O-N 3.41Å; G203-V205 VanDerWaalsContact O-N 3.17Å; V205-S208 PolarHBondContact O-N 2.9Å; V205-K209 PolarHBondContact O-N 2.87Å; V205-P367 HydrophobicContact CG2-CB 3.95Å
206W97.4Very high95.8Very high0 Ų041.2 Ų41.20%023%0.23CC..Hα-helixtrans-63.7-49.1178.6-17691000111.7I200 C202 G203 S208 K209 I210 V281 M284 R285 I288 F362 E365I200-W206 HydrophobicContact CG2-CG 4.43Å; C202-W206 HydrophobicContact CB-CD2 3.89Å; C202-W206 HydrophobicContact CB-CE3 3.55Å; C202-W206 HydrophobicContact CB-CG 4.41Å; C202-W206 HydrophobicContact CB-CZ3 3.93Å; G203-W206 PolarHBondContact O-N 3.39Å; G203-W206 VanDerWaalsContact O-N 3.11Å; W206-S208 VanDerWaalsContact C-N 3.26Å; W206-S208 PolarHBondContact O-N 2.93Å; W206-K209 WeakPolarHBondContact O-CB 3.11Å; W206-K209 PolarHBondContact O-N 3.44Å; W206-I210 HydrophobicContact CD2-CG1 3.87Å; W206-I210 HydrophobicContact CE3-CG1 3.99Å; W206-I210 HydrophobicContact CH2-CB 4.42Å; W206-I210 HydrophobicContact CH2-CG1 3.62Å; W206-I210 HydrophobicContact CZ2-CD1 4.03Å; W206-I210 HydrophobicContact CZ2-CG1 3.5Å; W206-I210 HydrophobicContact CZ3-CB 4.44Å; W206-I210 HydrophobicContact CZ3-CG1 3.87Å; W206-I210 PolarHBondContact O-N 3.17Å; W206-V281 HydrophobicContact CZ3-CG1 3.97Å; W206-M284 HydrophobicContact CH2-CB 3.96Å; W206-M284 HydrophobicContact CZ2-CB 4.22Å; W206-R285 HydrophobicContact CH2-CB 3.71Å; W206-R285 HydrophobicContact CZ3-CB 4.1Å; W206-I288 VanDerWaalsContact CE2-CD1 3.43Å; W206-I288 HydrophobicContact CZ2-CD1 3.45Å; W206-I288 VanDerWaalsContact CZ2-CD1 3.45Å; W206-I288 HydrophobicContact CZ2-CG1 4.07Å; W206-F362 PolarHBondContact NE1-O 3.42Å; W206-E365 HydrophobicContact CB-CG 4.15Å
207E97.3Very high95.8Very high52 Ų5236.8 Ų36.824%0.24321%0.206CC..Hα-helixtrans-58.8-40.3179.1-71.2-172.1172.700111.5C202 G203 K209 I210 R211 V281 R285C202-E207 WeakPolarHBondContact O-CG 3.28Å; G203-E207 PolarHBondContact O-N 3.44Å; E207-K209 VanDerWaalsContact C-N 3.31Å; E207-K209 PolarHBondContact O-N 3.28Å; E207-I210 PolarHBondContact O-N 3.4Å; E207-R211 WeakPolarHBondContact O-CB 3.2Å; E207-R211 VanDerWaalsContact O-CG 3.24Å; E207-R211 WeakPolarHBondContact O-CG 3.43Å; E207-R211 PolarHBondContact O-N 2.93Å; E207-R211 IonicContact OE2-CZ 2.66Å; E207-R211 IonicContact OE2-NH2 3.39Å; E207-R211 PolarHBondContact OE2-NH2 3.44Å; E207-V281 HydrophobicContact CG-CG1 4.25Å; E207-R285 IonicContact OE1-CZ 3.97Å; E207-R285 IonicContact OE1-NH2 3.59Å; E207-R285 PolarHBondContact OE1-NH2 3.07Å
208S97.4Very high95.8Very high15 Ų1535.5 Ų35.511%0.10520%0.202CC..Hα-helixtrans-64.4-36.4178.8-56.60000112P204 V205 W206 T212 I379P204-S208 VanDerWaalsContact O-CB 3.29Å; P204-S208 WeakPolarHBondContact O-CB 3.37Å; P204-S208 PolarHBondContact O-N 3.5Å; P204-S208 PolarHBondContact O-OG 3.44Å; V205-S208 PolarHBondContact O-N 2.9Å; W206-S208 VanDerWaalsContact C-N 3.26Å; W206-S208 PolarHBondContact O-N 2.93Å; S208-T212 PolarHBondContact O-N 2.94Å; S208-T212 PolarHBondContact O-OG1 3.43Å; S208-I379 WeakPolarHBondContact CA-O 3.44Å; S208-I379 WeakPolarHBondContact CB-O 3.49Å
209K97.8Very high95.5Very high3 Ų336.3 Ų36.31%0.01320%0.197CC..Hα-helixtrans-60.2-55.3170.8-70.9-172.9-66178.90110.1V205 W206 E207 R211 T212 M213 D360 Y361 S364 R372 V378V205-K209 PolarHBondContact O-N 2.87Å; W206-K209 WeakPolarHBondContact O-CB 3.11Å; W206-K209 PolarHBondContact O-N 3.44Å; E207-K209 VanDerWaalsContact C-N 3.31Å; E207-K209 PolarHBondContact O-N 3.28Å; K209-R211 VanDerWaalsContact C-N 3.31Å; K209-R211 PolarHBondContact O-N 2.67Å; K209-T212 WeakPolarHBondContact O-CA 3.43Å; K209-T212 WeakPolarHBondContact O-CB 3.33Å; K209-T212 PolarHBondContact O-N 3Å; K209-M213 PolarHBondContact O-N 2.79Å; K209-D360 PolarHBondContact NZ-O 2.76Å; K209-D360 VanDerWaalsContact NZ-O 3.16Å; K209-Y361 VanDerWaalsContact C-OH 3.28Å; K209-Y361 HydrophobicContact CB-CE1 4.22Å; K209-Y361 HydrophobicContact CB-CE2 3.85Å; K209-Y361 HydrophobicContact CD-CD2 3.91Å; K209-Y361 HydrophobicContact CD-CE2 3.99Å; K209-Y361 HydrophobicContact CD-CG 4.43Å; K209-Y361 WeakPolarHBondContact CD-O 3.48Å; K209-Y361 WeakPolarHBondContact CE-O 2.98Å; K209-Y361 HydrophobicContact CG-CD2 4.39Å; K209-Y361 HydrophobicContact CG-CE2 3.95Å; K209-Y361 PolarHBondContact NZ-O 3.24Å; K209-Y361 PolarHBondContact O-OH 2.81Å; K209-S364 PolarHBondContact NZ-O 2.99Å; K209-R372 HydrophobicContact CD-CB 3.87Å; K209-R372 HydrophobicContact CG-CB 4.25Å; K209-V378 HydrophobicContact CG-CG2 4.41Å
210I97.8Very high95.1Very high0 Ų035.4 Ų35.40%019%0.188CC..Hα-helixtrans-62.7-35.7-175.8-57-48.3000112.7W206 E207 T212 M213 Y214 F280 V281 M284 Y361 F362W206-I210 HydrophobicContact CD2-CG1 3.87Å; W206-I210 HydrophobicContact CE3-CG1 3.99Å; W206-I210 HydrophobicContact CH2-CB 4.42Å; W206-I210 HydrophobicContact CH2-CG1 3.62Å; W206-I210 HydrophobicContact CZ2-CD1 4.03Å; W206-I210 HydrophobicContact CZ2-CG1 3.5Å; W206-I210 HydrophobicContact CZ3-CB 4.44Å; W206-I210 HydrophobicContact CZ3-CG1 3.87Å; W206-I210 PolarHBondContact O-N 3.17Å; E207-I210 PolarHBondContact O-N 3.4Å; I210-T212 VanDerWaalsContact C-N 3.33Å; I210-T212 PolarHBondContact O-N 3.45Å; I210-M213 PolarHBondContact O-N 3.09Å; I210-Y214 PolarHBondContact O-N 3.47Å; I210-F280 HydrophobicContact CG2-CD1 3.66Å; I210-F280 HydrophobicContact CG2-CE1 3.51Å; I210-V281 HydrophobicContact CB-CG2 4.41Å; I210-V281 HydrophobicContact CG2-CB 4.44Å; I210-V281 HydrophobicContact CG2-CG2 3.92Å; I210-M284 HydrophobicContact CD1-CE 4.24Å; I210-M284 HydrophobicContact CG2-CB 3.96Å; I210-M284 HydrophobicContact CG2-CG 3.92Å; I210-Y361 HydrophobicContact CD1-CE1 4.43Å; I210-F362 HydrophobicContact CD1-CD1 4.04Å; I210-F362 HydrophobicContact CD1-CE1 4.26Å
211R96.3Very high94.7Very high23 Ų2342.7 Ų42.79%0.08722%0.222CC..Hα-helixtrans-63.2-38.6170.6-68.6177.9-149.5-73-4.6112.5E207 K209 Y214 R215 E277 V281E207-R211 WeakPolarHBondContact O-CB 3.2Å; E207-R211 VanDerWaalsContact O-CG 3.24Å; E207-R211 WeakPolarHBondContact O-CG 3.43Å; E207-R211 PolarHBondContact O-N 2.93Å; E207-R211 IonicContact OE2-CZ 2.66Å; E207-R211 IonicContact OE2-NH2 3.39Å; E207-R211 PolarHBondContact OE2-NH2 3.44Å; K209-R211 VanDerWaalsContact C-N 3.31Å; K209-R211 PolarHBondContact O-N 2.67Å; R211-Y214 PolarHBondContact O-N 2.98Å; R211-R215 WeakPolarHBondContact O-CG 3.49Å; R211-R215 PolarHBondContact O-N 2.92Å; R211-E277 WeakPolarHBondContact CD-OE1 2.96Å; R211-E277 HydrophobicContact CG-CG 4.15Å; R211-E277 WeakPolarHBondContact CG-OE1 3.22Å; R211-E277 IonicContact CZ-OE1 3.85Å; R211-E277 IonicContact NE-OE1 2.77Å; R211-E277 IonicContact NH1-OE1 2.71Å; R211-E277 PolarHBondContact NH1-OE1 3.18Å; R211-V281 HydrophobicContact CG-CG2 4.09Å
212T96.2Very high94.5Very high1 Ų139.3 Ų39.31%0.00621%0.207CC..Hα-helixtrans-60.9-48.1175-52.90000110.3S208 K209 I210 R215 R216 F375 P377 V378 I379S208-T212 PolarHBondContact O-N 2.94Å; S208-T212 PolarHBondContact O-OG1 3.43Å; K209-T212 WeakPolarHBondContact O-CA 3.43Å; K209-T212 WeakPolarHBondContact O-CB 3.33Å; K209-T212 PolarHBondContact O-N 3Å; I210-T212 VanDerWaalsContact C-N 3.33Å; I210-T212 PolarHBondContact O-N 3.45Å; T212-R215 PolarHBondContact O-N 3.25Å; T212-R216 WeakPolarHBondContact O-CG 3.02Å; T212-R216 PolarHBondContact O-N 2.93Å; T212-R216 VanDerWaalsContact O-N 3.15Å; T212-F375 HydrophobicContact CG2-CB 4.47Å; T212-P377 WeakPolarHBondContact CG2-O 3.3Å; T212-V378 WeakPolarHBondContact OG1-CA 3.49Å; T212-I379 HydrophobicContact CG2-CD1 4.4Å; T212-I379 HydrophobicContact CG2-CG1 4.29Å; T212-I379 PolarHBondContact OG1-N 2.75Å
213M96.3Very high94.4Very high17 Ų1742.1 Ų42.18%0.08422%0.22CC..Hα-helixtrans-58.3-50.3174.8179.7-177.6175.100111.3K209 I210 R215 R216 L217 F280 Y361 F362 F375K209-M213 PolarHBondContact O-N 2.79Å; I210-M213 PolarHBondContact O-N 3.09Å; M213-R215 VanDerWaalsContact C-N 3.3Å; M213-R215 PolarHBondContact O-N 2.96Å; M213-R216 WeakPolarHBondContact O-CB 3.42Å; M213-R216 PolarHBondContact O-N 3.37Å; M213-L217 HydrophobicContact CE-CD1 3.96Å; M213-L217 HydrophobicContact CG-CD1 4.07Å; M213-L217 HydrophobicContact CG-CG 4.47Å; M213-L217 WeakPolarHBondContact O-CG 3.29Å; M213-L217 PolarHBondContact O-N 3.49Å; M213-L217 VanDerWaalsContact O-N 3.13Å; M213-F280 HydrophobicContact CE-CZ 4.05Å; M213-F280 HydrophobicContact CG-CE1 4.44Å; M213-F280 HydrophobicContact CG-CZ 4.14Å; M213-F280 HydrophobicContact SD-CE1 4.39Å; M213-F280 HydrophobicContact SD-CZ 3.95Å; M213-Y361 HydrophobicContact CB-CE1 4.47Å; M213-F362 HydrophobicContact CE-CE1 4.41Å; M213-F362 HydrophobicContact CE-CZ 4.29Å; M213-F362 HydrophobicContact SD-CE1 3.61Å; M213-F362 HydrophobicContact SD-CZ 3.82Å; M213-F375 HydrophobicContact CB-CD2 4.4Å; M213-F375 HydrophobicContact CB-CG 4.46Å; M213-F375 HydrophobicContact CE-CZ 4.41Å; M213-F375 HydrophobicContact CG-CD1 4.49Å; M213-F375 HydrophobicContact CG-CE1 4.27Å; M213-F375 HydrophobicContact CG-CE2 4.31Å; M213-F375 HydrophobicContact CG-CZ 4.16Å; M213-F375 HydrophobicContact SD-CE2 4.26Å; M213-F375 HydrophobicContact SD-CZ 4.21Å
214Y96.3Very high94.4Very high0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-51.5-48.7178.5178.1-93.6000112.4I210 R211 R216 L217 D218 M223 K224 L225 I275 R276 E277 F280I210-Y214 PolarHBondContact O-N 3.47Å; R211-Y214 PolarHBondContact O-N 2.98Å; Y214-R216 VanDerWaalsContact C-N 3.3Å; Y214-R216 PolarHBondContact O-N 2.96Å; Y214-L217 WeakPolarHBondContact O-CB 3.47Å; Y214-L217 PolarHBondContact O-N 3.35Å; Y214-D218 HydrophobicContact CE1-CB 4.35Å; Y214-D218 PolarHBondContact O-N 2.79Å; Y214-M223 PolarHBondContact OH-O 2.97Å; Y214-K224 WeakPolarHBondContact OH-CA 3.35Å; Y214-K224 PolarHBondContact OH-N 3.42Å; Y214-L225 HydrophobicContact CD2-CD1 3.47Å; Y214-L225 VanDerWaalsContact CD2-CD1 3.47Å; Y214-L225 HydrophobicContact CD2-CG 3.94Å; Y214-L225 HydrophobicContact CE2-CB 4.44Å; Y214-L225 HydrophobicContact CE2-CD1 3.53Å; Y214-L225 HydrophobicContact CE2-CD2 4.47Å; Y214-L225 HydrophobicContact CE2-CG 3.49Å; Y214-L225 VanDerWaalsContact CE2-CG 3.49Å; Y214-L225 HydrophobicContact CG-CD1 4.45Å; Y214-I275 PolarHBondContact OH-O 3.25Å; Y214-R276 WeakPolarHBondContact OH-CA 3.33Å; Y214-E277 HydrophobicContact CD1-CB 3.75Å; Y214-E277 HydrophobicContact CD1-CG 3.85Å; Y214-E277 HydrophobicContact CD2-CB 4.45Å; Y214-E277 HydrophobicContact CE1-CB 3.67Å; Y214-E277 HydrophobicContact CE1-CG 4.3Å; Y214-E277 HydrophobicContact CE2-CB 4.35Å; Y214-E277 HydrophobicContact CG-CB 4.15Å; Y214-E277 HydrophobicContact CG-CG 4.09Å; Y214-E277 PolarHBondContact OH-N 3.5Å; Y214-F280 HydrophobicContact CD2-CB 3.56Å; Y214-F280 AromaticContact CD2-CD1 3.84Å; Y214-F280 HydrophobicContact CD2-CD1 3.84Å; Y214-F280 HydrophobicContact CD2-CD2 4.07Å; Y214-F280 AromaticContact CD2-CG 3.57Å; Y214-F280 HydrophobicContact CD2-CG 3.57Å; Y214-F280 HydrophobicContact CE2-CB 3.99Å; Y214-F280 HydrophobicContact CE2-CG 4.38Å; Y214-F280 HydrophobicContact CG-CD1 4.26Å; Y214-F280 HydrophobicContact CG-CG 4.42Å
215R93.7Very high94.5Very high86 Ų8639.8 Ų39.833%0.32519%0.193SC..Hα-helixtrans-67.5-28.2-179-72.7-179179.2-1726.3113.8R211 T212 M213 L217 E277 I379 R381 P382 T383R211-R215 WeakPolarHBondContact O-CG 3.49Å; R211-R215 PolarHBondContact O-N 2.92Å; T212-R215 PolarHBondContact O-N 3.25Å; M213-R215 VanDerWaalsContact C-N 3.3Å; M213-R215 PolarHBondContact O-N 2.96Å; R215-L217 VanDerWaalsContact C-N 3.3Å; R215-E277 IonicContact NE-OE2 3.15Å; R215-E277 IonicContact NH2-OE2 3.92Å; R215-I379 HydrophobicContact CB-CD1 4.22Å; R215-I379 HydrophobicContact CG-CD1 4.49Å; R215-R381 PolarHBondContact NH2-O 2.97Å; R215-P382 PolarHBondContact NH2-O 3.42Å; R215-T383 PolarHBondContact NE-OG1 2.99Å; R215-T383 VanDerWaalsContact NH2-N 3.19Å; R215-T383 PolarHBondContact NH2-OG1 3.15Å
216R93.1Very high94.4Very high52 Ų5242.8 Ų42.820%0.19620%0.2CC..Hα-helixtrans-69.9-30.8171.9-70.9-63.3-175.7-175.6-2.9112.1T212 M213 Y214 W327 H328 E333 F375T212-R216 WeakPolarHBondContact O-CG 3.02Å; T212-R216 PolarHBondContact O-N 2.93Å; T212-R216 VanDerWaalsContact O-N 3.15Å; M213-R216 WeakPolarHBondContact O-CB 3.42Å; M213-R216 PolarHBondContact O-N 3.37Å; Y214-R216 VanDerWaalsContact C-N 3.3Å; Y214-R216 PolarHBondContact O-N 2.96Å; R216-W327 WeakPolarHBondContact CB-O 3.48Å; R216-H328 PolarHBondContact NH1-O 2.97Å; R216-E333 IonicContact CZ-OE2 3.96Å; R216-E333 IonicContact NH1-OE2 3.78Å; R216-E333 IonicContact NH2-OE1 2.79Å; R216-E333 PolarHBondContact NH2-OE1 2.78Å; R216-E333 IonicContact NH2-OE2 3.78Å; R216-E333 PolarHBondContact NH2-OE2 3.43Å; R216-F375 HydrophobicContact CG-CB 4.46Å; R216-F375 PolarHBondContact NE-O 3.02Å
217L93.5Very high94.4Very high6 Ų644.2 Ų44.23%0.03121%0.209CC..Hα-helixtrans-82.6-27.8178.3-58.3175.3000112.7M213 Y214 R215 I219 L225 I233 F280M213-L217 HydrophobicContact CE-CD1 3.96Å; M213-L217 HydrophobicContact CG-CD1 4.07Å; M213-L217 HydrophobicContact CG-CG 4.47Å; M213-L217 WeakPolarHBondContact O-CG 3.29Å; M213-L217 PolarHBondContact O-N 3.49Å; M213-L217 VanDerWaalsContact O-N 3.13Å; Y214-L217 WeakPolarHBondContact O-CB 3.47Å; Y214-L217 PolarHBondContact O-N 3.35Å; R215-L217 VanDerWaalsContact C-N 3.3Å; L217-I219 PolarHBondContact O-N 3.43Å; L217-L225 HydrophobicContact CB-CD1 3.91Å; L217-L225 HydrophobicContact CB-CD2 3.67Å; L217-L225 HydrophobicContact CB-CG 4.47Å; L217-L225 HydrophobicContact CD1-CD1 4.13Å; L217-L225 WeakPolarHBondContact O-CD2 3.43Å; L217-I233 HydrophobicContact CD2-CD1 3.25Å; L217-F280 HydrophobicContact CD1-CE2 4.05Å; L217-F280 HydrophobicContact CD1-CZ 3.99Å
218D93.4Very high94.3Very high14 Ų1445.4 Ų45.48%0.07522%0.215CC..  trans-81.863.4178-177.329.4000111Y214 N220 E221 T222 M223 L225Y214-D218 HydrophobicContact CE1-CB 4.35Å; Y214-D218 PolarHBondContact O-N 2.79Å; D218-N220 PolarHBondContact O-N 3.34Å; D218-E221 PolarHBondContact O-N 2.94Å; D218-E221 WeakPolarHBondContact OD2-CA 3.44Å; D218-T222 PolarHBondContact OD1-N 3.42Å; D218-T222 PolarHBondContact OD1-OG1 3.28Å; D218-T222 VanDerWaalsContact OD1-OG1 3.11Å; D218-T222 PolarHBondContact OD2-N 3.3Å; D218-M223 WeakPolarHBondContact OD2-CA 3.37Å; D218-M223 PolarHBondContact OD2-N 3.5Å; D218-L225 HydrophobicContact CB-CD2 3.81Å
219I85.6Confident94.1Very high54 Ų5444.8 Ų44.828%0.27721%0.211SC..THydrogen-bonded Turntrans-57.2-36.8-172.6-60.8159.6000111.9L217 E221 H328L217-I219 PolarHBondContact O-N 3.43Å; I219-E221 VanDerWaalsContact C-N 3.25Å; I219-E221 PolarHBondContact O-N 3.48Å; I219-H328 WeakPolarHBondContact CD1-NE2 3.2Å; I219-H328 VanDerWaalsContact CG1-CD2 3.47Å; I219-H328 WeakPolarHBondContact CG1-CD2 3.2Å; I219-H328 WeakPolarHBondContact CG1-NE2 3.49Å
220N86.9Confident94Very high94 Ų9445 Ų4550%0.50321%0.212SC..THydrogen-bonded Turntrans-85.32.9-177.9-62.7-50.6000112.8D218 T222D218-N220 PolarHBondContact O-N 3.34Å; N220-T222 HydrophobicContact CB-CG2 3.66Å; N220-T222 PolarHBondContact O-N 3.3Å
221E88.5Confident93.9Very high164 Ų16447.1 Ų47.177%0.76622%0.223SC*.  trans50.338.9-176.8-59-175.1172.800112.8D218 I219 M223D218-E221 PolarHBondContact O-N 2.94Å; D218-E221 WeakPolarHBondContact OD2-CA 3.44Å; I219-E221 VanDerWaalsContact C-N 3.25Å; I219-E221 PolarHBondContact O-N 3.48Å; E221-M223 VanDerWaalsContact C-N 3.26Å
222T92.2Very high93.9Very high74 Ų7449.8 Ų49.845%0.45424%0.236SC..  trans-84.9-5.5-177.863.90000112.6D218 N220 K224D218-T222 PolarHBondContact OD1-N 3.42Å; D218-T222 PolarHBondContact OD1-OG1 3.28Å; D218-T222 VanDerWaalsContact OD1-OG1 3.11Å; D218-T222 PolarHBondContact OD2-N 3.3Å; N220-T222 HydrophobicContact CB-CG2 3.66Å; N220-T222 PolarHBondContact O-N 3.3Å; T222-K224 PolarHBondContact O-N 3.35Å; T222-K224 PolarHBondContact OG1-N 3.01Å; T222-K224 PolarHBondContact OG1-O 3.09Å
223M94.7Very high93.8Very high61 Ų6150.1 Ų50.130%0.324%0.238SC..SBendtrans59.722.6-170.5-47.2178.3-152.200112.6Y214 D218 E221 T383 R386Y214-M223 PolarHBondContact OH-O 2.97Å; D218-M223 WeakPolarHBondContact OD2-CA 3.37Å; D218-M223 PolarHBondContact OD2-N 3.5Å; E221-M223 VanDerWaalsContact C-N 3.26Å; M223-T383 HydrophobicContact CB-CG2 4.33Å; M223-T383 HydrophobicContact CG-CG2 3.88Å; M223-T383 HydrophobicContact SD-CG2 3.84Å; M223-R386 HydrophobicContact CE-CG 4.11Å
224K96.2Very high93.8Very high77 Ų7749.3 Ų49.334%0.33523%0.234SC..  trans-146.6130.3-177.5-65.4-178.8175-170.90109.4Y214 T222 E274 I275 R276Y214-K224 WeakPolarHBondContact OH-CA 3.35Å; Y214-K224 PolarHBondContact OH-N 3.42Å; T222-K224 PolarHBondContact O-N 3.35Å; T222-K224 PolarHBondContact OG1-N 3.01Å; T222-K224 PolarHBondContact OG1-O 3.09Å; K224-E274 HydrophobicContact CD-CG 4.47Å; K224-E274 VanDerWaalsContact CD-OE1 3.3Å; K224-E274 WeakPolarHBondContact CD-OE1 3.29Å; K224-E274 VanDerWaalsContact CE-OE1 3.3Å; K224-E274 WeakPolarHBondContact CE-OE1 3.41Å; K224-E274 IonicContact NZ-OE1 3.99Å; K224-E274 PolarHBondContact NZ-OE1 3.17Å; K224-I275 CarbonylContact C-O 3.56Å; K224-I275 WeakPolarHBondContact CA-O 3.48Å; K224-R276 HydrophobicContact CG-CG 4.33Å
225L96.9Very high93.9Very high0 Ų053.7 Ų53.70%026%0.255CS..EExtended strand (participates in β ladder)trans-95.6146.6167.4-60.1178.3000109.4Y214 L217 D218 W259 E274 I275 F280Y214-L225 HydrophobicContact CD2-CD1 3.47Å; Y214-L225 VanDerWaalsContact CD2-CD1 3.47Å; Y214-L225 HydrophobicContact CD2-CG 3.94Å; Y214-L225 HydrophobicContact CE2-CB 4.44Å; Y214-L225 HydrophobicContact CE2-CD1 3.53Å; Y214-L225 HydrophobicContact CE2-CD2 4.47Å; Y214-L225 HydrophobicContact CE2-CG 3.49Å; Y214-L225 VanDerWaalsContact CE2-CG 3.49Å; Y214-L225 HydrophobicContact CG-CD1 4.45Å; L217-L225 HydrophobicContact CB-CD1 3.91Å; L217-L225 HydrophobicContact CB-CD2 3.67Å; L217-L225 HydrophobicContact CB-CG 4.47Å; L217-L225 HydrophobicContact CD1-CD1 4.13Å; L217-L225 WeakPolarHBondContact O-CD2 3.43Å; D218-L225 HydrophobicContact CB-CD2 3.81Å; L225-W259 HydrophobicContact CB-CZ3 4.18Å; L225-W259 WeakPolarHBondContact O-CH2 3.47Å; L225-E274 CarbonylContact O-C 3.55Å; L225-E274 WeakPolarHBondContact O-CA 3.36Å; L225-I275 HydrophobicContact CB-CD1 4.44Å; L225-I275 HydrophobicContact CB-CG1 3.85Å; L225-I275 PolarHBondContact N-O 3.27Å; L225-I275 PolarHBondContact O-N 3.38Å; L225-F280 HydrophobicContact CD1-CD2 3.91Å; L225-F280 HydrophobicContact CD1-CE2 4.07Å
