A0A3Q0KRZ2_SCHMA Loading...

GPN-loop GTPase 2 AlphaSync

Small GTPase involved in the correct assembly of RNA polymerase RNA polymerase II and III (RNAPII and RNAPIII) complexes, ensuring their proper nuclear import.

AlphaFold DB , UniProt , Accession A0A3Q0KRZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 373 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
1M35.7Very low59.5Low241 Ų241109.2 Ų109.2100%1.18761%0.608SS**  0139.50-66.9151.679.900106.8
2M36.4Very low61.3Low191 Ų191107.8 Ų107.894%0.94161%0.608SS**  trans-76136.1169.5-78.3176.116100108.6A4M2-A4 VanDerWaalsContact C-N 3.33Å; M2-A4 PolarHBondContact O-N 3.34Å
3S42.9Very low62.9Low104 Ų104110.2 Ų110.273%0.72762%0.618SS**  trans-7684.817349.50000109.6
4A42.5Very low64.5Low85 Ų85102.6 Ų102.670%0.70258%0.577SS**  trans-64.5158.5161.100000110M2M2-A4 VanDerWaalsContact C-N 3.33Å; M2-A4 PolarHBondContact O-N 3.34Å
5D47.5Very low66.3Low143 Ų14395.9 Ų95.977%0.76554%0.539SS*.  trans72.229.4175.2-58.4-4.8000117.7K7D5-K7 VanDerWaalsContact C-N 3.31Å; D5-K7 PolarHBondContact O-N 3.02Å
6S56.5Low67.8Low47 Ų4795.7 Ų95.733%0.32953%0.532SS..  trans-64.391.6150.6600000109.1D172S6-D172 VanDerWaalsContact CB-OD1 3.31Å; S6-D172 WeakPolarHBondContact CB-OD1 3.2Å
7K68Low69.4Low162 Ų16290.4 Ų90.470%0.70450%0.502SS*.PPolyproline II helixtrans-75.2131.4-179.8-72.5177.3-178.81720109.5D5D5-K7 VanDerWaalsContact C-N 3.31Å; D5-K7 PolarHBondContact O-N 3.02Å
8P76.9Confident70.9Confident106 Ų10688.6 Ų88.669%0.68849%0.489SS*.PPolyproline II helixtrans-60.3147.2-178.726.5-35.2000111.3
9Y78.9Confident72.2Confident20 Ų2083.9 Ų83.98%0.07846%0.463CS..PPolyproline II helixtrans-56.1128.7-178.7-174.1-98.4000110.6F11 A104 N105 A108 V174 P175Y9-F11 HydrophobicContact CD1-CB 4.43Å; Y9-F11 HydrophobicContact CE1-CB 3.95Å; Y9-F11 WeakPolarHBondContact CE1-O 3.49Å; Y9-F11 PolarHBondContact O-N 3.16Å; Y9-F11 VanDerWaalsContact O-N 3.14Å; Y9-A104 HydrophobicContact CE2-CB 4.33Å; Y9-A104 PolarHBondContact OH-O 3.21Å; Y9-N105 WeakPolarHBondContact CD2-OD1 3.31Å; Y9-N105 WeakPolarHBondContact CE2-OD1 3.25Å; Y9-A108 HydrophobicContact CE2-CB 3.98Å; Y9-V174 HydrophobicContact CD2-CB 4.43Å; Y9-V174 HydrophobicContact CD2-CG1 4.28Å; Y9-V174 HydrophobicContact CD2-CG2 4.03Å; Y9-V174 HydrophobicContact CE2-CG1 4.14Å; Y9-V174 HydrophobicContact CE2-CG2 4.49Å; Y9-P175 HydrophobicContact CD1-CG 3.86Å; Y9-P175 VanDerWaalsContact CE1-CD 3.48Å; Y9-P175 HydrophobicContact CE1-CG 3.71Å
10P82.9Confident73.4Confident58 Ų5879.8 Ų79.838%0.37744%0.44SS..SBendtrans-71-14.5-164.727.5-37.7000114.8A108 Q112P10-A108 HydrophobicContact CG-CB 3.91Å; P10-Q112 VanDerWaalsContact CB-NE2 3.29Å
11F86.7Confident74.5Confident44 Ų4476 Ų7619%0.19342%0.419CS..  trans-132.266.3-175.8-57.1-64.6000111.7Y9 N13 G14 L15 A108 K111 Q112Y9-F11 HydrophobicContact CD1-CB 4.43Å; Y9-F11 HydrophobicContact CE1-CB 3.95Å; Y9-F11 WeakPolarHBondContact CE1-O 3.49Å; Y9-F11 PolarHBondContact O-N 3.16Å; Y9-F11 VanDerWaalsContact O-N 3.14Å; F11-N13 PolarHBondContact O-N 2.95Å; F11-N13 VanDerWaalsContact O-N 3.17Å; F11-G14 PolarHBondContact O-N 3.03Å; F11-L15 HydrophobicContact CB-CD2 4.01Å; F11-L15 HydrophobicContact CD2-CD2 3.51Å; F11-L15 HydrophobicContact CE2-CD2 4.29Å; F11-L15 HydrophobicContact CG-CD2 3.99Å; F11-A108 HydrophobicContact CD2-CB 3.94Å; F11-A108 HydrophobicContact CE2-CB 4.11Å; F11-K111 HydrophobicContact CD1-CD 3.97Å; F11-K111 HydrophobicContact CD2-CB 4.45Å; F11-K111 HydrophobicContact CD2-CD 3.86Å; F11-K111 HydrophobicContact CD2-CG 4.42Å; F11-K111 HydrophobicContact CE1-CD 3.83Å; F11-K111 HydrophobicContact CE1-CG 4.13Å; F11-K111 HydrophobicContact CE2-CB 3.73Å; F11-K111 HydrophobicContact CE2-CD 3.72Å; F11-K111 HydrophobicContact CE2-CG 3.78Å; F11-K111 HydrophobicContact CG-CD 3.99Å; F11-K111 HydrophobicContact CZ-CB 4Å; F11-K111 HydrophobicContact CZ-CD 3.7Å; F11-K111 HydrophobicContact CZ-CG 3.61Å; F11-Q112 HydrophobicContact CE2-CG 3.89Å; F11-Q112 HydrophobicContact CZ-CG 3.82Å
12P80.5Confident77.5Confident93 Ų9364.5 Ų64.560%0.60436%0.363SS*.THydrogen-bonded Turntrans-62.6-24.5-175.826.8-35.6000113.4
13N82.3Confident80.2Confident138 Ų13855.4 Ų55.474%0.73832%0.318SS*.THydrogen-bonded Turntrans-85.3-6.2177.5-62.43.6000113.5F11 H16F11-N13 PolarHBondContact O-N 2.95Å; F11-N13 VanDerWaalsContact O-N 3.17Å; N13-H16 PolarHBondContact O-CE1 2.71Å; N13-H16 PolarHBondContact O-NE2 2.97Å
14G86.1Confident82.6Confident4 Ų450.5 Ų50.54%0.04128%0.284CS..  trans112.4168-17600000115.1F11 K111F11-G14 PolarHBondContact O-N 3.03Å; G14-K111 PolarHBondContact O-NZ 2.8Å
15L90.8Very high85Confident2 Ų247.2 Ų47.21%0.0126%0.255CS..  trans-84.4-34.9-178.8-63.4-177.2000111.9F11 L17 L107 A108 K111 L178 L180F11-L15 HydrophobicContact CB-CD2 4.01Å; F11-L15 HydrophobicContact CD2-CD2 3.51Å; F11-L15 HydrophobicContact CE2-CD2 4.29Å; F11-L15 HydrophobicContact CG-CD2 3.99Å; L15-L17 HydrophobicContact CB-CG 4.38Å; L15-L17 PolarHBondContact O-N 3.14Å; L15-L17 VanDerWaalsContact O-N 3.08Å; L15-L107 HydrophobicContact CD1-CB 3.6Å; L15-L107 HydrophobicContact CD1-CD1 4.43Å; L15-A108 HydrophobicContact CD2-CB 4.43Å; L15-K111 VanDerWaalsContact C-NZ 3.34Å; L15-K111 HydrophobicContact CB-CD 4.19Å; L15-K111 HydrophobicContact CD2-CB 4.34Å; L15-K111 HydrophobicContact CD2-CD 3.69Å; L15-K111 WeakPolarHBondContact O-CD 3.44Å; L15-K111 VanDerWaalsContact O-CE 3.24Å; L15-K111 WeakPolarHBondContact O-CE 3.5Å; L15-K111 PolarHBondContact O-NZ 2.95Å; L15-L178 WeakPolarHBondContact CB-O 3.34Å; L15-L178 HydrophobicContact CD1-CB 4.11Å; L15-L178 HydrophobicContact CD1-CD1 4.06Å; L15-L178 HydrophobicContact CD1-CG 4.48Å; L15-L178 HydrophobicContact CG-CB 4.3Å; L15-L178 PolarHBondContact N-O 3.03Å; L15-L180 HydrophobicContact CB-CD2 3.62Å; L15-L180 HydrophobicContact CB-CG 4.48Å; L15-L180 HydrophobicContact CD1-CD2 4.1Å; L15-L180 HydrophobicContact CG-CD2 4.48Å
16H91Very high87Confident93 Ų9344.1 Ų44.143%0.43124%0.243SC..  trans51.329.1179.8-40.6-54.3000113.7N13 D179N13-H16 PolarHBondContact O-CE1 2.71Å; N13-H16 PolarHBondContact O-NE2 2.97Å; H16-D179 WeakPolarHBondContact CA-O 3.48Å; H16-D179 IonicContact CE1-OD2 2.68Å; H16-D179 PolarHBondContact CE1-OD2 2.94Å; H16-D179 PolarHBondContact N-O 2.57Å; H16-D179 IonicContact ND1-OD2 3.5Å; H16-D179 PolarHBondContact ND1-OD2 2.94Å
17L94.7Very high88.6Confident5 Ų544.6 Ų44.63%0.02626%0.255CS..  trans-88.9151.2174.5-61.2178.6000109.9L15 K111 I117 L119 L180 Q181L15-L17 HydrophobicContact CB-CG 4.38Å; L15-L17 PolarHBondContact O-N 3.14Å; L15-L17 VanDerWaalsContact O-N 3.08Å; L17-K111 HydrophobicContact CD1-CB 4.06Å; L17-K111 HydrophobicContact CD1-CG 4.43Å; L17-K111 HydrophobicContact CD2-CD 4.49Å; L17-K111 HydrophobicContact CD2-CG 4.3Å; L17-K111 HydrophobicContact CG-CD 4.42Å; L17-I117 HydrophobicContact CD1-CG2 3.69Å; L17-I117 HydrophobicContact CD2-CG2 4.36Å; L17-L119 HydrophobicContact CB-CD1 4.01Å; L17-L119 HydrophobicContact CB-CG 4.33Å; L17-L119 HydrophobicContact CD1-CD1 4.06Å; L17-L119 HydrophobicContact CD1-CD2 4.17Å; L17-L119 HydrophobicContact CD1-CG 4.3Å; L17-L180 HydrophobicContact CB-CD2 3.74Å; L17-L180 HydrophobicContact CG-CD2 4.47Å; L17-Q181 PolarHBondContact O-N 2.87Å
18F95.6Very high89.8Confident59 Ų5937 Ų3726%0.25922%0.222SC..EExtended strand (participates in β ladder)trans-95.3153.1177.4-63.7-92.9000110.8Y118 L119 Q181 N310 Y312F18-Y118 HydrophobicContact CB-CD2 4.14Å; F18-Y118 HydrophobicContact CB-CE2 4.26Å; F18-L119 PolarHBondContact O-N 2.96Å; F18-Q181 CarbonylContact C-O 3.43Å; F18-Q181 WeakPolarHBondContact CA-O 3.48Å; F18-Q181 HydrophobicContact CD1-CB 3.6Å; F18-Q181 HydrophobicContact CD1-CG 4.3Å; F18-Q181 HydrophobicContact CE1-CB 3.8Å; F18-Q181 HydrophobicContact CE1-CG 4.03Å; F18-Q181 HydrophobicContact CG-CB 4.29Å; F18-Q181 HydrophobicContact CZ-CG 4.5Å; F18-N310 HydrophobicContact CD1-CB 4.43Å; F18-N310 WeakPolarHBondContact CD1-O 3.48Å; F18-N310 WeakPolarHBondContact CE1-O 3.34Å; F18-Y312 HydrophobicContact CB-CD2 3.83Å; F18-Y312 HydrophobicContact CD1-CD2 4.49Å; F18-Y312 AromaticContact CD2-CD2 3.98Å; F18-Y312 HydrophobicContact CD2-CD2 3.98Å; F18-Y312 AromaticContact CG-CD2 3.85Å; F18-Y312 HydrophobicContact CG-CD2 3.85Å; F18-Y312 HydrophobicContact CG-CG 4.45Å
19G96Very high90.5Very high0 Ų032.6 Ų32.60%020%0.197CC..EExtended strand (participates in β ladder)trans-178.8-169.6177.600000116.2L119 Q181 T183 N310G19-L119 CarbonylContact C-O 3.28Å; G19-L119 WeakPolarHBondContact CA-O 3.18Å; G19-Q181 PolarHBondContact N-O 3.1Å; G19-T183 PolarHBondContact O-N 3.26Å; G19-N310 PolarHBondContact O-ND2 3Å; G19-N310 VanDerWaalsContact O-ND2 3.15Å
20Q97.1Very high91.3Very high0 Ų032.2 Ų32.20%020%0.195CC..EExtended strand (participates in β ladder)trans-131.9134.1-174.1-47-172.7-0.300109.7V22 Y33 Y118 L119 F121 T183 V185 V306Q20-V22 HydrophobicContact CB-CG2 4.47Å; Q20-Y33 PolarHBondContact OE1-OH 2.86Å; Q20-Y118 HydrophobicContact CG-CE1 3.73Å; Q20-Y118 PolarHBondContact NE2-OH 3.4Å; Q20-L119 PolarHBondContact N-O 3.26Å; Q20-F121 PolarHBondContact O-N 2.97Å; Q20-T183 CarbonylContact C-O 3.55Å; Q20-T183 WeakPolarHBondContact CA-O 3.18Å; Q20-V185 HydrophobicContact CB-CG2 4Å; Q20-V185 HydrophobicContact CG-CG2 4.4Å; Q20-V306 HydrophobicContact CB-CG1 4.47Å; Q20-V306 HydrophobicContact CG-CG1 3.56Å
21L96.8Very high91.8Very high1 Ų130.8 Ų30.81%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-101.9107.6166.9-65.2-170.6000108.1F121 L123 V140 L143 L182 T183 S184 V185 I215L21-F121 HydrophobicContact CD2-CB 3.55Å; L21-F121 HydrophobicContact CD2-CD1 4.37Å; L21-F121 HydrophobicContact CD2-CD2 3.53Å; L21-F121 HydrophobicContact CD2-CE2 4.26Å; L21-F121 HydrophobicContact CD2-CG 3.58Å; L21-L123 HydrophobicContact CB-CD1 3.84Å; L21-L123 HydrophobicContact CD1-CD1 4.43Å; L21-L123 HydrophobicContact CD2-CD1 4.19Å; L21-L123 HydrophobicContact CG-CD1 4.37Å; L21-V140 HydrophobicContact CD1-CB 4.44Å; L21-V140 HydrophobicContact CD1-CG1 4.2Å; L21-V140 HydrophobicContact CD1-CG2 3.43Å; L21-V140 VanDerWaalsContact CD1-CG2 3.43Å; L21-L143 HydrophobicContact CD2-CD1 4.43Å; L21-L182 HydrophobicContact CD1-CD1 4.22Å; L21-L182 HydrophobicContact CD2-CD1 3.84Å; L21-L182 HydrophobicContact CG-CB 4.26Å; L21-L182 HydrophobicContact CG-CD1 4.02Å; L21-T183 PolarHBondContact N-O 3.01Å; L21-S184 WeakPolarHBondContact O-CA 3.32Å; L21-V185 PolarHBondContact O-N 3.17Å; L21-I215 HydrophobicContact CD1-CD1 3.74Å; L21-I215 HydrophobicContact CG-CD1 4.39Å
22V96.8Very high92.2Very high0 Ų032 Ų320%020%0.197CC..EExtended strand (participates in β ladder)trans-89.1111.2-174.4-174.20000109Q20 K30 Y33 I120 F121 L123 L187Q20-V22 HydrophobicContact CB-CG2 4.47Å; V22-K30 HydrophobicContact CG1-CB 3.83Å; V22-K30 HydrophobicContact CG1-CG 3.99Å; V22-Y33 HydrophobicContact CG1-CD1 3.81Å; V22-Y33 HydrophobicContact CG1-CE1 4.33Å; V22-Y33 HydrophobicContact CG2-CD1 4.01Å; V22-Y33 HydrophobicContact CG2-CE1 3.88Å; V22-I120 HydrophobicContact CG2-CG2 3.89Å; V22-F121 WeakPolarHBondContact CB-O 3.4Å; V22-F121 PolarHBondContact N-O 3.21Å; V22-L123 WeakPolarHBondContact O-CB 3.25Å; V22-L123 PolarHBondContact O-N 3.42Å; V22-L187 HydrophobicContact CG1-CD1 3.49Å; V22-L187 VanDerWaalsContact CG1-CD1 3.49Å
23I95Very high93Very high0 Ų027.7 Ų27.70%017%0.169CC..EExtended strand (participates in β ladder)trans-125.8168.6-173.867.6162.7000112.1L123 Y130 S184 V185 H186 L187 A209 L213I23-L123 HydrophobicContact CG2-CB 4.28Å; I23-L123 HydrophobicContact CG2-CD1 3.59Å; I23-L123 HydrophobicContact CG2-CG 4.41Å; I23-Y130 HydrophobicContact CB-CD1 4.28Å; I23-Y130 HydrophobicContact CB-CE1 3.86Å; I23-Y130 HydrophobicContact CD1-CD1 4.37Å; I23-Y130 HydrophobicContact CG2-CD1 3.95Å; I23-Y130 HydrophobicContact CG2-CE1 3.33Å; I23-S184 WeakPolarHBondContact CD1-OG 3.36Å; I23-S184 WeakPolarHBondContact CG1-OG 3.48Å; I23-V185 PolarHBondContact N-O 2.92Å; I23-H186 HydrophobicContact CD1-CB 4.2Å; I23-H186 HydrophobicContact CG1-CB 3.9Å; I23-H186 WeakPolarHBondContact O-CA 3.43Å; I23-L187 PolarHBondContact O-N 2.91Å; I23-A209 HydrophobicContact CD1-CB 4.1Å; I23-L213 HydrophobicContact CD1-CD1 3.98Å; I23-L213 HydrophobicContact CG2-CD1 4.44Å
24G92.6Very high93.6Very high1 Ų121.1 Ų21.11%0.0113%0.133CC..  trans133.2169.4175.400000113.8K30 H186G24-K30 WeakPolarHBondContact O-CE 3.32Å; G24-K30 PolarHBondContact O-NZ 3.39Å; G24-H186 VanDerWaalsContact CA-CD2 3.41Å; G24-H186 WeakPolarHBondContact CA-CD2 3.49Å
25P92.1Very high94.1Very high15 Ų1521.6 Ų21.610%0.09714%0.137CC..SBendtrans-55.9166.2-173.218-30.5000114.9S28 K30 G125 V127P25-S28 PolarHBondContact O-N 3.13Å; P25-S28 PolarHBondContact O-OG 2.83Å; P25-S28 VanDerWaalsContact O-OG 3.11Å; P25-K30 PolarHBondContact O-NZ 2.77Å; P25-G125 CarbonylContact C-O 3.59Å; P25-G125 VanDerWaalsContact C-O 3.28Å; P25-G125 WeakPolarHBondContact CA-O 3.5Å; P25-V127 HydrophobicContact CB-CG1 3.89Å
26P90.3Very high94.3Very high79 Ų7923.6 Ų23.651%0.51315%0.149SC..THydrogen-bonded Turntrans-58.9144.6170.927.7-35.3000110.2S28 G125P26-S28 VanDerWaalsContact C-N 3.26Å; P26-S28 PolarHBondContact O-N 3.05Å; P26-G125 WeakPolarHBondContact CD-O 3.25Å