226R96Very high94Very high105 Ų10552.1 Ų52.140%0.39625%0.25SS..EExtended strand (participates in β ladder)trans-127.7165.6170.5-64.8-178.8-170.7-78.9-6.1108.7H228 D229 E274R226-H228 WeakPolarHBondContact CB-ND1 3.36Å; R226-H228 PolarHBondContact O-N 3.42Å; R226-H228 VanDerWaalsContact O-N 3.13Å; R226-D229 WeakPolarHBondContact CA-OD2 3.43Å; R226-D229 PolarHBondContact N-OD2 2.87Å; R226-D229 WeakPolarHBondContact O-CB 3.39Å; R226-D229 PolarHBondContact O-N 3.4Å; R226-D229 VanDerWaalsContact O-N 3.07Å; R226-E274 HydrophobicContact CG-CB 4.02Å; R226-E274 IonicContact CZ-OE2 2.78Å; R226-E274 IonicContact NH1-OE2 3.54Å; R226-E274 PolarHBondContact NH1-OE2 3.44Å; R226-E274 IonicContact NH2-OE2 3.43Å; R226-E274 PolarHBondContact NH2-OE2 2.85Å
227C96Very high94.2Very high30 Ų3049.7 Ų49.720%0.20324%0.241CC..Hα-helixtrans-52.6-40.7177.6-1680000112.8D229 L230 L231 W259C227-D229 VanDerWaalsContact C-N 3.25Å; C227-D229 PolarHBondContact O-N 3.36Å; C227-L230 PolarHBondContact O-N 3.48Å; C227-L230 VanDerWaalsContact O-N 3.17Å; C227-L231 WeakPolarHBondContact O-CG 3.41Å; C227-L231 PolarHBondContact O-N 3.16Å; C227-L231 VanDerWaalsContact O-N 3.08Å; C227-W259 HydrophobicContact CB-CD2 3.92Å; C227-W259 HydrophobicContact CB-CG 3.95Å; C227-W259 HydrophobicContact CB-CZ2 4.25Å; C227-W259 VanDerWaalsContact SG-CD1 3.53Å
228H94.8Very high94.4Very high78 Ų7851 Ų5136%0.36125%0.248SC..Hα-helixtrans-61.7-29.4-177.780.6-67.4000113.8R226 L231 Q232R226-H228 WeakPolarHBondContact CB-ND1 3.36Å; R226-H228 PolarHBondContact O-N 3.42Å; R226-H228 VanDerWaalsContact O-N 3.13Å; H228-L231 PolarHBondContact O-N 2.93Å; H228-Q232 VanDerWaalsContact O-CG 3.31Å; H228-Q232 WeakPolarHBondContact O-CG 3.27Å; H228-Q232 PolarHBondContact O-N 2.86Å
229D94.8Very high94.6Very high2 Ų256.7 Ų56.71%0.01127%0.274CS..Hα-helixtrans-64.6-42.4177.3-57.3-64.6000110.3R226 C227 Q232 I233R226-D229 WeakPolarHBondContact CA-OD2 3.43Å; R226-D229 PolarHBondContact N-OD2 2.87Å; R226-D229 WeakPolarHBondContact O-CB 3.39Å; R226-D229 PolarHBondContact O-N 3.4Å; R226-D229 VanDerWaalsContact O-N 3.07Å; C227-D229 VanDerWaalsContact C-N 3.25Å; C227-D229 PolarHBondContact O-N 3.36Å; D229-Q232 PolarHBondContact O-N 3.01Å; D229-I233 PolarHBondContact O-N 3.14Å
230L94.7Very high95.1Very high7 Ų760.7 Ų60.74%0.03729%0.285CS..Hα-helixtrans-68.5-39.9174.8-85.270.3000112.3C227 Q232 I233 G234 M255 I258 W259 L263C227-L230 PolarHBondContact O-N 3.48Å; C227-L230 VanDerWaalsContact O-N 3.17Å; L230-Q232 VanDerWaalsContact C-N 3.27Å; L230-Q232 PolarHBondContact O-N 3.47Å; L230-I233 WeakPolarHBondContact O-CB 3.47Å; L230-I233 PolarHBondContact O-N 3.29Å; L230-G234 PolarHBondContact O-N 3.21Å; L230-M255 HydrophobicContact CB-SD 4.37Å; L230-I258 HydrophobicContact CD2-CG2 3.66Å; L230-W259 HydrophobicContact CD1-CE3 4.07Å; L230-W259 HydrophobicContact CD1-CZ3 4.34Å; L230-W259 HydrophobicContact CD2-CB 4.27Å; L230-W259 HydrophobicContact CD2-CE3 4.2Å; L230-L263 HydrophobicContact CD2-CD1 3.68Å
231L95.8Very high95.5Very high45 Ų4556.9 Ų56.924%0.23627%0.266CS..Hα-helixtrans-64.6-32.9177.6-63.8-174.7000112C227 H228 I233 G234 Q235 M252 M255C227-L231 WeakPolarHBondContact O-CG 3.41Å; C227-L231 PolarHBondContact O-N 3.16Å; C227-L231 VanDerWaalsContact O-N 3.08Å; H228-L231 PolarHBondContact O-N 2.93Å; L231-I233 VanDerWaalsContact C-N 3.32Å; L231-I233 PolarHBondContact O-N 3.25Å; L231-G234 PolarHBondContact O-N 3.24Å; L231-Q235 WeakPolarHBondContact O-CB 3.45Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 3.16Å; L231-Q235 PolarHBondContact O-N 3.48Å; L231-M252 HydrophobicContact CB-CE 4Å; L231-M252 HydrophobicContact CD2-CE 3.75Å; L231-M252 HydrophobicContact CG-CE 4.31Å; L231-M255 HydrophobicContact CD2-CB 3.9Å
232Q95.6Very high95.8Very high79 Ų7957 Ų5737%0.36927%0.266SS..Hα-helixtrans-63.5-36.8175.1-78175.95.900112.3H228 D229 L230 Q235 F236H228-Q232 VanDerWaalsContact O-CG 3.31Å; H228-Q232 WeakPolarHBondContact O-CG 3.27Å; H228-Q232 PolarHBondContact O-N 2.86Å; D229-Q232 PolarHBondContact O-N 3.01Å; L230-Q232 VanDerWaalsContact C-N 3.27Å; L230-Q232 PolarHBondContact O-N 3.47Å; Q232-Q235 PolarHBondContact O-N 3.48Å; Q232-F236 WeakPolarHBondContact O-CB 3.26Å; Q232-F236 PolarHBondContact O-N 3.28Å
233I95Very high95.9Very high7 Ų754.5 Ų54.54%0.03625%0.25CC..Hα-helixtrans-61.2-49.5173.8-59.7169.5000110L217 D229 L230 L231 Q235 F236 L237 M255 A326L217-I233 HydrophobicContact CD2-CD1 3.25Å; D229-I233 PolarHBondContact O-N 3.14Å; L230-I233 WeakPolarHBondContact O-CB 3.47Å; L230-I233 PolarHBondContact O-N 3.29Å; L231-I233 VanDerWaalsContact C-N 3.32Å; L231-I233 PolarHBondContact O-N 3.25Å; I233-Q235 PolarHBondContact O-N 3.24Å; I233-F236 PolarHBondContact O-N 3.3Å; I233-L237 WeakPolarHBondContact O-CG 3.41Å; I233-L237 PolarHBondContact O-N 3.24Å; I233-M255 HydrophobicContact CB-CE 4.39Å; I233-M255 HydrophobicContact CG2-CE 4.03Å; I233-A326 HydrophobicContact CG2-CB 3.99Å
234G96.4Very high95.9Very high0 Ų055.3 Ų55.30%026%0.255CS..Hα-helixtrans-58.7-46.6176.900000112.3L230 L231 F236 L237 I238L230-G234 PolarHBondContact O-N 3.21Å; L231-G234 PolarHBondContact O-N 3.24Å; G234-F236 VanDerWaalsContact C-N 3.34Å; G234-F236 PolarHBondContact O-N 2.89Å; G234-L237 PolarHBondContact O-N 3.31Å; G234-I238 WeakPolarHBondContact O-CD1 3.36Å; G234-I238 WeakPolarHBondContact O-CG1 2.91Å; G234-I238 PolarHBondContact O-N 3.35Å
235Q97.3Very high95.8Very high93 Ų9361.3 Ų61.344%0.43528%0.275SS..Hα-helixtrans-61.5-40.9176.9-73.7175.7-4.500112.5L231 Q232 I233 I238 Q239 M252L231-Q235 WeakPolarHBondContact O-CB 3.45Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 3.16Å; L231-Q235 PolarHBondContact O-N 3.48Å; Q232-Q235 PolarHBondContact O-N 3.48Å; I233-Q235 PolarHBondContact O-N 3.24Å; Q235-I238 PolarHBondContact O-N 2.84Å; Q235-Q239 WeakPolarHBondContact O-CB 3.45Å; Q235-Q239 VanDerWaalsContact O-CG 3.26Å; Q235-Q239 WeakPolarHBondContact O-CG 3.27Å; Q235-Q239 PolarHBondContact O-N 2.97Å; Q235-M252 HydrophobicContact CG-CE 4.01Å; Q235-M252 HydrophobicContact CG-SD 4.24Å
236F97.2Very high95.6Very high53 Ų5366.5 Ų66.523%0.23230%0.295CS..Hα-helixtrans-60.6-48.1176.6-177.3-85.1000111Q232 I233 G234 Q239 R240 I322 E325 A326Q232-F236 WeakPolarHBondContact O-CB 3.26Å; Q232-F236 PolarHBondContact O-N 3.28Å; I233-F236 PolarHBondContact O-N 3.3Å; G234-F236 VanDerWaalsContact C-N 3.34Å; G234-F236 PolarHBondContact O-N 2.89Å; F236-Q239 PolarHBondContact O-N 2.69Å; F236-R240 HydrophobicContact CD1-CG 3.91Å; F236-R240 HydrophobicContact CD2-CG 4.44Å; F236-R240 HydrophobicContact CE1-CB 4.48Å; F236-R240 HydrophobicContact CE1-CG 3.64Å; F236-R240 HydrophobicContact CE2-CG 4.19Å; F236-R240 HydrophobicContact CG-CG 4.32Å; F236-R240 HydrophobicContact CZ-CG 3.79Å; F236-R240 VanDerWaalsContact O-CB 3.32Å; F236-R240 WeakPolarHBondContact O-CB 3.29Å; F236-R240 VanDerWaalsContact O-CG 3.25Å; F236-R240 WeakPolarHBondContact O-CG 2.78Å; F236-R240 PolarHBondContact O-N 3.25Å; F236-I322 HydrophobicContact CE1-CG2 4.28Å; F236-E325 HydrophobicContact CE1-CB 4.02Å; F236-E325 HydrophobicContact CZ-CB 3.97Å; F236-A326 HydrophobicContact CD1-CB 3.54Å; F236-A326 HydrophobicContact CE1-CB 4.08Å; F236-A326 HydrophobicContact CG-CB 4.33Å
237L96.8Very high95.6Very high0 Ų062.4 Ų62.40%028%0.28CS..Hα-helixtrans-57.5-52.4176.2-67.7173.8000110.8I233 G234 Q239 R240 T241 V251 F303 A306 I307 I322 L323 A326I233-L237 WeakPolarHBondContact O-CG 3.41Å; I233-L237 PolarHBondContact O-N 3.24Å; G234-L237 PolarHBondContact O-N 3.31Å; L237-Q239 VanDerWaalsContact C-N 3.3Å; L237-Q239 PolarHBondContact O-N 3.44Å; L237-R240 PolarHBondContact O-N 2.84Å; L237-T241 PolarHBondContact O-N 3Å; L237-T241 PolarHBondContact O-OG1 3.01Å; L237-V251 HydrophobicContact CD1-CG1 4.47Å; L237-F303 HydrophobicContact CD1-CD1 3.83Å; L237-F303 HydrophobicContact CD1-CE1 3.93Å; L237-A306 HydrophobicContact CD1-CB 4.15Å; L237-I307 HydrophobicContact CD2-CG2 4.1Å; L237-I322 HydrophobicContact CD2-CG2 4.23Å; L237-L323 HydrophobicContact CD1-CD1 4.25Å; L237-L323 HydrophobicContact CD2-CD1 4.05Å; L237-A326 HydrophobicContact CD2-CB 3.71Å; L237-A326 HydrophobicContact CG-CB 3.95Å
238I97.2Very high95.6Very high35 Ų3561.6 Ų61.618%0.17928%0.275CS..Hα-helixtrans-54.7-45.9-179.5-69.7161.5000111.7G234 Q235 H242 L243 A248 M252G234-I238 WeakPolarHBondContact O-CD1 3.36Å; G234-I238 WeakPolarHBondContact O-CG1 2.91Å; G234-I238 PolarHBondContact O-N 3.35Å; Q235-I238 PolarHBondContact O-N 2.84Å; I238-H242 WeakPolarHBondContact O-CA 3.43Å; I238-H242 PolarHBondContact O-N 3.15Å; I238-L243 HydrophobicContact CG1-CD1 3.97Å; I238-L243 PolarHBondContact O-N 3.33Å; I238-A248 HydrophobicContact CD1-CB 3.84Å; I238-A248 HydrophobicContact CG1-CB 3.83Å; I238-A248 HydrophobicContact CG2-CB 3.94Å; I238-M252 HydrophobicContact CD1-CG 3.57Å; I238-M252 HydrophobicContact CD1-SD 3.67Å
239Q97.2Very high95.7Very high133 Ų13361.1 Ų61.162%0.62128%0.275SS*.Hα-helixtrans-69.8-41.7-179-72.2174.97.300112.3Q235 F236 L237Q235-Q239 WeakPolarHBondContact O-CB 3.45Å; Q235-Q239 VanDerWaalsContact O-CG 3.26Å; Q235-Q239 WeakPolarHBondContact O-CG 3.27Å; Q235-Q239 PolarHBondContact O-N 2.97Å; F236-Q239 PolarHBondContact O-N 2.69Å; L237-Q239 VanDerWaalsContact C-N 3.3Å; L237-Q239 PolarHBondContact O-N 3.44Å
240R97.3Very high95.7Very high138 Ų13861.3 Ų61.352%0.52128%0.277SS..Hα-helixtrans-76.2-31.2-175.4-71.5-65.5-169.7139.24.1113.5F236 L237 I322F236-R240 HydrophobicContact CD1-CG 3.91Å; F236-R240 HydrophobicContact CD2-CG 4.44Å; F236-R240 HydrophobicContact CE1-CB 4.48Å; F236-R240 HydrophobicContact CE1-CG 3.64Å; F236-R240 HydrophobicContact CE2-CG 4.19Å; F236-R240 HydrophobicContact CG-CG 4.32Å; F236-R240 HydrophobicContact CZ-CG 3.79Å; F236-R240 VanDerWaalsContact O-CB 3.32Å; F236-R240 WeakPolarHBondContact O-CB 3.29Å; F236-R240 VanDerWaalsContact O-CG 3.25Å; F236-R240 WeakPolarHBondContact O-CG 2.78Å; F236-R240 PolarHBondContact O-N 3.25Å; L237-R240 PolarHBondContact O-N 2.84Å; R240-I322 HydrophobicContact CB-CG2 3.56Å; R240-I322 HydrophobicContact CG-CG2 4.28Å
241T95.7Very high95.9Very high14 Ų1461 Ų619%0.08628%0.276CS..Hα-helixtrans-101-1.1179.363.70000113.3L237 L243 A306 I307 I309 I322L237-T241 PolarHBondContact O-N 3Å; L237-T241 PolarHBondContact O-OG1 3.01Å; T241-L243 VanDerWaalsContact C-N 3.3Å; T241-L243 PolarHBondContact O-N 3.14Å; T241-L243 VanDerWaalsContact OG1-CD2 3.25Å; T241-L243 WeakPolarHBondContact OG1-CD2 3.49Å; T241-L243 WeakPolarHBondContact OG1-CG 3.5Å; T241-A306 PolarHBondContact OG1-O 2.77Å; T241-A306 VanDerWaalsContact OG1-O 3.08Å; T241-I307 HydrophobicContact CG2-CG2 4.24Å; T241-I309 HydrophobicContact CG2-CG2 4.43Å; T241-I322 HydrophobicContact CG2-CD1 4.08Å; T241-I322 HydrophobicContact CG2-CG2 3.96Å
242H95.2Very high96Very high167 Ų16761.1 Ų61.177%0.77328%0.275SS*.THydrogen-bonded Turntrans52.946.1-178.4-57.3-68.4000112.4I238 D244I238-H242 WeakPolarHBondContact O-CA 3.43Å; I238-H242 PolarHBondContact O-N 3.15Å; H242-D244 PolarHBondContact O-N 3.41Å
243L94.3Very high96Very high21 Ų2165.1 Ų65.111%0.1129%0.287CS..  trans-57140-177.2-66.9-175.9000111.7I238 T241 R247 A248 V251 A306 I309I238-L243 HydrophobicContact CG1-CD1 3.97Å; I238-L243 PolarHBondContact O-N 3.33Å; T241-L243 VanDerWaalsContact C-N 3.3Å; T241-L243 PolarHBondContact O-N 3.14Å; T241-L243 VanDerWaalsContact OG1-CD2 3.25Å; T241-L243 WeakPolarHBondContact OG1-CD2 3.49Å; T241-L243 WeakPolarHBondContact OG1-CG 3.5Å; L243-R247 HydrophobicContact CB-CB 4.12Å; L243-R247 HydrophobicContact CD1-CB 4.18Å; L243-R247 HydrophobicContact CD2-CB 4.12Å; L243-R247 HydrophobicContact CG-CB 4.36Å; L243-A248 HydrophobicContact CB-CB 4.22Å; L243-V251 HydrophobicContact CD1-CG2 3.98Å; L243-A306 HydrophobicContact CD1-CB 4.24Å; L243-A306 WeakPolarHBondContact CD2-O 3.36Å; L243-I309 HydrophobicContact CD2-CG2 4.38Å
244D93.7Very high96.1Very high78 Ų7865.5 Ų65.542%0.41729%0.292SS..  trans-64.5165.5166.370.886.8000110.6H242 R246 R247 A248H242-D244 PolarHBondContact O-N 3.41Å; D244-R246 VanDerWaalsContact C-N 3.32Å; D244-R246 PolarHBondContact O-N 3.25Å; D244-R246 WeakPolarHBondContact OD1-CB 3.5Å; D244-R246 PolarHBondContact OD1-N 3.07Å; D244-R247 PolarHBondContact O-N 2.94Å; D244-R247 PolarHBondContact OD1-N 3.32Å; D244-R247 WeakPolarHBondContact OD2-CD 3.33Å; D244-R247 VanDerWaalsContact OD2-CG 3.23Å; D244-R247 WeakPolarHBondContact OD2-CG 3.35Å; D244-A248 VanDerWaalsContact O-CB 3.31Å; D244-A248 WeakPolarHBondContact O-CB 3.32Å; D244-A248 PolarHBondContact O-N 3.4Å
245R94.8Very high96.1Very high202 Ų20265.9 Ų65.976%0.76229%0.293SS*.Hα-helixtrans-57.1-41-174.7-175.9177.5177.91731.5113.4A248 D249R245-A248 PolarHBondContact O-N 3.08Å; R245-D249 IonicContact NE-OD2 2.59Å; R245-D249 WeakPolarHBondContact O-CB 3.32Å; R245-D249 VanDerWaalsContact O-CG 3.23Å; R245-D249 PolarHBondContact O-N 3.17Å
246R92.6Very high96Very high110 Ų11065.5 Ų65.542%0.41529%0.294SS..Hα-helixtrans-67.5-44.8-176.6-72-174.1173.5-160.9-8110.4D36 D244 D249 A250D36-R246 IonicContact OD2-CZ 3.93Å; D36-R246 IonicContact OD2-NH2 3.83Å; D36-R246 PolarHBondContact OD2-NH2 3.22Å; D244-R246 VanDerWaalsContact C-N 3.32Å; D244-R246 PolarHBondContact O-N 3.25Å; D244-R246 WeakPolarHBondContact OD1-CB 3.5Å; D244-R246 PolarHBondContact OD1-N 3.07Å; R246-D249 PolarHBondContact O-N 2.72Å; R246-A250 WeakPolarHBondContact O-CB 3.27Å; R246-A250 PolarHBondContact O-N 3.22Å
247R94.4Very high95.9Very high19 Ų1966.5 Ų66.57%0.07230%0.299CS..Hα-helixtrans-66.9-41.5176.6-70.2176.810016210.9112.2T27 L243 D244 A250 V251 K305 E308 I309T27-R247 PolarHBondContact O-NE 3.36Å; L243-R247 HydrophobicContact CB-CB 4.12Å; L243-R247 HydrophobicContact CD1-CB 4.18Å; L243-R247 HydrophobicContact CD2-CB 4.12Å; L243-R247 HydrophobicContact CG-CB 4.36Å; D244-R247 PolarHBondContact O-N 2.94Å; D244-R247 PolarHBondContact OD1-N 3.32Å; D244-R247 WeakPolarHBondContact OD2-CD 3.33Å; D244-R247 VanDerWaalsContact OD2-CG 3.23Å; D244-R247 WeakPolarHBondContact OD2-CG 3.35Å; R247-A250 WeakPolarHBondContact O-CB 3.31Å; R247-A250 PolarHBondContact O-N 2.93Å; R247-V251 WeakPolarHBondContact O-CG2 3.43Å; R247-V251 PolarHBondContact O-N 3.12Å; R247-K305 PolarHBondContact NE-O 3.37Å; R247-K305 PolarHBondContact NH2-O 3.26Å; R247-E308 PolarHBondContact NH2-O 2.88Å; R247-E308 IonicContact NH2-OE2 3.15Å; R247-I309 PolarHBondContact NH1-O 3.49Å
248A96.8Very high95.9Very high13 Ų1367.5 Ų67.511%0.10730%0.304CS..Hα-helixtrans-60.7-46.7175.400000111.7I238 L243 D244 R245 A250 V251 M252I238-A248 HydrophobicContact CD1-CB 3.84Å; I238-A248 HydrophobicContact CG1-CB 3.83Å; I238-A248 HydrophobicContact CG2-CB 3.94Å; L243-A248 HydrophobicContact CB-CB 4.22Å; D244-A248 VanDerWaalsContact O-CB 3.31Å; D244-A248 WeakPolarHBondContact O-CB 3.32Å; D244-A248 PolarHBondContact O-N 3.4Å; R245-A248 PolarHBondContact O-N 3.08Å; A248-A250 VanDerWaalsContact C-N 3.31Å; A248-A250 PolarHBondContact O-N 2.94Å; A248-V251 PolarHBondContact O-N 3.29Å; A248-M252 WeakPolarHBondContact O-CG 3.06Å; A248-M252 PolarHBondContact O-N 2.8Å
249D96.6Very high95.9Very high68 Ų6866 Ų6636%0.36430%0.296SS..Hα-helixtrans-62.6-38.6176.1-73.8-14.7000111.3R245 R246 R253R245-D249 IonicContact NE-OD2 2.59Å; R245-D249 WeakPolarHBondContact O-CB 3.32Å; R245-D249 VanDerWaalsContact O-CG 3.23Å; R245-D249 PolarHBondContact O-N 3.17Å; R246-D249 PolarHBondContact O-N 2.72Å; D249-R253 VanDerWaalsContact O-CB 3.24Å; D249-R253 WeakPolarHBondContact O-CB 3.42Å; D249-R253 WeakPolarHBondContact O-CD 3.48Å; D249-R253 WeakPolarHBondContact O-CG 3.25Å; D249-R253 PolarHBondContact O-N 3.17Å
250A95.6Very high95.7Very high5 Ų563.1 Ų63.14%0.04129%0.288CS..Hα-helixtrans-61.4-47.3176.200000112.2S28 H30 R246 R247 A248 R253 A254S28-A250 WeakPolarHBondContact O-CB 3.36Å; H30-A250 HydrophobicContact CB-CB 3.97Å; R246-A250 WeakPolarHBondContact O-CB 3.27Å; R246-A250 PolarHBondContact O-N 3.22Å; R247-A250 WeakPolarHBondContact O-CB 3.31Å; R247-A250 PolarHBondContact O-N 2.93Å; A248-A250 VanDerWaalsContact C-N 3.31Å; A248-A250 PolarHBondContact O-N 2.94Å; A250-R253 PolarHBondContact O-N 3.49Å; A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 2.87Å
251V97.4Very high95.5Very high2 Ų259.5 Ų59.51%0.01228%0.276CS..Hα-helixtrans-61.3-50.2177172.50000111L237 L243 R247 A248 R253 A254 M255 T302 A306L237-V251 HydrophobicContact CD1-CG1 4.47Å; L243-V251 HydrophobicContact CD1-CG2 3.98Å; R247-V251 WeakPolarHBondContact O-CG2 3.43Å; R247-V251 PolarHBondContact O-N 3.12Å; A248-V251 PolarHBondContact O-N 3.29Å; V251-R253 VanDerWaalsContact C-N 3.32Å; V251-R253 PolarHBondContact O-N 3.31Å; V251-A254 PolarHBondContact O-N 2.91Å; V251-M255 HydrophobicContact CG1-CE 4.22Å; V251-M255 WeakPolarHBondContact O-CG 3.5Å; V251-M255 PolarHBondContact O-N 3.18Å; V251-T302 HydrophobicContact CG2-CG2 4.28Å; V251-A306 HydrophobicContact CG2-CB 3.63Å
252M98Very high95.5Very high46 Ų4659.2 Ų59.223%0.22727%0.273CS..Hα-helixtrans-64.4-37.8-178.7-65-54.4-73.200112.3L231 Q235 I238 A248 M255 L256L231-M252 HydrophobicContact CB-CE 4Å; L231-M252 HydrophobicContact CD2-CE 3.75Å; L231-M252 HydrophobicContact CG-CE 4.31Å; Q235-M252 HydrophobicContact CG-CE 4.01Å; Q235-M252 HydrophobicContact CG-SD 4.24Å; I238-M252 HydrophobicContact CD1-CG 3.57Å; I238-M252 HydrophobicContact CD1-SD 3.67Å; A248-M252 WeakPolarHBondContact O-CG 3.06Å; A248-M252 PolarHBondContact O-N 2.8Å; M252-M255 PolarHBondContact O-N 3.32Å; M252-L256 PolarHBondContact O-N 2.96Å
253R96.8Very high95.5Very high163 Ų16351.3 Ų51.362%0.61524%0.237SC*.Hα-helixtrans-63.7-43.1173.7-75.5170.9-170.2-80.1-0.3111.3D249 A250 V251 M255 L256 H257D249-R253 VanDerWaalsContact O-CB 3.24Å; D249-R253 WeakPolarHBondContact O-CB 3.42Å; D249-R253 WeakPolarHBondContact O-CD 3.48Å; D249-R253 WeakPolarHBondContact O-CG 3.25Å; D249-R253 PolarHBondContact O-N 3.17Å; A250-R253 PolarHBondContact O-N 3.49Å; V251-R253 VanDerWaalsContact C-N 3.32Å; V251-R253 PolarHBondContact O-N 3.31Å; R253-M255 PolarHBondContact O-N 3.13Å; R253-L256 PolarHBondContact O-N 2.88Å; R253-H257 WeakPolarHBondContact O-CB 3.47Å; R253-H257 PolarHBondContact O-N 3.35Å
254A96.3Very high95.7Very high16 Ų1650.3 Ų50.313%0.13223%0.232CC..Hα-helixtrans-61.8-43.217700000111.8A250 V251 L256 H257 I258 F299 T302A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 2.87Å; V251-A254 PolarHBondContact O-N 2.91Å; A254-L256 PolarHBondContact O-N 3.24Å; A254-H257 PolarHBondContact O-N 3.42Å; A254-I258 PolarHBondContact O-N 2.66Å; A254-F299 HydrophobicContact CB-CD1 4.17Å; A254-F299 HydrophobicContact CB-CE1 4.18Å; A254-F299 WeakPolarHBondContact O-CE1 3.27Å; A254-T302 HydrophobicContact CB-CG2 3.82Å
255M96.4Very high95.8Very high7 Ų748.9 Ų48.93%0.03422%0.224CC..Hα-helixtrans-60.3-45.5175.4-65.5-58.8168.200112.6L230 L231 I233 V251 M252 R253 I258 W259 F303L230-M255 HydrophobicContact CB-SD 4.37Å; L231-M255 HydrophobicContact CD2-CB 3.9Å; I233-M255 HydrophobicContact CB-CE 4.39Å; I233-M255 HydrophobicContact CG2-CE 4.03Å; V251-M255 HydrophobicContact CG1-CE 4.22Å; V251-M255 WeakPolarHBondContact O-CG 3.5Å; V251-M255 PolarHBondContact O-N 3.18Å; M252-M255 PolarHBondContact O-N 3.32Å; R253-M255 PolarHBondContact O-N 3.13Å; M255-I258 WeakPolarHBondContact O-CG2 3.41Å; M255-W259 WeakPolarHBondContact O-CB 3.35Å; M255-W259 PolarHBondContact O-N 3.25Å; M255-F303 HydrophobicContact CE-CD1 4.34Å; M255-F303 HydrophobicContact CE-CE1 3.14Å; M255-F303 HydrophobicContact CE-CZ 3.24Å; M255-F303 HydrophobicContact SD-CZ 4.18Å
256L96.8Very high95.8Very high86 Ų8641 Ų4145%0.4520%0.197SC..Hα-helixtrans-68.6-38.5177.7-175.562.8000111.4M252 R253 A254 W259 V260M252-L256 PolarHBondContact O-N 2.96Å; R253-L256 PolarHBondContact O-N 2.88Å; A254-L256 PolarHBondContact O-N 3.24Å; L256-W259 PolarHBondContact O-N 3.44Å; L256-V260 HydrophobicContact CD1-CG2 3.74Å; L256-V260 HydrophobicContact CG-CG2 4.19Å; L256-V260 WeakPolarHBondContact O-CB 3.35Å; L256-V260 WeakPolarHBondContact O-CG2 3.44Å; L256-V260 PolarHBondContact O-N 3.22Å
257H94.9Very high95.7Very high73 Ų7344.7 Ų44.734%0.33822%0.215SC..Hα-helixtrans-63.2-50.3-179.3-17074.3000111.4R253 A254 W259 K261R253-H257 WeakPolarHBondContact O-CB 3.47Å; R253-H257 PolarHBondContact O-N 3.35Å; A254-H257 PolarHBondContact O-N 3.42Å; H257-W259 VanDerWaalsContact C-N 3.28Å; H257-W259 PolarHBondContact O-N 3.39Å; H257-K261 WeakPolarHBondContact CE1-CD 3.24Å; H257-K261 VanDerWaalsContact NE2-CD 3.27Å; H257-K261 WeakPolarHBondContact NE2-CD 3.2Å; H257-K261 PolarHBondContact NE2-NZ 3.26Å; H257-K261 WeakPolarHBondContact O-CB 2.99Å; H257-K261 PolarHBondContact O-N 3.22Å
258I95.5Very high95.6Very high22 Ų2249.2 Ų49.211%0.11324%0.241CC..Hα-helixtrans-63.2-37.8179.2-161171.2000111.5L230 A254 M255 F262 L263 F299L230-I258 HydrophobicContact CD2-CG2 3.66Å; A254-I258 PolarHBondContact O-N 2.66Å; M255-I258 WeakPolarHBondContact O-CG2 3.41Å; I258-F262 HydrophobicContact CG1-CD2 4.25Å; I258-F262 WeakPolarHBondContact O-CB 3.2Å; I258-F262 PolarHBondContact O-N 2.97Å; I258-L263 HydrophobicContact CD1-CD1 4.47Å; I258-L263 HydrophobicContact CG1-CD1 4.11Å; I258-L263 HydrophobicContact CG1-CG 4.11Å; I258-L263 HydrophobicContact CG2-CD1 4.23Å; I258-L263 PolarHBondContact O-N 3.39Å; I258-F299 HydrophobicContact CB-CD1 4.43Å; I258-F299 HydrophobicContact CB-CE1 3.64Å; I258-F299 HydrophobicContact CB-CE2 4.05Å; I258-F299 HydrophobicContact CB-CZ 3.42Å; I258-F299 VanDerWaalsContact CB-CZ 3.42Å; I258-F299 HydrophobicContact CD1-CD1 4.41Å; I258-F299 HydrophobicContact CD1-CD2 3.86Å; I258-F299 HydrophobicContact CD1-CE1 4.32Å; I258-F299 HydrophobicContact CD1-CE2 3.74Å; I258-F299 HydrophobicContact CD1-CG 4.22Å; I258-F299 HydrophobicContact CD1-CZ 4Å; I258-F299 HydrophobicContact CG1-CD2 4.43Å; I258-F299 HydrophobicContact CG1-CE1 4.27Å; I258-F299 HydrophobicContact CG1-CE2 3.8Å; I258-F299 HydrophobicContact CG1-CZ 3.73Å; I258-F299 HydrophobicContact CG2-CE1 4.45Å
259W96.7Very high95.3Very high2 Ų251 Ų511%0.00826%0.261CS..Iπ-helixtrans-62.4-60.8176.4-179.9-97.6000111.9L225 C227 L230 M255 L256 H257 L263 A264 H271 I275L225-W259 HydrophobicContact CB-CZ3 4.18Å; L225-W259 WeakPolarHBondContact O-CH2 3.47Å; C227-W259 HydrophobicContact CB-CD2 3.92Å; C227-W259 HydrophobicContact CB-CG 3.95Å; C227-W259 HydrophobicContact CB-CZ2 4.25Å; C227-W259 VanDerWaalsContact SG-CD1 3.53Å; L230-W259 HydrophobicContact CD1-CE3 4.07Å; L230-W259 HydrophobicContact CD1-CZ3 4.34Å; L230-W259 HydrophobicContact CD2-CB 4.27Å; L230-W259 HydrophobicContact CD2-CE3 4.2Å; M255-W259 WeakPolarHBondContact O-CB 3.35Å; M255-W259 PolarHBondContact O-N 3.25Å; L256-W259 PolarHBondContact O-N 3.44Å; H257-W259 VanDerWaalsContact C-N 3.28Å; H257-W259 PolarHBondContact O-N 3.39Å; W259-L263 HydrophobicContact CE3-CB 4.37Å; W259-L263 PolarHBondContact O-N 3.2Å; W259-A264 HydrophobicContact CD2-CB 3.66Å; W259-A264 HydrophobicContact CE3-CB 4.15Å; W259-A264 HydrophobicContact CG-CB 4.16Å; W259-A264 HydrophobicContact CH2-CB 3.89Å; W259-A264 HydrophobicContact CZ2-CB 3.39Å; W259-A264 HydrophobicContact CZ3-CB 4.26Å; W259-A264 WeakPolarHBondContact O-CB 3.42Å; W259-A264 PolarHBondContact O-N 2.93Å; W259-H271 AromaticContact CD1-CE1 3.55Å; W259-H271 AromaticContact CD1-NE2 3.97Å; W259-H271 AromaticContact NE1-CE1 3.2Å; W259-H271 PolarHBondContact NE1-CE1 3.37Å; W259-H271 AromaticContact NE1-NE2 3.39Å; W259-H271 PolarHBondContact NE1-NE2 3.39Å; W259-I275 HydrophobicContact CH2-CD1 4.18Å; W259-I275 HydrophobicContact CH2-CG1 4.01Å; W259-I275 HydrophobicContact CZ3-CD1 3.81Å; W259-I275 HydrophobicContact CZ3-CG1 4.05Å
260V95Very high95.2Very high73 Ų7354 Ų5444%0.44227%0.272SS..Iπ-helixtrans-68.9-39.6-171173.30000111.9L256 I265L256-V260 HydrophobicContact CD1-CG2 3.74Å; L256-V260 HydrophobicContact CG-CG2 4.19Å; L256-V260 WeakPolarHBondContact O-CB 3.35Å; L256-V260 WeakPolarHBondContact O-CG2 3.44Å; L256-V260 PolarHBondContact O-N 3.22Å; V260-I265 WeakPolarHBondContact O-CG2 3.36Å
261K93.1Very high95.2Very high62 Ų6258.2 Ų58.227%0.2729%0.291SS..Iπ-helixtrans-86.1-27.7-171.6-164.6176.7165.9-168.10113.1H257 E295H257-K261 WeakPolarHBondContact CE1-CD 3.24Å; H257-K261 VanDerWaalsContact NE2-CD 3.27Å; H257-K261 WeakPolarHBondContact NE2-CD 3.2Å; H257-K261 PolarHBondContact NE2-NZ 3.26Å; H257-K261 WeakPolarHBondContact O-CB 2.99Å; H257-K261 PolarHBondContact O-N 3.22Å; K261-E295 IonicContact NZ-OE1 3.32Å
262F94Very high95.1Very high8 Ų860.2 Ų60.24%0.03530%0.302CS..Iπ-helixtrans-131.5-54.8-168.9-53.8-55.4000114.3I258 I265 N283 M287 Y292 E295 F299I258-F262 HydrophobicContact CG1-CD2 4.25Å; I258-F262 WeakPolarHBondContact O-CB 3.2Å; I258-F262 PolarHBondContact O-N 2.97Å; F262-I265 WeakPolarHBondContact O-CG1 2.96Å; F262-N283 WeakPolarHBondContact O-CB 3.48Å; F262-M287 HydrophobicContact CB-CG 4.38Å; F262-M287 HydrophobicContact CB-SD 3.87Å; F262-M287 HydrophobicContact CD1-CG 4.09Å; F262-M287 HydrophobicContact CD1-SD 4.37Å; F262-M287 HydrophobicContact CD2-CG 4.42Å; F262-M287 HydrophobicContact CD2-SD 3.73Å; F262-M287 HydrophobicContact CE2-SD 4.38Å; F262-M287 HydrophobicContact CG-CG 4.03Å; F262-M287 HydrophobicContact CG-SD 3.72Å; F262-Y292 HydrophobicContact CD1-CD2 4.22Å; F262-Y292 HydrophobicContact CD1-CG 4.31Å; F262-Y292 AromaticContact CE1-CD1 3.69Å; F262-Y292 HydrophobicContact CE1-CD1 3.69Å; F262-Y292 AromaticContact CE1-CD2 3.36Å; F262-Y292 HydrophobicContact CE1-CD2 3.36Å; F262-Y292 HydrophobicContact CE1-CE1 4.25Å; F262-Y292 AromaticContact CE1-CE2 3.93Å; F262-Y292 HydrophobicContact CE1-CE2 3.93Å; F262-Y292 AromaticContact CE1-CG 3.18Å; F262-Y292 HydrophobicContact CE1-CG 3.18Å; F262-Y292 VanDerWaalsContact CZ-CB 3.48Å; F262-Y292 AromaticContact CZ-CD1 3.62Å; F262-Y292 HydrophobicContact CZ-CD1 3.62Å; F262-Y292 HydrophobicContact CZ-CD2 4.14Å; F262-Y292 HydrophobicContact CZ-CE1 4.34Å; F262-Y292 AromaticContact CZ-CG 3.48Å; F262-Y292 HydrophobicContact CZ-CG 3.48Å; F262-Y292 VanDerWaalsContact CZ-CG 3.48Å; F262-E295 HydrophobicContact CE2-CB 4.44Å; F262-E295 HydrophobicContact CE2-CG 4.29Å; F262-E295 HydrophobicContact CZ-CG 4.19Å; F262-F299 HydrophobicContact CD2-CE2 4.45Å; F262-F299 HydrophobicContact CE2-CE2 4.31Å; F262-F299 HydrophobicContact CE2-CZ 4.36Å
263L96.4Very high95Very high2 Ų264.3 Ų64.31%0.0132%0.324CS..Iπ-helixtrans-74.5-39.1-168.8-63.9177.1000112.4L230 I258 W259 I275 F280 N283 M284L230-L263 HydrophobicContact CD2-CD1 3.68Å; I258-L263 HydrophobicContact CD1-CD1 4.47Å; I258-L263 HydrophobicContact CG1-CD1 4.11Å; I258-L263 HydrophobicContact CG1-CG 4.11Å; I258-L263 HydrophobicContact CG2-CD1 4.23Å; I258-L263 PolarHBondContact O-N 3.39Å; W259-L263 HydrophobicContact CE3-CB 4.37Å; W259-L263 PolarHBondContact O-N 3.2Å; L263-I275 HydrophobicContact CB-CD1 3.89Å; L263-I275 WeakPolarHBondContact O-CD1 3.41Å; L263-F280 HydrophobicContact CD1-CE2 4.06Å; L263-F280 HydrophobicContact CD2-CD2 3.87Å; L263-F280 HydrophobicContact CD2-CE2 3.62Å; L263-F280 HydrophobicContact CD2-CZ 4.42Å; L263-F280 HydrophobicContact CG-CE2 4.41Å; L263-N283 PolarHBondContact O-ND2 2.94Å; L263-M284 HydrophobicContact CD2-CG 4.06Å; L263-M284 HydrophobicContact CD2-SD 3.58Å; L263-M284 VanDerWaalsContact CD2-SD 3.58Å
264A97Very high95Very high0 Ų059.2 Ų59.20%031%0.308CS..THydrogen-bonded Turntrans-111.653.2-169.600000111.9W259 H271 L272 I275W259-A264 HydrophobicContact CD2-CB 3.66Å; W259-A264 HydrophobicContact CE3-CB 4.15Å; W259-A264 HydrophobicContact CG-CB 4.16Å; W259-A264 HydrophobicContact CH2-CB 3.89Å; W259-A264 HydrophobicContact CZ2-CB 3.39Å; W259-A264 HydrophobicContact CZ3-CB 4.26Å; W259-A264 WeakPolarHBondContact O-CB 3.42Å; W259-A264 PolarHBondContact O-N 2.93Å; A264-H271 WeakPolarHBondContact O-CA 3.44Å; A264-H271 PolarHBondContact O-ND1 3.03Å; A264-L272 HydrophobicContact CB-CB 4.48Å; A264-L272 WeakPolarHBondContact CB-O 3.48Å; A264-L272 PolarHBondContact O-N 3.13Å; A264-I275 HydrophobicContact CB-CG2 4.21Å
265I96.3Very high95Very high48 Ų4858.5 Ų58.525%0.24630%0.301CS..BIsolated β-bridgetrans-121.4145.6171.459.9175000110V260 F262 E270 N283V260-I265 WeakPolarHBondContact O-CG2 3.36Å; F262-I265 WeakPolarHBondContact O-CG1 2.96Å; I265-E270 CarbonylContact C-O 3.5Å; I265-E270 VanDerWaalsContact CA-O 3.26Å; I265-E270 WeakPolarHBondContact CA-O 3.47Å; I265-N283 PolarHBondContact O-ND2 3.44Å
266D94.8Very high95Very high37 Ų3764.4 Ų64.420%0.19832%0.323CS..  trans-84.7-179.4169.989.2-20.2000111N268 G269 E270 L272D266-N268 PolarHBondContact O-N 2.9Å; D266-N268 VanDerWaalsContact O-N 3.1Å; D266-N268 VanDerWaalsContact OD1-CA 3.29Å; D266-N268 WeakPolarHBondContact OD1-CA 3.49Å; D266-N268 WeakPolarHBondContact OD1-CB 3.15Å; D266-N268 PolarHBondContact OD1-N 2.91Å; D266-N268 PolarHBondContact OD2-ND2 2.86Å; D266-G269 PolarHBondContact O-N 2.73Å; D266-G269 PolarHBondContact OD1-N 3.3Å; D266-E270 PolarHBondContact N-O 2.92Å; D266-E270 PolarHBondContact OD1-N 3.11Å; D266-L272 HydrophobicContact CB-CD1 4.3Å; D266-L272 HydrophobicContact CB-CD2 3.98Å; D266-L272 HydrophobicContact CB-CG 4.17Å
267K90.4Very high95Very high186 Ų18661 Ų6181%0.80931%0.305SS*.THydrogen-bonded Turntrans-60.3-18.5178.168.8-175.9-179.8179.20114.9
268N92.2Very high95Very high115 Ų11562.8 Ų62.862%0.61532%0.316SS*.THydrogen-bonded Turntrans-97.2-2.1178.1-53.2-59.6000111.7D266 E270D266-N268 PolarHBondContact O-N 2.9Å; D266-N268 VanDerWaalsContact O-N 3.1Å; D266-N268 VanDerWaalsContact OD1-CA 3.29Å; D266-N268 WeakPolarHBondContact OD1-CA 3.49Å; D266-N268 WeakPolarHBondContact OD1-CB 3.15Å; D266-N268 PolarHBondContact OD1-N 2.91Å; D266-N268 PolarHBondContact OD2-ND2 2.86Å; N268-E270 VanDerWaalsContact C-N 3.34Å; N268-E270 HydrophobicContact CB-CG 4.35Å
269G90.8Very high95.1Very high50 Ų5064 Ų6452%0.51532%0.321SS..SBendtrans80.611.3-173.300000114D266D266-G269 PolarHBondContact O-N 2.73Å; D266-G269 PolarHBondContact OD1-N 3.3Å
270E94.2Very high95.1Very high130 Ų13063.9 Ų63.961%0.60732%0.321SS*.PPolyproline II helixtrans-79.9147.6175.3-64.2-171.6161.300111I265 D266 N268I265-E270 CarbonylContact C-O 3.5Å; I265-E270 VanDerWaalsContact CA-O 3.26Å; I265-E270 WeakPolarHBondContact CA-O 3.47Å; D266-E270 PolarHBondContact N-O 2.92Å; D266-E270 PolarHBondContact OD1-N 3.11Å; N268-E270 VanDerWaalsContact C-N 3.34Å; N268-E270 HydrophobicContact CB-CG 4.35Å
271H95.6Very high95.1Very high95 Ų9560.7 Ų60.744%0.4430%0.301SS..BIsolated β-bridgetrans-72.1136.7-175.8-166.555.2000112.5W259 A264W259-H271 AromaticContact CD1-CE1 3.55Å; W259-H271 AromaticContact CD1-NE2 3.97Å; W259-H271 AromaticContact NE1-CE1 3.2Å; W259-H271 PolarHBondContact NE1-CE1 3.37Å; W259-H271 AromaticContact NE1-NE2 3.39Å; W259-H271 PolarHBondContact NE1-NE2 3.39Å; A264-H271 WeakPolarHBondContact O-CA 3.44Å; A264-H271 PolarHBondContact O-ND1 3.03Å
272L96.1Very high95.3Very high44 Ų4461.8 Ų61.823%0.2331%0.307CS..PPolyproline II helixtrans-102.4133.7171.7-62.6174.6000110.2A264 D266 E274 I275A264-L272 HydrophobicContact CB-CB 4.48Å; A264-L272 WeakPolarHBondContact CB-O 3.48Å; A264-L272 PolarHBondContact O-N 3.13Å; D266-L272 HydrophobicContact CB-CD1 4.3Å; D266-L272 HydrophobicContact CB-CD2 3.98Å; D266-L272 HydrophobicContact CB-CG 4.17Å; L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 3.34Å; L272-I275 HydrophobicContact CB-CG2 4.06Å; L272-I275 HydrophobicContact CD1-CG2 3.89Å
273D95.5Very high95.4Very high131 Ų13162 Ų6270%0.70131%0.309SS*.SBendtrans-72.8-24.9175.5-69.6-32.5000112.8
274E96.8Very high95.5Very high57 Ų5762 Ų6227%0.26631%0.309SS..EExtended strand (participates in β ladder)trans-149.8149.8-179.661.2-174.8-142.500110.8K224 L225 R226 L272K224-E274 HydrophobicContact CD-CG 4.47Å; K224-E274 VanDerWaalsContact CD-OE1 3.3Å; K224-E274 WeakPolarHBondContact CD-OE1 3.29Å; K224-E274 VanDerWaalsContact CE-OE1 3.3Å; K224-E274 WeakPolarHBondContact CE-OE1 3.41Å; K224-E274 IonicContact NZ-OE1 3.99Å; K224-E274 PolarHBondContact NZ-OE1 3.17Å; L225-E274 CarbonylContact O-C 3.55Å; L225-E274 WeakPolarHBondContact O-CA 3.36Å; R226-E274 HydrophobicContact CG-CB 4.02Å; R226-E274 IonicContact CZ-OE2 2.78Å; R226-E274 IonicContact NH1-OE2 3.54Å; R226-E274 PolarHBondContact NH1-OE2 3.44Å; R226-E274 IonicContact NH2-OE2 3.43Å; R226-E274 PolarHBondContact NH2-OE2 2.85Å; L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 3.34Å
275I97.2Very high95.5Very high0 Ų065.6 Ų65.60%032%0.322CS..EExtended strand (participates in β ladder)trans-132.2139.2179.863-178000111.9Y214 K224 L225 W259 L263 A264 L272 E279 F280Y214-I275 PolarHBondContact OH-O 3.25Å; K224-I275 CarbonylContact C-O 3.56Å; K224-I275 WeakPolarHBondContact CA-O 3.48Å; L225-I275 HydrophobicContact CB-CD1 4.44Å; L225-I275 HydrophobicContact CB-CG1 3.85Å; L225-I275 PolarHBondContact N-O 3.27Å; L225-I275 PolarHBondContact O-N 3.38Å; W259-I275 HydrophobicContact CH2-CD1 4.18Å; W259-I275 HydrophobicContact CH2-CG1 4.01Å; W259-I275 HydrophobicContact CZ3-CD1 3.81Å; W259-I275 HydrophobicContact CZ3-CG1 4.05Å; L263-I275 HydrophobicContact CB-CD1 3.89Å; L263-I275 WeakPolarHBondContact O-CD1 3.41Å; A264-I275 HydrophobicContact CB-CG2 4.21Å; L272-I275 HydrophobicContact CB-CG2 4.06Å; L272-I275 HydrophobicContact CD1-CG2 3.89Å; I275-E279 HydrophobicContact CB-CB 4.16Å; I275-E279 HydrophobicContact CG2-CB 4.47Å; I275-F280 HydrophobicContact CD1-CB 4.29Å; I275-F280 HydrophobicContact CD1-CD2 3.86Å
276R96.6Very high95.5Very high131 Ų13168.6 Ų68.649%0.49434%0.335SS..  trans-89.4168.2173-63.6172.6-68.1-176.4-0.6110.5Y214 K224 I278 E279 F280Y214-R276 WeakPolarHBondContact OH-CA 3.33Å; K224-R276 HydrophobicContact CG-CG 4.33Å; R276-I278 HydrophobicContact CB-CG2 4.34Å; R276-I278 PolarHBondContact O-N 2.98Å; R276-I278 VanDerWaalsContact O-N 3.15Å; R276-E279 WeakPolarHBondContact CB-OE2 3.48Å; R276-E279 IonicContact CZ-OE1 3.7Å; R276-E279 PolarHBondContact N-OE2 2.95Å; R276-E279 IonicContact NE-OE1 3.82Å; R276-E279 PolarHBondContact NE-OE1 3.26Å; R276-E279 IonicContact NE-OE2 2.78Å; R276-E279 PolarHBondContact NE-OE2 2.79Å; R276-E279 IonicContact NH2-OE1 3.27Å; R276-E279 PolarHBondContact NH2-OE1 3.11Å; R276-E279 PolarHBondContact O-N 3.15Å; R276-E279 VanDerWaalsContact O-N 3.08Å; R276-F280 PolarHBondContact O-N 3.47Å