27G90.4Very high94.6Very high57 Ų5719.2 Ų19.259%0.58813%0.129SC*.THydrogen-bonded Turntrans75.2-4.2178.900000116.8G29 K223G27-G29 PolarHBondContact O-N 2.73Å; G27-G29 VanDerWaalsContact O-N 3.16Å; G27-K223 VanDerWaalsContact O-CE 3.25Å; G27-K223 WeakPolarHBondContact O-CE 3.38Å; G27-K223 PolarHBondContact O-NZ 3.47Å
28S91.9Very high94.6Very high1 Ų119.9 Ų19.91%0.00713%0.131CC..SBendtrans-74.83.4-179.174.20000115.7P25 P26 L187 S222P25-S28 PolarHBondContact O-N 3.13Å; P25-S28 PolarHBondContact O-OG 2.83Å; P25-S28 VanDerWaalsContact O-OG 3.11Å; P26-S28 VanDerWaalsContact C-N 3.26Å; P26-S28 PolarHBondContact O-N 3.05Å; S28-L187 WeakPolarHBondContact CB-O 3.35Å; S28-L187 PolarHBondContact OG-O 3.11Å; S28-S222 WeakPolarHBondContact O-CB 3.4Å; S28-S222 PolarHBondContact O-OG 3.24Å
29G92.8Very high94.5Very high15 Ų1520.3 Ų20.316%0.15514%0.137CC..  trans86.612.217300000116.4G27 T31 T32 Y33G27-G29 PolarHBondContact O-N 2.73Å; G27-G29 VanDerWaalsContact O-N 3.16Å; G29-T31 PolarHBondContact O-N 2.77Å; G29-T32 WeakPolarHBondContact O-CB 3.36Å; G29-T32 PolarHBondContact O-N 3.4Å; G29-T32 VanDerWaalsContact O-N 3.09Å; G29-Y33 PolarHBondContact O-N 3.33Å
30K94.7Very high94.4Very high11 Ų1121.4 Ų21.45%0.04814%0.141CC..Hα-helixtrans-42.2-60.6177.2-66.4-175.2-64.7-64.30113.8V22 G24 P25 T32 Y33 C34 L123 G125V22-K30 HydrophobicContact CG1-CB 3.83Å; V22-K30 HydrophobicContact CG1-CG 3.99Å; G24-K30 WeakPolarHBondContact O-CE 3.32Å; G24-K30 PolarHBondContact O-NZ 3.39Å; P25-K30 PolarHBondContact O-NZ 2.77Å; K30-T32 VanDerWaalsContact C-N 3.28Å; K30-T32 PolarHBondContact O-N 3.23Å; K30-Y33 CarbonylContact O-C 3.55Å; K30-Y33 WeakPolarHBondContact O-CA 3.28Å; K30-Y33 WeakPolarHBondContact O-CB 3.43Å; K30-Y33 PolarHBondContact O-N 2.88Å; K30-Y33 VanDerWaalsContact O-N 3.09Å; K30-C34 PolarHBondContact O-N 3.34Å; K30-C34 PolarHBondContact O-SG 3.3Å; K30-L123 WeakPolarHBondContact CE-O 3.39Å; K30-G125 VanDerWaalsContact NZ-CA 3.31Å
31T95Very high94.1Very high28 Ų2821.4 Ų21.417%0.17214%0.141CC..Hα-helixtrans-59.7-36.8-178.6-41.70000112.5G29 C34 A35 P61 Y62 D122G29-T31 PolarHBondContact O-N 2.77Å; T31-C34 WeakPolarHBondContact O-CB 3.38Å; T31-C34 PolarHBondContact O-N 2.87Å; T31-A35 PolarHBondContact O-N 2.96Å; T31-A35 VanDerWaalsContact O-N 3.12Å; T31-P61 HydrophobicContact CG2-CG 3.87Å; T31-Y62 HydrophobicContact CG2-CD1 4.5Å; T31-Y62 HydrophobicContact CG2-CE1 3.7Å; T31-D122 WeakPolarHBondContact CA-OD2 3.3Å; T31-D122 WeakPolarHBondContact CB-OD2 3.44Å; T31-D122 WeakPolarHBondContact CG2-OD2 3.24Å; T31-D122 PolarHBondContact OG1-OD2 3.4Å
32T94.5Very high93.9Very high69 Ų6924.6 Ų24.642%0.42316%0.161SC..Hα-helixtrans-68.2-43.2175.5-41.10000111.5G29 K30 A35 V36 I293G29-T32 WeakPolarHBondContact O-CB 3.36Å; G29-T32 PolarHBondContact O-N 3.4Å; G29-T32 VanDerWaalsContact O-N 3.09Å; K30-T32 VanDerWaalsContact C-N 3.28Å; K30-T32 PolarHBondContact O-N 3.23Å; T32-A35 PolarHBondContact O-N 3.48Å; T32-V36 PolarHBondContact O-N 3.25Å; T32-I293 HydrophobicContact CG2-CD1 3.95Å; T32-I293 HydrophobicContact CG2-CG2 4.27Å
33Y96.1Very high93.6Very high4 Ų432.1 Ų32.12%0.01619%0.193CC..Hα-helixtrans-62.2-43.2172.6169.1-96.2000111.4Q20 V22 G29 K30 A35 V36 M37 V185 L187 I220 L291 V302Q20-Y33 PolarHBondContact OE1-OH 2.86Å; V22-Y33 HydrophobicContact CG1-CD1 3.81Å; V22-Y33 HydrophobicContact CG1-CE1 4.33Å; V22-Y33 HydrophobicContact CG2-CD1 4.01Å; V22-Y33 HydrophobicContact CG2-CE1 3.88Å; G29-Y33 PolarHBondContact O-N 3.33Å; K30-Y33 CarbonylContact O-C 3.55Å; K30-Y33 WeakPolarHBondContact O-CA 3.28Å; K30-Y33 WeakPolarHBondContact O-CB 3.43Å; K30-Y33 PolarHBondContact O-N 2.88Å; K30-Y33 VanDerWaalsContact O-N 3.09Å; Y33-A35 VanDerWaalsContact C-N 3.3Å; Y33-A35 PolarHBondContact O-N 3.04Å; Y33-V36 PolarHBondContact O-N 3.46Å; Y33-M37 HydrophobicContact CD2-CB 4.5Å; Y33-M37 HydrophobicContact CE1-CB 4.31Å; Y33-M37 HydrophobicContact CE1-CG 4.47Å; Y33-M37 HydrophobicContact CE2-CB 4.22Å; Y33-M37 HydrophobicContact CE2-CE 3.74Å; Y33-M37 WeakPolarHBondContact O-CB 3.4Å; Y33-M37 PolarHBondContact O-N 3.23Å; Y33-M37 WeakPolarHBondContact OH-CE 3.41Å; Y33-V185 HydrophobicContact CE1-CG1 3.93Å; Y33-L187 HydrophobicContact CD1-CD1 4.02Å; Y33-L187 HydrophobicContact CD1-CD2 4.41Å; Y33-L187 HydrophobicContact CD2-CD2 4.17Å; Y33-L187 HydrophobicContact CE1-CD1 4.49Å; Y33-L187 HydrophobicContact CG-CD1 4.23Å; Y33-L187 HydrophobicContact CG-CD2 3.79Å; Y33-I220 HydrophobicContact CE2-CD1 4.47Å; Y33-L291 HydrophobicContact CD2-CD2 3.66Å; Y33-L291 HydrophobicContact CE2-CD2 4.23Å; Y33-V302 HydrophobicContact CE2-CG1 3.84Å; Y33-V302 VanDerWaalsContact OH-CG1 3.27Å; Y33-V302 WeakPolarHBondContact OH-CG1 3.45Å
34C96.4Very high93.2Very high0 Ų036.5 Ų36.50%022%0.217CC..Hα-helixtrans-56.1-43.6175.3-70.40000111.8K30 T31 H38 V50 Y62 I120 D122K30-C34 PolarHBondContact O-N 3.34Å; K30-C34 PolarHBondContact O-SG 3.3Å; T31-C34 WeakPolarHBondContact O-CB 3.38Å; T31-C34 PolarHBondContact O-N 2.87Å; C34-H38 WeakPolarHBondContact O-CB 3.48Å; C34-H38 PolarHBondContact O-N 2.93Å; C34-V50 HydrophobicContact CB-CG1 4.3Å; C34-Y62 HydrophobicContact CB-CD1 3.92Å; C34-Y62 HydrophobicContact CB-CE1 3.65Å; C34-I120 HydrophobicContact CB-CG2 4.15Å; C34-D122 HydrophobicContact CB-CB 4.49Å; C34-D122 VanDerWaalsContact SG-CG 3.52Å; C34-D122 PolarHBondContact SG-OD1 3.16Å; C34-D122 VanDerWaalsContact SG-OD1 3.33Å
35A95.7Very high92.8Very high13 Ų1339.5 Ų39.511%0.10725%0.247CC..Hα-helixtrans-65.9-49.8175.500000113T31 T32 Y33 H38 D39 P61 Y62T31-A35 PolarHBondContact O-N 2.96Å; T31-A35 VanDerWaalsContact O-N 3.12Å; T32-A35 PolarHBondContact O-N 3.48Å; Y33-A35 VanDerWaalsContact C-N 3.3Å; Y33-A35 PolarHBondContact O-N 3.04Å; A35-H38 WeakPolarHBondContact O-CB 3.4Å; A35-H38 PolarHBondContact O-N 2.81Å; A35-D39 WeakPolarHBondContact O-CB 3.32Å; A35-D39 PolarHBondContact O-N 3.06Å; A35-P61 HydrophobicContact CB-CB 4.25Å; A35-P61 HydrophobicContact CB-CG 4.09Å; A35-Y62 HydrophobicContact CB-CD1 4.07Å
36V95.7Very high92.7Very high45 Ų4539.7 Ų39.727%0.27325%0.246SC..Hα-helixtrans-71.7-36.6-175.1173.40000111.9T32 Y33 D39 F40 I293 I299T32-V36 PolarHBondContact O-N 3.25Å; Y33-V36 PolarHBondContact O-N 3.46Å; V36-D39 PolarHBondContact O-N 2.93Å; V36-F40 WeakPolarHBondContact O-CB 3.41Å; V36-F40 PolarHBondContact O-N 2.99Å; V36-I293 HydrophobicContact CB-CG2 4.21Å; V36-I293 HydrophobicContact CG1-CG2 4.27Å; V36-I293 HydrophobicContact CG2-CG2 3.71Å; V36-I299 HydrophobicContact CG1-CD1 3.45Å; V36-I299 VanDerWaalsContact CG1-CD1 3.45Å; V36-I299 HydrophobicContact CG1-CG1 4.29Å
37M95.8Very high92.9Very high0 Ų041.7 Ų41.70%025%0.247CC..Hα-helixtrans-68-41.5172.7-175.954.170.500111.6Y33 D39 F40 L41 I120 I299 V302 M303Y33-M37 HydrophobicContact CD2-CB 4.5Å; Y33-M37 HydrophobicContact CE1-CB 4.31Å; Y33-M37 HydrophobicContact CE1-CG 4.47Å; Y33-M37 HydrophobicContact CE2-CB 4.22Å; Y33-M37 HydrophobicContact CE2-CE 3.74Å; Y33-M37 WeakPolarHBondContact O-CB 3.4Å; Y33-M37 PolarHBondContact O-N 3.23Å; Y33-M37 WeakPolarHBondContact OH-CE 3.41Å; M37-D39 PolarHBondContact O-N 2.89Å; M37-F40 PolarHBondContact O-N 3.37Å; M37-F40 HydrophobicContact SD-CD1 4.34Å; M37-L41 HydrophobicContact CG-CD1 3.79Å; M37-L41 HydrophobicContact CG-CG 4.3Å; M37-L41 WeakPolarHBondContact O-CB 3.34Å; M37-L41 WeakPolarHBondContact O-CD1 3.2Å; M37-L41 WeakPolarHBondContact O-CG 3.46Å; M37-L41 PolarHBondContact O-N 2.89Å; M37-L41 HydrophobicContact SD-CD1 3.82Å; M37-L41 HydrophobicContact SD-CD2 4.24Å; M37-L41 HydrophobicContact SD-CG 3.77Å; M37-I120 HydrophobicContact CB-CD1 4.27Å; M37-I120 HydrophobicContact CG-CD1 4.01Å; M37-I299 HydrophobicContact CE-CG2 3.81Å; M37-I299 HydrophobicContact SD-CG2 4.46Å; M37-V302 HydrophobicContact CE-CB 4.5Å; M37-V302 HydrophobicContact CE-CG1 4.06Å; M37-M303 HydrophobicContact CE-CB 4.17Å; M37-M303 HydrophobicContact SD-CB 4.28Å
38H95.6Very high93.1Very high19 Ų1940 Ų409%0.08823%0.225CC..Hα-helixtrans-53.5-54.6170.4163.7-86.6000111C34 A35 F40 L41 V42 V50 P63 I120C34-H38 WeakPolarHBondContact O-CB 3.48Å; C34-H38 PolarHBondContact O-N 2.93Å; A35-H38 WeakPolarHBondContact O-CB 3.4Å; A35-H38 PolarHBondContact O-N 2.81Å; H38-F40 VanDerWaalsContact C-N 3.33Å; H38-F40 PolarHBondContact O-N 3.39Å; H38-L41 PolarHBondContact O-N 3.36Å; H38-V42 WeakPolarHBondContact O-CB 3.33Å; H38-V42 WeakPolarHBondContact O-CG2 3.35Å; H38-V42 PolarHBondContact O-N 3.12Å; H38-V50 HydrophobicContact CB-CG2 3.82Å; H38-P63 WeakPolarHBondContact CE1-CG 3.42Å; H38-P63 WeakPolarHBondContact NE2-CG 3.38Å; H38-I120 HydrophobicContact CB-CD1 4.26Å
39D93.8Very high93.4Very high69 Ų6940.1 Ų40.137%0.36923%0.226SC..Hα-helixtrans-64.3-37.5-176.4-96.937.5000112.8A35 V36 M37 K43A35-D39 WeakPolarHBondContact O-CB 3.32Å; A35-D39 PolarHBondContact O-N 3.06Å; V36-D39 PolarHBondContact O-N 2.93Å; M37-D39 PolarHBondContact O-N 2.89Å; D39-K43 WeakPolarHBondContact O-CB 3.38Å; D39-K43 WeakPolarHBondContact O-CD 3.47Å; D39-K43 WeakPolarHBondContact O-CG 3.45Å; D39-K43 PolarHBondContact O-N 3.15Å; D39-K43 IonicContact OD2-NZ 2.65Å; D39-K43 PolarHBondContact OD2-NZ 3.47Å
40F93.4Very high93.6Very high22 Ų2239.4 Ų39.410%0.09622%0.218CC..Hα-helixtrans-63.6-51.8175-178-106000111.5V36 M37 H38 V42 K43 L44 L296 I299 E300 M303V36-F40 WeakPolarHBondContact O-CB 3.41Å; V36-F40 PolarHBondContact O-N 2.99Å; M37-F40 PolarHBondContact O-N 3.37Å; M37-F40 HydrophobicContact SD-CD1 4.34Å; H38-F40 VanDerWaalsContact C-N 3.33Å; H38-F40 PolarHBondContact O-N 3.39Å; F40-V42 VanDerWaalsContact C-N 3.33Å; F40-V42 PolarHBondContact O-N 2.87Å; F40-K43 WeakPolarHBondContact O-CB 3.24Å; F40-K43 PolarHBondContact O-N 3.34Å; F40-K43 VanDerWaalsContact O-N 3.14Å; F40-L44 HydrophobicContact CD1-CD1 4.01Å; F40-L44 HydrophobicContact CE1-CD1 3.56Å; F40-L44 HydrophobicContact CE1-CG 4.41Å; F40-L44 HydrophobicContact CZ-CD1 3.96Å; F40-L44 WeakPolarHBondContact O-CG 3.5Å; F40-L44 PolarHBondContact O-N 2.68Å; F40-L296 HydrophobicContact CD2-CD2 4.13Å; F40-L296 HydrophobicContact CE2-CD2 4.46Å; F40-I299 HydrophobicContact CB-CG2 3.9Å; F40-I299 HydrophobicContact CD1-CG2 3.66Å; F40-I299 HydrophobicContact CD2-CG2 4.02Å; F40-I299 HydrophobicContact CE1-CG2 4.15Å; F40-I299 HydrophobicContact CE2-CG2 4.48Å; F40-I299 HydrophobicContact CG-CG2 3.58Å; F40-E300 HydrophobicContact CE1-CB 4.27Å; F40-E300 HydrophobicContact CE1-CG 4.36Å; F40-E300 HydrophobicContact CZ-CB 3.7Å; F40-E300 HydrophobicContact CZ-CG 3.9Å; F40-M303 HydrophobicContact CD1-SD 4.27Å; F40-M303 HydrophobicContact CE1-CB 4.32Å; F40-M303 HydrophobicContact CE1-CE 4.24Å; F40-M303 HydrophobicContact CE1-SD 3.75Å
41L91.6Very high93.8Very high0 Ų038.9 Ų38.90%022%0.216CC..Hα-helixtrans-62.8-37.5178.9-68.5169.3000112.4M37 H38 L44 G45 R46 V48 Y118 I120 M303M37-L41 HydrophobicContact CG-CD1 3.79Å; M37-L41 HydrophobicContact CG-CG 4.3Å; M37-L41 WeakPolarHBondContact O-CB 3.34Å; M37-L41 WeakPolarHBondContact O-CD1 3.2Å; M37-L41 WeakPolarHBondContact O-CG 3.46Å; M37-L41 PolarHBondContact O-N 2.89Å; M37-L41 HydrophobicContact SD-CD1 3.82Å; M37-L41 HydrophobicContact SD-CD2 4.24Å; M37-L41 HydrophobicContact SD-CG 3.77Å; H38-L41 PolarHBondContact O-N 3.36Å; L41-L44 CarbonylContact O-C 3.55Å; L41-L44 WeakPolarHBondContact O-CB 3.28Å; L41-L44 PolarHBondContact O-N 2.86Å; L41-G45 PolarHBondContact O-N 3.18Å; L41-R46 HydrophobicContact CB-CB 4.48Å; L41-R46 WeakPolarHBondContact O-CB 3.23Å; L41-R46 PolarHBondContact O-N 3.08Å; L41-V48 HydrophobicContact CB-CG2 3.56Å; L41-V48 HydrophobicContact CD1-CG2 4.17Å; L41-Y118 HydrophobicContact CD1-CD1 4.04Å; L41-Y118 HydrophobicContact CD1-CE1 3.96Å; L41-I120 HydrophobicContact CD1-CD1 4.1Å; L41-M303 HydrophobicContact CD2-CG 3.92Å; L41-M303 HydrophobicContact CD2-SD 3.59Å; L41-M303 VanDerWaalsContact CD2-SD 3.59Å
42V91.3Very high93.9Very high69 Ų6937.6 Ų37.642%0.41821%0.208SC..Hα-helixtrans-67.7-37.3174.1168.90000111.6H38 F40 L44 G45 V48H38-V42 WeakPolarHBondContact O-CB 3.33Å; H38-V42 WeakPolarHBondContact O-CG2 3.35Å; H38-V42 PolarHBondContact O-N 3.12Å; F40-V42 VanDerWaalsContact C-N 3.33Å; F40-V42 PolarHBondContact O-N 2.87Å; V42-L44 VanDerWaalsContact C-N 3.3Å; V42-L44 PolarHBondContact O-N 3.47Å; V42-G45 WeakPolarHBondContact O-CA 3.23Å; V42-G45 PolarHBondContact O-N 2.87Å; V42-V48 HydrophobicContact CG2-CB 4.24Å; V42-V48 HydrophobicContact CG2-CG2 4.08Å
43K90Very high93.9Very high157 Ų15734.3 Ų34.368%0.68319%0.188SC*.Hα-helixtrans-65.7-31.3172.3-72.3158.3-164.6159.50112.4D39 F40 G45D39-K43 WeakPolarHBondContact O-CB 3.38Å; D39-K43 WeakPolarHBondContact O-CD 3.47Å; D39-K43 WeakPolarHBondContact O-CG 3.45Å; D39-K43 PolarHBondContact O-N 3.15Å; D39-K43 IonicContact OD2-NZ 2.65Å; D39-K43 PolarHBondContact OD2-NZ 3.47Å; F40-K43 WeakPolarHBondContact O-CB 3.24Å; F40-K43 PolarHBondContact O-N 3.34Å; F40-K43 VanDerWaalsContact O-N 3.14Å; K43-G45 PolarHBondContact O-N 3.32Å