277E96Very high95.5Very high14 Ų1467 Ų677%0.06533%0.327CS..Hα-helixtrans-51.4-41.5178.5-172.3-173.9109.200112.5R211 Y214 R215 F280 V281 P382 T383R211-E277 WeakPolarHBondContact CD-OE1 2.96Å; R211-E277 HydrophobicContact CG-CG 4.15Å; R211-E277 WeakPolarHBondContact CG-OE1 3.22Å; R211-E277 IonicContact CZ-OE1 3.85Å; R211-E277 IonicContact NE-OE1 2.77Å; R211-E277 IonicContact NH1-OE1 2.71Å; R211-E277 PolarHBondContact NH1-OE1 3.18Å; Y214-E277 HydrophobicContact CD1-CB 3.75Å; Y214-E277 HydrophobicContact CD1-CG 3.85Å; Y214-E277 HydrophobicContact CD2-CB 4.45Å; Y214-E277 HydrophobicContact CE1-CB 3.67Å; Y214-E277 HydrophobicContact CE1-CG 4.3Å; Y214-E277 HydrophobicContact CE2-CB 4.35Å; Y214-E277 HydrophobicContact CG-CB 4.15Å; Y214-E277 HydrophobicContact CG-CG 4.09Å; Y214-E277 PolarHBondContact OH-N 3.5Å; R215-E277 IonicContact NE-OE2 3.15Å; R215-E277 IonicContact NH2-OE2 3.92Å; E277-F280 PolarHBondContact O-N 2.85Å; E277-V281 HydrophobicContact CG-CG2 4.32Å; E277-V281 WeakPolarHBondContact O-CB 3.39Å; E277-V281 VanDerWaalsContact O-CG2 3.27Å; E277-V281 WeakPolarHBondContact O-CG2 3.47Å; E277-V281 PolarHBondContact O-N 3.25Å; E277-P382 WeakPolarHBondContact OE1-CA 3.15Å; E277-T383 PolarHBondContact OE1-N 3.21Å; E277-T383 VanDerWaalsContact OE2-CB 3.28Å; E277-T383 WeakPolarHBondContact OE2-CB 3.36Å; E277-T383 PolarHBondContact OE2-N 3.31Å; E277-T383 PolarHBondContact OE2-OG1 2.89Å
278I95.3Very high95.8Very high111 Ų11158.2 Ų58.257%0.56929%0.288SS*.Hα-helixtrans-65.3-40.5-178.9-169.363.6000112.7R276 H282R276-I278 HydrophobicContact CB-CG2 4.34Å; R276-I278 PolarHBondContact O-N 2.98Å; R276-I278 VanDerWaalsContact O-N 3.15Å; I278-H282 WeakPolarHBondContact O-CB 3.3Å; I278-H282 PolarHBondContact O-N 3.45Å
279E96.6Very high96Very high48 Ų4855.2 Ų55.222%0.22427%0.273CS..Hα-helixtrans-69.7-42.3176.9-73.1142.2176.800109.9I275 R276 H282 N283I275-E279 HydrophobicContact CB-CB 4.16Å; I275-E279 HydrophobicContact CG2-CB 4.47Å; R276-E279 WeakPolarHBondContact CB-OE2 3.48Å; R276-E279 IonicContact CZ-OE1 3.7Å; R276-E279 PolarHBondContact N-OE2 2.95Å; R276-E279 IonicContact NE-OE1 3.82Å; R276-E279 PolarHBondContact NE-OE1 3.26Å; R276-E279 IonicContact NE-OE2 2.78Å; R276-E279 PolarHBondContact NE-OE2 2.79Å; R276-E279 IonicContact NH2-OE1 3.27Å; R276-E279 PolarHBondContact NH2-OE1 3.11Å; R276-E279 PolarHBondContact O-N 3.15Å; R276-E279 VanDerWaalsContact O-N 3.08Å; E279-H282 PolarHBondContact O-N 3.16Å; E279-N283 VanDerWaalsContact O-CB 3.29Å; E279-N283 WeakPolarHBondContact O-CB 3.42Å; E279-N283 VanDerWaalsContact O-CG 3.24Å; E279-N283 PolarHBondContact O-N 3.03Å
280F96.9Very high96.1Very high0 Ų054.3 Ų54.30%026%0.263CS..Hα-helixtrans-59.8-48.6175.9-176.2-94.4000112.4I210 M213 Y214 L217 L225 L263 I275 R276 E277 N283 M284I210-F280 HydrophobicContact CG2-CD1 3.66Å; I210-F280 HydrophobicContact CG2-CE1 3.51Å; M213-F280 HydrophobicContact CE-CZ 4.05Å; M213-F280 HydrophobicContact CG-CE1 4.44Å; M213-F280 HydrophobicContact CG-CZ 4.14Å; M213-F280 HydrophobicContact SD-CE1 4.39Å; M213-F280 HydrophobicContact SD-CZ 3.95Å; Y214-F280 HydrophobicContact CD2-CB 3.56Å; Y214-F280 AromaticContact CD2-CD1 3.84Å; Y214-F280 HydrophobicContact CD2-CD1 3.84Å; Y214-F280 HydrophobicContact CD2-CD2 4.07Å; Y214-F280 AromaticContact CD2-CG 3.57Å; Y214-F280 HydrophobicContact CD2-CG 3.57Å; Y214-F280 HydrophobicContact CE2-CB 3.99Å; Y214-F280 HydrophobicContact CE2-CG 4.38Å; Y214-F280 HydrophobicContact CG-CD1 4.26Å; Y214-F280 HydrophobicContact CG-CG 4.42Å; L217-F280 HydrophobicContact CD1-CE2 4.05Å; L217-F280 HydrophobicContact CD1-CZ 3.99Å; L225-F280 HydrophobicContact CD1-CD2 3.91Å; L225-F280 HydrophobicContact CD1-CE2 4.07Å; L263-F280 HydrophobicContact CD1-CE2 4.06Å; L263-F280 HydrophobicContact CD2-CD2 3.87Å; L263-F280 HydrophobicContact CD2-CE2 3.62Å; L263-F280 HydrophobicContact CD2-CZ 4.42Å; L263-F280 HydrophobicContact CG-CE2 4.41Å; I275-F280 HydrophobicContact CD1-CB 4.29Å; I275-F280 HydrophobicContact CD1-CD2 3.86Å; R276-F280 PolarHBondContact O-N 3.47Å; E277-F280 PolarHBondContact O-N 2.85Å; F280-N283 PolarHBondContact O-N 3.29Å; F280-M284 HydrophobicContact CD1-CG 4.21Å; F280-M284 HydrophobicContact CE1-CG 3.96Å; F280-M284 HydrophobicContact CE2-CG 4.5Å; F280-M284 HydrophobicContact CZ-CG 4.11Å; F280-M284 HydrophobicContact CZ-SD 4.48Å; F280-M284 WeakPolarHBondContact O-CB 3.36Å; F280-M284 VanDerWaalsContact O-CG 3.23Å; F280-M284 WeakPolarHBondContact O-CG 3.45Å; F280-M284 PolarHBondContact O-N 3.41Å
281V96.7Very high96Very high5 Ų556.3 Ų56.33%0.0327%0.272CS..Hα-helixtrans-63.6-42.6178.6172.80000111.1W206 E207 I210 R211 E277 R285W206-V281 HydrophobicContact CZ3-CG1 3.97Å; E207-V281 HydrophobicContact CG-CG1 4.25Å; I210-V281 HydrophobicContact CB-CG2 4.41Å; I210-V281 HydrophobicContact CG2-CB 4.44Å; I210-V281 HydrophobicContact CG2-CG2 3.92Å; R211-V281 HydrophobicContact CG-CG2 4.09Å; E277-V281 HydrophobicContact CG-CG2 4.32Å; E277-V281 WeakPolarHBondContact O-CB 3.39Å; E277-V281 VanDerWaalsContact O-CG2 3.27Å; E277-V281 WeakPolarHBondContact O-CG2 3.47Å; E277-V281 PolarHBondContact O-N 3.25Å; V281-R285 PolarHBondContact O-N 2.75Å; V281-R285 VanDerWaalsContact O-N 3.13Å
282H96.2Very high95.7Very high86 Ų8656.6 Ų56.640%0.39827%0.27SS..Hα-helixtrans-61.9-50176.717761.1000111.8I278 E279 M284 R285 E286I278-H282 WeakPolarHBondContact O-CB 3.3Å; I278-H282 PolarHBondContact O-N 3.45Å; E279-H282 PolarHBondContact O-N 3.16Å; H282-M284 PolarHBondContact O-N 2.84Å; H282-R285 WeakPolarHBondContact O-CB 3.37Å; H282-R285 PolarHBondContact O-N 2.75Å; H282-R285 VanDerWaalsContact O-N 3.1Å; H282-E286 IonicContact CE1-OE1 3.98Å; H282-E286 PolarHBondContact O-N 2.97Å
283N97.3Very high95.6Very high12 Ų1255.8 Ų55.86%0.06426%0.264CS..Hα-helixtrans-68-35.6-176.9-71.7-4.6000112.5F262 L263 I265 E279 F280 R285 E286 M287F262-N283 WeakPolarHBondContact O-CB 3.48Å; L263-N283 PolarHBondContact O-ND2 2.94Å; I265-N283 PolarHBondContact O-ND2 3.44Å; E279-N283 VanDerWaalsContact O-CB 3.29Å; E279-N283 WeakPolarHBondContact O-CB 3.42Å; E279-N283 VanDerWaalsContact O-CG 3.24Å; E279-N283 PolarHBondContact O-N 3.03Å; F280-N283 PolarHBondContact O-N 3.29Å; N283-R285 VanDerWaalsContact C-N 3.31Å; N283-R285 PolarHBondContact O-N 2.72Å; N283-E286 PolarHBondContact O-N 2.89Å; N283-M287 WeakPolarHBondContact O-CB 3.31Å; N283-M287 PolarHBondContact O-N 3.35Å
284M97.1Very high95.3Very high2 Ų254 Ų541%0.0125%0.251CS..Hα-helixtrans-62.3-38.4171.4-75.2-63.7-63.700112W206 I210 L263 F280 H282 M287 I288 F362W206-M284 HydrophobicContact CH2-CB 3.96Å; W206-M284 HydrophobicContact CZ2-CB 4.22Å; I210-M284 HydrophobicContact CD1-CE 4.24Å; I210-M284 HydrophobicContact CG2-CB 3.96Å; I210-M284 HydrophobicContact CG2-CG 3.92Å; L263-M284 HydrophobicContact CD2-CG 4.06Å; L263-M284 HydrophobicContact CD2-SD 3.58Å; L263-M284 VanDerWaalsContact CD2-SD 3.58Å; F280-M284 HydrophobicContact CD1-CG 4.21Å; F280-M284 HydrophobicContact CE1-CG 3.96Å; F280-M284 HydrophobicContact CE2-CG 4.5Å; F280-M284 HydrophobicContact CZ-CG 4.11Å; F280-M284 HydrophobicContact CZ-SD 4.48Å; F280-M284 WeakPolarHBondContact O-CB 3.36Å; F280-M284 VanDerWaalsContact O-CG 3.23Å; F280-M284 WeakPolarHBondContact O-CG 3.45Å; F280-M284 PolarHBondContact O-N 3.41Å; H282-M284 PolarHBondContact O-N 2.84Å; M284-M287 HydrophobicContact CE-CE 3.64Å; M284-M287 PolarHBondContact O-N 3.48Å; M284-M287 HydrophobicContact SD-CE 3.63Å; M284-I288 WeakPolarHBondContact O-CG1 3.38Å; M284-I288 WeakPolarHBondContact O-CG2 3.21Å; M284-I288 PolarHBondContact O-N 2.74Å; M284-I288 VanDerWaalsContact O-N 3.09Å; M284-F362 HydrophobicContact CE-CD1 3.48Å; M284-F362 VanDerWaalsContact CE-CD1 3.48Å; M284-F362 HydrophobicContact CE-CE1 3.42Å; M284-F362 VanDerWaalsContact CE-CE1 3.42Å
285R96.9Very high95.1Very high75 Ų7553.9 Ų53.928%0.28325%0.251SS..Hα-helixtrans-63.7-47.4177.3169.8-178.8-61.61700.2110.9C202 W206 E207 V281 H282 N283 M287 I288 N289C202-R285 HydrophobicContact CB-CG 4.1Å; C202-R285 VanDerWaalsContact CB-NE 3.25Å; C202-R285 PolarHBondContact O-NH2 3.33Å; W206-R285 HydrophobicContact CH2-CB 3.71Å; W206-R285 HydrophobicContact CZ3-CB 4.1Å; E207-R285 IonicContact OE1-CZ 3.97Å; E207-R285 IonicContact OE1-NH2 3.59Å; E207-R285 PolarHBondContact OE1-NH2 3.07Å; V281-R285 PolarHBondContact O-N 2.75Å; V281-R285 VanDerWaalsContact O-N 3.13Å; H282-R285 WeakPolarHBondContact O-CB 3.37Å; H282-R285 PolarHBondContact O-N 2.75Å; H282-R285 VanDerWaalsContact O-N 3.1Å; N283-R285 VanDerWaalsContact C-N 3.31Å; N283-R285 PolarHBondContact O-N 2.72Å; R285-M287 VanDerWaalsContact C-N 3.32Å; R285-M287 PolarHBondContact O-N 2.69Å; R285-I288 WeakPolarHBondContact O-CG1 3.47Å; R285-I288 PolarHBondContact O-N 2.88Å; R285-N289 PolarHBondContact O-N 3.36Å
286E95.9Very high95Very high111 Ų11154 Ų5452%0.51925%0.252SS..Hα-helixtrans-61.6-41176.9-65.5-55.7124.800111.4H282 N283 G290H282-E286 IonicContact CE1-OE1 3.98Å; H282-E286 PolarHBondContact O-N 2.97Å; N283-E286 PolarHBondContact O-N 2.89Å; E286-G290 WeakPolarHBondContact O-CA 3.4Å; E286-G290 PolarHBondContact O-N 2.95Å
287M95.5Very high94.9Very high5 Ų548.5 Ų48.53%0.02523%0.232CC..Hα-helixtrans-62.9-47.9179.2-173.9-174.565.900112.5F262 N283 M284 R285 N289 G290 R293 I296F262-M287 HydrophobicContact CB-CG 4.38Å; F262-M287 HydrophobicContact CB-SD 3.87Å; F262-M287 HydrophobicContact CD1-CG 4.09Å; F262-M287 HydrophobicContact CD1-SD 4.37Å; F262-M287 HydrophobicContact CD2-CG 4.42Å; F262-M287 HydrophobicContact CD2-SD 3.73Å; F262-M287 HydrophobicContact CE2-SD 4.38Å; F262-M287 HydrophobicContact CG-CG 4.03Å; F262-M287 HydrophobicContact CG-SD 3.72Å; N283-M287 WeakPolarHBondContact O-CB 3.31Å; N283-M287 PolarHBondContact O-N 3.35Å; M284-M287 HydrophobicContact CE-CE 3.64Å; M284-M287 PolarHBondContact O-N 3.48Å; M284-M287 HydrophobicContact SD-CE 3.63Å; R285-M287 VanDerWaalsContact C-N 3.32Å; R285-M287 PolarHBondContact O-N 2.69Å; M287-N289 PolarHBondContact O-N 2.89Å; M287-G290 PolarHBondContact O-N 2.88Å; M287-R293 WeakPolarHBondContact O-CA 3.09Å; M287-R293 PolarHBondContact O-N 3.4Å; M287-I296 HydrophobicContact CE-CD1 3.29Å; M287-I296 HydrophobicContact CE-CG1 4.2Å
288I96.4Very high94.8Very high0 Ų049 Ų490%023%0.234CC..Hα-helixtrans-75.2-23.7-175.166161.6000113.9I200 W206 M284 R285 R293 I296 F362 L363I200-I288 HydrophobicContact CB-CD1 3.96Å; I200-I288 HydrophobicContact CG1-CD1 4.06Å; I200-I288 HydrophobicContact CG2-CD1 4.13Å; W206-I288 VanDerWaalsContact CE2-CD1 3.43Å; W206-I288 HydrophobicContact CZ2-CD1 3.45Å; W206-I288 VanDerWaalsContact CZ2-CD1 3.45Å; W206-I288 HydrophobicContact CZ2-CG1 4.07Å; M284-I288 WeakPolarHBondContact O-CG1 3.38Å; M284-I288 WeakPolarHBondContact O-CG2 3.21Å; M284-I288 PolarHBondContact O-N 2.74Å; M284-I288 VanDerWaalsContact O-N 3.09Å; R285-I288 WeakPolarHBondContact O-CG1 3.47Å; R285-I288 PolarHBondContact O-N 2.88Å; I288-R293 WeakPolarHBondContact O-CB 3.27Å; I288-R293 PolarHBondContact O-NH1 3.49Å; I288-I296 HydrophobicContact CG2-CD1 4.15Å; I288-I296 HydrophobicContact CG2-CG1 4.18Å; I288-F362 WeakPolarHBondContact CD1-O 3.07Å; I288-L363 HydrophobicContact CB-CD2 3.87Å; I288-L363 HydrophobicContact CG2-CD2 4.12Å
289N96.5Very high94.8Very high53 Ų5344.1 Ų44.128%0.28321%0.209SC..Hα-helixtrans-99.6-7.7176.9-76.8-34.8000113.3I200 R285 M287I200-N289 PolarHBondContact N-OD1 2.79Å; I200-N289 PolarHBondContact O-ND2 2.91Å; R285-N289 PolarHBondContact O-N 3.36Å; M287-N289 PolarHBondContact O-N 2.89Å
290G94.2Very high94.8Very high30 Ų3041.8 Ų41.831%0.30920%0.198SC..SBendtrans-94.3-170.7177.900000114.2E286 M287 Y292 R293E286-G290 WeakPolarHBondContact O-CA 3.4Å; E286-G290 PolarHBondContact O-N 2.95Å; M287-G290 PolarHBondContact O-N 2.88Å; G290-Y292 PolarHBondContact O-N 2.65Å; G290-Y292 VanDerWaalsContact O-N 3.15Å; G290-R293 WeakPolarHBondContact O-CG 3.29Å; G290-R293 PolarHBondContact O-N 2.96Å
291E90.5Very high94.7Very high173 Ų17342 Ų4281%0.80820%0.199SC*.THydrogen-bonded Turntrans-63.9-19.6-177.8-60.8-175.2156.600113.4
292Y89.7Confident94.7Very high101 Ų10142.1 Ų42.140%0.39620%0.2SC..THydrogen-bonded Turntrans-94.55.9-175.3-57-71.8000114.1F262 G290 H294 E295F262-Y292 HydrophobicContact CD1-CD2 4.22Å; F262-Y292 HydrophobicContact CD1-CG 4.31Å; F262-Y292 AromaticContact CE1-CD1 3.69Å; F262-Y292 HydrophobicContact CE1-CD1 3.69Å; F262-Y292 AromaticContact CE1-CD2 3.36Å; F262-Y292 HydrophobicContact CE1-CD2 3.36Å; F262-Y292 HydrophobicContact CE1-CE1 4.25Å; F262-Y292 AromaticContact CE1-CE2 3.93Å; F262-Y292 HydrophobicContact CE1-CE2 3.93Å; F262-Y292 AromaticContact CE1-CG 3.18Å; F262-Y292 HydrophobicContact CE1-CG 3.18Å; F262-Y292 VanDerWaalsContact CZ-CB 3.48Å; F262-Y292 AromaticContact CZ-CD1 3.62Å; F262-Y292 HydrophobicContact CZ-CD1 3.62Å; F262-Y292 HydrophobicContact CZ-CD2 4.14Å; F262-Y292 HydrophobicContact CZ-CE1 4.34Å; F262-Y292 AromaticContact CZ-CG 3.48Å; F262-Y292 HydrophobicContact CZ-CG 3.48Å; F262-Y292 VanDerWaalsContact CZ-CG 3.48Å; G290-Y292 PolarHBondContact O-N 2.65Å; G290-Y292 VanDerWaalsContact O-N 3.15Å; Y292-H294 PolarHBondContact O-N 3.05Å; Y292-E295 VanDerWaalsContact O-CB 3.29Å; Y292-E295 WeakPolarHBondContact O-CB 3.25Å; Y292-E295 WeakPolarHBondContact O-CG 3.49Å; Y292-E295 PolarHBondContact O-N 2.87Å
293R93.7Very high94.8Very high26 Ų2639.1 Ų39.110%0.09819%0.185CC..THydrogen-bonded Turntrans-55.9-26.8179.967.9-176.6-67.3135.9-2114A194 G198 M287 I288 G290 E295 I296A194-R293 HydrophobicContact CB-CB 4.22Å; A194-R293 HydrophobicContact CB-CG 3.86Å; A194-R293 PolarHBondContact O-NE 3.48Å; A194-R293 PolarHBondContact O-NH2 3.49Å; G198-R293 PolarHBondContact O-NH1 2.8Å; G198-R293 VanDerWaalsContact O-NH1 3.16Å; G198-R293 PolarHBondContact O-NH2 3.24Å; M287-R293 WeakPolarHBondContact O-CA 3.09Å; M287-R293 PolarHBondContact O-N 3.4Å; I288-R293 WeakPolarHBondContact O-CB 3.27Å; I288-R293 PolarHBondContact O-NH1 3.49Å; G290-R293 WeakPolarHBondContact O-CG 3.29Å; G290-R293 PolarHBondContact O-N 2.96Å; R293-E295 VanDerWaalsContact C-N 3.26Å; R293-E295 PolarHBondContact O-N 3.15Å; R293-I296 WeakPolarHBondContact O-CB 3.38Å; R293-I296 PolarHBondContact O-N 2.84Å
294H89.9Confident94.7Very high94 Ų9438.6 Ų38.644%0.43518%0.182SC..THydrogen-bonded Turntrans-69.8-20.9175.6-59.5-72.9000112.9E195 Y292 I296 D297E195-H294 IonicContact OE2-CE1 3.47Å; E195-H294 PolarHBondContact OE2-CE1 2.88Å; E195-H294 IonicContact OE2-ND1 3.98Å; E195-H294 PolarHBondContact OE2-ND1 3.24Å; Y292-H294 PolarHBondContact O-N 3.05Å; H294-I296 PolarHBondContact O-N 3.32Å; H294-D297 PolarHBondContact O-N 3.11Å
295E92.2Very high94.7Very high55 Ų5538.6 Ų38.626%0.25718%0.182SC..Hα-helixtrans-68-19.9176.2-60-75.2-172.900112.1K261 F262 Y292 R293 D297 Q298 F299K261-E295 IonicContact NZ-OE1 3.32Å; F262-E295 HydrophobicContact CE2-CB 4.44Å; F262-E295 HydrophobicContact CE2-CG 4.29Å; F262-E295 HydrophobicContact CZ-CG 4.19Å; Y292-E295 VanDerWaalsContact O-CB 3.29Å; Y292-E295 WeakPolarHBondContact O-CB 3.25Å; Y292-E295 WeakPolarHBondContact O-CG 3.49Å; Y292-E295 PolarHBondContact O-N 2.87Å; R293-E295 VanDerWaalsContact C-N 3.26Å; R293-E295 PolarHBondContact O-N 3.15Å; E295-D297 PolarHBondContact O-N 2.83Å; E295-Q298 WeakPolarHBondContact O-CB 3.41Å; E295-Q298 PolarHBondContact O-N 3.03Å; E295-F299 HydrophobicContact CB-CD2 4.23Å; E295-F299 HydrophobicContact CB-CE2 3.78Å; E295-F299 WeakPolarHBondContact O-CD2 3.28Å; E295-F299 PolarHBondContact O-N 2.79Å
296I95.1Very high94.6Very high3 Ų335 Ų352%0.01517%0.169CC..Hα-helixtrans-54-53174.6-71.5-64000110.2M287 I288 R293 H294 Q298 F299 G300 W358 F362M287-I296 HydrophobicContact CE-CD1 3.29Å; M287-I296 HydrophobicContact CE-CG1 4.2Å; I288-I296 HydrophobicContact CG2-CD1 4.15Å; I288-I296 HydrophobicContact CG2-CG1 4.18Å; R293-I296 WeakPolarHBondContact O-CB 3.38Å; R293-I296 PolarHBondContact O-N 2.84Å; H294-I296 PolarHBondContact O-N 3.32Å; I296-Q298 PolarHBondContact O-N 3.04Å; I296-F299 PolarHBondContact O-N 3.1Å; I296-G300 PolarHBondContact O-N 2.81Å; I296-G300 VanDerWaalsContact O-N 3.12Å; I296-W358 PolarHBondContact O-NE1 3.06Å; I296-F362 HydrophobicContact CD1-CB 4.06Å; I296-F362 HydrophobicContact CD1-CD1 4.19Å; I296-F362 HydrophobicContact CD1-CD2 4.21Å; I296-F362 HydrophobicContact CD1-CG 3.88Å; I296-F362 HydrophobicContact CG1-CB 4.44Å; I296-F362 HydrophobicContact CG2-CB 4.03Å; I296-F362 HydrophobicContact CG2-CD2 3.91Å; I296-F362 HydrophobicContact CG2-CG 4.23Å
297D94.3Very high94.7Very high15 Ų1529.8 Ų29.88%0.0815%0.145CC..Hα-helixtrans-67.7-31.5-176.686.5-18.9000111.6R23 Y191 R193 H294 E295 G300 W301R23-D297 IonicContact NH2-OD1 3.86Å; R23-D297 IonicContact NH2-OD2 3.86Å; Y191-D297 HydrophobicContact CE2-CB 4.06Å; Y191-D297 PolarHBondContact OH-OD2 3.3Å; R193-D297 IonicContact CZ-OD2 3.43Å; R193-D297 IonicContact NE-OD2 2.81Å; H294-D297 PolarHBondContact O-N 3.11Å; E295-D297 PolarHBondContact O-N 2.83Å; D297-G300 PolarHBondContact O-N 2.85Å; D297-W301 WeakPolarHBondContact O-CB 3.39Å; D297-W301 PolarHBondContact O-N 3.33Å
298Q94.5Very high94.6Very high24 Ų2429.6 Ų29.611%0.11214%0.144CC..Hα-helixtrans-65.7-42.6174.9-177.252.250.900112G29 G31 E295 I296 G300 W301 T302G29-Q298 PolarHBondContact O-NE2 2.98Å; G31-Q298 VanDerWaalsContact N-NE2 3.19Å; E295-Q298 WeakPolarHBondContact O-CB 3.41Å; E295-Q298 PolarHBondContact O-N 3.03Å; I296-Q298 PolarHBondContact O-N 3.04Å; Q298-G300 VanDerWaalsContact C-N 3.35Å; Q298-W301 WeakPolarHBondContact O-CB 3.35Å; Q298-W301 PolarHBondContact O-N 2.96Å; Q298-T302 PolarHBondContact NE2-OG1 2.89Å; Q298-T302 PolarHBondContact O-N 2.89Å; Q298-T302 PolarHBondContact O-OG1 3.41Å
299F95.5Very high94.3Very high8 Ų834 Ų344%0.03517%0.166CC..Hα-helixtrans-62.2-44.5174.1-71.6-59.3000111.4A254 I258 F262 E295 I296 W301 T302 F303 W358A254-F299 HydrophobicContact CB-CD1 4.17Å; A254-F299 HydrophobicContact CB-CE1 4.18Å; A254-F299 WeakPolarHBondContact O-CE1 3.27Å; I258-F299 HydrophobicContact CB-CD1 4.43Å; I258-F299 HydrophobicContact CB-CE1 3.64Å; I258-F299 HydrophobicContact CB-CE2 4.05Å; I258-F299 HydrophobicContact CB-CZ 3.42Å; I258-F299 VanDerWaalsContact CB-CZ 3.42Å; I258-F299 HydrophobicContact CD1-CD1 4.41Å; I258-F299 HydrophobicContact CD1-CD2 3.86Å; I258-F299 HydrophobicContact CD1-CE1 4.32Å; I258-F299 HydrophobicContact CD1-CE2 3.74Å; I258-F299 HydrophobicContact CD1-CG 4.22Å; I258-F299 HydrophobicContact CD1-CZ 4Å; I258-F299 HydrophobicContact CG1-CD2 4.43Å; I258-F299 HydrophobicContact CG1-CE1 4.27Å; I258-F299 HydrophobicContact CG1-CE2 3.8Å; I258-F299 HydrophobicContact CG1-CZ 3.73Å; I258-F299 HydrophobicContact CG2-CE1 4.45Å; F262-F299 HydrophobicContact CD2-CE2 4.45Å; F262-F299 HydrophobicContact CE2-CE2 4.31Å; F262-F299 HydrophobicContact CE2-CZ 4.36Å; E295-F299 HydrophobicContact CB-CD2 4.23Å; E295-F299 HydrophobicContact CB-CE2 3.78Å; E295-F299 WeakPolarHBondContact O-CD2 3.28Å; E295-F299 PolarHBondContact O-N 2.79Å; I296-F299 PolarHBondContact O-N 3.1Å; F299-W301 VanDerWaalsContact C-N 3.27Å; F299-W301 PolarHBondContact O-N 3.16Å; F299-T302 PolarHBondContact O-N 2.9Å; F299-F303 WeakPolarHBondContact O-CD2 3.45Å; F299-F303 PolarHBondContact O-N 3.5Å; F299-W358 HydrophobicContact CB-CZ2 3.91Å
300G96.1Very high94Very high0 Ų036.7 Ų36.70%018%0.181CC..Hα-helixtrans-57.5-42.9175.100000111.7I296 D297 Q298 F303 F304 F354 W358I296-G300 PolarHBondContact O-N 2.81Å; I296-G300 VanDerWaalsContact O-N 3.12Å; D297-G300 PolarHBondContact O-N 2.85Å; Q298-G300 VanDerWaalsContact C-N 3.35Å; G300-F303 PolarHBondContact O-N 3.36Å; G300-F304 WeakPolarHBondContact O-CB 3.16Å; G300-F304 PolarHBondContact O-N 3.3Å; G300-F354 VanDerWaalsContact O-CE1 3.25Å; G300-F354 WeakPolarHBondContact O-CE1 3.49Å; G300-W358 VanDerWaalsContact CA-CE2 3.43Å
301W95.6Very high93.7Very high4 Ų436.8 Ų36.82%0.01517%0.174CC..Hα-helixtrans-63-45.6176.4176.1-107.2000112.7R23 D26 D297 Q298 F299 F303 F304 K305 L355R23-W301 HydrophobicContact CB-CH2 3.69Å; R23-W301 HydrophobicContact CB-CZ2 3.79Å; R23-W301 HydrophobicContact CB-CZ3 4.16Å; R23-W301 HydrophobicContact CG-CZ2 4.47Å; R23-W301 WeakPolarHBondContact O-CH2 3.17Å; R23-W301 WeakPolarHBondContact O-CZ2 3.41Å; D26-W301 PolarHBondContact OD2-NE1 3.14Å; D297-W301 WeakPolarHBondContact O-CB 3.39Å; D297-W301 PolarHBondContact O-N 3.33Å; Q298-W301 WeakPolarHBondContact O-CB 3.35Å; Q298-W301 PolarHBondContact O-N 2.96Å; F299-W301 VanDerWaalsContact C-N 3.27Å; F299-W301 PolarHBondContact O-N 3.16Å; W301-F303 VanDerWaalsContact C-N 3.28Å; W301-F303 PolarHBondContact O-N 2.93Å; W301-F304 HydrophobicContact CE3-CD1 4.25Å; W301-F304 AromaticContact CZ3-CD1 3.93Å; W301-F304 HydrophobicContact CZ3-CD1 3.93Å; W301-F304 HydrophobicContact CZ3-CE1 4.33Å; W301-F304 WeakPolarHBondContact O-CB 3.37Å; W301-F304 PolarHBondContact O-N 3.33Å; W301-K305 HydrophobicContact CD2-CG 3.98Å; W301-K305 HydrophobicContact CE3-CG 4.4Å; W301-K305 HydrophobicContact CH2-CD 3.63Å; W301-K305 HydrophobicContact CH2-CG 4Å; W301-K305 HydrophobicContact CZ2-CD 3.47Å; W301-K305 VanDerWaalsContact CZ2-CD 3.47Å; W301-K305 HydrophobicContact CZ2-CG 3.51Å; W301-K305 HydrophobicContact CZ3-CD 4.3Å; W301-K305 HydrophobicContact CZ3-CG 4.42Å; W301-K305 WeakPolarHBondContact O-CB 3.43Å; W301-K305 WeakPolarHBondContact O-CG 3.48Å; W301-K305 PolarHBondContact O-N 3.18Å; W301-L355 HydrophobicContact CE3-CD1 4.34Å
302T96.7Very high93.7Very high8 Ų829.8 Ų29.85%0.04915%0.145CC..Hα-helixtrans-57.2-43.4175.7-52.40000111.1G29 V251 A254 Q298 F299 K305 A306G29-T302 WeakPolarHBondContact O-CA 3.26Å; G29-T302 WeakPolarHBondContact O-CB 3.36Å; G29-T302 PolarHBondContact O-OG1 3.28Å; V251-T302 HydrophobicContact CG2-CG2 4.28Å; A254-T302 HydrophobicContact CB-CG2 3.82Å; Q298-T302 PolarHBondContact NE2-OG1 2.89Å; Q298-T302 PolarHBondContact O-N 2.89Å; Q298-T302 PolarHBondContact O-OG1 3.41Å; F299-T302 PolarHBondContact O-N 2.9Å; T302-K305 CarbonylContact O-C 3.41Å; T302-K305 PolarHBondContact O-N 3.47Å; T302-A306 PolarHBondContact O-N 2.87Å
303F96.7Very high93.7Very high22 Ų2225.4 Ų25.410%0.09613%0.13CC..Hα-helixtrans-66.2-44.2177-76.6-61.7000112.9L237 M255 F299 G300 W301 K305 A306 I307 L323 W327 F354 W358L237-F303 HydrophobicContact CD1-CD1 3.83Å; L237-F303 HydrophobicContact CD1-CE1 3.93Å; M255-F303 HydrophobicContact CE-CD1 4.34Å; M255-F303 HydrophobicContact CE-CE1 3.14Å; M255-F303 HydrophobicContact CE-CZ 3.24Å; M255-F303 HydrophobicContact SD-CZ 4.18Å; F299-F303 WeakPolarHBondContact O-CD2 3.45Å; F299-F303 PolarHBondContact O-N 3.5Å; G300-F303 PolarHBondContact O-N 3.36Å; W301-F303 VanDerWaalsContact C-N 3.28Å; W301-F303 PolarHBondContact O-N 2.93Å; F303-K305 VanDerWaalsContact C-N 3.29Å; F303-K305 PolarHBondContact O-N 2.8Å; F303-A306 WeakPolarHBondContact O-CB 3.44Å; F303-A306 PolarHBondContact O-N 3.08Å; F303-I307 WeakPolarHBondContact O-CG1 3.15Å; F303-I307 PolarHBondContact O-N 3.35Å; F303-L323 HydrophobicContact CB-CD1 4.18Å; F303-L323 HydrophobicContact CD1-CD1 3.82Å; F303-L323 HydrophobicContact CG-CD1 4.28Å; F303-W327 AromaticContact CD1-CZ2 3.93Å; F303-W327 HydrophobicContact CD1-CZ2 3.93Å; F303-W327 AromaticContact CD2-CZ2 3.95Å; F303-W327 HydrophobicContact CD2-CZ2 3.95Å; F303-W327 HydrophobicContact CE1-CZ2 4.02Å; F303-W327 HydrophobicContact CE2-CZ2 4.1Å; F303-W327 AromaticContact CG-CZ2 3.89Å; F303-W327 HydrophobicContact CG-CZ2 3.89Å; F303-W327 HydrophobicContact CZ-CZ2 4.12Å; F303-F354 HydrophobicContact CB-CZ 4.39Å; F303-W358 AromaticContact CD2-CH2 3.6Å; F303-W358 HydrophobicContact CD2-CH2 3.6Å; F303-W358 HydrophobicContact CD2-CZ2 4.12Å; F303-W358 HydrophobicContact CD2-CZ3 4.1Å; F303-W358 AromaticContact CE2-CH2 3.7Å; F303-W358 HydrophobicContact CE2-CH2 3.7Å; F303-W358 HydrophobicContact CE2-CZ2 4.29Å; F303-W358 HydrophobicContact CE2-CZ3 4.48Å
304F96.6Very high93.6Very high1 Ų125.9 Ų25.90%0.00413%0.132CC..Hα-helixtrans-55.4-48.9174.2-178.4-91000110.4G300 W301 A306 I307 E308 I315 F354G300-F304 WeakPolarHBondContact O-CB 3.16Å; G300-F304 PolarHBondContact O-N 3.3Å; W301-F304 HydrophobicContact CE3-CD1 4.25Å; W301-F304 AromaticContact CZ3-CD1 3.93Å; W301-F304 HydrophobicContact CZ3-CD1 3.93Å; W301-F304 HydrophobicContact CZ3-CE1 4.33Å; W301-F304 WeakPolarHBondContact O-CB 3.37Å; W301-F304 PolarHBondContact O-N 3.33Å; F304-A306 PolarHBondContact O-N 3.31Å; F304-I307 WeakPolarHBondContact O-CG1 3.26Å; F304-I307 PolarHBondContact O-N 2.96Å; F304-I307 VanDerWaalsContact O-N 3.13Å; F304-E308 HydrophobicContact CD1-CB 4.05Å; F304-E308 HydrophobicContact CD1-CG 4.43Å; F304-E308 HydrophobicContact CE1-CB 3.75Å; F304-E308 HydrophobicContact CE1-CG 3.66Å; F304-E308 HydrophobicContact CZ-CB 4.2Å; F304-E308 HydrophobicContact CZ-CG 4.01Å; F304-E308 VanDerWaalsContact O-CB 3.22Å; F304-E308 WeakPolarHBondContact O-CB 3.34Å; F304-E308 PolarHBondContact O-N 3.45Å; F304-I315 HydrophobicContact CD2-CD1 4.27Å; F304-I315 HydrophobicContact CD2-CG2 3.99Å; F304-I315 HydrophobicContact CE2-CB 4.44Å; F304-I315 HydrophobicContact CE2-CD1 4.26Å; F304-I315 HydrophobicContact CE2-CG1 4.14Å; F304-I315 HydrophobicContact CE2-CG2 3.65Å; F304-I315 HydrophobicContact CZ-CG2 4Å; F304-F354 HydrophobicContact CB-CD1 3.99Å; F304-F354 HydrophobicContact CB-CE1 4.17Å; F304-F354 HydrophobicContact CD2-CB 3.8Å; F304-F354 HydrophobicContact CD2-CD1 4.1Å; F304-F354 HydrophobicContact CD2-CD2 4.41Å; F304-F354 AromaticContact CD2-CG 3.83Å; F304-F354 HydrophobicContact CD2-CG 3.83Å; F304-F354 HydrophobicContact CE2-CB 4.24Å
305K95.7Very high93.9Very high2 Ų221.5 Ų21.51%0.00911%0.112CC..Hα-helixtrans-68.2-18.3176.5-66.7-60.8-65177.80113.6T27 R247 W301 T302 F303 I307 E308 N311T27-K305 WeakPolarHBondContact O-CE 3.3Å; T27-K305 PolarHBondContact O-NZ 2.76Å; R247-K305 PolarHBondContact NE-O 3.37Å; R247-K305 PolarHBondContact NH2-O 3.26Å; W301-K305 HydrophobicContact CD2-CG 3.98Å; W301-K305 HydrophobicContact CE3-CG 4.4Å; W301-K305 HydrophobicContact CH2-CD 3.63Å; W301-K305 HydrophobicContact CH2-CG 4Å; W301-K305 HydrophobicContact CZ2-CD 3.47Å; W301-K305 VanDerWaalsContact CZ2-CD 3.47Å; W301-K305 HydrophobicContact CZ2-CG 3.51Å; W301-K305 HydrophobicContact CZ3-CD 4.3Å; W301-K305 HydrophobicContact CZ3-CG 4.42Å; W301-K305 WeakPolarHBondContact O-CB 3.43Å; W301-K305 WeakPolarHBondContact O-CG 3.48Å; W301-K305 PolarHBondContact O-N 3.18Å; T302-K305 CarbonylContact O-C 3.41Å; T302-K305 PolarHBondContact O-N 3.47Å; F303-K305 VanDerWaalsContact C-N 3.29Å; F303-K305 PolarHBondContact O-N 2.8Å; K305-I307 VanDerWaalsContact C-N 3.29Å; K305-E308 WeakPolarHBondContact CD-OE2 3.4Å; K305-E308 WeakPolarHBondContact CE-OE2 3.05Å; K305-E308 IonicContact NZ-OE2 2.6Å; K305-E308 PolarHBondContact NZ-OE2 2.93Å; K305-N311 PolarHBondContact NZ-OD1 3.06Å
306A96.4Very high94.1Very high1 Ų121.3 Ų21.31%0.00812%0.117CC..Hα-helixtrans-73.3-21.9172.500000113.2L237 T241 L243 V251 T302 F303 F304L237-A306 HydrophobicContact CD1-CB 4.15Å; T241-A306 PolarHBondContact OG1-O 2.77Å; T241-A306 VanDerWaalsContact OG1-O 3.08Å; L243-A306 HydrophobicContact CD1-CB 4.24Å; L243-A306 WeakPolarHBondContact CD2-O 3.36Å; V251-A306 HydrophobicContact CG2-CB 3.63Å; T302-A306 PolarHBondContact O-N 2.87Å; F303-A306 WeakPolarHBondContact O-CB 3.44Å; F303-A306 PolarHBondContact O-N 3.08Å; F304-A306 PolarHBondContact O-N 3.31Å
307I96.3Very high94.1Very high1 Ų125.2 Ų25.21%0.00514%0.135CC..Hα-helixtrans-116.5-17.1-177.557.3160.3000114.4L237 T241 F303 F304 K305 I309 I315 S319 L323L237-I307 HydrophobicContact CD2-CG2 4.1Å; T241-I307 HydrophobicContact CG2-CG2 4.24Å; F303-I307 WeakPolarHBondContact O-CG1 3.15Å; F303-I307 PolarHBondContact O-N 3.35Å; F304-I307 WeakPolarHBondContact O-CG1 3.26Å; F304-I307 PolarHBondContact O-N 2.96Å; F304-I307 VanDerWaalsContact O-N 3.13Å; K305-I307 VanDerWaalsContact C-N 3.29Å; I307-I309 PolarHBondContact O-N 2.93Å; I307-I315 HydrophobicContact CD1-CB 4.07Å; I307-I315 HydrophobicContact CD1-CD1 3.54Å; I307-I315 HydrophobicContact CD1-CG1 4.36Å; I307-I315 HydrophobicContact CD1-CG2 3.76Å; I307-I315 HydrophobicContact CG1-CG2 3.78Å; I307-S319 WeakPolarHBondContact O-CB 3.49Å; I307-L323 HydrophobicContact CD1-CB 3.93Å; I307-L323 HydrophobicContact CD1-CD2 3.8Å; I307-L323 HydrophobicContact CD1-CG 4.49Å; I307-L323 HydrophobicContact CG2-CB 3.94Å
308E95Very high94.2Very high1 Ų127.9 Ų27.91%0.00516%0.159CC..  trans-82.962.7174.1-171.9-103.5178.200111.1R24 R247 F304 K305 D310 N311 S312 G313 Y314 I315R24-E308 IonicContact NH1-OE1 3.04Å; R247-E308 PolarHBondContact NH2-O 2.88Å; R247-E308 IonicContact NH2-OE2 3.15Å; F304-E308 HydrophobicContact CD1-CB 4.05Å; F304-E308 HydrophobicContact CD1-CG 4.43Å; F304-E308 HydrophobicContact CE1-CB 3.75Å; F304-E308 HydrophobicContact CE1-CG 3.66Å; F304-E308 HydrophobicContact CZ-CB 4.2Å; F304-E308 HydrophobicContact CZ-CG 4.01Å; F304-E308 VanDerWaalsContact O-CB 3.22Å; F304-E308 WeakPolarHBondContact O-CB 3.34Å; F304-E308 PolarHBondContact O-N 3.45Å; K305-E308 WeakPolarHBondContact CD-OE2 3.4Å; K305-E308 WeakPolarHBondContact CE-OE2 3.05Å; K305-E308 IonicContact NZ-OE2 2.6Å; K305-E308 PolarHBondContact NZ-OE2 2.93Å; E308-D310 VanDerWaalsContact C-N 3.29Å; E308-D310 PolarHBondContact O-N 3Å; E308-N311 PolarHBondContact O-N 3.26Å; E308-N311 WeakPolarHBondContact OE1-CA 3.44Å; E308-N311 PolarHBondContact OE1-N 2.89Å; E308-S312 PolarHBondContact OE1-N 3.13Å; E308-G313 WeakPolarHBondContact OE1-CA 3.29Å; E308-G313 PolarHBondContact OE1-N 2.94Å; E308-Y314 WeakPolarHBondContact CG-O 3.41Å; E308-I315 HydrophobicContact CB-CG2 3.65Å; E308-I315 HydrophobicContact CG-CG2 4.25Å
309I90.1Very high94.2Very high92 Ų9227.8 Ų27.847%0.47216%0.161SC..THydrogen-bonded Turntrans-62-31.1-166.857.5175.1000114.7T241 L243 R247 I307 N311T241-I309 HydrophobicContact CG2-CG2 4.43Å; L243-I309 HydrophobicContact CD2-CG2 4.38Å; R247-I309 PolarHBondContact NH1-O 3.49Å; I307-I309 PolarHBondContact O-N 2.93Å; I309-N311 PolarHBondContact O-N 3.17Å
310D89.2Confident94.3Very high110 Ų11027.5 Ų27.559%0.58816%0.16SC*.THydrogen-bonded Turntrans-88.6-0.3-171.366.6-6.5000114.3E308 S312E308-D310 VanDerWaalsContact C-N 3.29Å; E308-D310 PolarHBondContact O-N 3Å; D310-S312 VanDerWaalsContact CG-CB 3.49Å; D310-S312 PolarHBondContact O-N 3.18Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3.37Å; D310-S312 PolarHBondContact OD1-OG 3.07Å; D310-S312 WeakPolarHBondContact OD2-CB 3.45Å; D310-S312 PolarHBondContact OD2-OG 3.15Å
311N88.4Confident94.3Very high31 Ų3131.6 Ų31.617%0.16618%0.175CC..  trans56.827.3-174.1-158.943.8000113R24 K305 E308 I309 G313R24-N311 PolarHBondContact NH1-O 2.96Å; R24-N311 PolarHBondContact NH1-OD1 2.97Å; R24-N311 PolarHBondContact NH2-ND2 3.11Å; R24-N311 VanDerWaalsContact NH2-ND2 3.18Å; R24-N311 PolarHBondContact NH2-O 3.2Å; K305-N311 PolarHBondContact NZ-OD1 3.06Å; E308-N311 PolarHBondContact O-N 3.26Å; E308-N311 WeakPolarHBondContact OE1-CA 3.44Å; E308-N311 PolarHBondContact OE1-N 2.89Å; I309-N311 PolarHBondContact O-N 3.17Å; N311-G313 VanDerWaalsContact C-N 3.31Å; N311-G313 PolarHBondContact O-N 2.77Å
312S89.6Confident94.4Very high27 Ų2733.1 Ų33.119%0.18918%0.183CC..SBendtrans-72.4-16.1178.7620000115.5I142 E308 D310 Y314I142-S312 WeakPolarHBondContact CD1-O 3.45Å; E308-S312 PolarHBondContact OE1-N 3.13Å; D310-S312 VanDerWaalsContact CG-CB 3.49Å; D310-S312 PolarHBondContact O-N 3.18Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3.37Å; D310-S312 PolarHBondContact OD1-OG 3.07Å; D310-S312 WeakPolarHBondContact OD2-CB 3.45Å; D310-S312 PolarHBondContact OD2-OG 3.15Å; S312-Y314 VanDerWaalsContact O-CD2 3.29Å; S312-Y314 WeakPolarHBondContact O-CD2 3.27Å; S312-Y314 PolarHBondContact OG-N 3.38Å; S312-Y314 PolarHBondContact OG-O 2.9Å
313G89.5Confident94.4Very high9 Ų932.7 Ų32.79%0.09318%0.181CC..SBendtrans883.5-168.200000114E308 N311E308-G313 WeakPolarHBondContact OE1-CA 3.29Å; E308-G313 PolarHBondContact OE1-N 2.94Å; N311-G313 VanDerWaalsContact C-N 3.31Å; N311-G313 PolarHBondContact O-N 2.77Å
314Y93.4Very high94.4Very high36 Ų3631.7 Ų31.714%0.14118%0.176CC..EExtended strand (participates in β ladder)trans-138.4150-173-59-88.5000112.7I142 E308 S312 K348 I349I142-Y314 HydrophobicContact CD1-CE2 4.22Å; E308-Y314 WeakPolarHBondContact CG-O 3.41Å; S312-Y314 VanDerWaalsContact O-CD2 3.29Å; S312-Y314 WeakPolarHBondContact O-CD2 3.27Å; S312-Y314 PolarHBondContact OG-N 3.38Å; S312-Y314 PolarHBondContact OG-O 2.9Å; Y314-K348 HydrophobicContact CD1-CD 3.54Å; Y314-K348 VanDerWaalsContact CD1-CE 3.42Å; Y314-K348 HydrophobicContact CD1-CG 3.81Å; Y314-K348 HydrophobicContact CD2-CD 4.17Å; Y314-K348 VanDerWaalsContact CD2-NZ 3.29Å; Y314-K348 HydrophobicContact CE1-CD 4.16Å; Y314-K348 VanDerWaalsContact CE1-CE 3.5Å; Y314-K348 HydrophobicContact CG-CD 3.55Å; Y314-K348 HydrophobicContact CG-CG 4.2Å; Y314-I349 CarbonylContact C-O 3.49Å; Y314-I349 VanDerWaalsContact CA-O 3.32Å; Y314-I349 WeakPolarHBondContact CA-O 3.12Å
315I95.5Very high94.3Very high1 Ų134.2 Ų34.21%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-111133.4171.462.3178.8000110.1F304 I307 E308 Y320 K348 I349 F354F304-I315 HydrophobicContact CD2-CD1 4.27Å; F304-I315 HydrophobicContact CD2-CG2 3.99Å; F304-I315 HydrophobicContact CE2-CB 4.44Å; F304-I315 HydrophobicContact CE2-CD1 4.26Å; F304-I315 HydrophobicContact CE2-CG1 4.14Å; F304-I315 HydrophobicContact CE2-CG2 3.65Å; F304-I315 HydrophobicContact CZ-CG2 4Å; I307-I315 HydrophobicContact CD1-CB 4.07Å; I307-I315 HydrophobicContact CD1-CD1 3.54Å; I307-I315 HydrophobicContact CD1-CG1 4.36Å; I307-I315 HydrophobicContact CD1-CG2 3.76Å; I307-I315 HydrophobicContact CG1-CG2 3.78Å; E308-I315 HydrophobicContact CB-CG2 3.65Å; E308-I315 HydrophobicContact CG-CG2 4.25Å; I315-Y320 HydrophobicContact CD1-CD2 3.91Å; I315-K348 WeakPolarHBondContact O-CA 3.36Å; I315-I349 HydrophobicContact CD1-CB 3.96Å; I315-I349 HydrophobicContact CD1-CD1 4.18Å; I315-I349 HydrophobicContact CD1-CG2 4.03Å; I315-I349 HydrophobicContact CG1-CB 3.56Å; I315-I349 HydrophobicContact CG1-CD1 4.36Å; I315-I349 HydrophobicContact CG1-CG1 4.49Å; I315-I349 HydrophobicContact CG1-CG2 4.07Å; I315-I349 PolarHBondContact N-O 3.27Å; I315-I349 PolarHBondContact O-N 3.29Å; I315-F354 HydrophobicContact CD1-CD2 3.93Å
316S95.9Very high94.3Very high52 Ų5234.1 Ų34.136%0.36419%0.188SC..EExtended strand (participates in β ladder)trans-75.8164.417374.80000111.3A318 S319 Y320S316-A318 PolarHBondContact O-N 3.37Å; S316-A318 PolarHBondContact OG-N 3.16Å; S316-S319 PolarHBondContact O-N 2.81Å; S316-S319 VanDerWaalsContact O-N 3.16Å; S316-S319 PolarHBondContact OG-N 3.37Å; S316-S319 VanDerWaalsContact OG-N 3.09Å; S316-S319 PolarHBondContact OG-OG 3.49Å; S316-Y320 WeakPolarHBondContact O-CB 3.39Å; S316-Y320 PolarHBondContact O-N 2.86Å
317Q96.1Very high94.2Very high84 Ų8434.3 Ų34.339%0.39319%0.188SC..Hα-helixtrans-57-38172-169-178.319.800112.7Y320 R321 F338Q317-Y320 PolarHBondContact O-N 3.42Å; Q317-R321 WeakPolarHBondContact O-CB 3.38Å; Q317-R321 PolarHBondContact O-N 3.19Å; Q317-F338 HydrophobicContact CB-CD1 4.33Å; Q317-F338 HydrophobicContact CB-CD2 4Å; Q317-F338 HydrophobicContact CB-CE1 4.09Å; Q317-F338 HydrophobicContact CB-CE2 3.75Å; Q317-F338 HydrophobicContact CB-CG 4.29Å; Q317-F338 HydrophobicContact CB-CZ 3.79Å; Q317-F338 HydrophobicContact CG-CD1 4.11Å; Q317-F338 HydrophobicContact CG-CD2 3.99Å; Q317-F338 HydrophobicContact CG-CE1 4.37Å; Q317-F338 HydrophobicContact CG-CE2 4.27Å; Q317-F338 HydrophobicContact CG-CG 3.92Å; Q317-F338 HydrophobicContact CG-CZ 4.44Å
318A95.2Very high94Very high71 Ų7138.7 Ų38.759%0.58721%0.208SC*.Hα-helixtrans-65-44176.800000111.6S316 R321 I322S316-A318 PolarHBondContact O-N 3.37Å; S316-A318 PolarHBondContact OG-N 3.16Å; A318-R321 PolarHBondContact O-N 3.36Å; A318-I322 PolarHBondContact O-N 3.2Å