44L87.4Confident93.7Very high93 Ų9335 Ų3549%0.48719%0.192SC..THydrogen-bonded Turntrans-73.80.2168.3-64.8177.5000113.8F40 L41 V42 R46 M303F40-L44 HydrophobicContact CD1-CD1 4.01Å; F40-L44 HydrophobicContact CE1-CD1 3.56Å; F40-L44 HydrophobicContact CE1-CG 4.41Å; F40-L44 HydrophobicContact CZ-CD1 3.96Å; F40-L44 WeakPolarHBondContact O-CG 3.5Å; F40-L44 PolarHBondContact O-N 2.68Å; L41-L44 CarbonylContact O-C 3.55Å; L41-L44 WeakPolarHBondContact O-CB 3.28Å; L41-L44 PolarHBondContact O-N 2.86Å; V42-L44 VanDerWaalsContact C-N 3.3Å; V42-L44 PolarHBondContact O-N 3.47Å; L44-R46 VanDerWaalsContact C-N 3.33Å; L44-R46 PolarHBondContact O-N 3.38Å; L44-M303 HydrophobicContact CD1-CE 3.92Å; L44-M303 HydrophobicContact CD1-SD 3.47Å; L44-M303 WeakPolarHBondContact CD1-SD 3.3Å
45G85.3Confident93.4Very high63 Ų6335.7 Ų35.765%0.64920%0.196SC*.THydrogen-bonded Turntrans80.65.8177.800000115.1L41 V42 K43L41-G45 PolarHBondContact O-N 3.18Å; V42-G45 WeakPolarHBondContact O-CA 3.23Å; V42-G45 PolarHBondContact O-N 2.87Å; K43-G45 PolarHBondContact O-N 3.32Å
46R89.6Confident93Very high19 Ų1937.2 Ų37.27%0.07221%0.209CC..  trans-72.1150.2175.6-64.6176.2173.1-172.16.3110.6L41 L44 V48 D307 Y312 E318L41-R46 HydrophobicContact CB-CB 4.48Å; L41-R46 WeakPolarHBondContact O-CB 3.23Å; L41-R46 PolarHBondContact O-N 3.08Å; L44-R46 VanDerWaalsContact C-N 3.33Å; L44-R46 PolarHBondContact O-N 3.38Å; R46-V48 HydrophobicContact CB-CG2 4.41Å; R46-D307 IonicContact CZ-OD2 2.82Å; R46-D307 IonicContact NH1-OD1 3.29Å; R46-D307 PolarHBondContact NH1-OD1 3.26Å; R46-D307 IonicContact NH1-OD2 3.07Å; R46-D307 PolarHBondContact NH1-OD2 3.18Å; R46-D307 IonicContact NH2-OD2 3.54Å; R46-D307 PolarHBondContact NH2-OD2 3Å; R46-Y312 VanDerWaalsContact NH2-CE1 3.32Å; R46-E318 IonicContact CZ-OE1 2.68Å; R46-E318 IonicContact NE-OE1 3.17Å; R46-E318 PolarHBondContact NE-OE1 3.3Å; R46-E318 IonicContact NH2-OE1 3.25Å; R46-E318 PolarHBondContact NH2-OE1 3.38Å; R46-E318 IonicContact NH2-OE2 2.77Å
47K93.7Very high92.4Very high122 Ų12236.8 Ų36.853%0.5321%0.205SC..  trans-85.3122.9170.3-66.1-61.4-170.7179.70108.7D114 I117 Y118K47-D114 WeakPolarHBondContact CD-OD1 3.24Å; K47-D114 WeakPolarHBondContact CE-OD1 3.41Å; K47-I117 HydrophobicContact CB-CB 4.48Å; K47-I117 HydrophobicContact CB-CG1 4.33Å; K47-Y118 WeakPolarHBondContact O-CB 3.21Å; K47-Y118 PolarHBondContact O-N 3.15Å
48V95.8Very high91.6Very high21 Ų2144.1 Ų44.113%0.12725%0.245CC..EExtended strand (participates in β ladder)trans-128.6145-176.4-169.40000110.1L41 V42 R46 Y118 I120L41-V48 HydrophobicContact CB-CG2 3.56Å; L41-V48 HydrophobicContact CD1-CG2 4.17Å; V42-V48 HydrophobicContact CG2-CB 4.24Å; V42-V48 HydrophobicContact CG2-CG2 4.08Å; R46-V48 HydrophobicContact CB-CG2 4.41Å; V48-Y118 CarbonylContact C-O 3.57Å; V48-Y118 WeakPolarHBondContact CA-O 3.4Å; V48-I120 HydrophobicContact CG1-CD1 3.81Å; V48-I120 HydrophobicContact CG1-CG1 4.02Å
49A97.4Very high91.1Very high3 Ų347.8 Ų47.83%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-125.313516300000109.2I51 A65 L110 I117 Y118 L119 I120A49-I51 HydrophobicContact CB-CD1 4.36Å; A49-A65 HydrophobicContact CB-CB 3.64Å; A49-L110 HydrophobicContact CB-CD1 3.69Å; A49-I117 HydrophobicContact CB-CD1 3.6Å; A49-I117 HydrophobicContact CB-CG1 4.09Å; A49-Y118 PolarHBondContact N-O 2.71Å; A49-L119 HydrophobicContact CB-CD2 4.39Å; A49-I120 PolarHBondContact O-N 3.03Å
50V97.8Very high90.9Very high0 Ų047 Ų470%027%0.268CS..EExtended strand (participates in β ladder)trans-97.5131.2167.2-164.60000108.9C34 H38 Y62 A65 I120C34-V50 HydrophobicContact CB-CG1 4.3Å; H38-V50 HydrophobicContact CB-CG2 3.82Å; V50-Y62 HydrophobicContact CB-CD2 3.72Å; V50-Y62 HydrophobicContact CB-CE2 3.9Å; V50-Y62 HydrophobicContact CB-CG 4.28Å; V50-Y62 HydrophobicContact CG1-CD1 4.23Å; V50-Y62 HydrophobicContact CG1-CD2 3.61Å; V50-Y62 HydrophobicContact CG1-CE1 4.01Å; V50-Y62 HydrophobicContact CG1-CE2 3.37Å; V50-Y62 HydrophobicContact CG1-CG 4.05Å; V50-Y62 HydrophobicContact CG2-CD2 4.15Å; V50-Y62 HydrophobicContact CG2-CG 4.25Å; V50-A65 WeakPolarHBondContact O-CB 3.28Å; V50-A65 PolarHBondContact O-N 3.45Å; V50-I120 CarbonylContact C-O 3.23Å; V50-I120 WeakPolarHBondContact CA-O 3.37Å; V50-I120 HydrophobicContact CG1-CB 4.4Å; V50-I120 HydrophobicContact CG1-CG2 4.37Å; V50-I120 HydrophobicContact CG2-CB 4.49Å
51I97.5Very high90.8Very high0 Ų049.8 Ų49.80%029%0.289CS..EExtended strand (participates in β ladder)trans-113.9107.5179.5-6087.7000106.3A49 L53 I66 L103 L107 L119 I120 F121 D122A49-I51 HydrophobicContact CB-CD1 4.36Å; I51-L53 HydrophobicContact CG2-CD1 4.46Å; I51-L53 HydrophobicContact CG2-CD2 3.76Å; I51-L53 HydrophobicContact CG2-CG 3.86Å; I51-L53 PolarHBondContact O-N 3.38Å; I51-I66 CarbonylContact C-O 3.58Å; I51-I66 WeakPolarHBondContact CA-O 3.35Å; I51-I66 HydrophobicContact CB-CB 4.48Å; I51-I66 HydrophobicContact CG1-CB 4.21Å; I51-I66 HydrophobicContact CG1-CD1 4.01Å; I51-I66 HydrophobicContact CG1-CG1 4.41Å; I51-I66 HydrophobicContact CG2-CB 4.02Å; I51-I66 HydrophobicContact CG2-CG2 4.15Å; I51-L103 HydrophobicContact CG2-CD1 4.21Å; I51-L107 HydrophobicContact CD1-CD2 4.42Å; I51-L107 HydrophobicContact CG1-CD2 4.24Å; I51-L119 HydrophobicContact CD1-CB 4.01Å; I51-L119 HydrophobicContact CD1-CD2 4.07Å; I51-I120 WeakPolarHBondContact CD1-O 3.48Å; I51-I120 PolarHBondContact N-O 2.76Å; I51-F121 HydrophobicContact CB-CD1 3.71Å; I51-F121 HydrophobicContact CB-CE1 4.09Å; I51-F121 HydrophobicContact CB-CG 4.25Å; I51-F121 HydrophobicContact CD1-CD1 4.37Å; I51-F121 HydrophobicContact CD1-CD2 4.48Å; I51-F121 HydrophobicContact CD1-CE1 4.29Å; I51-F121 HydrophobicContact CD1-CE2 4.41Å; I51-F121 HydrophobicContact CD1-CG 4.48Å; I51-F121 HydrophobicContact CD1-CZ 4.32Å; I51-F121 HydrophobicContact CG1-CD1 4.2Å; I51-F121 HydrophobicContact CG1-CE1 4.11Å; I51-F121 HydrophobicContact CG2-CD1 3.68Å; I51-F121 HydrophobicContact CG2-CE1 3.94Å; I51-F121 WeakPolarHBondContact O-CA 3.34Å; I51-D122 PolarHBondContact O-N 3.07Å
52N96.8Very high90.8Very high1 Ų150.4 Ų50.41%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-80.1114.6173.1178.953.5000109.5D54 N57 L60 I66 N67 M68N52-D54 PolarHBondContact ND2-O 3.39Å; N52-D54 PolarHBondContact OD1-N 2.85Å; N52-D54 PolarHBondContact OD1-O 3.1Å; N52-N57 PolarHBondContact OD1-ND2 2.89Å; N52-L60 HydrophobicContact CB-CD1 4.09Å; N52-L60 HydrophobicContact CB-CD2 4.16Å; N52-I66 PolarHBondContact N-O 2.8Å; N52-N67 PolarHBondContact ND2-OD1 3.37Å; N52-M68 PolarHBondContact O-N 2.87Å
53L95.1Very high90.8Very high1 Ų151 Ų511%0.00530%0.297CS..  trans-113.212.6170.1-57.2-176.6000112.7I51 P55 M68 L96 L103 F121 D122 L123 P124 L139I51-L53 HydrophobicContact CG2-CD1 4.46Å; I51-L53 HydrophobicContact CG2-CD2 3.76Å; I51-L53 HydrophobicContact CG2-CG 3.86Å; I51-L53 PolarHBondContact O-N 3.38Å; L53-P55 WeakPolarHBondContact O-CD 3.35Å; L53-M68 HydrophobicContact CB-CE 3.94Å; L53-M68 HydrophobicContact CD2-CB 4.48Å; L53-M68 HydrophobicContact CD2-CE 4.14Å; L53-M68 VanDerWaalsContact O-CE 3.3Å; L53-M68 WeakPolarHBondContact O-CE 3.42Å; L53-L96 HydrophobicContact CD1-CD2 4.04Å; L53-L96 HydrophobicContact CD2-CD1 4.41Å; L53-L96 HydrophobicContact CD2-CD2 4.14Å; L53-L103 HydrophobicContact CD1-CD2 4.28Å; L53-L103 HydrophobicContact CD2-CD1 4.4Å; L53-F121 HydrophobicContact CD1-CD1 3.85Å; L53-F121 HydrophobicContact CD1-CE1 4.47Å; L53-F121 HydrophobicContact CG-CD1 4.41Å; L53-D122 WeakPolarHBondContact CA-O 3.35Å; L53-D122 PolarHBondContact N-O 3.02Å; L53-L123 HydrophobicContact CB-CD2 3.81Å; L53-L123 HydrophobicContact CD1-CD2 3.78Å; L53-L123 HydrophobicContact CG-CD2 4.2Å; L53-P124 WeakPolarHBondContact O-CD 3.28Å; L53-P124 WeakPolarHBondContact O-CG 3.34Å; L53-L139 HydrophobicContact CD1-CD2 4.38Å
54D92.8Very high91Very high17 Ų1745.7 Ų45.79%0.09128%0.278CS..  trans-88.4113.7164.7-164.2-21.5000109.7N52 A56 N57 D122 P124 G125N52-D54 PolarHBondContact ND2-O 3.39Å; N52-D54 PolarHBondContact OD1-N 2.85Å; N52-D54 PolarHBondContact OD1-O 3.1Å; D54-A56 PolarHBondContact O-N 2.98Å; D54-A56 WeakPolarHBondContact OD1-CB 3.31Å; D54-A56 PolarHBondContact OD1-N 3.17Å; D54-N57 HydrophobicContact CB-CB 4.3Å; D54-D122 PolarHBondContact N-O 2.68Å; D54-P124 HydrophobicContact CB-CB 4.45Å; D54-P124 VanDerWaalsContact OD2-CA 3.31Å; D54-P124 WeakPolarHBondContact OD2-CA 3.43Å; D54-G125 PolarHBondContact OD2-N 2.82Å
55P89.8Confident91.4Very high15 Ų1543.3 Ų43.310%0.09727%0.272CS..THydrogen-bonded Turntrans-76.6-2.2177.434.8-37.4000113.4L53 M68 L74 L89 C92L53-P55 WeakPolarHBondContact O-CD 3.35Å; P55-M68 HydrophobicContact CB-CG 4.3Å; P55-M68 HydrophobicContact CB-SD 3.67Å; P55-M68 HydrophobicContact CG-SD 3.89Å; P55-L74 HydrophobicContact CB-CB 4.22Å; P55-L74 WeakPolarHBondContact O-CB 3.31Å; P55-L89 HydrophobicContact CG-CD2 3.72Å; P55-C92 HydrophobicContact CB-CB 4.09Å; P55-C92 HydrophobicContact CG-CB 3.71Å
56A86.6Confident91.9Very high46 Ų4640.4 Ų40.438%0.3824%0.241SC..THydrogen-bonded Turntrans-101.68.4175.400000113.6D54 D58 L74 L89D54-A56 PolarHBondContact O-N 2.98Å; D54-A56 WeakPolarHBondContact OD1-CB 3.31Å; D54-A56 PolarHBondContact OD1-N 3.17Å; A56-D58 PolarHBondContact O-N 3.21Å; A56-L74 HydrophobicContact CB-CD2 3.81Å; A56-L89 HydrophobicContact CB-CD2 4.45Å
57N84.4Confident92.2Very high35 Ų3541 Ų4119%0.18725%0.246CC..  trans-88.387.9179.4-97.9-18.8000111.3N52 D54 S59 L60 D122N52-N57 PolarHBondContact OD1-ND2 2.89Å; D54-N57 HydrophobicContact CB-CB 4.3Å; N57-S59 VanDerWaalsContact C-N 3.34Å; N57-S59 PolarHBondContact O-N 2.83Å; N57-L60 HydrophobicContact CB-CD2 3.73Å; N57-D122 PolarHBondContact ND2-OD2 3.1Å
58D77.7Confident92.2Very high154 Ų15435.2 Ų35.282%0.82422%0.221SC*.SBendtrans-61.7-36.2179.9-60.4-31.2000114.1A56A56-D58 PolarHBondContact O-N 3.21Å
59S85.9Confident92Very high97 Ų9736.2 Ų36.268%0.67823%0.231SC*.SBendtrans-134.4115.8-173.567.60000111.4N57 P61N57-S59 VanDerWaalsContact C-N 3.34Å; N57-S59 PolarHBondContact O-N 2.83Å; S59-P61 WeakPolarHBondContact O-CD 3.39Å
60L89.6Confident91.8Very high51 Ų5141.1 Ų41.127%0.26726%0.257SS..  trans-94.7117.8-176.9-57.7179.5000110.9N52 N57 Y62 C64N52-L60 HydrophobicContact CB-CD1 4.09Å; N52-L60 HydrophobicContact CB-CD2 4.16Å; N57-L60 HydrophobicContact CB-CD2 3.73Å; L60-Y62 HydrophobicContact CB-CD2 4.35Å; L60-Y62 HydrophobicContact CB-CE2 4.15Å; L60-Y62 HydrophobicContact CD1-CE2 4.25Å; L60-Y62 HydrophobicContact CD2-CE2 4.14Å; L60-Y62 HydrophobicContact CG-CE2 4.42Å; L60-Y62 PolarHBondContact O-N 2.89Å; L60-C64 HydrophobicContact CD1-CB 3.53Å
61P90.3Very high91.6Very high82 Ų8242.9 Ų42.953%0.53227%0.266SS..SBendtrans-7911.4178.832.4-34.5000113.7T31 A35 S59T31-P61 HydrophobicContact CG2-CG 3.87Å; A35-P61 HydrophobicContact CB-CB 4.25Å; A35-P61 HydrophobicContact CB-CG 4.09Å; S59-P61 WeakPolarHBondContact O-CD 3.39Å
62Y91.9Very high91.4Very high12 Ų1243.6 Ų43.65%0.04727%0.27CS..SBendtrans-137.7157-175.549.9-113.9000111.6T31 C34 A35 V50 L60 C64 D122T31-Y62 HydrophobicContact CG2-CD1 4.5Å; T31-Y62 HydrophobicContact CG2-CE1 3.7Å; C34-Y62 HydrophobicContact CB-CD1 3.92Å; C34-Y62 HydrophobicContact CB-CE1 3.65Å; A35-Y62 HydrophobicContact CB-CD1 4.07Å; V50-Y62 HydrophobicContact CB-CD2 3.72Å; V50-Y62 HydrophobicContact CB-CE2 3.9Å; V50-Y62 HydrophobicContact CB-CG 4.28Å; V50-Y62 HydrophobicContact CG1-CD1 4.23Å; V50-Y62 HydrophobicContact CG1-CD2 3.61Å; V50-Y62 HydrophobicContact CG1-CE1 4.01Å; V50-Y62 HydrophobicContact CG1-CE2 3.37Å; V50-Y62 HydrophobicContact CG1-CG 4.05Å; V50-Y62 HydrophobicContact CG2-CD2 4.15Å; V50-Y62 HydrophobicContact CG2-CG 4.25Å; L60-Y62 HydrophobicContact CB-CD2 4.35Å; L60-Y62 HydrophobicContact CB-CE2 4.15Å; L60-Y62 HydrophobicContact CD1-CE2 4.25Å; L60-Y62 HydrophobicContact CD2-CE2 4.14Å; L60-Y62 HydrophobicContact CG-CE2 4.42Å; L60-Y62 PolarHBondContact O-N 2.89Å; Y62-C64 HydrophobicContact CD2-CB 4.25Å; Y62-C64 HydrophobicContact CE2-CB 4.12Å; Y62-C64 PolarHBondContact O-N 3.45Å; Y62-D122 WeakPolarHBondContact CE1-OD2 3.5Å; Y62-D122 VanDerWaalsContact OH-CB 3.28Å; Y62-D122 WeakPolarHBondContact OH-CB 3.32Å; Y62-D122 PolarHBondContact OH-OD2 2.9Å
63P91.9Very high91.1Very high83 Ų8345.4 Ų45.454%0.53928%0.283SS..  trans-70.195172.929.7-34.5000110.4H38 A65H38-P63 WeakPolarHBondContact CE1-CG 3.42Å; H38-P63 WeakPolarHBondContact NE2-CG 3.38Å; P63-A65 PolarHBondContact O-N 3.33Å
64C94.2Very high90.9Very high44 Ų4446.1 Ų46.130%0.29729%0.286SS..EExtended strand (participates in β ladder)trans-68.7129.3178.7-164.90000111.1L60 Y62 I66L60-C64 HydrophobicContact CD1-CB 3.53Å; Y62-C64 HydrophobicContact CD2-CB 4.25Å; Y62-C64 HydrophobicContact CE2-CB 4.12Å; Y62-C64 PolarHBondContact O-N 3.45Å; C64-I66 PolarHBondContact SG-O 3.35Å
65A95.8Very high90.9Very high43 Ų4350.4 Ų50.436%0.35531%0.309SS..EExtended strand (participates in β ladder)trans-95.5-27.5-179.700000113A49 V50 P63 L110A49-A65 HydrophobicContact CB-CB 3.64Å; V50-A65 WeakPolarHBondContact O-CB 3.28Å; V50-A65 PolarHBondContact O-N 3.45Å; P63-A65 PolarHBondContact O-N 3.33Å; A65-L110 HydrophobicContact CB-CD1 4.22Å; A65-L110 HydrophobicContact CB-CD2 4.3Å