319S95.8Very high94Very high22 Ų2239 Ų3915%0.15421%0.21CC..Hα-helixtrans-64.1-43.8176.1-56.40000111.9I307 S316 R321 I322 L323I307-S319 WeakPolarHBondContact O-CB 3.49Å; S316-S319 PolarHBondContact O-N 2.81Å; S316-S319 VanDerWaalsContact O-N 3.16Å; S316-S319 PolarHBondContact OG-N 3.37Å; S316-S319 VanDerWaalsContact OG-N 3.09Å; S316-S319 PolarHBondContact OG-OG 3.49Å; S319-R321 VanDerWaalsContact C-N 3.3Å; S319-R321 PolarHBondContact O-N 3.27Å; S319-I322 WeakPolarHBondContact O-CB 3.45Å; S319-I322 PolarHBondContact O-N 2.92Å; S319-L323 PolarHBondContact O-N 3.28Å
320Y97.1Very high94.1Very high2 Ų236 Ų361%0.00820%0.203CC..Hα-helixtrans-62.6-38.2176.7-179.3-107.3000112.1I315 S316 Q317 I322 L323 Q324 A334 M337 F338 L341 I349 F354I315-Y320 HydrophobicContact CD1-CD2 3.91Å; S316-Y320 WeakPolarHBondContact O-CB 3.39Å; S316-Y320 PolarHBondContact O-N 2.86Å; Q317-Y320 PolarHBondContact O-N 3.42Å; Y320-I322 VanDerWaalsContact C-N 3.29Å; Y320-I322 PolarHBondContact O-N 3.27Å; Y320-L323 WeakPolarHBondContact O-CB 3.36Å; Y320-L323 PolarHBondContact O-N 3.15Å; Y320-L323 VanDerWaalsContact O-N 3.14Å; Y320-Q324 HydrophobicContact CD1-CG 4Å; Y320-Q324 HydrophobicContact CE1-CG 3.53Å; Y320-Q324 HydrophobicContact CE2-CG 4.11Å; Y320-Q324 HydrophobicContact CG-CG 4.5Å; Y320-Q324 VanDerWaalsContact CZ-NE2 3.28Å; Y320-Q324 WeakPolarHBondContact O-CG 3.43Å; Y320-Q324 PolarHBondContact O-N 2.74Å; Y320-Q324 PolarHBondContact OH-NE2 3.37Å; Y320-A334 WeakPolarHBondContact CE1-O 3.47Å; Y320-M337 HydrophobicContact CE1-CB 4.37Å; Y320-M337 WeakPolarHBondContact OH-CG 3.3Å; Y320-F338 HydrophobicContact CD1-CB 3.92Å; Y320-F338 AromaticContact CD1-CD2 3.8Å; Y320-F338 HydrophobicContact CD1-CD2 3.8Å; Y320-F338 HydrophobicContact CD1-CG 4.37Å; Y320-F338 HydrophobicContact CE1-CB 4.09Å; Y320-F338 AromaticContact CG-CD2 3.98Å; Y320-F338 HydrophobicContact CG-CD2 3.98Å; Y320-L341 HydrophobicContact CD2-CD1 4.19Å; Y320-L341 HydrophobicContact CE1-CD1 4.15Å; Y320-L341 HydrophobicContact CE2-CD1 3.36Å; Y320-L341 VanDerWaalsContact OH-CD1 3.27Å; Y320-L341 WeakPolarHBondContact OH-CD1 3.35Å; Y320-I349 HydrophobicContact CD2-CD1 4.08Å; Y320-I349 HydrophobicContact CE2-CD1 4.49Å; Y320-I349 HydrophobicContact CG-CD1 4.11Å; Y320-F354 HydrophobicContact CE2-CE2 4.34Å
321R96.2Very high94.3Very high86 Ų8637.4 Ų37.433%0.32520%0.2SC..Hα-helixtrans-60.7-37.2174.8-178.6176.3165.7-170.9-8.3112.3Q317 A318 S319 L323 Q324 E325Q317-R321 WeakPolarHBondContact O-CB 3.38Å; Q317-R321 PolarHBondContact O-N 3.19Å; A318-R321 PolarHBondContact O-N 3.36Å; S319-R321 VanDerWaalsContact C-N 3.3Å; S319-R321 PolarHBondContact O-N 3.27Å; R321-L323 VanDerWaalsContact C-N 3.3Å; R321-L323 PolarHBondContact O-N 2.9Å; R321-Q324 PolarHBondContact O-N 2.83Å; R321-E325 HydrophobicContact CG-CG 4.23Å; R321-E325 IonicContact CZ-OE1 3.64Å; R321-E325 VanDerWaalsContact CZ-OE1 3.25Å; R321-E325 IonicContact NE-OE1 2.96Å; R321-E325 PolarHBondContact NE-OE1 3.32Å; R321-E325 IonicContact NH2-OE1 3.09Å; R321-E325 PolarHBondContact NH2-OE1 3.4Å; R321-E325 WeakPolarHBondContact O-CB 3.42Å; R321-E325 VanDerWaalsContact O-CG 3.3Å; R321-E325 WeakPolarHBondContact O-CG 3.28Å; R321-E325 PolarHBondContact O-N 3.27Å
322I96.8Very high94.7Very high36 Ų3642 Ų4219%0.18523%0.225CC..Hα-helixtrans-60.3-42.7175.2-65.2168.4000110.7F236 L237 R240 T241 A318 S319 Y320 E325 A326F236-I322 HydrophobicContact CE1-CG2 4.28Å; L237-I322 HydrophobicContact CD2-CG2 4.23Å; R240-I322 HydrophobicContact CB-CG2 3.56Å; R240-I322 HydrophobicContact CG-CG2 4.28Å; T241-I322 HydrophobicContact CG2-CD1 4.08Å; T241-I322 HydrophobicContact CG2-CG2 3.96Å; A318-I322 PolarHBondContact O-N 3.2Å; S319-I322 WeakPolarHBondContact O-CB 3.45Å; S319-I322 PolarHBondContact O-N 2.92Å; Y320-I322 VanDerWaalsContact C-N 3.29Å; Y320-I322 PolarHBondContact O-N 3.27Å; I322-E325 PolarHBondContact O-N 2.66Å; I322-A326 PolarHBondContact O-N 3.08Å
323L96.7Very high94.9Very high0 Ų043.5 Ų43.50%023%0.228CC..Hα-helixtrans-63.5-46.4177.2-18064.9000112.2L237 F303 I307 S319 Y320 R321 A326 W327 F354L237-L323 HydrophobicContact CD1-CD1 4.25Å; L237-L323 HydrophobicContact CD2-CD1 4.05Å; F303-L323 HydrophobicContact CB-CD1 4.18Å; F303-L323 HydrophobicContact CD1-CD1 3.82Å; F303-L323 HydrophobicContact CG-CD1 4.28Å; I307-L323 HydrophobicContact CD1-CB 3.93Å; I307-L323 HydrophobicContact CD1-CD2 3.8Å; I307-L323 HydrophobicContact CD1-CG 4.49Å; I307-L323 HydrophobicContact CG2-CB 3.94Å; S319-L323 PolarHBondContact O-N 3.28Å; Y320-L323 WeakPolarHBondContact O-CB 3.36Å; Y320-L323 PolarHBondContact O-N 3.15Å; Y320-L323 VanDerWaalsContact O-N 3.14Å; R321-L323 VanDerWaalsContact C-N 3.3Å; R321-L323 PolarHBondContact O-N 2.9Å; L323-A326 WeakPolarHBondContact O-CB 3.22Å; L323-A326 PolarHBondContact O-N 3.46Å; L323-W327 HydrophobicContact CD1-CD2 4.39Å; L323-W327 HydrophobicContact CD1-CE3 4.44Å; L323-W327 HydrophobicContact CD1-CH2 3.6Å; L323-W327 HydrophobicContact CD1-CZ2 3.54Å; L323-W327 HydrophobicContact CD1-CZ3 4.06Å; L323-W327 HydrophobicContact CD2-CH2 3.58Å; L323-W327 HydrophobicContact CD2-CZ2 4.38Å; L323-W327 HydrophobicContact CD2-CZ3 3.75Å; L323-W327 HydrophobicContact CG-CD2 4.44Å; L323-W327 HydrophobicContact CG-CE3 4.04Å; L323-W327 HydrophobicContact CG-CH2 3.56Å; L323-W327 HydrophobicContact CG-CZ2 4.01Å; L323-W327 HydrophobicContact CG-CZ3 3.56Å; L323-W327 PolarHBondContact O-N 2.94Å; L323-F354 HydrophobicContact CD2-CE2 3.52Å; L323-F354 HydrophobicContact CD2-CZ 3.69Å
324Q96.6Very high95.2Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-65.8-38.2179-68-61.6-37.400112.1Y320 R321 A326 W327 H328 V329 A334 F374Y320-Q324 HydrophobicContact CD1-CG 4Å; Y320-Q324 HydrophobicContact CE1-CG 3.53Å; Y320-Q324 HydrophobicContact CE2-CG 4.11Å; Y320-Q324 HydrophobicContact CG-CG 4.5Å; Y320-Q324 VanDerWaalsContact CZ-NE2 3.28Å; Y320-Q324 WeakPolarHBondContact O-CG 3.43Å; Y320-Q324 PolarHBondContact O-N 2.74Å; Y320-Q324 PolarHBondContact OH-NE2 3.37Å; R321-Q324 PolarHBondContact O-N 2.83Å; Q324-A326 VanDerWaalsContact C-N 3.32Å; Q324-A326 PolarHBondContact O-N 3.13Å; Q324-W327 CarbonylContact O-C 3.09Å; Q324-W327 PolarHBondContact O-N 3.45Å; Q324-W327 VanDerWaalsContact O-N 3.16Å; Q324-H328 PolarHBondContact O-N 3.1Å; Q324-H328 VanDerWaalsContact O-N 3.15Å; Q324-V329 HydrophobicContact CB-CB 4.1Å; Q324-V329 HydrophobicContact CB-CG1 4.49Å; Q324-V329 PolarHBondContact O-N 2.94Å; Q324-V329 VanDerWaalsContact OE1-CG1 3.31Å; Q324-V329 VanDerWaalsContact OE1-CG2 3.24Å; Q324-A334 HydrophobicContact CB-CB 3.59Å; Q324-A334 HydrophobicContact CG-CB 3.76Å; Q324-F374 PolarHBondContact OE1-O 3.36Å
325E95.9Very high95.4Very high54 Ų5444.2 Ų44.225%0.25223%0.231SC..Hα-helixtrans-62.7-37.4172.2-76.4179.8-176.900111.9F236 R321 I322 W327 H328F236-E325 HydrophobicContact CE1-CB 4.02Å; F236-E325 HydrophobicContact CZ-CB 3.97Å; R321-E325 HydrophobicContact CG-CG 4.23Å; R321-E325 IonicContact CZ-OE1 3.64Å; R321-E325 VanDerWaalsContact CZ-OE1 3.25Å; R321-E325 IonicContact NE-OE1 2.96Å; R321-E325 PolarHBondContact NE-OE1 3.32Å; R321-E325 IonicContact NH2-OE1 3.09Å; R321-E325 PolarHBondContact NH2-OE1 3.4Å; R321-E325 WeakPolarHBondContact O-CB 3.42Å; R321-E325 VanDerWaalsContact O-CG 3.3Å; R321-E325 WeakPolarHBondContact O-CG 3.28Å; R321-E325 PolarHBondContact O-N 3.27Å; I322-E325 PolarHBondContact O-N 2.66Å; E325-W327 PolarHBondContact O-N 2.86Å; E325-H328 PolarHBondContact O-N 3.44Å
326A94.9Very high95.4Very high1 Ų146.4 Ų46.41%0.00825%0.25CC..Hα-helixtrans-62.8-29175.300000112.5I233 F236 L237 I322 L323 Q324I233-A326 HydrophobicContact CG2-CB 3.99Å; F236-A326 HydrophobicContact CD1-CB 3.54Å; F236-A326 HydrophobicContact CE1-CB 4.08Å; F236-A326 HydrophobicContact CG-CB 4.33Å; L237-A326 HydrophobicContact CD2-CB 3.71Å; L237-A326 HydrophobicContact CG-CB 3.95Å; I322-A326 PolarHBondContact O-N 3.08Å; L323-A326 WeakPolarHBondContact O-CB 3.22Å; L323-A326 PolarHBondContact O-N 3.46Å; Q324-A326 VanDerWaalsContact C-N 3.32Å; Q324-A326 PolarHBondContact O-N 3.13Å
327W93.4Very high95.5Very high5 Ų544.1 Ų44.12%0.01923%0.233CC..THydrogen-bonded Turntrans-9613.5173.3-60.7-34.1000113.3R216 F303 L323 Q324 E325 V329 W358 F374 F375R216-W327 WeakPolarHBondContact CB-O 3.48Å; F303-W327 AromaticContact CD1-CZ2 3.93Å; F303-W327 HydrophobicContact CD1-CZ2 3.93Å; F303-W327 AromaticContact CD2-CZ2 3.95Å; F303-W327 HydrophobicContact CD2-CZ2 3.95Å; F303-W327 HydrophobicContact CE1-CZ2 4.02Å; F303-W327 HydrophobicContact CE2-CZ2 4.1Å; F303-W327 AromaticContact CG-CZ2 3.89Å; F303-W327 HydrophobicContact CG-CZ2 3.89Å; F303-W327 HydrophobicContact CZ-CZ2 4.12Å; L323-W327 HydrophobicContact CD1-CD2 4.39Å; L323-W327 HydrophobicContact CD1-CE3 4.44Å; L323-W327 HydrophobicContact CD1-CH2 3.6Å; L323-W327 HydrophobicContact CD1-CZ2 3.54Å; L323-W327 HydrophobicContact CD1-CZ3 4.06Å; L323-W327 HydrophobicContact CD2-CH2 3.58Å; L323-W327 HydrophobicContact CD2-CZ2 4.38Å; L323-W327 HydrophobicContact CD2-CZ3 3.75Å; L323-W327 HydrophobicContact CG-CD2 4.44Å; L323-W327 HydrophobicContact CG-CE3 4.04Å; L323-W327 HydrophobicContact CG-CH2 3.56Å; L323-W327 HydrophobicContact CG-CZ2 4.01Å; L323-W327 HydrophobicContact CG-CZ3 3.56Å; L323-W327 PolarHBondContact O-N 2.94Å; Q324-W327 CarbonylContact O-C 3.09Å; Q324-W327 PolarHBondContact O-N 3.45Å; Q324-W327 VanDerWaalsContact O-N 3.16Å; E325-W327 PolarHBondContact O-N 2.86Å; W327-V329 HydrophobicContact CB-CG2 4.21Å; W327-V329 PolarHBondContact O-N 3.42Å; W327-V329 VanDerWaalsContact O-N 3.08Å; W327-W358 HydrophobicContact CH2-CE3 4.21Å; W327-W358 HydrophobicContact CH2-CH2 4.42Å; W327-W358 AromaticContact CH2-CZ3 3.5Å; W327-W358 HydrophobicContact CH2-CZ3 3.5Å; W327-W358 VanDerWaalsContact CH2-CZ3 3.5Å; W327-W358 HydrophobicContact CZ2-CH2 4.23Å; W327-W358 AromaticContact CZ2-CZ3 3.73Å; W327-W358 HydrophobicContact CZ2-CZ3 3.73Å; W327-W358 HydrophobicContact CZ3-CZ3 4.45Å; W327-F374 HydrophobicContact CE3-CE1 4.3Å; W327-F374 AromaticContact CH2-CE1 3.64Å; W327-F374 HydrophobicContact CH2-CE1 3.64Å; W327-F374 HydrophobicContact CH2-CZ 4.2Å; W327-F374 HydrophobicContact CZ3-CD1 4.14Å; W327-F374 AromaticContact CZ3-CE1 3.3Å; W327-F374 HydrophobicContact CZ3-CE1 3.3Å; W327-F374 AromaticContact CZ3-CZ 3.98Å; W327-F374 HydrophobicContact CZ3-CZ 3.98Å; W327-F375 HydrophobicContact CB-CD1 4.17Å; W327-F375 HydrophobicContact CB-CE1 4.2Å; W327-F375 HydrophobicContact CD2-CD1 4.18Å; W327-F375 AromaticContact CD2-CE1 3.51Å; W327-F375 HydrophobicContact CD2-CE1 3.51Å; W327-F375 HydrophobicContact CD2-CZ 4.33Å; W327-F375 AromaticContact CE2-CE1 3.94Å; W327-F375 HydrophobicContact CE3-CD1 4.1Å; W327-F375 AromaticContact CE3-CE1 3.67Å; W327-F375 HydrophobicContact CE3-CE1 3.67Å; W327-F375 HydrophobicContact CE3-CZ 4.34Å; W327-F375 HydrophobicContact CG-CD1 4.25Å; W327-F375 AromaticContact CG-CE1 3.78Å; W327-F375 HydrophobicContact CG-CE1 3.78Å; W327-F375 HydrophobicContact CZ2-CE1 4.45Å; W327-F375 HydrophobicContact CZ3-CE1 4.22Å; W327-F375 HydrophobicContact CZ3-CZ 4.46Å
328H92.9Very high95.6Very high92 Ų9240.6 Ų40.643%0.42622%0.217SC..THydrogen-bonded Turntrans55.130.5179.2-60-90.1000113.8R216 I219 Q324 E325R216-H328 PolarHBondContact NH1-O 2.97Å; I219-H328 WeakPolarHBondContact CD1-NE2 3.2Å; I219-H328 VanDerWaalsContact CG1-CD2 3.47Å; I219-H328 WeakPolarHBondContact CG1-CD2 3.2Å; I219-H328 WeakPolarHBondContact CG1-NE2 3.49Å; Q324-H328 PolarHBondContact O-N 3.1Å; Q324-H328 VanDerWaalsContact O-N 3.15Å; E325-H328 PolarHBondContact O-N 3.44Å
329V94.2Very high95.7Very high7 Ų744.5 Ų44.54%0.04222%0.22CC..  trans-81.1134.2171.1177.30000108.6Q324 W327 E333Q324-V329 HydrophobicContact CB-CB 4.1Å; Q324-V329 HydrophobicContact CB-CG1 4.49Å; Q324-V329 PolarHBondContact O-N 2.94Å; Q324-V329 VanDerWaalsContact OE1-CG1 3.31Å; Q324-V329 VanDerWaalsContact OE1-CG2 3.24Å; W327-V329 HydrophobicContact CB-CG2 4.21Å; W327-V329 PolarHBondContact O-N 3.42Å; W327-V329 VanDerWaalsContact O-N 3.08Å; V329-E333 HydrophobicContact CG1-CB 3.73Å
330G92.4Very high95.7Very high31 Ų3145.9 Ų45.932%0.3223%0.226SC..  trans-64.2151.3-175.600000111.7D332 E333 A334G330-D332 PolarHBondContact O-N 3.09Å; G330-E333 PolarHBondContact N-OE2 3.2Å; G330-E333 WeakPolarHBondContact O-CB 3.45Å; G330-E333 PolarHBondContact O-N 3.48Å; G330-E333 VanDerWaalsContact O-N 3.14Å; G330-A334 PolarHBondContact O-N 3.39Å
331R94.2Very high95.8Very high138 Ų13845.8 Ų45.852%0.52123%0.225SC..Hα-helixtrans-55.7-47.8-177.7-177.9-177.7172.8-179-3.1112.7E333 A334 E335R331-E333 VanDerWaalsContact C-N 3.28Å; R331-E333 PolarHBondContact O-N 2.95Å; R331-A334 PolarHBondContact O-N 3.07Å; R331-E335 HydrophobicContact CG-CG 4.47Å; R331-E335 IonicContact CZ-OE1 3.94Å; R331-E335 IonicContact NE-OE1 3.87Å; R331-E335 PolarHBondContact NE-OE1 3.16Å; R331-E335 IonicContact NH2-OE1 2.8Å; R331-E335 PolarHBondContact NH2-OE1 3.25Å; R331-E335 VanDerWaalsContact NH2-OE1 3.16Å; R331-E335 WeakPolarHBondContact O-CG 3.23Å; R331-E335 PolarHBondContact O-N 2.86Å
332D95.6Very high95.8Very high129 Ų12942.5 Ų42.569%0.6921%0.214SC*.Hα-helixtrans-66.1-34.6-178.3-61.7-19000111.5G330 A336G330-D332 PolarHBondContact O-N 3.09Å; D332-A336 WeakPolarHBondContact O-CB 3.25Å; D332-A336 PolarHBondContact O-N 2.69Å
333E94.8Very high95.8Very high57 Ų5744.6 Ų44.627%0.26623%0.229SC..Hα-helixtrans-66.5-45.2175.4-57.1171.9148.900110.5R216 V329 G330 R331 A336 M337 P377R216-E333 IonicContact CZ-OE2 3.96Å; R216-E333 IonicContact NH1-OE2 3.78Å; R216-E333 IonicContact NH2-OE1 2.79Å; R216-E333 PolarHBondContact NH2-OE1 2.78Å; R216-E333 IonicContact NH2-OE2 3.78Å; R216-E333 PolarHBondContact NH2-OE2 3.43Å; V329-E333 HydrophobicContact CG1-CB 3.73Å; G330-E333 PolarHBondContact N-OE2 3.2Å; G330-E333 WeakPolarHBondContact O-CB 3.45Å; G330-E333 PolarHBondContact O-N 3.48Å; G330-E333 VanDerWaalsContact O-N 3.14Å; R331-E333 VanDerWaalsContact C-N 3.28Å; R331-E333 PolarHBondContact O-N 2.95Å; E333-A336 PolarHBondContact O-N 2.73Å; E333-M337 WeakPolarHBondContact O-CB 3.36Å; E333-M337 PolarHBondContact O-N 3.32Å; E333-P377 VanDerWaalsContact CD-CD 3.49Å; E333-P377 WeakPolarHBondContact OE1-CD 3.38Å
334A95.8Very high95.7Very high3 Ų349 Ų493%0.02525%0.252CS..Hα-helixtrans-62.7-43.3175.900000112.1Y320 Q324 G330 R331 A336 M337 F338Y320-A334 WeakPolarHBondContact CE1-O 3.47Å; Q324-A334 HydrophobicContact CB-CB 3.59Å; Q324-A334 HydrophobicContact CG-CB 3.76Å; G330-A334 PolarHBondContact O-N 3.39Å; R331-A334 PolarHBondContact O-N 3.07Å; A334-A336 VanDerWaalsContact C-N 3.35Å; A334-M337 PolarHBondContact O-N 3.46Å; A334-F338 WeakPolarHBondContact O-CB 3.3Å; A334-F338 PolarHBondContact O-N 2.99Å
335E96.5Very high95.7Very high57 Ų5757.5 Ų57.527%0.26629%0.289SS..Hα-helixtrans-66.6-35.7177.5-71.5-176.5-167.400112.2R331R331-E335 HydrophobicContact CG-CG 4.47Å; R331-E335 IonicContact CZ-OE1 3.94Å; R331-E335 IonicContact NE-OE1 3.87Å; R331-E335 PolarHBondContact NE-OE1 3.16Å; R331-E335 IonicContact NH2-OE1 2.8Å; R331-E335 PolarHBondContact NH2-OE1 3.25Å; R331-E335 VanDerWaalsContact NH2-OE1 3.16Å; R331-E335 WeakPolarHBondContact O-CG 3.23Å; R331-E335 PolarHBondContact O-N 2.86Å
336A96.3Very high95.7Very high48 Ų4858.1 Ų58.140%0.39729%0.294SS..Hα-helixtrans-68.1-44.1172.900000111.8D332 E333 A334 F338 K339 I340D332-A336 WeakPolarHBondContact O-CB 3.25Å; D332-A336 PolarHBondContact O-N 2.69Å; E333-A336 PolarHBondContact O-N 2.73Å; A334-A336 VanDerWaalsContact C-N 3.35Å; A336-F338 PolarHBondContact O-N 3.35Å; A336-K339 PolarHBondContact O-N 3.27Å; A336-I340 PolarHBondContact O-N 2.88Å
337M97.5Very high95.7Very high4 Ų460.3 Ų60.32%0.0232%0.317CS..Hα-helixtrans-66-37.8179.3-165.364-128.600111.8Y320 E333 A334 K339 I340 L341 Y371 M373Y320-M337 HydrophobicContact CE1-CB 4.37Å; Y320-M337 WeakPolarHBondContact OH-CG 3.3Å; E333-M337 WeakPolarHBondContact O-CB 3.36Å; E333-M337 PolarHBondContact O-N 3.32Å; A334-M337 PolarHBondContact O-N 3.46Å; M337-K339 VanDerWaalsContact C-N 3.3Å; M337-K339 PolarHBondContact O-N 2.81Å; M337-I340 HydrophobicContact CE-CB 3.77Å; M337-I340 HydrophobicContact CE-CG2 3.45Å; M337-I340 VanDerWaalsContact CE-CG2 3.45Å; M337-I340 WeakPolarHBondContact O-CA 3.29Å; M337-I340 WeakPolarHBondContact O-CB 3.23Å; M337-I340 PolarHBondContact O-N 3.13Å; M337-I340 HydrophobicContact SD-CB 4.48Å; M337-I340 HydrophobicContact SD-CD1 4.29Å; M337-L341 HydrophobicContact CE-CD2 3.9Å; M337-L341 HydrophobicContact CE-CG 3.86Å; M337-L341 HydrophobicContact CG-CD1 4.31Å; M337-L341 HydrophobicContact CG-CG 4.44Å; M337-L341 WeakPolarHBondContact O-CG 3.39Å; M337-L341 PolarHBondContact O-N 3.35Å; M337-Y371 HydrophobicContact CE-CD1 3.82Å; M337-M373 HydrophobicContact SD-CB 4.23Å
338F98Very high95.8Very high9 Ų962.8 Ų62.84%0.03933%0.328CS..Hα-helixtrans-55.2-45174.5-175.8-85.6000112Q317 Y320 A334 A336 I340 L341 D342 I349Q317-F338 HydrophobicContact CB-CD1 4.33Å; Q317-F338 HydrophobicContact CB-CD2 4Å; Q317-F338 HydrophobicContact CB-CE1 4.09Å; Q317-F338 HydrophobicContact CB-CE2 3.75Å; Q317-F338 HydrophobicContact CB-CG 4.29Å; Q317-F338 HydrophobicContact CB-CZ 3.79Å; Q317-F338 HydrophobicContact CG-CD1 4.11Å; Q317-F338 HydrophobicContact CG-CD2 3.99Å; Q317-F338 HydrophobicContact CG-CE1 4.37Å; Q317-F338 HydrophobicContact CG-CE2 4.27Å; Q317-F338 HydrophobicContact CG-CG 3.92Å; Q317-F338 HydrophobicContact CG-CZ 4.44Å; Y320-F338 HydrophobicContact CD1-CB 3.92Å; Y320-F338 AromaticContact CD1-CD2 3.8Å; Y320-F338 HydrophobicContact CD1-CD2 3.8Å; Y320-F338 HydrophobicContact CD1-CG 4.37Å; Y320-F338 HydrophobicContact CE1-CB 4.09Å; Y320-F338 AromaticContact CG-CD2 3.98Å; Y320-F338 HydrophobicContact CG-CD2 3.98Å; A334-F338 WeakPolarHBondContact O-CB 3.3Å; A334-F338 PolarHBondContact O-N 2.99Å; A336-F338 PolarHBondContact O-N 3.35Å; F338-I340 PolarHBondContact O-N 3.01Å; F338-L341 PolarHBondContact O-N 2.78Å; F338-D342 HydrophobicContact CE1-CB 4.25Å; F338-D342 WeakPolarHBondContact O-CB 3.48Å; F338-D342 PolarHBondContact O-N 3.07Å; F338-I349 HydrophobicContact CD2-CD1 3.23Å; F338-I349 HydrophobicContact CD2-CG1 3.98Å; F338-I349 HydrophobicContact CE2-CD1 3.37Å; F338-I349 HydrophobicContact CE2-CG1 3.65Å; F338-I349 HydrophobicContact CG-CD1 4.04Å; F338-I349 HydrophobicContact CZ-CD1 4.26Å; F338-I349 HydrophobicContact CZ-CG1 4.1Å
339K97.5Very high96Very high153 Ų15358.4 Ų58.467%0.66531%0.308SS*.Hα-helixtrans-67-22.8178-66172.6-175.1170.80113.7A336 M337A336-K339 PolarHBondContact O-N 3.27Å; M337-K339 VanDerWaalsContact C-N 3.3Å; M337-K339 PolarHBondContact O-N 2.81Å
340I97.6Very high96Very high52 Ų5258.6 Ų58.627%0.26731%0.309SS..Hα-helixtrans-80.9-37174.7-68.1167.9000110A336 M337 F338 P370 Y371A336-I340 PolarHBondContact O-N 2.88Å; M337-I340 HydrophobicContact CE-CB 3.77Å; M337-I340 HydrophobicContact CE-CG2 3.45Å; M337-I340 VanDerWaalsContact CE-CG2 3.45Å; M337-I340 WeakPolarHBondContact O-CA 3.29Å; M337-I340 WeakPolarHBondContact O-CB 3.23Å; M337-I340 PolarHBondContact O-N 3.13Å; M337-I340 HydrophobicContact SD-CB 4.48Å; M337-I340 HydrophobicContact SD-CD1 4.29Å; F338-I340 PolarHBondContact O-N 3.01Å; I340-P370 HydrophobicContact CD1-CB 4.33Å; I340-P370 HydrophobicContact CG2-CB 3.71Å; I340-P370 HydrophobicContact CG2-CG 3.93Å; I340-Y371 HydrophobicContact CG2-CD1 3.98Å; I340-Y371 HydrophobicContact CG2-CE1 3.9Å
341L97.7Very high96Very high0 Ų058.1 Ų58.10%030%0.301CS..Hα-helixtrans-72-41178.7-68.5173000112.8Y320 M337 F338 T343 I349 E353 A357 Y371 F374Y320-L341 HydrophobicContact CD2-CD1 4.19Å; Y320-L341 HydrophobicContact CE1-CD1 4.15Å; Y320-L341 HydrophobicContact CE2-CD1 3.36Å; Y320-L341 VanDerWaalsContact OH-CD1 3.27Å; Y320-L341 WeakPolarHBondContact OH-CD1 3.35Å; M337-L341 HydrophobicContact CE-CD2 3.9Å; M337-L341 HydrophobicContact CE-CG 3.86Å; M337-L341 HydrophobicContact CG-CD1 4.31Å; M337-L341 HydrophobicContact CG-CG 4.44Å; M337-L341 WeakPolarHBondContact O-CG 3.39Å; M337-L341 PolarHBondContact O-N 3.35Å; F338-L341 PolarHBondContact O-N 2.78Å; L341-T343 VanDerWaalsContact C-N 3.27Å; L341-T343 PolarHBondContact O-N 3.47Å; L341-I349 HydrophobicContact CB-CD1 3.56Å; L341-I349 HydrophobicContact CB-CG1 3.79Å; L341-I349 HydrophobicContact CB-CG2 4.33Å; L341-I349 HydrophobicContact CD1-CD1 3.64Å; L341-I349 HydrophobicContact CG-CD1 4.23Å; L341-E353 VanDerWaalsContact O-CB 3.31Å; L341-E353 WeakPolarHBondContact O-CB 3.38Å; L341-E353 WeakPolarHBondContact O-CG 3.47Å; L341-A357 HydrophobicContact CD2-CB 3.06Å; L341-Y371 HydrophobicContact CD2-CD1 4.49Å; L341-Y371 HydrophobicContact CD2-CE1 4.45Å; L341-F374 HydrophobicContact CD1-CE2 4.47Å; L341-F374 HydrophobicContact CD2-CE2 4.41Å
342D97.4Very high96Very high17 Ų1753.4 Ų53.49%0.09129%0.286CS..  trans-73.979.8176179.59000109.9F338 K345 D346 G347 I349F338-D342 HydrophobicContact CE1-CB 4.25Å; F338-D342 WeakPolarHBondContact O-CB 3.48Å; F338-D342 PolarHBondContact O-N 3.07Å; D342-K345 WeakPolarHBondContact OD1-CA 3.43Å; D342-K345 PolarHBondContact OD1-N 3.05Å; D342-D346 PolarHBondContact OD1-N 3.01Å; D342-G347 WeakPolarHBondContact OD2-CA 3.38Å; D342-G347 PolarHBondContact OD2-N 3.21Å; D342-I349 HydrophobicContact CB-CG1 4.45Å
343T96.2Very high96.1Very high80 Ų8047.9 Ų47.949%0.49126%0.256SS..SBendtrans-76.7-32.7-171.658.40000112.5L341 E353L341-T343 VanDerWaalsContact C-N 3.27Å; L341-T343 PolarHBondContact O-N 3.47Å; T343-E353 PolarHBondContact N-OE1 2.98Å; T343-E353 PolarHBondContact OG1-OE1 2.85Å
344D95Very high96.2Very high93 Ų9345.1 Ų45.150%0.49724%0.244SC..SBendtrans-87.8-9.2175.975.95.2000113.7D346 E353D344-D346 WeakPolarHBondContact OD1-CB 3.42Å; D344-D346 VanDerWaalsContact OD1-CG 3.29Å; D344-D346 PolarHBondContact OD1-N 3.25Å; D344-D346 VanDerWaalsContact OD1-N 3.13Å; D344-E353 PolarHBondContact N-OE1 2.67Å
345K96.1Very high96.2Very high177 Ų17745 Ų4577%0.7724%0.242SC*.  trans66.933.8174.6-53.2178.3-178.3175.20113.1D342 G347D342-K345 WeakPolarHBondContact OD1-CA 3.43Å; D342-K345 PolarHBondContact OD1-N 3.05Å; K345-G347 VanDerWaalsContact C-N 3.29Å
346D95.1Very high96.2Very high68 Ų6843.9 Ų43.936%0.36424%0.24SC..SBendtrans-85.9-1.6177.684.7-6.9000113.6D342 D344 K348D342-D346 PolarHBondContact OD1-N 3.01Å; D344-D346 WeakPolarHBondContact OD1-CB 3.42Å; D344-D346 VanDerWaalsContact OD1-CG 3.29Å; D344-D346 PolarHBondContact OD1-N 3.25Å; D344-D346 VanDerWaalsContact OD1-N 3.13Å; D346-K348 WeakPolarHBondContact OD1-CG 3.36Å; D346-K348 PolarHBondContact OD1-N 3.48Å; D346-K348 VanDerWaalsContact OD1-N 3.11Å; D346-K348 VanDerWaalsContact OD1-O 3.09Å; D346-K348 WeakPolarHBondContact OD2-CE 3.37Å; D346-K348 IonicContact OD2-NZ 3.54Å
347G96.2Very high96.3Very high47 Ų4741.6 Ų41.649%0.48522%0.221SC..SBendtrans86.88.9173.700000114.4D342 K345D342-G347 WeakPolarHBondContact OD2-CA 3.38Å; D342-G347 PolarHBondContact OD2-N 3.21Å; K345-G347 VanDerWaalsContact C-N 3.29Å
348K95.6Very high96.3Very high56 Ų5641.8 Ų41.824%0.24322%0.221CC..EExtended strand (participates in β ladder)trans-140.6165.2176.353-177.9-172.5160.50108.2Y314 I315 D346Y314-K348 HydrophobicContact CD1-CD 3.54Å; Y314-K348 VanDerWaalsContact CD1-CE 3.42Å; Y314-K348 HydrophobicContact CD1-CG 3.81Å; Y314-K348 HydrophobicContact CD2-CD 4.17Å; Y314-K348 VanDerWaalsContact CD2-NZ 3.29Å; Y314-K348 HydrophobicContact CE1-CD 4.16Å; Y314-K348 VanDerWaalsContact CE1-CE 3.5Å; Y314-K348 HydrophobicContact CG-CD 3.55Å; Y314-K348 HydrophobicContact CG-CG 4.2Å; I315-K348 WeakPolarHBondContact O-CA 3.36Å; D346-K348 WeakPolarHBondContact OD1-CG 3.36Å; D346-K348 PolarHBondContact OD1-N 3.48Å; D346-K348 VanDerWaalsContact OD1-N 3.11Å; D346-K348 VanDerWaalsContact OD1-O 3.09Å; D346-K348 WeakPolarHBondContact OD2-CE 3.37Å; D346-K348 IonicContact OD2-NZ 3.54Å
349I96.5Very high96.3Very high0 Ų041.4 Ų41.40%022%0.219CC..EExtended strand (participates in β ladder)trans-112.1123.9178.2-63.9161000107.8Y314 I315 Y320 F338 L341 D342 E353 F354Y314-I349 CarbonylContact C-O 3.49Å; Y314-I349 VanDerWaalsContact CA-O 3.32Å; Y314-I349 WeakPolarHBondContact CA-O 3.12Å; I315-I349 HydrophobicContact CD1-CB 3.96Å; I315-I349 HydrophobicContact CD1-CD1 4.18Å; I315-I349 HydrophobicContact CD1-CG2 4.03Å; I315-I349 HydrophobicContact CG1-CB 3.56Å; I315-I349 HydrophobicContact CG1-CD1 4.36Å; I315-I349 HydrophobicContact CG1-CG1 4.49Å; I315-I349 HydrophobicContact CG1-CG2 4.07Å; I315-I349 PolarHBondContact N-O 3.27Å; I315-I349 PolarHBondContact O-N 3.29Å; Y320-I349 HydrophobicContact CD2-CD1 4.08Å; Y320-I349 HydrophobicContact CE2-CD1 4.49Å; Y320-I349 HydrophobicContact CG-CD1 4.11Å; F338-I349 HydrophobicContact CD2-CD1 3.23Å; F338-I349 HydrophobicContact CD2-CG1 3.98Å; F338-I349 HydrophobicContact CE2-CD1 3.37Å; F338-I349 HydrophobicContact CE2-CG1 3.65Å; F338-I349 HydrophobicContact CG-CD1 4.04Å; F338-I349 HydrophobicContact CZ-CD1 4.26Å; F338-I349 HydrophobicContact CZ-CG1 4.1Å; L341-I349 HydrophobicContact CB-CD1 3.56Å; L341-I349 HydrophobicContact CB-CG1 3.79Å; L341-I349 HydrophobicContact CB-CG2 4.33Å; L341-I349 HydrophobicContact CD1-CD1 3.64Å; L341-I349 HydrophobicContact CG-CD1 4.23Å; D342-I349 HydrophobicContact CB-CG1 4.45Å; I349-E353 HydrophobicContact CG2-CB 3.93Å; I349-F354 HydrophobicContact CG2-CB 3.88Å
350S93.8Very high96.3Very high11 Ų1135.1 Ų35.18%0.07719%0.193CC..EExtended strand (participates in β ladder)trans-73.8163.1171.365.40000111.6D352 E353 F354S350-D352 PolarHBondContact O-N 3.17Å; S350-E353 WeakPolarHBondContact CB-OE2 3.4Å; S350-E353 PolarHBondContact N-OE2 3.5Å; S350-E353 PolarHBondContact O-N 3.04Å; S350-E353 WeakPolarHBondContact OG-CG 3.32Å; S350-E353 PolarHBondContact OG-N 3.33Å; S350-E353 PolarHBondContact OG-OE2 3.07Å; S350-F354 PolarHBondContact O-N 2.9Å; S350-F354 VanDerWaalsContact O-N 3.11Å
351S93.6Very high96.3Very high22 Ų2232.7 Ų32.715%0.15418%0.181CC..Hα-helixtrans-59.4-31172.559.20000112.8L355S351-L355 VanDerWaalsContact O-CB 3.27Å; S351-L355 WeakPolarHBondContact O-CB 3.43Å; S351-L355 WeakPolarHBondContact O-CG 3.18Å; S351-L355 PolarHBondContact O-N 2.68Å
352D94Very high96.3Very high39 Ų3932.8 Ų32.821%0.20918%0.181CC..Hα-helixtrans-69.1-45.9-179.2-164.664.5000112.2N190 Y191 S350 L355 T356N190-D352 WeakPolarHBondContact CA-OD1 2.93Å; N190-D352 PolarHBondContact N-OD1 2.56Å; Y191-D352 PolarHBondContact N-OD1 3.37Å; S350-D352 PolarHBondContact O-N 3.17Å; D352-L355 PolarHBondContact O-N 2.65Å; D352-T356 VanDerWaalsContact O-CB 3.25Å; D352-T356 WeakPolarHBondContact O-CB 3.5Å; D352-T356 PolarHBondContact O-N 3.18Å; D352-T356 PolarHBondContact O-OG1 3.45Å
353E96.3Very high96.3Very high12 Ų1232.1 Ų32.16%0.05618%0.177CC..Hα-helixtrans-63.5-44.8176.3-75167.9133.100111.7L341 T343 D344 I349 S350 T356 A357L341-E353 VanDerWaalsContact O-CB 3.31Å; L341-E353 WeakPolarHBondContact O-CB 3.38Å; L341-E353 WeakPolarHBondContact O-CG 3.47Å; T343-E353 PolarHBondContact N-OE1 2.98Å; T343-E353 PolarHBondContact OG1-OE1 2.85Å; D344-E353 PolarHBondContact N-OE1 2.67Å; I349-E353 HydrophobicContact CG2-CB 3.93Å; S350-E353 WeakPolarHBondContact CB-OE2 3.4Å; S350-E353 PolarHBondContact N-OE2 3.5Å; S350-E353 PolarHBondContact O-N 3.04Å; S350-E353 WeakPolarHBondContact OG-CG 3.32Å; S350-E353 PolarHBondContact OG-N 3.33Å; S350-E353 PolarHBondContact OG-OE2 3.07Å; E353-T356 PolarHBondContact O-N 3.31Å; E353-A357 PolarHBondContact O-N 3.46Å
354F97.1Very high96.3Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-60.2-50.2176.3-176-89.9000111.5G300 F303 F304 I315 Y320 L323 I349 S350 A357 W358 F374G300-F354 VanDerWaalsContact O-CE1 3.25Å; G300-F354 WeakPolarHBondContact O-CE1 3.49Å; F303-F354 HydrophobicContact CB-CZ 4.39Å; F304-F354 HydrophobicContact CB-CD1 3.99Å; F304-F354 HydrophobicContact CB-CE1 4.17Å; F304-F354 HydrophobicContact CD2-CB 3.8Å; F304-F354 HydrophobicContact CD2-CD1 4.1Å; F304-F354 HydrophobicContact CD2-CD2 4.41Å; F304-F354 AromaticContact CD2-CG 3.83Å; F304-F354 HydrophobicContact CD2-CG 3.83Å; F304-F354 HydrophobicContact CE2-CB 4.24Å; I315-F354 HydrophobicContact CD1-CD2 3.93Å; Y320-F354 HydrophobicContact CE2-CE2 4.34Å; L323-F354 HydrophobicContact CD2-CE2 3.52Å; L323-F354 HydrophobicContact CD2-CZ 3.69Å; I349-F354 HydrophobicContact CG2-CB 3.88Å; S350-F354 PolarHBondContact O-N 2.9Å; S350-F354 VanDerWaalsContact O-N 3.11Å; F354-A357 PolarHBondContact O-N 2.72Å; F354-W358 HydrophobicContact CE1-CB 4.39Å; F354-W358 HydrophobicContact CE1-CE3 4.42Å; F354-W358 HydrophobicContact CZ-CE3 4.35Å; F354-W358 VanDerWaalsContact O-CB 3.29Å; F354-W358 WeakPolarHBondContact O-CB 3.32Å; F354-W358 PolarHBondContact O-N 3.26Å; F354-F374 HydrophobicContact CD2-CZ 4.49Å; F354-F374 HydrophobicContact CE2-CE2 4.3Å; F354-F374 AromaticContact CE2-CZ 3.76Å; F354-F374 HydrophobicContact CE2-CZ 3.76Å; F354-F374 AromaticContact CZ-CZ 3.85Å; F354-F374 HydrophobicContact CZ-CZ 3.85Å
355L96.5Very high96.3Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-71.3-30.3-177.4-70172.7000112.8Y191 W301 S351 D352 N359Y191-L355 HydrophobicContact CD1-CB 3.58Å; Y191-L355 HydrophobicContact CD1-CD1 3.82Å; Y191-L355 HydrophobicContact CD1-CG 4.35Å; Y191-L355 HydrophobicContact CD2-CB 4.04Å; Y191-L355 HydrophobicContact CE1-CB 3.86Å; Y191-L355 HydrophobicContact CE1-CD1 3.28Å; Y191-L355 HydrophobicContact CE1-CG 4.19Å; Y191-L355 HydrophobicContact CE2-CB 4.29Å; Y191-L355 HydrophobicContact CG-CB 3.71Å; W301-L355 HydrophobicContact CE3-CD1 4.34Å; S351-L355 VanDerWaalsContact O-CB 3.27Å; S351-L355 WeakPolarHBondContact O-CB 3.43Å; S351-L355 WeakPolarHBondContact O-CG 3.18Å; S351-L355 PolarHBondContact O-N 2.68Å; D352-L355 PolarHBondContact O-N 2.65Å; L355-N359 VanDerWaalsContact O-CB 3.28Å; L355-N359 WeakPolarHBondContact O-CB 3.44Å; L355-N359 VanDerWaalsContact O-CG 3.27Å; L355-N359 PolarHBondContact O-N 3.16Å
356T96.9Very high96.3Very high34 Ų3422.6 Ų22.621%0.20913%0.132CC..Hα-helixtrans-59.1-50.4171.2-66.40000110.6Y191 D352 E353 D360 Y371Y191-T356 VanDerWaalsContact CB-OG1 3.22Å; Y191-T356 WeakPolarHBondContact CB-OG1 3.37Å; D352-T356 VanDerWaalsContact O-CB 3.25Å; D352-T356 WeakPolarHBondContact O-CB 3.5Å; D352-T356 PolarHBondContact O-N 3.18Å; D352-T356 PolarHBondContact O-OG1 3.45Å; E353-T356 PolarHBondContact O-N 3.31Å; T356-D360 VanDerWaalsContact O-CB 3.28Å; T356-D360 WeakPolarHBondContact O-CB 3.35Å; T356-D360 PolarHBondContact O-N 2.94Å; T356-Y371 HydrophobicContact CG2-CE2 3.9Å
357A97.7Very high96.4Very high0 Ų022.8 Ų22.80%014%0.136CC..Hα-helixtrans-70.6-39.1-179.900000112.9L341 E353 F354 D360 Y361 Y371 F374L341-A357 HydrophobicContact CD2-CB 3.06Å; E353-A357 PolarHBondContact O-N 3.46Å; F354-A357 PolarHBondContact O-N 2.72Å; A357-D360 PolarHBondContact O-N 2.52Å; A357-Y361 WeakPolarHBondContact O-CB 3.09Å; A357-Y361 PolarHBondContact O-N 3.18Å; A357-Y371 HydrophobicContact CB-CD1 3.35Å; A357-Y371 HydrophobicContact CB-CD2 4.38Å; A357-Y371 HydrophobicContact CB-CE1 3.78Å; A357-Y371 HydrophobicContact CB-CG 3.7Å; A357-F374 HydrophobicContact CB-CD2 4.03Å; A357-F374 HydrophobicContact CB-CE2 4.17Å
358W97.8Very high96.4Very high7 Ų727.6 Ų27.63%0.02715%0.146CC..Hα-helixtrans-58.7-52.7175.6178-92.1000111I296 F299 G300 F303 W327 F354 D360 Y361 F362 F374 F375I296-W358 PolarHBondContact O-NE1 3.06Å; F299-W358 HydrophobicContact CB-CZ2 3.91Å; G300-W358 VanDerWaalsContact CA-CE2 3.43Å; F303-W358 AromaticContact CD2-CH2 3.6Å; F303-W358 HydrophobicContact CD2-CH2 3.6Å; F303-W358 HydrophobicContact CD2-CZ2 4.12Å; F303-W358 HydrophobicContact CD2-CZ3 4.1Å; F303-W358 AromaticContact CE2-CH2 3.7Å; F303-W358 HydrophobicContact CE2-CH2 3.7Å; F303-W358 HydrophobicContact CE2-CZ2 4.29Å; F303-W358 HydrophobicContact CE2-CZ3 4.48Å; W327-W358 HydrophobicContact CH2-CE3 4.21Å; W327-W358 HydrophobicContact CH2-CH2 4.42Å; W327-W358 AromaticContact CH2-CZ3 3.5Å; W327-W358 HydrophobicContact CH2-CZ3 3.5Å; W327-W358 VanDerWaalsContact CH2-CZ3 3.5Å; W327-W358 HydrophobicContact CZ2-CH2 4.23Å; W327-W358 AromaticContact CZ2-CZ3 3.73Å; W327-W358 HydrophobicContact CZ2-CZ3 3.73Å; W327-W358 HydrophobicContact CZ3-CZ3 4.45Å; F354-W358 HydrophobicContact CE1-CB 4.39Å; F354-W358 HydrophobicContact CE1-CE3 4.42Å; F354-W358 HydrophobicContact CZ-CE3 4.35Å; F354-W358 VanDerWaalsContact O-CB 3.29Å; F354-W358 WeakPolarHBondContact O-CB 3.32Å; F354-W358 PolarHBondContact O-N 3.26Å; W358-D360 PolarHBondContact O-N 2.89Å; W358-Y361 WeakPolarHBondContact O-CB 3.28Å; W358-Y361 PolarHBondContact O-N 2.87Å; W358-F362 HydrophobicContact CD2-CD2 4.34Å; W358-F362 AromaticContact CD2-CE2 3.79Å; W358-F362 HydrophobicContact CD2-CE2 3.79Å; W358-F362 AromaticContact CE2-CE2 3.49Å; W358-F362 VanDerWaalsContact CE2-CE2 3.49Å; W358-F362 HydrophobicContact CE3-CE2 4.08Å; W358-F362 HydrophobicContact CG-CE2 4.42Å; W358-F362 AromaticContact CH2-CE2 3.86Å; W358-F362 HydrophobicContact CH2-CE2 3.86Å; W358-F362 HydrophobicContact CH2-CZ 4.17Å; W358-F362 HydrophobicContact CZ2-CD2 4.42Å; W358-F362 AromaticContact CZ2-CE2 3.55Å; W358-F362 HydrophobicContact CZ2-CE2 3.55Å; W358-F362 HydrophobicContact CZ2-CZ 4.13Å; W358-F362 HydrophobicContact CZ3-CE2 4.09Å; W358-F362 AromaticContact NE1-CD2 4Å; W358-F362 AromaticContact NE1-CE2 3.93Å; W358-F362 WeakPolarHBondContact O-CD2 3.35Å; W358-F362 PolarHBondContact O-N 3.46Å; W358-F374 HydrophobicContact CE3-CD1 4.41Å; W358-F374 AromaticContact CE3-CE1 3.51Å; W358-F374 HydrophobicContact CE3-CE1 3.51Å; W358-F374 AromaticContact CE3-CZ 3.71Å; W358-F374 HydrophobicContact CE3-CZ 3.71Å; W358-F374 AromaticContact CZ3-CE1 3.83Å; W358-F374 HydrophobicContact CZ3-CE1 3.83Å; W358-F374 HydrophobicContact CZ3-CZ 4.39Å; W358-F375 HydrophobicContact CZ3-CZ 4.14Å
359N97.7Very high96.4Very high1 Ų125.2 Ų25.21%0.00514%0.137CC..Hα-helixtrans-64.8-42.4179.7-71.9-7.8000111.8Y191 K192 Y197 L355 Y361 F362 L363Y191-N359 WeakPolarHBondContact CD2-ND2 3.08Å; Y191-N359 VanDerWaalsContact CE2-ND2 3.27Å; Y191-N359 WeakPolarHBondContact CE2-ND2 3.1Å; K192-N359 PolarHBondContact O-ND2 2.89Å; Y197-N359 HydrophobicContact CE2-CB 4.16Å; L355-N359 VanDerWaalsContact O-CB 3.28Å; L355-N359 WeakPolarHBondContact O-CB 3.44Å; L355-N359 VanDerWaalsContact O-CG 3.27Å; L355-N359 PolarHBondContact O-N 3.16Å; N359-Y361 VanDerWaalsContact C-N 3.28Å; N359-Y361 PolarHBondContact O-N 3.24Å; N359-F362 PolarHBondContact O-N 2.69Å; N359-F362 VanDerWaalsContact O-N 3.16Å; N359-L363 HydrophobicContact CB-CD1 4.35Å; N359-L363 VanDerWaalsContact O-CB 3.25Å; N359-L363 WeakPolarHBondContact O-CB 3.45Å; N359-L363 PolarHBondContact O-N 3.27Å
360D97.6Very high96.4Very high21 Ų2128.1 Ų28.111%0.11216%0.156CC..Hα-helixtrans-60.3-39.3176.7-171.8-89.8000112Y197 K209 T356 A357 W358 F362 L363 S364 S369 Y371Y197-D360 PolarHBondContact OH-N 3.06Å; K209-D360 PolarHBondContact NZ-O 2.76Å; K209-D360 VanDerWaalsContact NZ-O 3.16Å; T356-D360 VanDerWaalsContact O-CB 3.28Å; T356-D360 WeakPolarHBondContact O-CB 3.35Å; T356-D360 PolarHBondContact O-N 2.94Å; A357-D360 PolarHBondContact O-N 2.52Å; W358-D360 PolarHBondContact O-N 2.89Å; D360-F362 VanDerWaalsContact C-N 3.28Å; D360-F362 PolarHBondContact O-N 3.13Å; D360-L363 PolarHBondContact O-N 3.27Å; D360-S364 WeakPolarHBondContact O-CB 3.33Å; D360-S364 PolarHBondContact O-N 2.86Å; D360-S364 WeakPolarHBondContact OD2-CB 3.33Å; D360-S364 PolarHBondContact OD2-OG 2.76Å; D360-S369 WeakPolarHBondContact OD1-CB 3.34Å; D360-S369 PolarHBondContact OD1-OG 3.18Å; D360-Y371 HydrophobicContact CB-CD2 3.71Å; D360-Y371 HydrophobicContact CB-CG 4.31Å