66I96.1Very high90.9Very high2 Ų256 Ų561%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-147.4121.6177.3-59.2172000106.5I51 N52 C64 W102 L103 Q106 L107 L110I51-I66 CarbonylContact C-O 3.58Å; I51-I66 WeakPolarHBondContact CA-O 3.35Å; I51-I66 HydrophobicContact CB-CB 4.48Å; I51-I66 HydrophobicContact CG1-CB 4.21Å; I51-I66 HydrophobicContact CG1-CD1 4.01Å; I51-I66 HydrophobicContact CG1-CG1 4.41Å; I51-I66 HydrophobicContact CG2-CB 4.02Å; I51-I66 HydrophobicContact CG2-CG2 4.15Å; N52-I66 PolarHBondContact N-O 2.8Å; C64-I66 PolarHBondContact SG-O 3.35Å; I66-W102 HydrophobicContact CG2-CH2 3.46Å; I66-W102 VanDerWaalsContact CG2-CH2 3.46Å; I66-W102 HydrophobicContact CG2-CZ2 4.08Å; I66-W102 HydrophobicContact CG2-CZ3 4.01Å; I66-L103 HydrophobicContact CG2-CD1 4.19Å; I66-Q106 HydrophobicContact CD1-CB 3.53Å; I66-Q106 HydrophobicContact CG1-CB 3.89Å; I66-Q106 HydrophobicContact CG2-CB 4.14Å; I66-Q106 HydrophobicContact CG2-CG 4.36Å; I66-L107 HydrophobicContact CD1-CD2 3.78Å; I66-L107 HydrophobicContact CD1-CG 4.04Å; I66-L110 HydrophobicContact CD1-CD1 3.59Å; I66-L110 HydrophobicContact CD1-CG 4.29Å; I66-L110 HydrophobicContact CG1-CD1 4.01Å
67N95.5Very high91.2Very high32 Ų3254.3 Ų54.317%0.17132%0.319CS..EExtended strand (participates in β ladder)trans-114.5132.4179.8-169.84.1000111N52 A69 D70 W102N52-N67 PolarHBondContact ND2-OD1 3.37Å; N67-A69 PolarHBondContact O-N 2.86Å; N67-A69 PolarHBondContact OD1-N 2.85Å; N67-D70 PolarHBondContact N-OD2 3.41Å; N67-D70 WeakPolarHBondContact O-CB 3.31Å; N67-D70 PolarHBondContact O-N 3.29Å; N67-W102 WeakPolarHBondContact O-CH2 3.32Å
68M93.6Very high91.7Very high0 Ų054.8 Ų54.80%032%0.321CS..G310 helixtrans-58.2-30.8173.7175.4172.5-65.100112.6N52 L53 P55 D70 L71 I72 C92 M93 L96N52-M68 PolarHBondContact O-N 2.87Å; L53-M68 HydrophobicContact CB-CE 3.94Å; L53-M68 HydrophobicContact CD2-CB 4.48Å; L53-M68 HydrophobicContact CD2-CE 4.14Å; L53-M68 VanDerWaalsContact O-CE 3.3Å; L53-M68 WeakPolarHBondContact O-CE 3.42Å; P55-M68 HydrophobicContact CB-CG 4.3Å; P55-M68 HydrophobicContact CB-SD 3.67Å; P55-M68 HydrophobicContact CG-SD 3.89Å; M68-D70 PolarHBondContact O-N 3.32Å; M68-D70 VanDerWaalsContact O-N 3.13Å; M68-L71 WeakPolarHBondContact O-CA 3.29Å; M68-L71 WeakPolarHBondContact O-CB 3.44Å; M68-L71 PolarHBondContact O-N 3.28Å; M68-I72 HydrophobicContact CG-CG2 3.83Å; M68-I72 PolarHBondContact O-N 3.39Å; M68-I72 HydrophobicContact SD-CG2 4.15Å; M68-C92 HydrophobicContact SD-CB 4.34Å; M68-M93 HydrophobicContact CE-CE 3.93Å; M68-M93 HydrophobicContact CE-SD 3.72Å; M68-M93 HydrophobicContact SD-SD 4.19Å; M68-L96 HydrophobicContact CE-CB 3.85Å; M68-L96 HydrophobicContact CE-CD1 4.14Å; M68-L96 HydrophobicContact CE-CD2 3.54Å; M68-L96 HydrophobicContact CE-CG 4.01Å
69A92.2Very high92.4Very high42 Ų4254.1 Ų54.135%0.34732%0.317SS..G310 helixtrans-59.3-23.1175.800000113.3N67 L71N67-A69 PolarHBondContact O-N 2.86Å; N67-A69 PolarHBondContact OD1-N 2.85Å; A69-L71 PolarHBondContact O-N 2.9Å
70D92.5Very high92.8Very high107 Ų10758.9 Ų58.957%0.57232%0.322SS*.G310 helixtrans-70.5-11.1173.3-50.8-34.2000112.7N67 M68 W102N67-D70 PolarHBondContact N-OD2 3.41Å; N67-D70 WeakPolarHBondContact O-CB 3.31Å; N67-D70 PolarHBondContact O-N 3.29Å; M68-D70 PolarHBondContact O-N 3.32Å; M68-D70 VanDerWaalsContact O-N 3.13Å; D70-W102 HydrophobicContact CB-CZ2 4.06Å
71L93.1Very high93Very high36 Ų3659.1 Ų59.119%0.18832%0.323CS..THydrogen-bonded Turntrans-116.4-41.6179.6175.566.9000112.5M68 A69 Y95 L96 N99 W102M68-L71 WeakPolarHBondContact O-CA 3.29Å; M68-L71 WeakPolarHBondContact O-CB 3.44Å; M68-L71 PolarHBondContact O-N 3.28Å; A69-L71 PolarHBondContact O-N 2.9Å; L71-Y95 HydrophobicContact CD1-CD1 4.47Å; L71-Y95 HydrophobicContact CD1-CE1 3.86Å; L71-Y95 HydrophobicContact CD2-CD1 4.46Å; L71-Y95 HydrophobicContact CG-CD1 4.17Å; L71-Y95 HydrophobicContact CG-CE1 3.96Å; L71-L96 HydrophobicContact CD2-CD1 3.81Å; L71-N99 HydrophobicContact CD1-CB 4.22Å; L71-N99 HydrophobicContact CD2-CB 4.32Å; L71-W102 HydrophobicContact CB-CD2 4.15Å; L71-W102 HydrophobicContact CB-CE3 4.29Å; L71-W102 HydrophobicContact CB-CH2 4.31Å; L71-W102 HydrophobicContact CB-CZ2 4.16Å; L71-W102 HydrophobicContact CB-CZ3 4.37Å; L71-W102 HydrophobicContact CD1-CD2 4.46Å; L71-W102 HydrophobicContact CD1-CG 4.28Å; L71-W102 HydrophobicContact CD2-CD2 4.07Å; L71-W102 HydrophobicContact CD2-CE3 3.74Å; L71-W102 HydrophobicContact CD2-CZ3 4.21Å; L71-W102 HydrophobicContact CG-CD2 4.46Å
72I92.8Very high93.2Very high15 Ų1560.6 Ų60.68%0.07734%0.335CS..  trans-162.6131.9-177.7-168.8158000112.1M68 V77 Y91 C92 Y95M68-I72 HydrophobicContact CG-CG2 3.83Å; M68-I72 PolarHBondContact O-N 3.39Å; M68-I72 HydrophobicContact SD-CG2 4.15Å; I72-V77 HydrophobicContact CD1-CG2 3.52Å; I72-V77 HydrophobicContact CG1-CG2 3.56Å; I72-Y91 HydrophobicContact CD1-CD1 4.04Å; I72-Y91 HydrophobicContact CD1-CE1 3.84Å; I72-C92 HydrophobicContact CG2-CB 4.28Å; I72-Y95 HydrophobicContact CB-CD1 3.89Å; I72-Y95 HydrophobicContact CB-CE1 4.19Å; I72-Y95 HydrophobicContact CD1-CD1 3.45Å; I72-Y95 VanDerWaalsContact CD1-CD1 3.45Å; I72-Y95 HydrophobicContact CD1-CD2 4.28Å; I72-Y95 HydrophobicContact CD1-CE1 4.06Å; I72-Y95 HydrophobicContact CD1-CG 3.56Å; I72-Y95 HydrophobicContact CG1-CD1 4.27Å; I72-Y95 HydrophobicContact CG2-CD1 4.06Å
73C90.6Very high93.2Very high40 Ų4063 Ų6327%0.2735%0.348SS..  trans-102.4144.4175.6-64.80000111E76 V77C73-E76 HydrophobicContact CB-CB 4.31Å; C73-E76 HydrophobicContact CB-CG 3.96Å; C73-V77 WeakPolarHBondContact O-CG2 3.34Å; C73-V77 PolarHBondContact O-N 3.47Å
74L91.9Very high93.2Very high16 Ų1661.2 Ų61.28%0.08435%0.345CS..Hα-helixtrans-67.1-44.9-178.1177.960.5000112.8P55 A56 E76 V77 M78 L89P55-L74 HydrophobicContact CB-CB 4.22Å; P55-L74 WeakPolarHBondContact O-CB 3.31Å; A56-L74 HydrophobicContact CB-CD2 3.81Å; L74-E76 PolarHBondContact O-N 3.31Å; L74-V77 WeakPolarHBondContact O-CB 3.49Å; L74-V77 PolarHBondContact O-N 2.8Å; L74-M78 HydrophobicContact CD1-CG 4.16Å; L74-M78 HydrophobicContact CD1-SD 4.13Å; L74-M78 HydrophobicContact CD2-SD 4.4Å; L74-M78 HydrophobicContact CG-CG 4.4Å; L74-M78 HydrophobicContact CG-SD 3.92Å; L74-M78 WeakPolarHBondContact O-CG 3.48Å; L74-M78 PolarHBondContact O-N 3.3Å; L74-L89 HydrophobicContact CD1-CD2 4.48Å; L74-L89 HydrophobicContact CD1-CG 4.03Å; L74-L89 HydrophobicContact CD2-CD1 4.5Å; L74-L89 HydrophobicContact CD2-CD2 4.07Å; L74-L89 HydrophobicContact CD2-CG 3.94Å
75D92Very high93Very high107 Ų10762.5 Ų62.557%0.57235%0.353SS*.Hα-helixtrans-62.1-44.6-177.9-65.7-24.5000112V77 M78 D79D75-V77 PolarHBondContact O-N 2.96Å; D75-M78 PolarHBondContact O-N 3.39Å; D75-M78 VanDerWaalsContact O-N 3.13Å; D75-D79 PolarHBondContact O-N 3.07Å
76E90.9Very high92.7Very high132 Ų13264.1 Ų64.162%0.61736%0.356SS*.Hα-helixtrans-58.6-37.3176.7-63.4-174.7163.900111.9C73 L74 Y80C73-E76 HydrophobicContact CB-CB 4.31Å; C73-E76 HydrophobicContact CB-CG 3.96Å; L74-E76 PolarHBondContact O-N 3.31Å; E76-Y80 WeakPolarHBondContact O-CB 3.41Å; E76-Y80 PolarHBondContact O-N 2.94Å
77V92.7Very high92.4Very high10 Ų1065.5 Ų65.56%0.06137%0.371CS..Hα-helixtrans-69.7-43.5175.7168.50000111.5I72 C73 L74 D75 L81 L83 Y91I72-V77 HydrophobicContact CD1-CG2 3.52Å; I72-V77 HydrophobicContact CG1-CG2 3.56Å; C73-V77 WeakPolarHBondContact O-CG2 3.34Å; C73-V77 PolarHBondContact O-N 3.47Å; L74-V77 WeakPolarHBondContact O-CB 3.49Å; L74-V77 PolarHBondContact O-N 2.8Å; D75-V77 PolarHBondContact O-N 2.96Å; V77-L81 HydrophobicContact CG1-CD1 4.26Å; V77-L81 WeakPolarHBondContact O-CB 3.25Å; V77-L81 PolarHBondContact O-N 3.37Å; V77-L83 HydrophobicContact CG1-CD1 4.26Å; V77-Y91 HydrophobicContact CB-CD1 4.35Å; V77-Y91 HydrophobicContact CG1-CD1 3.47Å; V77-Y91 VanDerWaalsContact CG1-CD1 3.47Å; V77-Y91 HydrophobicContact CG1-CE1 4.2Å; V77-Y91 HydrophobicContact CG1-CG 4Å; V77-Y91 HydrophobicContact CG2-CD1 3.85Å; V77-Y91 HydrophobicContact CG2-CE1 4.05Å
78M93.5Very high92.3Very high45 Ų4564 Ų6422%0.22236%0.362CS..Hα-helixtrans-62.5-47.9178.9-74.4178.341.800111.3L74 D75 S82 L83 P85L74-M78 HydrophobicContact CD1-CG 4.16Å; L74-M78 HydrophobicContact CD1-SD 4.13Å; L74-M78 HydrophobicContact CD2-SD 4.4Å; L74-M78 HydrophobicContact CG-CG 4.4Å; L74-M78 HydrophobicContact CG-SD 3.92Å; L74-M78 WeakPolarHBondContact O-CG 3.48Å; L74-M78 PolarHBondContact O-N 3.3Å; D75-M78 PolarHBondContact O-N 3.39Å; D75-M78 VanDerWaalsContact O-N 3.13Å; M78-S82 CarbonylContact O-C 3.56Å; M78-S82 WeakPolarHBondContact O-CA 3.37Å; M78-S82 PolarHBondContact O-N 2.91Å; M78-L83 WeakPolarHBondContact CB-O 3.49Å; M78-L83 WeakPolarHBondContact CG-O 3.43Å; M78-L83 PolarHBondContact O-N 2.91Å; M78-L83 VanDerWaalsContact O-N 3.08Å; M78-P85 HydrophobicContact CE-CG 3.9Å; M78-P85 HydrophobicContact SD-CB 4.22Å; M78-P85 HydrophobicContact SD-CG 4.09Å
79D93.7Very high92.2Very high141 Ų14164.4 Ų64.475%0.75436%0.364SS*.Hα-helixtrans-65.6-50.6177.2-85-6.6000111.9D75 L81D75-D79 PolarHBondContact O-N 3.07Å; D79-L81 PolarHBondContact O-N 2.75Å
80Y93.8Very high92.2Very high197 Ų19765 Ų6577%0.77336%0.361SS*.Hα-helixtrans-69-34.4-173.4-175.5-101.9000113.5E76E76-Y80 WeakPolarHBondContact O-CB 3.41Å; E76-Y80 PolarHBondContact O-N 2.94Å
81L94Very high92.3Very high56 Ų5662.1 Ų62.129%0.29334%0.343SS..Hα-helixtrans-102.7-1.1-179.6-59.3-178.5000113.8V77 D79 L83 Y91V77-L81 HydrophobicContact CG1-CD1 4.26Å; V77-L81 WeakPolarHBondContact O-CB 3.25Å; V77-L81 PolarHBondContact O-N 3.37Å; D79-L81 PolarHBondContact O-N 2.75Å; L81-L83 VanDerWaalsContact C-N 3.26Å; L81-L83 HydrophobicContact CB-CD1 3.76Å; L81-L83 HydrophobicContact CB-CG 3.72Å; L81-L83 HydrophobicContact CD1-CD1 3.84Å; L81-L83 HydrophobicContact CG-CD1 4.46Å; L81-L83 PolarHBondContact O-N 2.88Å; L81-Y91 HydrophobicContact CD1-CD1 4.07Å; L81-Y91 HydrophobicContact CD1-CD2 3.71Å; L81-Y91 HydrophobicContact CD1-CE1 3.87Å; L81-Y91 HydrophobicContact CD1-CE2 3.49Å; L81-Y91 VanDerWaalsContact CD1-CE2 3.49Å; L81-Y91 HydrophobicContact CD1-CG 3.99Å
82S93.4Very high92.4Very high113 Ų11360.4 Ų60.479%0.7933%0.334SS*.THydrogen-bonded Turntrans54.241.2-173.4-57.30000112.9M78M78-S82 CarbonylContact O-C 3.56Å; M78-S82 WeakPolarHBondContact O-CA 3.37Å; M78-S82 PolarHBondContact O-N 2.91Å
83L92.4Very high92.4Very high61 Ų6159.7 Ų59.732%0.31933%0.33SS..  trans-95.8143.6-179.1-67.3175000111.5V77 M78 L81V77-L83 HydrophobicContact CG1-CD1 4.26Å; M78-L83 WeakPolarHBondContact CB-O 3.49Å; M78-L83 WeakPolarHBondContact CG-O 3.43Å; M78-L83 PolarHBondContact O-N 2.91Å; M78-L83 VanDerWaalsContact O-N 3.08Å; L81-L83 VanDerWaalsContact C-N 3.26Å; L81-L83 HydrophobicContact CB-CD1 3.76Å; L81-L83 HydrophobicContact CB-CG 3.72Å; L81-L83 HydrophobicContact CD1-CD1 3.84Å; L81-L83 HydrophobicContact CG-CD1 4.46Å; L81-L83 PolarHBondContact O-N 2.88Å
84G92.2Very high92.6Very high46 Ų4659.1 Ų59.147%0.47432%0.323SS..  trans-74.216316600000112.1N86 G87 G88G84-N86 PolarHBondContact O-N 3.22Å; G84-G87 WeakPolarHBondContact O-CA 3.33Å; G84-G87 PolarHBondContact O-N 3.46Å; G84-G88 PolarHBondContact O-N 2.87Å
85P89.4Confident92.7Very high71 Ų7161.8 Ų61.846%0.46133%0.333SS..Hα-helixtrans-49.4-49.5-169.6-30.735000115.5M78 G87 G88 L89M78-P85 HydrophobicContact CE-CG 3.9Å; M78-P85 HydrophobicContact SD-CB 4.22Å; M78-P85 HydrophobicContact SD-CG 4.09Å; P85-G87 VanDerWaalsContact C-N 3.27Å; P85-G87 PolarHBondContact O-N 2.91Å; P85-G88 PolarHBondContact O-N 3.45Å; P85-L89 WeakPolarHBondContact O-CB 3.33Å; P85-L89 WeakPolarHBondContact O-CG 3.36Å; P85-L89 PolarHBondContact O-N 3.28Å
86N89.4Confident92.9Very high78 Ų7856.7 Ų56.742%0.41731%0.306SS..Hα-helixtrans-66.4-29.5-179.3-65.121.7000112.6G84 I90G84-N86 PolarHBondContact O-N 3.22Å; N86-I90 WeakPolarHBondContact O-CD1 3.36Å; N86-I90 WeakPolarHBondContact O-CG1 3.5Å; N86-I90 PolarHBondContact O-N 3.46Å
87G90.9Very high93Very high31 Ų3153.1 Ų53.132%0.3229%0.287SS..Hα-helixtrans-74.1-41.3174.100000112.3G84 P85 I90 Y91G84-G87 WeakPolarHBondContact O-CA 3.33Å; G84-G87 PolarHBondContact O-N 3.46Å; P85-G87 VanDerWaalsContact C-N 3.27Å; P85-G87 PolarHBondContact O-N 2.91Å; G87-I90 PolarHBondContact O-N 3.42Å; G87-Y91 WeakPolarHBondContact O-CB 3.25Å; G87-Y91 PolarHBondContact O-N 3.49Å
88G92.8Very high93Very high0 Ų056.2 Ų56.20%031%0.306CS..Hα-helixtrans-61.1-45.1172.200000111.9G84 P85 I90 Y91 C92G84-G88 PolarHBondContact O-N 2.87Å; P85-G88 PolarHBondContact O-N 3.45Å; G88-I90 PolarHBondContact O-N 2.86Å; G88-Y91 WeakPolarHBondContact O-CB 3.46Å; G88-Y91 PolarHBondContact O-N 2.94Å; G88-Y91 VanDerWaalsContact O-N 3.17Å; G88-C92 PolarHBondContact O-N 3.39Å; G88-C92 PolarHBondContact O-SG 2.93Å
89L91.7Very high93.1Very high8 Ų856.4 Ų56.44%0.04231%0.308CS..Hα-helixtrans-59.4-44.8176.8-80.2163.3000112.7P55 A56 L74 P85 C92 M93 Q126P55-L89 HydrophobicContact CG-CD2 3.72Å; A56-L89 HydrophobicContact CB-CD2 4.45Å; L74-L89 HydrophobicContact CD1-CD2 4.48Å; L74-L89 HydrophobicContact CD1-CG 4.03Å; L74-L89 HydrophobicContact CD2-CD1 4.5Å; L74-L89 HydrophobicContact CD2-CD2 4.07Å; L74-L89 HydrophobicContact CD2-CG 3.94Å; P85-L89 WeakPolarHBondContact O-CB 3.33Å; P85-L89 WeakPolarHBondContact O-CG 3.36Å; P85-L89 PolarHBondContact O-N 3.28Å; L89-C92 PolarHBondContact O-N 3.15Å; L89-M93 WeakPolarHBondContact O-CG 3.34Å; L89-M93 PolarHBondContact O-N 3.38Å; L89-Q126 HydrophobicContact CD1-CG 3.65Å
90I92.7Very high93Very high54 Ų5453.6 Ų53.628%0.27729%0.287SS..Hα-helixtrans-59.5-49.4173.9-74.5167000110.2N86 G87 G88 C92 M93 E94 L129N86-I90 WeakPolarHBondContact O-CD1 3.36Å; N86-I90 WeakPolarHBondContact O-CG1 3.5Å; N86-I90 PolarHBondContact O-N 3.46Å; G87-I90 PolarHBondContact O-N 3.42Å; G88-I90 PolarHBondContact O-N 2.86Å; I90-C92 PolarHBondContact O-N 3.42Å; I90-M93 PolarHBondContact O-N 2.93Å; I90-E94 HydrophobicContact CG2-CG 4.3Å; I90-E94 WeakPolarHBondContact CG2-OE2 3.32Å; I90-E94 VanDerWaalsContact O-CG 3.31Å; I90-E94 WeakPolarHBondContact O-CG 3.35Å; I90-E94 PolarHBondContact O-N 3.19Å; I90-L129 HydrophobicContact CG1-CD2 4.08Å
91Y94.2Very high93Very high48 Ų4846.9 Ų46.919%0.18827%0.268CS..Hα-helixtrans-59.6-41.4178.9-177.3-87.4000112.7I72 V77 L81 G87 G88 M93 E94 Y95 L160I72-Y91 HydrophobicContact CD1-CD1 4.04Å; I72-Y91 HydrophobicContact CD1-CE1 3.84Å; V77-Y91 HydrophobicContact CB-CD1 4.35Å; V77-Y91 HydrophobicContact CG1-CD1 3.47Å; V77-Y91 VanDerWaalsContact CG1-CD1 3.47Å; V77-Y91 HydrophobicContact CG1-CE1 4.2Å; V77-Y91 HydrophobicContact CG1-CG 4Å; V77-Y91 HydrophobicContact CG2-CD1 3.85Å; V77-Y91 HydrophobicContact CG2-CE1 4.05Å; L81-Y91 HydrophobicContact CD1-CD1 4.07Å; L81-Y91 HydrophobicContact CD1-CD2 3.71Å; L81-Y91 HydrophobicContact CD1-CE1 3.87Å; L81-Y91 HydrophobicContact CD1-CE2 3.49Å; L81-Y91 VanDerWaalsContact CD1-CE2 3.49Å; L81-Y91 HydrophobicContact CD1-CG 3.99Å; G87-Y91 WeakPolarHBondContact O-CB 3.25Å; G87-Y91 PolarHBondContact O-N 3.49Å; G88-Y91 WeakPolarHBondContact O-CB 3.46Å; G88-Y91 PolarHBondContact O-N 2.94Å; G88-Y91 VanDerWaalsContact O-N 3.17Å; Y91-M93 PolarHBondContact O-N 2.95Å; Y91-E94 PolarHBondContact O-N 3.37Å; Y91-Y95 VanDerWaalsContact O-CB 3.25Å; Y91-Y95 WeakPolarHBondContact O-CB 3.44Å; Y91-Y95 PolarHBondContact O-N 3.31Å; Y91-L160 HydrophobicContact CE2-CD2 3.57Å; Y91-L160 HydrophobicContact CE2-CG 3.93Å
92C94.5Very high93Very high0 Ų046.7 Ų46.70%026%0.264CS..Hα-helixtrans-59.5-45.1175.8-69.40000112.1P55 M68 I72 G88 L89 I90 Y95 L96P55-C92 HydrophobicContact CB-CB 4.09Å; P55-C92 HydrophobicContact CG-CB 3.71Å; M68-C92 HydrophobicContact SD-CB 4.34Å; I72-C92 HydrophobicContact CG2-CB 4.28Å; G88-C92 PolarHBondContact O-N 3.39Å; G88-C92 PolarHBondContact O-SG 2.93Å; L89-C92 PolarHBondContact O-N 3.15Å; I90-C92 PolarHBondContact O-N 3.42Å; C92-Y95 PolarHBondContact O-N 3.28Å; C92-L96 PolarHBondContact O-N 3.46Å
93M94.3Very high93.1Very high0 Ų041.3 Ų41.30%023%0.226CC..Hα-helixtrans-68.3-39.3178-60-41.9-69.700112.1M68 L89 I90 Y91 Y95 L96 Y97 P124 L129 C135 M136 L139M68-M93 HydrophobicContact CE-CE 3.93Å; M68-M93 HydrophobicContact CE-SD 3.72Å; M68-M93 HydrophobicContact SD-SD 4.19Å; L89-M93 WeakPolarHBondContact O-CG 3.34Å; L89-M93 PolarHBondContact O-N 3.38Å; I90-M93 PolarHBondContact O-N 2.93Å; Y91-M93 PolarHBondContact O-N 2.95Å; M93-Y95 VanDerWaalsContact C-N 3.34Å; M93-L96 HydrophobicContact CE-CD2 4.06Å; M93-L96 WeakPolarHBondContact O-CB 2.95Å; M93-L96 PolarHBondContact O-N 3.25Å; M93-Y97 PolarHBondContact O-N 3.1Å; M93-P124 HydrophobicContact CE-CG 4.04Å; M93-P124 HydrophobicContact CG-CG 4.3Å; M93-P124 HydrophobicContact SD-CG 3.54Å; M93-P124 VanDerWaalsContact SD-CG 3.54Å; M93-L129 HydrophobicContact CG-CD1 4.29Å; M93-L129 HydrophobicContact CG-CD2 4.21Å; M93-C135 PolarHBondContact O-SG 3.36Å; M93-M136 HydrophobicContact CE-CE 4.24Å; M93-M136 HydrophobicContact CE-SD 3.54Å; M93-M136 VanDerWaalsContact CE-SD 3.54Å; M93-M136 HydrophobicContact CG-SD 4.38Å; M93-L139 HydrophobicContact CE-CD2 4.33Å
94E93.8Very high93.1Very high27 Ų2738.4 Ų38.413%0.12621%0.211CC..Hα-helixtrans-65.7-37.1176-70.3178.7140.900112.2I90 Y91 Y97 T98 H133 C135 L158I90-E94 HydrophobicContact CG2-CG 4.3Å; I90-E94 WeakPolarHBondContact CG2-OE2 3.32Å; I90-E94 VanDerWaalsContact O-CG 3.31Å; I90-E94 WeakPolarHBondContact O-CG 3.35Å; I90-E94 PolarHBondContact O-N 3.19Å; Y91-E94 PolarHBondContact O-N 3.37Å; E94-Y97 PolarHBondContact O-N 2.91Å; E94-T98 WeakPolarHBondContact O-CB 3.39Å; E94-T98 PolarHBondContact O-N 3.2Å; E94-T98 PolarHBondContact O-OG1 3Å; E94-H133 IonicContact OE1-CE1 2.77Å; E94-H133 PolarHBondContact OE1-CE1 2.88Å; E94-H133 IonicContact OE1-NE2 3.17Å; E94-C135 HydrophobicContact CG-CB 4.25Å; E94-L158 HydrophobicContact CB-CD2 3.56Å; E94-L158 HydrophobicContact CG-CD2 3.66Å; E94-L158 VanDerWaalsContact OE1-CD1 3.24Å; E94-L158 WeakPolarHBondContact OE1-CD1 3.28Å; E94-L158 VanDerWaalsContact OE1-CD2 3.31Å; E94-L158 WeakPolarHBondContact OE1-CD2 3.34Å; E94-L158 WeakPolarHBondContact OE2-CD2 3.49Å
95Y95.2Very high93.2Very high73 Ų7340.1 Ų40.129%0.28621%0.209SC..Hα-helixtrans-68.5-40.5173.3-169.8-97.9000111.9L71 I72 Y91 C92 M93 T98 N99L71-Y95 HydrophobicContact CD1-CD1 4.47Å; L71-Y95 HydrophobicContact CD1-CE1 3.86Å; L71-Y95 HydrophobicContact CD2-CD1 4.46Å; L71-Y95 HydrophobicContact CG-CD1 4.17Å; L71-Y95 HydrophobicContact CG-CE1 3.96Å; I72-Y95 HydrophobicContact CB-CD1 3.89Å; I72-Y95 HydrophobicContact CB-CE1 4.19Å; I72-Y95 HydrophobicContact CD1-CD1 3.45Å; I72-Y95 VanDerWaalsContact CD1-CD1 3.45Å; I72-Y95 HydrophobicContact CD1-CD2 4.28Å; I72-Y95 HydrophobicContact CD1-CE1 4.06Å; I72-Y95 HydrophobicContact CD1-CG 3.56Å; I72-Y95 HydrophobicContact CG1-CD1 4.27Å; I72-Y95 HydrophobicContact CG2-CD1 4.06Å; Y91-Y95 VanDerWaalsContact O-CB 3.25Å; Y91-Y95 WeakPolarHBondContact O-CB 3.44Å; Y91-Y95 PolarHBondContact O-N 3.31Å; C92-Y95 PolarHBondContact O-N 3.28Å; M93-Y95 VanDerWaalsContact C-N 3.34Å; Y95-T98 PolarHBondContact O-N 2.91Å; Y95-N99 WeakPolarHBondContact CE1-ND2 3.36Å; Y95-N99 WeakPolarHBondContact CE2-ND2 3.13Å; Y95-N99 WeakPolarHBondContact O-CB 3.36Å; Y95-N99 PolarHBondContact O-N 3.17Å; Y95-N99 PolarHBondContact O-ND2 3.44Å
96L95Very high93.5Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-58.2-48.8170176.875.4000110.9L53 M68 L71 C92 M93 T98 N99 R100 W102 L103 L139L53-L96 HydrophobicContact CD1-CD2 4.04Å; L53-L96 HydrophobicContact CD2-CD1 4.41Å; L53-L96 HydrophobicContact CD2-CD2 4.14Å; M68-L96 HydrophobicContact CE-CB 3.85Å; M68-L96 HydrophobicContact CE-CD1 4.14Å; M68-L96 HydrophobicContact CE-CD2 3.54Å; M68-L96 HydrophobicContact CE-CG 4.01Å; L71-L96 HydrophobicContact CD2-CD1 3.81Å; C92-L96 PolarHBondContact O-N 3.46Å; M93-L96 HydrophobicContact CE-CD2 4.06Å; M93-L96 WeakPolarHBondContact O-CB 2.95Å; M93-L96 PolarHBondContact O-N 3.25Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 3.22Å; L96-N99 CarbonylContact O-C 3.51Å; L96-N99 VanDerWaalsContact O-C 3.23Å; L96-N99 PolarHBondContact O-N 3.19Å; L96-R100 VanDerWaalsContact O-CA 3.31Å; L96-R100 WeakPolarHBondContact O-CA 3.33Å; L96-R100 PolarHBondContact O-N 3.5Å; L96-W102 HydrophobicContact CD1-CE3 4.1Å; L96-W102 HydrophobicContact CD1-CZ3 4.01Å; L96-L103 HydrophobicContact CD1-CB 4.41Å; L96-L103 HydrophobicContact CD1-CD2 4.44Å; L96-L139 HydrophobicContact CD2-CD1 4.13Å; L96-L139 HydrophobicContact CD2-CD2 3.7Å
97Y93.5Very high93.9Very high56 Ų5636.2 Ų36.222%0.2218%0.182CC..Hα-helixtrans-66.5-36-178.1-178.1-103.4000112.5M93 E94 R100 Q138 L139M93-Y97 PolarHBondContact O-N 3.1Å; E94-Y97 PolarHBondContact O-N 2.91Å; Y97-R100 WeakPolarHBondContact O-CB 3.35Å; Y97-R100 WeakPolarHBondContact O-CD 3.41Å; Y97-R100 WeakPolarHBondContact O-CG 3.38Å; Y97-R100 PolarHBondContact O-N 2.85Å; Y97-R100 PolarHBondContact O-NH1 2.98Å; Y97-Q138 HydrophobicContact CD1-CB 4.45Å; Y97-Q138 HydrophobicContact CD2-CB 4.09Å; Y97-Q138 HydrophobicContact CE1-CB 4.09Å; Y97-Q138 HydrophobicContact CE2-CB 3.69Å; Y97-Q138 WeakPolarHBondContact CE2-O 3.46Å; Y97-Q138 HydrophobicContact CG-CB 4.45Å; Y97-L139 HydrophobicContact CD2-CB 4.33Å
98T93.4Very high94Very high76 Ų7634.9 Ų34.947%0.46617%0.169SC..Hα-helixtrans-60.7-47.7171.7-59.70000110.5E94 Y95 L96 R100E94-T98 WeakPolarHBondContact O-CB 3.39Å; E94-T98 PolarHBondContact O-N 3.2Å; E94-T98 PolarHBondContact O-OG1 3Å; Y95-T98 PolarHBondContact O-N 2.91Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 3.22Å; T98-R100 PolarHBondContact O-N 3.45Å
99N94.3Very high94.1Very high49 Ų4937.3 Ų37.326%0.26219%0.189SC..THydrogen-bonded Turntrans-9424.5-178.5-62.8-74.6000113.8L71 Y95 L96 S101 W102L71-N99 HydrophobicContact CD1-CB 4.22Å; L71-N99 HydrophobicContact CD2-CB 4.32Å; Y95-N99 WeakPolarHBondContact CE1-ND2 3.36Å; Y95-N99 WeakPolarHBondContact CE2-ND2 3.13Å; Y95-N99 WeakPolarHBondContact O-CB 3.36Å; Y95-N99 PolarHBondContact O-N 3.17Å; Y95-N99 PolarHBondContact O-ND2 3.44Å; L96-N99 CarbonylContact O-C 3.51Å; L96-N99 VanDerWaalsContact O-C 3.23Å; L96-N99 PolarHBondContact O-N 3.19Å; N99-S101 PolarHBondContact O-N 2.94Å; N99-W102 VanDerWaalsContact O-CB 3.29Å; N99-W102 WeakPolarHBondContact O-CB 3.49Å; N99-W102 PolarHBondContact O-N 2.8Å
100R93.3Very high94.3Very high82 Ų8238.1 Ų38.131%0.30919%0.193SC..Hα-helixtrans-57.8-17.4-173.167.3-167.6173.9-72.8-9115.3L96 Y97 T98 W102 L103 A104 Y142L96-R100 VanDerWaalsContact O-CA 3.31Å; L96-R100 WeakPolarHBondContact O-CA 3.33Å; L96-R100 PolarHBondContact O-N 3.5Å; Y97-R100 WeakPolarHBondContact O-CB 3.35Å; Y97-R100 WeakPolarHBondContact O-CD 3.41Å; Y97-R100 WeakPolarHBondContact O-CG 3.38Å; Y97-R100 PolarHBondContact O-N 2.85Å; Y97-R100 PolarHBondContact O-NH1 2.98Å; T98-R100 PolarHBondContact O-N 3.45Å; R100-W102 VanDerWaalsContact C-N 3.27Å; R100-W102 PolarHBondContact O-N 3.49Å; R100-L103 PolarHBondContact O-N 2.95Å; R100-A104 WeakPolarHBondContact O-CB 3.32Å; R100-A104 PolarHBondContact O-N 2.86Å; R100-Y142 HydrophobicContact CB-CD1 4.13Å; R100-Y142 HydrophobicContact CB-CE1 3.88Å; R100-Y142 HydrophobicContact CG-CD1 4.17Å; R100-Y142 HydrophobicContact CG-CE1 3.8Å; R100-Y142 HydrophobicContact CG-CE2 4.29Å
101S92.1Very high94.4Very high55 Ų5536.8 Ų36.839%0.38519%0.185SC..Hα-helixtrans-60.2-33.2169.446.80000112.9N99 A104 N105N99-S101 PolarHBondContact O-N 2.94Å; S101-A104 PolarHBondContact O-N 2.73Å; S101-N105 WeakPolarHBondContact O-CB 3.39Å; S101-N105 PolarHBondContact O-N 3.21Å; S101-N105 PolarHBondContact O-ND2 3.46Å
102W94.7Very high94.4Very high52 Ų5240.4 Ų40.420%0.19720%0.204CC..Hα-helixtrans-58.5-54.5170.7171.289.7000110.6I66 N67 D70 L71 L96 N99 R100 A104 N105 Q106I66-W102 HydrophobicContact CG2-CH2 3.46Å; I66-W102 VanDerWaalsContact CG2-CH2 3.46Å; I66-W102 HydrophobicContact CG2-CZ2 4.08Å; I66-W102 HydrophobicContact CG2-CZ3 4.01Å; N67-W102 WeakPolarHBondContact O-CH2 3.32Å; D70-W102 HydrophobicContact CB-CZ2 4.06Å; L71-W102 HydrophobicContact CB-CD2 4.15Å; L71-W102 HydrophobicContact CB-CE3 4.29Å; L71-W102 HydrophobicContact CB-CH2 4.31Å; L71-W102 HydrophobicContact CB-CZ2 4.16Å; L71-W102 HydrophobicContact CB-CZ3 4.37Å; L71-W102 HydrophobicContact CD1-CD2 4.46Å; L71-W102 HydrophobicContact CD1-CG 4.28Å; L71-W102 HydrophobicContact CD2-CD2 4.07Å; L71-W102 HydrophobicContact CD2-CE3 3.74Å; L71-W102 HydrophobicContact CD2-CZ3 4.21Å; L71-W102 HydrophobicContact CG-CD2 4.46Å; L96-W102 HydrophobicContact CD1-CE3 4.1Å; L96-W102 HydrophobicContact CD1-CZ3 4.01Å; N99-W102 VanDerWaalsContact O-CB 3.29Å; N99-W102 WeakPolarHBondContact O-CB 3.49Å; N99-W102 PolarHBondContact O-N 2.8Å; R100-W102 VanDerWaalsContact C-N 3.27Å; R100-W102 PolarHBondContact O-N 3.49Å; W102-A104 VanDerWaalsContact C-N 3.33Å; W102-A104 PolarHBondContact O-N 2.86Å; W102-N105 PolarHBondContact O-N 2.99Å; W102-N105 VanDerWaalsContact O-N 3.15Å; W102-Q106 HydrophobicContact CD2-CG 4.27Å; W102-Q106 HydrophobicContact CZ2-CG 4.2Å; W102-Q106 VanDerWaalsContact O-CG 3.31Å; W102-Q106 WeakPolarHBondContact O-CG 3.29Å; W102-Q106 PolarHBondContact O-N 2.79Å
103L95Very high94.5Very high0 Ų048.1 Ų48.10%024%0.237CC..Hα-helixtrans-62-41179.5-178.861000111.4I51 L53 I66 L96 R100 N105 Q106 L107 L139 L143I51-L103 HydrophobicContact CG2-CD1 4.21Å; L53-L103 HydrophobicContact CD1-CD2 4.28Å; L53-L103 HydrophobicContact CD2-CD1 4.4Å; I66-L103 HydrophobicContact CG2-CD1 4.19Å; L96-L103 HydrophobicContact CD1-CB 4.41Å; L96-L103 HydrophobicContact CD1-CD2 4.44Å; R100-L103 PolarHBondContact O-N 2.95Å; L103-N105 VanDerWaalsContact C-N 3.32Å; L103-N105 PolarHBondContact O-N 2.95Å; L103-Q106 PolarHBondContact O-N 3.02Å; L103-L107 HydrophobicContact CD1-CD1 4.03Å; L103-L107 HydrophobicContact CD1-CG 4.11Å; L103-L107 HydrophobicContact CG-CD1 3.87Å; L103-L107 HydrophobicContact CG-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 VanDerWaalsContact O-CG 3.25Å; L103-L107 WeakPolarHBondContact O-CG 3.49Å; L103-L107 PolarHBondContact O-N 3.39Å; L103-L139 HydrophobicContact CD2-CD1 4.36Å; L103-L143 HydrophobicContact CD2-CD2 4.2Å