361Y98Very high96.6Very high1 Ų129.4 Ų29.40%0.00416%0.159CC..Hα-helixtrans-58-40176.2-175.5-90.9000112.4K209 I210 M213 A357 W358 N359 Y371 R372 F374 F375K209-Y361 VanDerWaalsContact C-OH 3.28Å; K209-Y361 HydrophobicContact CB-CE1 4.22Å; K209-Y361 HydrophobicContact CB-CE2 3.85Å; K209-Y361 HydrophobicContact CD-CD2 3.91Å; K209-Y361 HydrophobicContact CD-CE2 3.99Å; K209-Y361 HydrophobicContact CD-CG 4.43Å; K209-Y361 WeakPolarHBondContact CD-O 3.48Å; K209-Y361 WeakPolarHBondContact CE-O 2.98Å; K209-Y361 HydrophobicContact CG-CD2 4.39Å; K209-Y361 HydrophobicContact CG-CE2 3.95Å; K209-Y361 PolarHBondContact NZ-O 3.24Å; K209-Y361 PolarHBondContact O-OH 2.81Å; I210-Y361 HydrophobicContact CD1-CE1 4.43Å; M213-Y361 HydrophobicContact CB-CE1 4.47Å; A357-Y361 WeakPolarHBondContact O-CB 3.09Å; A357-Y361 PolarHBondContact O-N 3.18Å; W358-Y361 WeakPolarHBondContact O-CB 3.28Å; W358-Y361 PolarHBondContact O-N 2.87Å; N359-Y361 VanDerWaalsContact C-N 3.28Å; N359-Y361 PolarHBondContact O-N 3.24Å; Y361-Y371 WeakPolarHBondContact CD2-O 3.29Å; Y361-R372 WeakPolarHBondContact CE2-O 3.39Å; Y361-F374 HydrophobicContact CD2-CB 3.56Å; Y361-F374 HydrophobicContact CE2-CB 4.18Å; Y361-F374 HydrophobicContact CG-CB 3.98Å; Y361-F375 AromaticContact CD1-CD2 3.95Å; Y361-F375 HydrophobicContact CD1-CD2 3.95Å; Y361-F375 AromaticContact CD1-CE2 3.84Å; Y361-F375 HydrophobicContact CD1-CE2 3.84Å; Y361-F375 HydrophobicContact CD2-CD2 4.29Å; Y361-F375 AromaticContact CE1-CD2 3.42Å; Y361-F375 HydrophobicContact CE1-CD2 3.42Å; Y361-F375 VanDerWaalsContact CE1-CD2 3.42Å; Y361-F375 AromaticContact CE1-CE2 3.57Å; Y361-F375 HydrophobicContact CE1-CE2 3.57Å; Y361-F375 AromaticContact CE2-CD2 3.79Å; Y361-F375 HydrophobicContact CE2-CD2 3.79Å; Y361-F375 HydrophobicContact CG-CD2 4.34Å; Y361-F375 HydrophobicContact CG-CE2 4.47Å; Y361-F375 AromaticContact CZ-CD2 3.31Å; Y361-F375 AromaticContact CZ-CE2 3.99Å; Y361-F375 WeakPolarHBondContact OH-CD2 3.49Å
362F97.6Very high96.8Very high3 Ų332.3 Ų32.31%0.01317%0.167CC..Hα-helixtrans-89.3-29.6-179.4-67.9-71.8000114.3W206 I210 M213 M284 I288 I296 W358 N359 D360 F375W206-F362 PolarHBondContact NE1-O 3.42Å; I210-F362 HydrophobicContact CD1-CD1 4.04Å; I210-F362 HydrophobicContact CD1-CE1 4.26Å; M213-F362 HydrophobicContact CE-CE1 4.41Å; M213-F362 HydrophobicContact CE-CZ 4.29Å; M213-F362 HydrophobicContact SD-CE1 3.61Å; M213-F362 HydrophobicContact SD-CZ 3.82Å; M284-F362 HydrophobicContact CE-CD1 3.48Å; M284-F362 VanDerWaalsContact CE-CD1 3.48Å; M284-F362 HydrophobicContact CE-CE1 3.42Å; M284-F362 VanDerWaalsContact CE-CE1 3.42Å; I288-F362 WeakPolarHBondContact CD1-O 3.07Å; I296-F362 HydrophobicContact CD1-CB 4.06Å; I296-F362 HydrophobicContact CD1-CD1 4.19Å; I296-F362 HydrophobicContact CD1-CD2 4.21Å; I296-F362 HydrophobicContact CD1-CG 3.88Å; I296-F362 HydrophobicContact CG1-CB 4.44Å; I296-F362 HydrophobicContact CG2-CB 4.03Å; I296-F362 HydrophobicContact CG2-CD2 3.91Å; I296-F362 HydrophobicContact CG2-CG 4.23Å; W358-F362 HydrophobicContact CD2-CD2 4.34Å; W358-F362 AromaticContact CD2-CE2 3.79Å; W358-F362 HydrophobicContact CD2-CE2 3.79Å; W358-F362 AromaticContact CE2-CE2 3.49Å; W358-F362 VanDerWaalsContact CE2-CE2 3.49Å; W358-F362 HydrophobicContact CE3-CE2 4.08Å; W358-F362 HydrophobicContact CG-CE2 4.42Å; W358-F362 AromaticContact CH2-CE2 3.86Å; W358-F362 HydrophobicContact CH2-CE2 3.86Å; W358-F362 HydrophobicContact CH2-CZ 4.17Å; W358-F362 HydrophobicContact CZ2-CD2 4.42Å; W358-F362 AromaticContact CZ2-CE2 3.55Å; W358-F362 HydrophobicContact CZ2-CE2 3.55Å; W358-F362 HydrophobicContact CZ2-CZ 4.13Å; W358-F362 HydrophobicContact CZ3-CE2 4.09Å; W358-F362 AromaticContact NE1-CD2 4Å; W358-F362 AromaticContact NE1-CE2 3.93Å; W358-F362 WeakPolarHBondContact O-CD2 3.35Å; W358-F362 PolarHBondContact O-N 3.46Å; N359-F362 PolarHBondContact O-N 2.69Å; N359-F362 VanDerWaalsContact O-N 3.16Å; D360-F362 VanDerWaalsContact C-N 3.28Å; D360-F362 PolarHBondContact O-N 3.13Å; F362-F375 HydrophobicContact CZ-CE2 4.05Å; F362-F375 HydrophobicContact CZ-CZ 4.42Å
363L97.4Very high96.8Very high2 Ų233.7 Ų33.71%0.0117%0.173CC..Hα-helixtrans-118.6-1.7-164.7-56.8172.7000114.4A194 Y197 I200 I288 N359 D360A194-L363 HydrophobicContact CB-CD1 3.99Å; Y197-L363 HydrophobicContact CD1-CB 3.78Å; Y197-L363 WeakPolarHBondContact CD1-O 3.27Å; Y197-L363 HydrophobicContact CD2-CB 3.69Å; Y197-L363 HydrophobicContact CD2-CD1 3.73Å; Y197-L363 HydrophobicContact CD2-CG 4.39Å; Y197-L363 HydrophobicContact CE1-CB 4.13Å; Y197-L363 HydrophobicContact CE2-CB 4.07Å; Y197-L363 HydrophobicContact CE2-CD1 4.03Å; Y197-L363 HydrophobicContact CG-CB 3.55Å; Y197-L363 HydrophobicContact CG-CD1 4.37Å; I200-L363 WeakPolarHBondContact CD1-O 3.48Å; I288-L363 HydrophobicContact CB-CD2 3.87Å; I288-L363 HydrophobicContact CG2-CD2 4.12Å; N359-L363 HydrophobicContact CB-CD1 4.35Å; N359-L363 VanDerWaalsContact O-CB 3.25Å; N359-L363 WeakPolarHBondContact O-CB 3.45Å; N359-L363 PolarHBondContact O-N 3.27Å; D360-L363 PolarHBondContact O-N 3.27Å
364S96.4Very high96.8Very high16 Ų1633.1 Ų33.111%0.11217%0.17CC..  trans-104.4150.5175-171.40000111.9K209 D360 D366K209-S364 PolarHBondContact NZ-O 2.99Å; D360-S364 WeakPolarHBondContact O-CB 3.33Å; D360-S364 PolarHBondContact O-N 2.86Å; D360-S364 WeakPolarHBondContact OD2-CB 3.33Å; D360-S364 PolarHBondContact OD2-OG 2.76Å; S364-D366 PolarHBondContact OG-N 3.18Å
365E95.5Very high96.8Very high56 Ų5633.2 Ų33.226%0.26217%0.17SC..  trans-115.811.2168.7-58-161.278.700112.5I200 D201 C202 G203 W206 P367I200-E365 HydrophobicContact CG2-CG 3.64Å; I200-E365 WeakPolarHBondContact CG2-OE2 3.22Å; D201-E365 WeakPolarHBondContact CA-OE2 3.45Å; D201-E365 WeakPolarHBondContact CB-OE2 3.48Å; D201-E365 PolarHBondContact N-OE2 3.42Å; C202-E365 PolarHBondContact N-OE1 3.26Å; C202-E365 PolarHBondContact N-OE2 3.02Å; G203-E365 PolarHBondContact N-OE1 3.32Å; W206-E365 HydrophobicContact CB-CG 4.15Å; E365-P367 WeakPolarHBondContact O-CD 3.24Å; E365-P367 VanDerWaalsContact O-N 3.13Å
366D96.1Very high96.6Very high79 Ų7933.3 Ų33.342%0.42217%0.171SC..  trans-65.8111.6179.81808.5000110.7S364 Q368 S369S364-D366 PolarHBondContact OG-N 3.18Å; D366-Q368 PolarHBondContact O-N 3.07Å; D366-Q368 VanDerWaalsContact O-N 3.14Å; D366-Q368 WeakPolarHBondContact OD1-CA 3.46Å; D366-Q368 WeakPolarHBondContact OD1-CB 3.34Å; D366-Q368 PolarHBondContact OD1-N 3.21Å; D366-S369 WeakPolarHBondContact O-CB 3.37Å; D366-S369 PolarHBondContact O-N 2.65Å; D366-S369 VanDerWaalsContact O-N 3.13Å; D366-S369 PolarHBondContact OD2-N 3.44Å
367P95.2Very high96.4Very high71 Ų7134.8 Ų34.846%0.46118%0.181SC..THydrogen-bonded Turntrans-66.8-13.5178.129.3-35.5000112.5V205 E365 R372V205-P367 HydrophobicContact CG2-CB 3.95Å; E365-P367 WeakPolarHBondContact O-CD 3.24Å; E365-P367 VanDerWaalsContact O-N 3.13Å; P367-R372 VanDerWaalsContact O-CZ 3.29Å; P367-R372 PolarHBondContact O-NH1 3.02Å
368Q96.5Very high96.2Very high149 Ų14937.2 Ų37.270%0.69620%0.196SC*.THydrogen-bonded Turntrans-97-6.8176.8-54.9-61.311.900113.6D366D366-Q368 PolarHBondContact O-N 3.07Å; D366-Q368 VanDerWaalsContact O-N 3.14Å; D366-Q368 WeakPolarHBondContact OD1-CA 3.46Å; D366-Q368 WeakPolarHBondContact OD1-CB 3.34Å; D366-Q368 PolarHBondContact OD1-N 3.21Å
369S97.1Very high95.7Very high6 Ų639.2 Ų39.24%0.04221%0.207CC..  trans-59.4127.2174.2172.70000109.7D360 D366 Y371 R372D360-S369 WeakPolarHBondContact OD1-CB 3.34Å; D360-S369 PolarHBondContact OD1-OG 3.18Å; D366-S369 WeakPolarHBondContact O-CB 3.37Å; D366-S369 PolarHBondContact O-N 2.65Å; D366-S369 VanDerWaalsContact O-N 3.13Å; D366-S369 PolarHBondContact OD2-N 3.44Å; S369-Y371 PolarHBondContact O-N 3.38Å; S369-Y371 PolarHBondContact OG-N 3.39Å; S369-R372 VanDerWaalsContact O-CG 3.24Å; S369-R372 WeakPolarHBondContact O-CG 3.38Å; S369-R372 PolarHBondContact O-N 3.31Å
370P96.4Very high95Very high61 Ų6143.3 Ų43.340%0.39624%0.236SC..G310 helixtrans-71-22.5174.532.5-36.7000111.3I340 R372 M373I340-P370 HydrophobicContact CD1-CB 4.33Å; I340-P370 HydrophobicContact CG2-CB 3.71Å; I340-P370 HydrophobicContact CG2-CG 3.93Å; P370-R372 PolarHBondContact O-N 2.79Å; P370-M373 PolarHBondContact O-N 2.91Å
371Y97.7Very high94.5Very high38 Ų3851.2 Ų51.215%0.14926%0.264CS..G310 helixtrans-70.2-11.9179.4-51.7-48.4000113.2M337 I340 L341 T356 A357 D360 Y361 S369 M373 F374M337-Y371 HydrophobicContact CE-CD1 3.82Å; I340-Y371 HydrophobicContact CG2-CD1 3.98Å; I340-Y371 HydrophobicContact CG2-CE1 3.9Å; L341-Y371 HydrophobicContact CD2-CD1 4.49Å; L341-Y371 HydrophobicContact CD2-CE1 4.45Å; T356-Y371 HydrophobicContact CG2-CE2 3.9Å; A357-Y371 HydrophobicContact CB-CD1 3.35Å; A357-Y371 HydrophobicContact CB-CD2 4.38Å; A357-Y371 HydrophobicContact CB-CE1 3.78Å; A357-Y371 HydrophobicContact CB-CG 3.7Å; D360-Y371 HydrophobicContact CB-CD2 3.71Å; D360-Y371 HydrophobicContact CB-CG 4.31Å; Y361-Y371 WeakPolarHBondContact CD2-O 3.29Å; S369-Y371 PolarHBondContact O-N 3.38Å; S369-Y371 PolarHBondContact OG-N 3.39Å; Y371-M373 PolarHBondContact O-N 2.75Å; Y371-F374 WeakPolarHBondContact O-CB 3.24Å; Y371-F374 PolarHBondContact O-N 3.17Å
372R96.5Very high93.6Very high83 Ų8354.7 Ų54.731%0.31329%0.287SS..G310 helixtrans-57.1-19170.180.4-177.9-168.6-109.19.1113.5K209 Y361 P367 S369 P370 V378K209-R372 HydrophobicContact CD-CB 3.87Å; K209-R372 HydrophobicContact CG-CB 4.25Å; Y361-R372 WeakPolarHBondContact CE2-O 3.39Å; P367-R372 VanDerWaalsContact O-CZ 3.29Å; P367-R372 PolarHBondContact O-NH1 3.02Å; S369-R372 VanDerWaalsContact O-CG 3.24Å; S369-R372 WeakPolarHBondContact O-CG 3.38Å; S369-R372 PolarHBondContact O-N 3.31Å; P370-R372 PolarHBondContact O-N 2.79Å; R372-V378 HydrophobicContact CB-CG2 4.23Å; R372-V378 HydrophobicContact CG-CG2 3.93Å; R372-V378 WeakPolarHBondContact O-CG2 3.37Å
373M95.1Very high92.7Very high68 Ų6856.8 Ų56.834%0.33530%0.299SS..G310 helixtrans-92.112.5179.3-63.5-177.559.700113.9M337 P370 Y371 F375 G376 P377M337-M373 HydrophobicContact SD-CB 4.23Å; P370-M373 PolarHBondContact O-N 2.91Å; Y371-M373 PolarHBondContact O-N 2.75Å; M373-F375 PolarHBondContact O-N 3.36Å; M373-F375 VanDerWaalsContact O-N 3.13Å; M373-G376 VanDerWaalsContact CA-O 3.32Å; M373-G376 WeakPolarHBondContact CA-O 3.42Å; M373-G376 WeakPolarHBondContact O-CA 3.5Å; M373-G376 PolarHBondContact O-N 3.11Å; M373-P377 HydrophobicContact CE-CG 4.5Å
374F96.6Very high91.6Very high0 Ų064.4 Ų64.40%034%0.335CS..THydrogen-bonded Turntrans-55.1-33.6-175.8-166.7-90.5000114.1Q324 W327 L341 F354 A357 W358 Y361 Y371Q324-F374 PolarHBondContact OE1-O 3.36Å; W327-F374 HydrophobicContact CE3-CE1 4.3Å; W327-F374 AromaticContact CH2-CE1 3.64Å; W327-F374 HydrophobicContact CH2-CE1 3.64Å; W327-F374 HydrophobicContact CH2-CZ 4.2Å; W327-F374 HydrophobicContact CZ3-CD1 4.14Å; W327-F374 AromaticContact CZ3-CE1 3.3Å; W327-F374 HydrophobicContact CZ3-CE1 3.3Å; W327-F374 AromaticContact CZ3-CZ 3.98Å; W327-F374 HydrophobicContact CZ3-CZ 3.98Å; L341-F374 HydrophobicContact CD1-CE2 4.47Å; L341-F374 HydrophobicContact CD2-CE2 4.41Å; F354-F374 HydrophobicContact CD2-CZ 4.49Å; F354-F374 HydrophobicContact CE2-CE2 4.3Å; F354-F374 AromaticContact CE2-CZ 3.76Å; F354-F374 HydrophobicContact CE2-CZ 3.76Å; F354-F374 AromaticContact CZ-CZ 3.85Å; F354-F374 HydrophobicContact CZ-CZ 3.85Å; A357-F374 HydrophobicContact CB-CD2 4.03Å; A357-F374 HydrophobicContact CB-CE2 4.17Å; W358-F374 HydrophobicContact CE3-CD1 4.41Å; W358-F374 AromaticContact CE3-CE1 3.51Å; W358-F374 HydrophobicContact CE3-CE1 3.51Å; W358-F374 AromaticContact CE3-CZ 3.71Å; W358-F374 HydrophobicContact CE3-CZ 3.71Å; W358-F374 AromaticContact CZ3-CE1 3.83Å; W358-F374 HydrophobicContact CZ3-CE1 3.83Å; W358-F374 HydrophobicContact CZ3-CZ 4.39Å; Y361-F374 HydrophobicContact CD2-CB 3.56Å; Y361-F374 HydrophobicContact CE2-CB 4.18Å; Y361-F374 HydrophobicContact CG-CB 3.98Å; Y371-F374 WeakPolarHBondContact O-CB 3.24Å; Y371-F374 PolarHBondContact O-N 3.17Å
375F95.7Very high89.9Confident2 Ų268.6 Ų68.61%0.00937%0.37CS..THydrogen-bonded Turntrans-104.322.5173.8-69.4-88.2000113T212 M213 R216 W327 W358 Y361 F362 M373T212-F375 HydrophobicContact CG2-CB 4.47Å; M213-F375 HydrophobicContact CB-CD2 4.4Å; M213-F375 HydrophobicContact CB-CG 4.46Å; M213-F375 HydrophobicContact CE-CZ 4.41Å; M213-F375 HydrophobicContact CG-CD1 4.49Å; M213-F375 HydrophobicContact CG-CE1 4.27Å; M213-F375 HydrophobicContact CG-CE2 4.31Å; M213-F375 HydrophobicContact CG-CZ 4.16Å; M213-F375 HydrophobicContact SD-CE2 4.26Å; M213-F375 HydrophobicContact SD-CZ 4.21Å; R216-F375 HydrophobicContact CG-CB 4.46Å; R216-F375 PolarHBondContact NE-O 3.02Å; W327-F375 HydrophobicContact CB-CD1 4.17Å; W327-F375 HydrophobicContact CB-CE1 4.2Å; W327-F375 HydrophobicContact CD2-CD1 4.18Å; W327-F375 AromaticContact CD2-CE1 3.51Å; W327-F375 HydrophobicContact CD2-CE1 3.51Å; W327-F375 HydrophobicContact CD2-CZ 4.33Å; W327-F375 AromaticContact CE2-CE1 3.94Å; W327-F375 HydrophobicContact CE3-CD1 4.1Å; W327-F375 AromaticContact CE3-CE1 3.67Å; W327-F375 HydrophobicContact CE3-CE1 3.67Å; W327-F375 HydrophobicContact CE3-CZ 4.34Å; W327-F375 HydrophobicContact CG-CD1 4.25Å; W327-F375 AromaticContact CG-CE1 3.78Å; W327-F375 HydrophobicContact CG-CE1 3.78Å; W327-F375 HydrophobicContact CZ2-CE1 4.45Å; W327-F375 HydrophobicContact CZ3-CE1 4.22Å; W327-F375 HydrophobicContact CZ3-CZ 4.46Å; W358-F375 HydrophobicContact CZ3-CZ 4.14Å; Y361-F375 AromaticContact CD1-CD2 3.95Å; Y361-F375 HydrophobicContact CD1-CD2 3.95Å; Y361-F375 AromaticContact CD1-CE2 3.84Å; Y361-F375 HydrophobicContact CD1-CE2 3.84Å; Y361-F375 HydrophobicContact CD2-CD2 4.29Å; Y361-F375 AromaticContact CE1-CD2 3.42Å; Y361-F375 HydrophobicContact CE1-CD2 3.42Å; Y361-F375 VanDerWaalsContact CE1-CD2 3.42Å; Y361-F375 AromaticContact CE1-CE2 3.57Å; Y361-F375 HydrophobicContact CE1-CE2 3.57Å; Y361-F375 AromaticContact CE2-CD2 3.79Å; Y361-F375 HydrophobicContact CE2-CD2 3.79Å; Y361-F375 HydrophobicContact CG-CD2 4.34Å; Y361-F375 HydrophobicContact CG-CE2 4.47Å; Y361-F375 AromaticContact CZ-CD2 3.31Å; Y361-F375 AromaticContact CZ-CE2 3.99Å; Y361-F375 WeakPolarHBondContact OH-CD2 3.49Å; F362-F375 HydrophobicContact CZ-CE2 4.05Å; F362-F375 HydrophobicContact CZ-CZ 4.42Å; M373-F375 PolarHBondContact O-N 3.36Å; M373-F375 VanDerWaalsContact O-N 3.13Å
376G93Very high87.7Confident2 Ų279.6 Ų79.62%0.02141%0.41CS..SBendtrans93.5-171.9-175.600000114.3M373 V378M373-G376 VanDerWaalsContact CA-O 3.32Å; M373-G376 WeakPolarHBondContact CA-O 3.42Å; M373-G376 WeakPolarHBondContact O-CA 3.5Å; M373-G376 PolarHBondContact O-N 3.11Å; G376-V378 PolarHBondContact O-N 2.71Å
377P92.5Very high87.3Confident64 Ų6479.7 Ų79.742%0.41641%0.409SS..SBendtrans-55.8135.5179.6-24.834.7000112.6T212 E333 M373 I379T212-P377 WeakPolarHBondContact CG2-O 3.3Å; E333-P377 VanDerWaalsContact CD-CD 3.49Å; E333-P377 WeakPolarHBondContact OE1-CD 3.38Å; M373-P377 HydrophobicContact CE-CG 4.5Å; P377-I379 PolarHBondContact O-N 2.77Å
378V93.4Very high86.8Confident51 Ų5180.1 Ų80.131%0.30941%0.406SS..PPolyproline II helixtrans-70.4129.2-174.5176.20000111.4K209 T212 R372 G376K209-V378 HydrophobicContact CG-CG2 4.41Å; T212-V378 WeakPolarHBondContact OG1-CA 3.49Å; R372-V378 HydrophobicContact CB-CG2 4.23Å; R372-V378 HydrophobicContact CG-CG2 3.93Å; R372-V378 WeakPolarHBondContact O-CG2 3.37Å; G376-V378 PolarHBondContact O-N 2.71Å
379I88.2Confident86.3Confident49 Ų4976.3 Ų76.325%0.25139%0.39SS..PPolyproline II helixtrans-94.8117.6177.6-62.2178.3000109.5S208 T212 R215 P377S208-I379 WeakPolarHBondContact CA-O 3.44Å; S208-I379 WeakPolarHBondContact CB-O 3.49Å; T212-I379 HydrophobicContact CG2-CD1 4.4Å; T212-I379 HydrophobicContact CG2-CG1 4.29Å; T212-I379 PolarHBondContact OG1-N 2.75Å; R215-I379 HydrophobicContact CB-CD1 4.22Å; R215-I379 HydrophobicContact CG-CD1 4.49Å; P377-I379 PolarHBondContact O-N 2.77Å
380S83.2Confident85.7Confident88 Ų8880.4 Ų80.462%0.61541%0.411SS*.  trans-93.2-19.5-175.456.90000115.4
381R85.7Confident85Confident187 Ų18781.6 Ų81.671%0.70641%0.412SS*.SBendtrans-93132.5-176-65.8-173.6-176.5-177.21.7111R215R215-R381 PolarHBondContact NH2-O 2.97Å
382P80.1Confident84.2Confident74 Ų7484.5 Ų84.548%0.48143%0.429SS..PPolyproline II helixtrans-57.4155.6168.8-21.932.9000112.1R215 E277 E384R215-P382 PolarHBondContact NH2-O 3.42Å; E277-P382 WeakPolarHBondContact OE1-CA 3.15Å; P382-E384 PolarHBondContact O-N 2.83Å
383T78Confident83.3Confident46 Ų4684.6 Ų84.628%0.28244%0.437SS..PPolyproline II helixtrans-68.3122.8168.5-60.40000109.3R215 M223 E277 A385R215-T383 PolarHBondContact NE-OG1 2.99Å; R215-T383 VanDerWaalsContact NH2-N 3.19Å; R215-T383 PolarHBondContact NH2-OG1 3.15Å; M223-T383 HydrophobicContact CB-CG2 4.33Å; M223-T383 HydrophobicContact CG-CG2 3.88Å; M223-T383 HydrophobicContact SD-CG2 3.84Å; E277-T383 PolarHBondContact OE1-N 3.21Å; E277-T383 VanDerWaalsContact OE2-CB 3.28Å; E277-T383 WeakPolarHBondContact OE2-CB 3.36Å; E277-T383 PolarHBondContact OE2-N 3.31Å; E277-T383 PolarHBondContact OE2-OG1 2.89Å; T383-A385 PolarHBondContact O-N 2.91Å
384E74.1Confident82.4Confident163 Ų16385.9 Ų85.976%0.76245%0.445SS*.PPolyproline II helixtrans-68.9123.5177.1-68.6178.1-177.200109P382 R386P382-E384 PolarHBondContact O-N 2.83Å; E384-R386 PolarHBondContact O-N 3.14Å
385A61.5Low81.2Confident103 Ų10393.1 Ų93.185%0.85148%0.482SS*.PPolyproline II helixtrans-64.5116.717300000108.6T383T383-A385 PolarHBondContact O-N 2.91Å
386R48.8Very low79.9Confident288 Ų288101.4 Ų101.4100%1.08753%0.525SS*.  trans-77.20169.4-80.7-168.7178.8178.82.1111.8M223 E384M223-R386 HydrophobicContact CE-CG 4.11Å; E384-R386 PolarHBondContact O-N 3.14Å

Retrieved 386 of 386 residues in 610.8 ms (Link to these results)

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