104A93.8Very high94.4Very high0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-61.7-36.3175.900000113.7Y9 R100 S101 W102 A108 V174 L178Y9-A104 HydrophobicContact CE2-CB 4.33Å; Y9-A104 PolarHBondContact OH-O 3.21Å; R100-A104 WeakPolarHBondContact O-CB 3.32Å; R100-A104 PolarHBondContact O-N 2.86Å; S101-A104 PolarHBondContact O-N 2.73Å; W102-A104 VanDerWaalsContact C-N 3.33Å; W102-A104 PolarHBondContact O-N 2.86Å; A104-A108 WeakPolarHBondContact O-CB 3.31Å; A104-A108 PolarHBondContact O-N 2.87Å; A104-V174 HydrophobicContact CB-CG1 3.45Å; A104-V174 VanDerWaalsContact CB-CG1 3.45Å; A104-L178 HydrophobicContact CB-CD1 3.99Å; A104-L178 HydrophobicContact CB-CD2 3.71Å; A104-L178 HydrophobicContact CB-CG 4.44Å
105N94.3Very high94.3Very high82 Ų8252.8 Ų52.844%0.43927%0.268SS..Hα-helixtrans-75.1-41.4177-73.4-19000111.6Y9 S101 W102 L103 A108 A109Y9-N105 WeakPolarHBondContact CD2-OD1 3.31Å; Y9-N105 WeakPolarHBondContact CE2-OD1 3.25Å; S101-N105 WeakPolarHBondContact O-CB 3.39Å; S101-N105 PolarHBondContact O-N 3.21Å; S101-N105 PolarHBondContact O-ND2 3.46Å; W102-N105 PolarHBondContact O-N 2.99Å; W102-N105 VanDerWaalsContact O-N 3.15Å; L103-N105 VanDerWaalsContact C-N 3.32Å; L103-N105 PolarHBondContact O-N 2.95Å; N105-A108 WeakPolarHBondContact O-CB 3.24Å; N105-A108 PolarHBondContact O-N 2.82Å; N105-A109 PolarHBondContact O-N 3Å
106Q95.6Very high94Very high67 Ų6756 Ų5631%0.31328%0.284SS..Hα-helixtrans-61.8-46.1175-67.2-71.779.200111.4I66 W102 L103 A108 A109 L110I66-Q106 HydrophobicContact CD1-CB 3.53Å; I66-Q106 HydrophobicContact CG1-CB 3.89Å; I66-Q106 HydrophobicContact CG2-CB 4.14Å; I66-Q106 HydrophobicContact CG2-CG 4.36Å; W102-Q106 HydrophobicContact CD2-CG 4.27Å; W102-Q106 HydrophobicContact CZ2-CG 4.2Å; W102-Q106 VanDerWaalsContact O-CG 3.31Å; W102-Q106 WeakPolarHBondContact O-CG 3.29Å; W102-Q106 PolarHBondContact O-N 2.79Å; L103-Q106 PolarHBondContact O-N 3.02Å; Q106-A108 VanDerWaalsContact C-N 3.33Å; Q106-A108 PolarHBondContact O-N 3.15Å; Q106-A109 WeakPolarHBondContact O-CB 3.49Å; Q106-A109 PolarHBondContact O-N 3.2Å; Q106-L110 PolarHBondContact O-N 2.95Å; Q106-L110 VanDerWaalsContact O-N 3.1Å
107L96Very high94Very high0 Ų056.4 Ų56.40%029%0.286CS..Hα-helixtrans-65.5-33.4175-68.8170.2000112.7L15 I51 I66 L103 L110 K111 L119 F121 L143 L178 L180L15-L107 HydrophobicContact CD1-CB 3.6Å; L15-L107 HydrophobicContact CD1-CD1 4.43Å; I51-L107 HydrophobicContact CD1-CD2 4.42Å; I51-L107 HydrophobicContact CG1-CD2 4.24Å; I66-L107 HydrophobicContact CD1-CD2 3.78Å; I66-L107 HydrophobicContact CD1-CG 4.04Å; L103-L107 HydrophobicContact CD1-CD1 4.03Å; L103-L107 HydrophobicContact CD1-CG 4.11Å; L103-L107 HydrophobicContact CG-CD1 3.87Å; L103-L107 HydrophobicContact CG-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 VanDerWaalsContact O-CG 3.25Å; L103-L107 WeakPolarHBondContact O-CG 3.49Å; L103-L107 PolarHBondContact O-N 3.39Å; L107-L110 HydrophobicContact CD2-CD1 4.49Å; L107-L110 PolarHBondContact O-N 3.2Å; L107-K111 PolarHBondContact O-N 3.22Å; L107-L119 HydrophobicContact CD2-CD1 4Å; L107-L119 HydrophobicContact CD2-CD2 4.17Å; L107-F121 HydrophobicContact CD1-CE1 4.35Å; L107-F121 HydrophobicContact CD1-CZ 4.15Å; L107-F121 HydrophobicContact CD2-CE1 4.4Å; L107-F121 HydrophobicContact CD2-CZ 4.08Å; L107-L143 HydrophobicContact CD1-CD2 4.34Å; L107-L178 HydrophobicContact CD1-CD1 3.82Å; L107-L180 HydrophobicContact CD1-CD1 4.26Å
108A94.5Very high94.1Very high4 Ų453.9 Ų53.93%0.03328%0.276CS..Hα-helixtrans-65.7-41171.600000112.3Y9 P10 F11 L15 A104 N105 Q106 L110 K111 Q112Y9-A108 HydrophobicContact CE2-CB 3.98Å; P10-A108 HydrophobicContact CG-CB 3.91Å; F11-A108 HydrophobicContact CD2-CB 3.94Å; F11-A108 HydrophobicContact CE2-CB 4.11Å; L15-A108 HydrophobicContact CD2-CB 4.43Å; A104-A108 WeakPolarHBondContact O-CB 3.31Å; A104-A108 PolarHBondContact O-N 2.87Å; N105-A108 WeakPolarHBondContact O-CB 3.24Å; N105-A108 PolarHBondContact O-N 2.82Å; Q106-A108 VanDerWaalsContact C-N 3.33Å; Q106-A108 PolarHBondContact O-N 3.15Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 2.95Å; A108-K111 PolarHBondContact O-N 3.1Å; A108-Q112 WeakPolarHBondContact O-CG 3.31Å; A108-Q112 PolarHBondContact O-N 3.49Å
109A95.3Very high94.3Very high51 Ų5150.2 Ų50.242%0.42125%0.253SS..Hα-helixtrans-61.8-40.4175.600000111.7N105 Q106 Q112 K113N105-A109 PolarHBondContact O-N 3Å; Q106-A109 WeakPolarHBondContact O-CB 3.49Å; Q106-A109 PolarHBondContact O-N 3.2Å; A109-Q112 PolarHBondContact O-N 3.4Å; A109-K113 PolarHBondContact O-N 3.28Å; A109-K113 VanDerWaalsContact O-N 3.17Å
110L95.6Very high94.5Very high24 Ų2447.9 Ų47.913%0.12624%0.241CC..Hα-helixtrans-61.5-46.8172-65.8-177.3000112.1A49 A65 I66 Q106 L107 A108 Q112 K113 D114 I117A49-L110 HydrophobicContact CB-CD1 3.69Å; A65-L110 HydrophobicContact CB-CD1 4.22Å; A65-L110 HydrophobicContact CB-CD2 4.3Å; I66-L110 HydrophobicContact CD1-CD1 3.59Å; I66-L110 HydrophobicContact CD1-CG 4.29Å; I66-L110 HydrophobicContact CG1-CD1 4.01Å; Q106-L110 PolarHBondContact O-N 2.95Å; Q106-L110 VanDerWaalsContact O-N 3.1Å; L107-L110 HydrophobicContact CD2-CD1 4.49Å; L107-L110 PolarHBondContact O-N 3.2Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 2.95Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 3.03Å; L110-K113 PolarHBondContact O-N 2.93Å; L110-D114 PolarHBondContact O-N 3.16Å; L110-I117 HydrophobicContact CB-CD1 4.48Å; L110-I117 HydrophobicContact CB-CG2 4.33Å
111K94.6Very high94.7Very high26 Ų2644 Ų4411%0.11323%0.226CC..Hα-helixtrans-62.5-34.3176.8-175.5175.7169.4178.10113F11 G14 L15 L17 L107 A108 D114 P115F11-K111 HydrophobicContact CD1-CD 3.97Å; F11-K111 HydrophobicContact CD2-CB 4.45Å; F11-K111 HydrophobicContact CD2-CD 3.86Å; F11-K111 HydrophobicContact CD2-CG 4.42Å; F11-K111 HydrophobicContact CE1-CD 3.83Å; F11-K111 HydrophobicContact CE1-CG 4.13Å; F11-K111 HydrophobicContact CE2-CB 3.73Å; F11-K111 HydrophobicContact CE2-CD 3.72Å; F11-K111 HydrophobicContact CE2-CG 3.78Å; F11-K111 HydrophobicContact CG-CD 3.99Å; F11-K111 HydrophobicContact CZ-CB 4Å; F11-K111 HydrophobicContact CZ-CD 3.7Å; F11-K111 HydrophobicContact CZ-CG 3.61Å; G14-K111 PolarHBondContact O-NZ 2.8Å; L15-K111 VanDerWaalsContact C-NZ 3.34Å; L15-K111 HydrophobicContact CB-CD 4.19Å; L15-K111 HydrophobicContact CD2-CB 4.34Å; L15-K111 HydrophobicContact CD2-CD 3.69Å; L15-K111 WeakPolarHBondContact O-CD 3.44Å; L15-K111 VanDerWaalsContact O-CE 3.24Å; L15-K111 WeakPolarHBondContact O-CE 3.5Å; L15-K111 PolarHBondContact O-NZ 2.95Å; L17-K111 HydrophobicContact CD1-CB 4.06Å; L17-K111 HydrophobicContact CD1-CG 4.43Å; L17-K111 HydrophobicContact CD2-CD 4.49Å; L17-K111 HydrophobicContact CD2-CG 4.3Å; L17-K111 HydrophobicContact CG-CD 4.42Å; L107-K111 PolarHBondContact O-N 3.22Å; A108-K111 PolarHBondContact O-N 3.1Å; K111-D114 CarbonylContact O-C 3.41Å; K111-P115 VanDerWaalsContact O-CA 3.28Å; K111-P115 WeakPolarHBondContact O-CA 3.33Å
112Q94.8Very high94.9Very high125 Ų12541.4 Ų41.458%0.58421%0.208SC*.Hα-helixtrans-66.6-37.7175.4-76.6-178.8-0.700112.3P10 F11 A108 A109 L110P10-Q112 VanDerWaalsContact CB-NE2 3.29Å; F11-Q112 HydrophobicContact CE2-CG 3.89Å; F11-Q112 HydrophobicContact CZ-CG 3.82Å; A108-Q112 WeakPolarHBondContact O-CG 3.31Å; A108-Q112 PolarHBondContact O-N 3.49Å; A109-Q112 PolarHBondContact O-N 3.4Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 3.03Å
113K94.8Very high94.9Very high161 Ų16139 Ų3970%0.720%0.199SC*.Hα-helixtrans-74.1-49.4179.6-174.5-165.9171.2-172.30112.1A109 L110A109-K113 PolarHBondContact O-N 3.28Å; A109-K113 VanDerWaalsContact O-N 3.17Å; L110-K113 PolarHBondContact O-N 2.93Å
114D93.4Very high94.8Very high35 Ų3539 Ų3919%0.18720%0.199CC..  trans-132.890.5-177-76-85.1000109K47 L110 K111 K116 I117K47-D114 WeakPolarHBondContact CD-OD1 3.24Å; K47-D114 WeakPolarHBondContact CE-OD1 3.41Å; L110-D114 PolarHBondContact O-N 3.16Å; K111-D114 CarbonylContact O-C 3.41Å; D114-K116 PolarHBondContact O-N 3.16Å; D114-I117 HydrophobicContact CB-CB 3.92Å; D114-I117 HydrophobicContact CB-CD1 4.31Å; D114-I117 WeakPolarHBondContact O-CB 3.09Å; D114-I117 WeakPolarHBondContact O-CG2 3.49Å; D114-I117 PolarHBondContact O-N 3.31Å
115P91Very high94.6Very high91 Ų9139.5 Ų39.559%0.59120%0.204SC*.THydrogen-bonded Turntrans-64-0.1-172.6-26.335.5000117.3K111K111-P115 VanDerWaalsContact O-CA 3.28Å; K111-P115 WeakPolarHBondContact O-CA 3.33Å
116K88.2Confident94.5Very high140 Ų14038.3 Ų38.361%0.60920%0.196SC*.THydrogen-bonded Turntrans-129.826.6176.2-63.8-174.7177.8175.80111.7D114 N317D114-K116 PolarHBondContact O-N 3.16Å; K116-N317 PolarHBondContact NZ-OD1 3.34Å
117I95.5Very high94.1Very high9 Ų937.2 Ų37.25%0.04619%0.194CC..  trans-67.9130.6178.5-164165.2000111.1L17 K47 A49 L110 D114 L119L17-I117 HydrophobicContact CD1-CG2 3.69Å; L17-I117 HydrophobicContact CD2-CG2 4.36Å; K47-I117 HydrophobicContact CB-CB 4.48Å; K47-I117 HydrophobicContact CB-CG1 4.33Å; A49-I117 HydrophobicContact CB-CD1 3.6Å; A49-I117 HydrophobicContact CB-CG1 4.09Å; L110-I117 HydrophobicContact CB-CD1 4.48Å; L110-I117 HydrophobicContact CB-CG2 4.33Å; D114-I117 HydrophobicContact CB-CB 3.92Å; D114-I117 HydrophobicContact CB-CD1 4.31Å; D114-I117 WeakPolarHBondContact O-CB 3.09Å; D114-I117 WeakPolarHBondContact O-CG2 3.49Å; D114-I117 PolarHBondContact O-N 3.31Å; I117-L119 HydrophobicContact CG2-CD2 4.15Å
118Y96.2Very high93.7Very high2 Ų241.1 Ų41.11%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-87.9136.5176.3-165.5-87.1000109.3F18 Q20 L41 K47 V48 A49 I120 D307 Y312F18-Y118 HydrophobicContact CB-CD2 4.14Å; F18-Y118 HydrophobicContact CB-CE2 4.26Å; Q20-Y118 HydrophobicContact CG-CE1 3.73Å; Q20-Y118 PolarHBondContact NE2-OH 3.4Å; L41-Y118 HydrophobicContact CD1-CD1 4.04Å; L41-Y118 HydrophobicContact CD1-CE1 3.96Å; K47-Y118 WeakPolarHBondContact O-CB 3.21Å; K47-Y118 PolarHBondContact O-N 3.15Å; V48-Y118 CarbonylContact C-O 3.57Å; V48-Y118 WeakPolarHBondContact CA-O 3.4Å; A49-Y118 PolarHBondContact N-O 2.71Å; Y118-I120 HydrophobicContact CD1-CG1 4.47Å; Y118-D307 VanDerWaalsContact CE2-OD1 3.25Å; Y118-D307 WeakPolarHBondContact CE2-OD1 3.49Å; Y118-D307 VanDerWaalsContact CZ-OD1 3.28Å; Y118-D307 PolarHBondContact OH-OD1 2.91Å; Y118-Y312 AromaticContact CD2-CD2 3.83Å; Y118-Y312 HydrophobicContact CD2-CD2 3.83Å; Y118-Y312 AromaticContact CD2-CE2 3.89Å; Y118-Y312 HydrophobicContact CD2-CE2 3.89Å; Y118-Y312 HydrophobicContact CD2-CG 4.45Å; Y118-Y312 AromaticContact CE2-CD2 3.94Å; Y118-Y312 HydrophobicContact CE2-CD2 3.94Å; Y118-Y312 HydrophobicContact CE2-CE2 4.34Å; Y118-Y312 HydrophobicContact CE2-CG 4.11Å
119L97.9Very high93.4Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-108.3125.8-171.4-52.4177.1000110.9L17 F18 G19 Q20 A49 I51 L107 I117 F121 L180L17-L119 HydrophobicContact CB-CD1 4.01Å; L17-L119 HydrophobicContact CB-CG 4.33Å; L17-L119 HydrophobicContact CD1-CD1 4.06Å; L17-L119 HydrophobicContact CD1-CD2 4.17Å; L17-L119 HydrophobicContact CD1-CG 4.3Å; F18-L119 PolarHBondContact O-N 2.96Å; G19-L119 CarbonylContact C-O 3.28Å; G19-L119 WeakPolarHBondContact CA-O 3.18Å; Q20-L119 PolarHBondContact N-O 3.26Å; A49-L119 HydrophobicContact CB-CD2 4.39Å; I51-L119 HydrophobicContact CD1-CB 4.01Å; I51-L119 HydrophobicContact CD1-CD2 4.07Å; L107-L119 HydrophobicContact CD2-CD1 4Å; L107-L119 HydrophobicContact CD2-CD2 4.17Å; I117-L119 HydrophobicContact CG2-CD2 4.15Å; L119-F121 HydrophobicContact CB-CD2 4.15Å; L119-F121 HydrophobicContact CB-CE2 3.58Å; L119-F121 HydrophobicContact CB-CZ 4.32Å; L119-F121 HydrophobicContact CD1-CE2 3.88Å; L119-F121 HydrophobicContact CD1-CZ 4Å; L119-F121 HydrophobicContact CG-CE2 4.39Å; L119-L180 HydrophobicContact CD1-CD1 4.18Å; L119-L180 HydrophobicContact CD1-CD2 3.87Å
120I98.2Very high93Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-110.1117.8167.4-57.7176.7000107.1V22 C34 M37 H38 L41 V48 A49 V50 I51 Y118V22-I120 HydrophobicContact CG2-CG2 3.89Å; C34-I120 HydrophobicContact CB-CG2 4.15Å; M37-I120 HydrophobicContact CB-CD1 4.27Å; M37-I120 HydrophobicContact CG-CD1 4.01Å; H38-I120 HydrophobicContact CB-CD1 4.26Å; L41-I120 HydrophobicContact CD1-CD1 4.1Å; V48-I120 HydrophobicContact CG1-CD1 3.81Å; V48-I120 HydrophobicContact CG1-CG1 4.02Å; A49-I120 PolarHBondContact O-N 3.03Å; V50-I120 CarbonylContact C-O 3.23Å; V50-I120 WeakPolarHBondContact CA-O 3.37Å; V50-I120 HydrophobicContact CG1-CB 4.4Å; V50-I120 HydrophobicContact CG1-CG2 4.37Å; V50-I120 HydrophobicContact CG2-CB 4.49Å; I51-I120 WeakPolarHBondContact CD1-O 3.48Å; I51-I120 PolarHBondContact N-O 2.76Å; Y118-I120 HydrophobicContact CD1-CG1 4.47Å
121F97.7Very high92.4Very high0 Ų038.5 Ų38.50%019%0.191CC..EExtended strand (participates in β ladder)trans-101.6116.9174.1-63.7-101.8000109.2Q20 L21 V22 I51 L53 L107 L119 L123 L143 L180 L182Q20-F121 PolarHBondContact O-N 2.97Å; L21-F121 HydrophobicContact CD2-CB 3.55Å; L21-F121 HydrophobicContact CD2-CD1 4.37Å; L21-F121 HydrophobicContact CD2-CD2 3.53Å; L21-F121 HydrophobicContact CD2-CE2 4.26Å; L21-F121 HydrophobicContact CD2-CG 3.58Å; V22-F121 WeakPolarHBondContact CB-O 3.4Å; V22-F121 PolarHBondContact N-O 3.21Å; I51-F121 HydrophobicContact CB-CD1 3.71Å; I51-F121 HydrophobicContact CB-CE1 4.09Å; I51-F121 HydrophobicContact CB-CG 4.25Å; I51-F121 HydrophobicContact CD1-CD1 4.37Å; I51-F121 HydrophobicContact CD1-CD2 4.48Å; I51-F121 HydrophobicContact CD1-CE1 4.29Å; I51-F121 HydrophobicContact CD1-CE2 4.41Å; I51-F121 HydrophobicContact CD1-CG 4.48Å; I51-F121 HydrophobicContact CD1-CZ 4.32Å; I51-F121 HydrophobicContact CG1-CD1 4.2Å; I51-F121 HydrophobicContact CG1-CE1 4.11Å; I51-F121 HydrophobicContact CG2-CD1 3.68Å; I51-F121 HydrophobicContact CG2-CE1 3.94Å; I51-F121 WeakPolarHBondContact O-CA 3.34Å; L53-F121 HydrophobicContact CD1-CD1 3.85Å; L53-F121 HydrophobicContact CD1-CE1 4.47Å; L53-F121 HydrophobicContact CG-CD1 4.41Å; L107-F121 HydrophobicContact CD1-CE1 4.35Å; L107-F121 HydrophobicContact CD1-CZ 4.15Å; L107-F121 HydrophobicContact CD2-CE1 4.4Å; L107-F121 HydrophobicContact CD2-CZ 4.08Å; L119-F121 HydrophobicContact CB-CD2 4.15Å; L119-F121 HydrophobicContact CB-CE2 3.58Å; L119-F121 HydrophobicContact CB-CZ 4.32Å; L119-F121 HydrophobicContact CD1-CE2 3.88Å; L119-F121 HydrophobicContact CD1-CZ 4Å; L119-F121 HydrophobicContact CG-CE2 4.39Å; F121-L123 HydrophobicContact CB-CD2 3.95Å; F121-L123 HydrophobicContact CB-CG 4.35Å; F121-L143 HydrophobicContact CE1-CD1 4.38Å; F121-L143 HydrophobicContact CZ-CD1 4.46Å; F121-L180 HydrophobicContact CZ-CD1 4.24Å; F121-L182 HydrophobicContact CE2-CD1 4.27Å; F121-L182 HydrophobicContact CE2-CD2 4.04Å
122D96Very high91.9Very high0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-86.2117.1171.2-156.814.6000107.7T31 C34 I51 L53 D54 N57 Y62T31-D122 WeakPolarHBondContact CA-OD2 3.3Å; T31-D122 WeakPolarHBondContact CB-OD2 3.44Å; T31-D122 WeakPolarHBondContact CG2-OD2 3.24Å; T31-D122 PolarHBondContact OG1-OD2 3.4Å; C34-D122 HydrophobicContact CB-CB 4.49Å; C34-D122 VanDerWaalsContact SG-CG 3.52Å; C34-D122 PolarHBondContact SG-OD1 3.16Å; C34-D122 VanDerWaalsContact SG-OD1 3.33Å; I51-D122 PolarHBondContact O-N 3.07Å; L53-D122 WeakPolarHBondContact CA-O 3.35Å; L53-D122 PolarHBondContact N-O 3.02Å; D54-D122 PolarHBondContact N-O 2.68Å; N57-D122 PolarHBondContact ND2-OD2 3.1Å; Y62-D122 WeakPolarHBondContact CE1-OD2 3.5Å; Y62-D122 VanDerWaalsContact OH-CB 3.28Å; Y62-D122 WeakPolarHBondContact OH-CB 3.32Å; Y62-D122 PolarHBondContact OH-OD2 2.9Å
123L95Very high91.5Very high3 Ų340.2 Ų40.22%0.01620%0.199CC..  trans-113.8155-170.6-55.9-177.4000112L21 V22 I23 K30 L53 F121 Y130 M136L21-L123 HydrophobicContact CB-CD1 3.84Å; L21-L123 HydrophobicContact CD1-CD1 4.43Å; L21-L123 HydrophobicContact CD2-CD1 4.19Å; L21-L123 HydrophobicContact CG-CD1 4.37Å; V22-L123 WeakPolarHBondContact O-CB 3.25Å; V22-L123 PolarHBondContact O-N 3.42Å; I23-L123 HydrophobicContact CG2-CB 4.28Å; I23-L123 HydrophobicContact CG2-CD1 3.59Å; I23-L123 HydrophobicContact CG2-CG 4.41Å; K30-L123 WeakPolarHBondContact CE-O 3.39Å; L53-L123 HydrophobicContact CB-CD2 3.81Å; L53-L123 HydrophobicContact CD1-CD2 3.78Å; L53-L123 HydrophobicContact CG-CD2 4.2Å; F121-L123 HydrophobicContact CB-CD2 3.95Å; F121-L123 HydrophobicContact CB-CG 4.35Å; L123-Y130 WeakPolarHBondContact CB-OH 3.32Å; L123-Y130 HydrophobicContact CD1-CE1 4.42Å; L123-M136 HydrophobicContact CD1-CE 3.89Å; L123-M136 HydrophobicContact CD2-CE 4.38Å
124P93.4Very high91.2Very high0 Ų036 Ų360%019%0.187CC..  trans-58.5147.9-169.3-17.123.3000114.9L53 D54 M93 Q126 L129 Y130L53-P124 WeakPolarHBondContact O-CD 3.28Å; L53-P124 WeakPolarHBondContact O-CG 3.34Å; D54-P124 HydrophobicContact CB-CB 4.45Å; D54-P124 VanDerWaalsContact OD2-CA 3.31Å; D54-P124 WeakPolarHBondContact OD2-CA 3.43Å; M93-P124 HydrophobicContact CE-CG 4.04Å; M93-P124 HydrophobicContact CG-CG 4.3Å; M93-P124 HydrophobicContact SD-CG 3.54Å; M93-P124 VanDerWaalsContact SD-CG 3.54Å; P124-Q126 PolarHBondContact O-N 3.18Å; P124-L129 HydrophobicContact CB-CD1 3.7Å; P124-L129 HydrophobicContact CG-CD1 4.03Å; P124-Y130 VanDerWaalsContact O-CE2 3.26Å; P124-Y130 WeakPolarHBondContact O-CE2 3.2Å; P124-Y130 PolarHBondContact O-OH 3.48Å
125G89.9Confident91Very high9 Ų934.4 Ų34.49%0.09318%0.179CC..SBendtrans-71.1-16.8-174.400000118P25 P26 K30 D54P25-G125 CarbonylContact C-O 3.59Å; P25-G125 VanDerWaalsContact C-O 3.28Å; P25-G125 WeakPolarHBondContact CA-O 3.5Å; P26-G125 WeakPolarHBondContact CD-O 3.25Å; K30-G125 VanDerWaalsContact NZ-CA 3.31Å; D54-G125 PolarHBondContact OD2-N 2.82Å
126Q91.1Very high91Very high57 Ų5730.1 Ų30.127%0.26615%0.151SC..  trans-78.4127.2-171.8-53.5-55.7-1100112.4L89 P124 E128 L129 Y130L89-Q126 HydrophobicContact CD1-CG 3.65Å; P124-Q126 PolarHBondContact O-N 3.18Å; Q126-E128 VanDerWaalsContact C-N 3.3Å; Q126-E128 PolarHBondContact O-N 3.41Å; Q126-L129 HydrophobicContact CB-CD1 4.32Å; Q126-L129 WeakPolarHBondContact O-CB 3.47Å; Q126-L129 PolarHBondContact O-N 3.35Å; Q126-Y130 WeakPolarHBondContact O-CD2 3.31Å; Q126-Y130 WeakPolarHBondContact O-CE2 3.29Å
127V87.5Confident91.1Very high45 Ų4525.7 Ų25.727%0.27313%0.131SC..THydrogen-bonded Turntrans-68.4-29.7-171.7-62.80000112.7P25 L129 Y130 T131P25-V127 HydrophobicContact CB-CG1 3.89Å; V127-L129 PolarHBondContact O-N 2.97Å; V127-Y130 WeakPolarHBondContact O-CA 3.42Å; V127-Y130 PolarHBondContact O-N 3.22Å; V127-T131 PolarHBondContact O-N 2.91Å; V127-T131 PolarHBondContact O-OG1 3.49Å
128E87.9Confident91Very high81 Ų8127.3 Ų27.338%0.37914%0.138SC..Hα-helixtrans-58.7-29.9-179.5-62.591.9147.900112.7Q126 Y130 T131 H132 H133Q126-E128 VanDerWaalsContact C-N 3.3Å; Q126-E128 PolarHBondContact O-N 3.41Å; E128-Y130 PolarHBondContact O-N 3.33Å; E128-T131 WeakPolarHBondContact CA-OG1 3.48Å; E128-H132 PolarHBondContact O-N 3.45Å; E128-H132 VanDerWaalsContact O-N 3.09Å; E128-H133 PolarHBondContact O-N 2.96Å
129L88.3Confident90.8Very high4 Ų427.3 Ų27.32%0.02114%0.138CC..Hα-helixtrans-65.1-24.6174.8-65.6171.5000112.5I90 M93 P124 Q126 V127 H133 M136I90-L129 HydrophobicContact CG1-CD2 4.08Å; M93-L129 HydrophobicContact CG-CD1 4.29Å; M93-L129 HydrophobicContact CG-CD2 4.21Å; P124-L129 HydrophobicContact CB-CD1 3.7Å; P124-L129 HydrophobicContact CG-CD1 4.03Å; Q126-L129 HydrophobicContact CB-CD1 4.32Å; Q126-L129 WeakPolarHBondContact O-CB 3.47Å; Q126-L129 PolarHBondContact O-N 3.35Å; V127-L129 PolarHBondContact O-N 2.97Å; L129-H133 HydrophobicContact CD2-CB 4.43Å; L129-M136 HydrophobicContact CB-CG 3.85Å; L129-M136 VanDerWaalsContact O-CB 3.24Å; L129-M136 WeakPolarHBondContact O-CB 3.34Å; L129-M136 WeakPolarHBondContact O-CG 3.47Å
130Y87.2Confident90.6Very high6 Ų627.4 Ų27.42%0.02414%0.138CC..Hα-helixtrans-108.3-16.3-178.6-48.1-82.1000113.8I23 L123 P124 Q126 V127 E128 M136 Q212 L213I23-Y130 HydrophobicContact CB-CD1 4.28Å; I23-Y130 HydrophobicContact CB-CE1 3.86Å; I23-Y130 HydrophobicContact CD1-CD1 4.37Å; I23-Y130 HydrophobicContact CG2-CD1 3.95Å; I23-Y130 HydrophobicContact CG2-CE1 3.33Å; L123-Y130 WeakPolarHBondContact CB-OH 3.32Å; L123-Y130 HydrophobicContact CD1-CE1 4.42Å; P124-Y130 VanDerWaalsContact O-CE2 3.26Å; P124-Y130 WeakPolarHBondContact O-CE2 3.2Å; P124-Y130 PolarHBondContact O-OH 3.48Å; Q126-Y130 WeakPolarHBondContact O-CD2 3.31Å; Q126-Y130 WeakPolarHBondContact O-CE2 3.29Å; V127-Y130 WeakPolarHBondContact O-CA 3.42Å; V127-Y130 PolarHBondContact O-N 3.22Å; E128-Y130 PolarHBondContact O-N 3.33Å; Y130-M136 HydrophobicContact CD1-CG 4.4Å; Y130-M136 HydrophobicContact CE1-CE 3.89Å; Y130-M136 HydrophobicContact CE1-CG 4.32Å; Y130-Q212 WeakPolarHBondContact O-CG 3.15Å; Y130-Q212 PolarHBondContact O-OE1 3.47Å; Y130-L213 HydrophobicContact CD1-CD1 4.32Å; Y130-L213 HydrophobicContact CD1-CD2 4.48Å
131T82.7Confident90.3Very high15 Ų1528 Ų289%0.09214%0.143CC..Hα-helixtrans-107.7-22.1-176.359.10000114.6V127 E128 T205 Q212V127-T131 PolarHBondContact O-N 2.91Å; V127-T131 PolarHBondContact O-OG1 3.49Å; E128-T131 WeakPolarHBondContact CA-OG1 3.48Å; T131-T205 HydrophobicContact CG2-CG2 4.28Å; T131-Q212 VanDerWaalsContact C-CD 3.47Å; T131-Q212 VanDerWaalsContact O-CD 3.27Å; T131-Q212 PolarHBondContact O-NE2 3.09Å; T131-Q212 PolarHBondContact O-OE1 2.8Å
132H82.8Confident90Very high152 Ų15228.7 Ų28.770%0.70415%0.145SC*.THydrogen-bonded Turntrans-139.9-30.3-178.2-61.5-52.6000114.5E128E128-H132 PolarHBondContact O-N 3.45Å; E128-H132 VanDerWaalsContact O-N 3.09Å
133H87.4Confident89.9Confident35 Ų3528.8 Ų28.816%0.16215%0.146CC..  trans-83.6125.9-171.3-151.6-106.8000113.2E94 E128 L129 C135E94-H133 IonicContact OE1-CE1 2.77Å; E94-H133 PolarHBondContact OE1-CE1 2.88Å; E94-H133 IonicContact OE1-NE2 3.17Å; E128-H133 PolarHBondContact O-N 2.96Å; L129-H133 HydrophobicContact CD2-CB 4.43Å; H133-C135 WeakPolarHBondContact ND1-CB 3.49Å; H133-C135 PolarHBondContact O-N 3.44Å
134P87.6Confident89.8Confident71 Ų7129.2 Ų29.246%0.46115%0.148SC..Hα-helixtrans-68-21.7-174.628.2-36.1000113.5M136 R137 Q138P134-M136 PolarHBondContact O-N 3.03Å; P134-R137 WeakPolarHBondContact O-CB 3.35Å; P134-R137 PolarHBondContact O-N 2.91Å; P134-Q138 WeakPolarHBondContact O-CG 3.43Å; P134-Q138 PolarHBondContact O-N 3.47Å; P134-Q138 PolarHBondContact O-OE1 3.37Å
135C90Very high89.3Confident2 Ų233.2 Ų33.21%0.01417%0.17CC..Hα-helixtrans-60.8-41.6-171.6-168.20000113.6M93 E94 H133 Q138 L139M93-C135 PolarHBondContact O-SG 3.36Å; E94-C135 HydrophobicContact CG-CB 4.25Å; H133-C135 WeakPolarHBondContact ND1-CB 3.49Å; H133-C135 PolarHBondContact O-N 3.44Å; C135-Q138 PolarHBondContact O-N 2.82Å; C135-L139 WeakPolarHBondContact O-CB 3.44Å; C135-L139 PolarHBondContact O-N 2.93Å
136M91.4Very high88.6Confident1 Ų136.5 Ų36.51%0.00518%0.182CC..Hα-helixtrans-66.4-41.2177.7-67.2-52-68.200111.7M93 L123 L129 Y130 P134 Q138 L139 V140 L213M93-M136 HydrophobicContact CE-CE 4.24Å; M93-M136 HydrophobicContact CE-SD 3.54Å; M93-M136 VanDerWaalsContact CE-SD 3.54Å; M93-M136 HydrophobicContact CG-SD 4.38Å; L123-M136 HydrophobicContact CD1-CE 3.89Å; L123-M136 HydrophobicContact CD2-CE 4.38Å; L129-M136 HydrophobicContact CB-CG 3.85Å; L129-M136 VanDerWaalsContact O-CB 3.24Å; L129-M136 WeakPolarHBondContact O-CB 3.34Å; L129-M136 WeakPolarHBondContact O-CG 3.47Å; Y130-M136 HydrophobicContact CD1-CG 4.4Å; Y130-M136 HydrophobicContact CE1-CE 3.89Å; Y130-M136 HydrophobicContact CE1-CG 4.32Å; P134-M136 PolarHBondContact O-N 3.03Å; M136-Q138 VanDerWaalsContact C-N 3.33Å; M136-Q138 PolarHBondContact O-N 2.85Å; M136-L139 HydrophobicContact CE-CD2 4.31Å; M136-L139 PolarHBondContact O-N 3.39Å; M136-L139 HydrophobicContact SD-CD2 4.43Å; M136-V140 WeakPolarHBondContact O-CB 3.33Å; M136-V140 WeakPolarHBondContact O-CG2 3.41Å; M136-V140 PolarHBondContact O-N 2.89Å; M136-L213 HydrophobicContact CB-CD2 4.2Å
137R90.4Very high87.3Confident48 Ų4838.4 Ų38.418%0.18120%0.199CC..Hα-helixtrans-60.8-42.2173.8-176.8179.1-176100.94.9111.6P134 V140 C141 L211 Q212 S214P134-R137 WeakPolarHBondContact O-CB 3.35Å; P134-R137 PolarHBondContact O-N 2.91Å; R137-V140 PolarHBondContact O-N 2.82Å; R137-C141 WeakPolarHBondContact O-CB 3.33Å; R137-C141 PolarHBondContact O-N 3.47Å; R137-C141 PolarHBondContact O-SG 2.87Å; R137-L211 PolarHBondContact NH1-O 2.94Å; R137-Q212 WeakPolarHBondContact CD-O 3.47Å; R137-Q212 WeakPolarHBondContact CG-O 3.3Å; R137-Q212 PolarHBondContact NH1-O 3.14Å; R137-S214 PolarHBondContact NH1-OG 2.93Å; R137-S214 PolarHBondContact NH2-OG 2.89Å
138Q91.5Very high85.7Confident42 Ų4239.8 Ų39.820%0.19621%0.208CC..Hα-helixtrans-64.5-42.7176.6-71.2171.4-85.700112.1Y97 P134 C135 M136 Y142 I152Y97-Q138 HydrophobicContact CD1-CB 4.45Å; Y97-Q138 HydrophobicContact CD2-CB 4.09Å; Y97-Q138 HydrophobicContact CE1-CB 4.09Å; Y97-Q138 HydrophobicContact CE2-CB 3.69Å; Y97-Q138 WeakPolarHBondContact CE2-O 3.46Å; Y97-Q138 HydrophobicContact CG-CB 4.45Å; P134-Q138 WeakPolarHBondContact O-CG 3.43Å; P134-Q138 PolarHBondContact O-N 3.47Å; P134-Q138 PolarHBondContact O-OE1 3.37Å; C135-Q138 PolarHBondContact O-N 2.82Å; M136-Q138 VanDerWaalsContact C-N 3.33Å; M136-Q138 PolarHBondContact O-N 2.85Å; Q138-Y142 WeakPolarHBondContact O-CB 3.46Å; Q138-Y142 PolarHBondContact O-N 2.92Å; Q138-I152 HydrophobicContact CG-CD1 4.25Å
139L92.8Very high83.9Confident3 Ų342.3 Ų42.32%0.01622%0.224CC..Hα-helixtrans-62.6-48.6174.7-178.665.3000111.3L53 M93 L96 Y97 L103 C135 M136 C141 Y142 L143L53-L139 HydrophobicContact CD1-CD2 4.38Å; M93-L139 HydrophobicContact CE-CD2 4.33Å; L96-L139 HydrophobicContact CD2-CD1 4.13Å; L96-L139 HydrophobicContact CD2-CD2 3.7Å; Y97-L139 HydrophobicContact CD2-CB 4.33Å; L103-L139 HydrophobicContact CD2-CD1 4.36Å; C135-L139 WeakPolarHBondContact O-CB 3.44Å; C135-L139 PolarHBondContact O-N 2.93Å; M136-L139 HydrophobicContact CE-CD2 4.31Å; M136-L139 PolarHBondContact O-N 3.39Å; M136-L139 HydrophobicContact SD-CD2 4.43Å; L139-C141 PolarHBondContact O-N 3.35Å; L139-Y142 WeakPolarHBondContact O-CB 3.26Å; L139-Y142 PolarHBondContact O-N 3.48Å; L139-Y142 VanDerWaalsContact O-N 3.15Å; L139-L143 HydrophobicContact CD1-CG 4.48Å; L139-L143 HydrophobicContact CG-CD1 4.34Å; L139-L143 WeakPolarHBondContact O-CG 3.4Å; L139-L143 PolarHBondContact O-N 2.85Å
140V93.2Very high82.1Confident1 Ų149.5 Ų49.51%0.00626%0.255CS..Hα-helixtrans-66-38.1179.71740000112.1L21 M136 R137 Y142 L143 T144 L213 I215L21-V140 HydrophobicContact CD1-CB 4.44Å; L21-V140 HydrophobicContact CD1-CG1 4.2Å; L21-V140 HydrophobicContact CD1-CG2 3.43Å; L21-V140 VanDerWaalsContact CD1-CG2 3.43Å; M136-V140 WeakPolarHBondContact O-CB 3.33Å; M136-V140 WeakPolarHBondContact O-CG2 3.41Å; M136-V140 PolarHBondContact O-N 2.89Å; R137-V140 PolarHBondContact O-N 2.82Å; V140-Y142 VanDerWaalsContact C-N 3.32Å; V140-Y142 PolarHBondContact O-N 3.03Å; V140-L143 PolarHBondContact O-N 3.21Å; V140-T144 HydrophobicContact CG1-CG2 4.2Å; V140-T144 WeakPolarHBondContact O-CB 3.44Å; V140-T144 WeakPolarHBondContact O-CG2 3.15Å; V140-T144 PolarHBondContact O-N 2.93Å; V140-T144 PolarHBondContact O-OG1 2.95Å; V140-L213 HydrophobicContact CG1-CB 4.45Å; V140-L213 HydrophobicContact CG2-CD2 4.02Å; V140-I215 HydrophobicContact CG1-CD1 4.04Å; V140-I215 HydrophobicContact CG1-CG1 4.45Å; V140-I215 HydrophobicContact CG1-CG2 3.67Å
141C91.7Very high79.9Confident13 Ų1358.6 Ų58.69%0.08830%0.295CS..Hα-helixtrans-62.1-40.2172.1-680000111.8R137 L139 N145 K146 T148R137-C141 WeakPolarHBondContact O-CB 3.33Å; R137-C141 PolarHBondContact O-N 3.47Å; R137-C141 PolarHBondContact O-SG 2.87Å; L139-C141 PolarHBondContact O-N 3.35Å; C141-N145 WeakPolarHBondContact O-CA 3.49Å; C141-N145 PolarHBondContact O-N 2.57Å; C141-K146 WeakPolarHBondContact CB-O 3.13Å; C141-K146 PolarHBondContact O-N 2.93Å; C141-T148 HydrophobicContact CB-CG2 3.85Å
142Y92.1Very high78.1Confident14 Ų1462.1 Ų62.16%0.05531%0.312CS..Hα-helixtrans-64.1-46174.5179-106.1000112.3R100 Q138 L139 V140 V174 P175 N176 S177 L178R100-Y142 HydrophobicContact CB-CD1 4.13Å; R100-Y142 HydrophobicContact CB-CE1 3.88Å; R100-Y142 HydrophobicContact CG-CD1 4.17Å; R100-Y142 HydrophobicContact CG-CE1 3.8Å; R100-Y142 HydrophobicContact CG-CE2 4.29Å; Q138-Y142 WeakPolarHBondContact O-CB 3.46Å; Q138-Y142 PolarHBondContact O-N 2.92Å; L139-Y142 WeakPolarHBondContact O-CB 3.26Å; L139-Y142 PolarHBondContact O-N 3.48Å; L139-Y142 VanDerWaalsContact O-N 3.15Å; V140-Y142 VanDerWaalsContact C-N 3.32Å; V140-Y142 PolarHBondContact O-N 3.03Å; Y142-V174 VanDerWaalsContact OH-CG1 3.28Å; Y142-V174 WeakPolarHBondContact OH-CG1 3.47Å; Y142-P175 WeakPolarHBondContact CE2-O 3.47Å; Y142-P175 PolarHBondContact OH-O 3.06Å; Y142-N176 WeakPolarHBondContact CD2-O 3.38Å; Y142-N176 WeakPolarHBondContact CE2-O 3.46Å; Y142-S177 CarbonylContact O-C 2.97Å; Y142-S177 WeakPolarHBondContact O-CA 3.13Å; Y142-L178 HydrophobicContact CD1-CG 4.42Å; Y142-L178 HydrophobicContact CE1-CD1 4.01Å; Y142-L178 HydrophobicContact CE1-CD2 4.23Å; Y142-L178 HydrophobicContact CE1-CG 3.83Å; Y142-L178 PolarHBondContact O-N 3.45Å
143L94.2Very high75.8Confident2 Ų261 Ų611%0.0131%0.311CS..Hα-helixtrans-63.1-43.2177.4-67.4-178000112.1L21 L103 L107 F121 L139 V140 L178 D179 L180 L182L21-L143 HydrophobicContact CD2-CD1 4.43Å; L103-L143 HydrophobicContact CD2-CD2 4.2Å; L107-L143 HydrophobicContact CD1-CD2 4.34Å; F121-L143 HydrophobicContact CE1-CD1 4.38Å; F121-L143 HydrophobicContact CZ-CD1 4.46Å; L139-L143 HydrophobicContact CD1-CG 4.48Å; L139-L143 HydrophobicContact CG-CD1 4.34Å; L139-L143 WeakPolarHBondContact O-CG 3.4Å; L139-L143 PolarHBondContact O-N 2.85Å; V140-L143 PolarHBondContact O-N 3.21Å; L143-L178 HydrophobicContact CD2-CD1 3.9Å; L143-L178 CarbonylContact O-C 3.6Å; L143-D179 PolarHBondContact O-N 2.79Å; L143-L180 HydrophobicContact CB-CD1 4.18Å; L143-L180 HydrophobicContact CD2-CD1 4.02Å; L143-L180 WeakPolarHBondContact O-CB 3.37Å; L143-L180 PolarHBondContact O-N 2.86Å; L143-L182 HydrophobicContact CB-CD1 3.97Å; L143-L182 HydrophobicContact CD1-CD1 4.08Å
144T91.5Very high73.5Confident12 Ų1264.8 Ų64.87%0.07434%0.337CS..Hα-helixtrans-1034.5-167.8640000115.8V140 K146 L182 I215V140-T144 HydrophobicContact CG1-CG2 4.2Å; V140-T144 WeakPolarHBondContact O-CB 3.44Å; V140-T144 WeakPolarHBondContact O-CG2 3.15Å; V140-T144 PolarHBondContact O-N 2.93Å; V140-T144 PolarHBondContact O-OG1 2.95Å; T144-K146 PolarHBondContact O-N 2.99Å; T144-L182 HydrophobicContact CG2-CB 3.94Å; T144-L182 HydrophobicContact CG2-CD1 3.89Å; T144-L182 HydrophobicContact CG2-CG 4.03Å; T144-I215 HydrophobicContact CG2-CG2 4.13Å
145N84.4Confident71Confident84 Ų8470.8 Ų70.845%0.44936%0.356SS..THydrogen-bonded Turntrans56.731.7-178.4-166.815.2000113.7C141 S177 D179C141-N145 WeakPolarHBondContact O-CA 3.49Å; C141-N145 PolarHBondContact O-N 2.57Å; N145-S177 VanDerWaalsContact CG-OG 3.26Å; N145-S177 PolarHBondContact OD1-OG 3.47Å; N145-S177 VanDerWaalsContact OD1-OG 3.13Å; N145-D179 HydrophobicContact CB-CB 4.26Å; N145-D179 WeakPolarHBondContact CB-OD1 3.31Å; N145-D179 PolarHBondContact ND2-OD1 3Å
146K74.4Confident68.4Low78 Ų7877.2 Ų77.234%0.33939%0.39SS..  trans-92.7139.2-178.4-79.3-176169.3-177.80112.4C141 T144 T148 S214 I215C141-K146 WeakPolarHBondContact CB-O 3.13Å; C141-K146 PolarHBondContact O-N 2.93Å; T144-K146 PolarHBondContact O-N 2.99Å; K146-T148 PolarHBondContact O-N 3.22Å; K146-S214 WeakPolarHBondContact CD-O 3.34Å; K146-S214 PolarHBondContact NZ-O 2.91Å; K146-I215 HydrophobicContact CD-CG2 4.01Å
147P63.4Low66Low97 Ų9784.5 Ų84.563%0.6342%0.424SS*.  trans-65.5129.8-178.626.5-34.1000111.4N149P147-N149 VanDerWaalsContact C-N 3.3Å; P147-N149 PolarHBondContact O-N 2.79Å
148T55.1Low63.6Low74 Ų7486.8 Ų86.845%0.45444%0.44SS..  trans-72.884170.739.10000110.1C141 K146 F150C141-T148 HydrophobicContact CB-CG2 3.85Å; K146-T148 PolarHBondContact O-N 3.22Å; T148-F150 CarbonylContact O-C 3.53Å; T148-F150 PolarHBondContact O-N 2.68Å
149N50.5Low60.5Low134 Ų13490.3 Ų90.372%0.71747%0.469SS*.  trans-56.1-13.7177.4-73.7-11.9000114.4P147P147-N149 VanDerWaalsContact C-N 3.3Å; P147-N149 PolarHBondContact O-N 2.79Å
150F50.5Low57.4Low156 Ų15692.6 Ų92.668%0.68448%0.481SS*.SBendtrans-90.3118.5164.7-101.7-103.1000111T148 I152T148-F150 CarbonylContact O-C 3.53Å; T148-F150 PolarHBondContact O-N 2.68Å; F150-I152 PolarHBondContact O-N 2.87Å
151K40.3Very low54.2Low197 Ų19797.7 Ų97.786%0.85751%0.514SS*.  trans-62101.3157.4-73-179.3178.6176.50108.1N153K151-N153 PolarHBondContact O-N 3.5Å; K151-N153 VanDerWaalsContact O-N 3.1Å
152I44.7Very low51Low89 Ų89102.8 Ų102.846%0.45655%0.55SS..  trans-58.2116.7169.8-62.8168.2000107Q138 F150 T154Q138-I152 HydrophobicContact CG-CD1 4.25Å; F150-I152 PolarHBondContact O-N 2.87Å; I152-T154 PolarHBondContact O-N 3.39Å
153N34.5Very low48Very low127 Ų127107.5 Ų107.568%0.67959%0.585SS**  trans-61.4111.9173.1-88.6-34.4000107.9K151 K155 N156K151-N153 PolarHBondContact O-N 3.5Å; K151-N153 VanDerWaalsContact O-N 3.1Å; N153-K155 PolarHBondContact O-N 2.77Å; N153-N156 PolarHBondContact O-N 2.82Å
154T39.6Very low44.6Very low115 Ų115112.6 Ų112.671%0.70662%0.62SS**THydrogen-bonded Turntrans-63.5-1.1-174.347.60000114.8I152I152-T154 PolarHBondContact O-N 3.39Å
155K33.7Very low41.4Very low197 Ų197121.6 Ų121.686%0.85766%0.658SS**THydrogen-bonded Turntrans-79.9-26168.6-62.8-173.2177.7-175.90113.2N153 Q157N153-K155 PolarHBondContact O-N 2.77Å; K155-Q157 PolarHBondContact O-N 3.35Å
156N35.9Very low38.6Very low138 Ų138127 Ų12774%0.73868%0.681SS**  trans-93.745.4172.4-68.137.2000109.7N153 L158N153-N156 PolarHBondContact O-N 2.82Å; N156-L158 PolarHBondContact O-N 2.87Å
157Q42.3Very low36.1Very low154 Ų154128.1 Ų128.172%0.7270%0.699SS**  trans-66.6122156.4-79.7-174.7-11.800107.1K155 S159K155-Q157 PolarHBondContact O-N 3.35Å; Q157-S159 PolarHBondContact O-N 3.32Å
158L39.1Very low34.5Very low96 Ų96129.4 Ų129.450%0.50371%0.71SS.*  trans-65.696.8173.6-178.881.7000109.1E94 N156 L160E94-L158 HydrophobicContact CB-CD2 3.56Å; E94-L158 HydrophobicContact CG-CD2 3.66Å; E94-L158 VanDerWaalsContact OE1-CD1 3.24Å; E94-L158 WeakPolarHBondContact OE1-CD1 3.28Å; E94-L158 VanDerWaalsContact OE1-CD2 3.31Å; E94-L158 WeakPolarHBondContact OE1-CD2 3.34Å; E94-L158 WeakPolarHBondContact OE2-CD2 3.49Å; N156-L158 PolarHBondContact O-N 2.87Å; L158-L160 HydrophobicContact CD2-CD1 3.39Å; L158-L160 HydrophobicContact CG-CD1 3.84Å; L158-L160 PolarHBondContact O-N 3.25Å; L158-L160 VanDerWaalsContact O-N 3.07Å
159S26.5Very low33.5Very low115 Ų115130.7 Ų130.780%0.80472%0.722SS**  trans-80.684.9178.159.80000110.5Q157Q157-S159 PolarHBondContact O-N 3.32Å
160L28.5Very low32.8Very low51 Ų51127.9 Ų127.927%0.26771%0.713SS.*  trans-54.3149157.9-87.579.2000109.2Y91 L158 S162Y91-L160 HydrophobicContact CE2-CD2 3.57Å; Y91-L160 HydrophobicContact CE2-CG 3.93Å; L158-L160 HydrophobicContact CD2-CD1 3.39Å; L158-L160 HydrophobicContact CG-CD1 3.84Å; L158-L160 PolarHBondContact O-N 3.25Å; L158-L160 VanDerWaalsContact O-N 3.07Å; L160-S162 PolarHBondContact O-N 3.37Å
161P25.8Very low32.2Very low108 Ų108126.7 Ų126.770%0.70171%0.713SS**  trans-56135.8178.423.5-33.7000110.7S163P161-S163 PolarHBondContact O-N 2.78Å
162S25.1Very low32.6Very low121 Ų121120.8 Ų120.885%0.84669%0.691SS**  trans-67.296.8-162.258.80000113.6L160L160-S162 PolarHBondContact O-N 3.37Å
163S28Very low33.6Very low113 Ų113124.5 Ų124.579%0.7971%0.707SS**  trans-63.6137.6157.657.50000109.3P161 K165P161-S163 PolarHBondContact O-N 2.78Å; S163-K165 PolarHBondContact O-N 2.88Å
164S23.4Very low35.4Very low108 Ų108120 Ų12076%0.75568%0.684SS**  trans-75.9122.6-164.146.90000112.9Q166S164-Q166 PolarHBondContact O-N 3.08Å
165K23Very low37.3Very low201 Ų201115.6 Ų115.687%0.87466%0.657SS**  trans36.969.8154.9-63.3179.2176.7177.10115.2S163 S167S163-K165 PolarHBondContact O-N 2.88Å; K165-S167 PolarHBondContact O-N 3.48Å; K165-S167 VanDerWaalsContact O-N 3.16Å
166Q26.6Very low39.7Very low199 Ų199113.6 Ų113.693%0.9366%0.656SS**  trans-64.6117.7155.4-77.7-165.1-6.600108.3S164S164-Q166 PolarHBondContact O-N 3.08Å
167S22.2Very low42.1Very low101 Ų101108 Ų10871%0.70663%0.628SS**  trans-78.2143.6-174.942.50000111.5K165 S169K165-S167 PolarHBondContact O-N 3.48Å; K165-S167 VanDerWaalsContact O-N 3.16Å; S167-S169 PolarHBondContact O-N 3.2Å
168S29.9Very low44.4Very low124 Ų124100.7 Ų100.787%0.86759%0.594SS**SBendtrans-6788.9170.155.40000111.7
169S33.3Very low47Very low101 Ų10197.8 Ų97.871%0.70658%0.578SS**  trans-178.989.6156.355.90000114S167S167-S169 PolarHBondContact O-N 3.2Å
170S35.4Very low50.2Low75 Ų7592.3 Ų92.352%0.52454%0.54SS..  trans-152.8151.2147.482.40000109.7D172S170-D172 WeakPolarHBondContact CB-OD2 3.21Å; S170-D172 PolarHBondContact O-N 3.48Å; S170-D172 PolarHBondContact OG-OD2 3Å
171N38.3Very low53.4Low130 Ų13093.9 Ų93.970%0.69555%0.546SS*.  trans-90.523.2-175.9-68.4-12.2000112.5E173N171-E173 PolarHBondContact O-N 2.69Å
172D48.7Very low56.7Low74 Ų7489 Ų8940%0.39651%0.514SS..  trans-83.150.9178.2-51.8-72.1000110.4S6 S170 V174S6-D172 VanDerWaalsContact CB-OD1 3.31Å; S6-D172 WeakPolarHBondContact CB-OD1 3.2Å; S170-D172 WeakPolarHBondContact CB-OD2 3.21Å; S170-D172 PolarHBondContact O-N 3.48Å; S170-D172 PolarHBondContact OG-OD2 3Å; D172-V174 PolarHBondContact O-N 3.3Å
173E67.1Low60Low167 Ų16783.2 Ų83.278%0.7847%0.474SS*.  trans-70.880179.5-68.7-166.3163.800110.7N171N171-E173 PolarHBondContact O-N 2.69Å
174V72.2Confident63.2Low31 Ų3177.9 Ų77.919%0.18844%0.436CS..  trans-55.7130164-1790000108Y9 A104 Y142 D172Y9-V174 HydrophobicContact CD2-CB 4.43Å; Y9-V174 HydrophobicContact CD2-CG1 4.28Å; Y9-V174 HydrophobicContact CD2-CG2 4.03Å; Y9-V174 HydrophobicContact CE2-CG1 4.14Å; Y9-V174 HydrophobicContact CE2-CG2 4.49Å; A104-V174 HydrophobicContact CB-CG1 3.45Å; A104-V174 VanDerWaalsContact CB-CG1 3.45Å; Y142-V174 VanDerWaalsContact OH-CG1 3.28Å; Y142-V174 WeakPolarHBondContact OH-CG1 3.47Å; D172-V174 PolarHBondContact O-N 3.3Å
175P78.8Confident66.7Low23 Ų2372.7 Ų72.715%0.14940%0.4CS..  trans-61.3153.8-173.324.2-34.8000112.4Y9 Y142 S177 L178Y9-P175 HydrophobicContact CD1-CG 3.86Å; Y9-P175 VanDerWaalsContact CE1-CD 3.48Å; Y9-P175 HydrophobicContact CE1-CG 3.71Å; Y142-P175 WeakPolarHBondContact CE2-O 3.47Å; Y142-P175 PolarHBondContact OH-O 3.06Å; P175-S177 PolarHBondContact O-N 2.95Å; P175-L178 HydrophobicContact CG-CD2 4.38Å
176N82.8Confident70.1Confident155 Ų15563.3 Ų63.383%0.82936%0.36SS*.SBendtrans-61-10.8178.2-73.7-42.7000114.1Y142Y142-N176 WeakPolarHBondContact CD2-O 3.38Å; Y142-N176 WeakPolarHBondContact CE2-O 3.46Å
177S87.3Confident73.3Confident22 Ų2253.9 Ų53.915%0.15432%0.315CS..  trans-158.3153.4178.855.70000111Y142 N145 P175Y142-S177 CarbonylContact O-C 2.97Å; Y142-S177 WeakPolarHBondContact O-CA 3.13Å; N145-S177 VanDerWaalsContact CG-OG 3.26Å; N145-S177 PolarHBondContact OD1-OG 3.47Å; N145-S177 VanDerWaalsContact OD1-OG 3.13Å; P175-S177 PolarHBondContact O-N 2.95Å
178L91Very high76.6Confident0 Ų049.2 Ų49.20%028%0.283CS..  trans-98.1-5.8179.2-55.9-171.7000114.9L15 A104 L107 Y142 L143 P175 L180L15-L178 WeakPolarHBondContact CB-O 3.34Å; L15-L178 HydrophobicContact CD1-CB 4.11Å; L15-L178 HydrophobicContact CD1-CD1 4.06Å; L15-L178 HydrophobicContact CD1-CG 4.48Å; L15-L178 HydrophobicContact CG-CB 4.3Å; L15-L178 PolarHBondContact N-O 3.03Å; A104-L178 HydrophobicContact CB-CD1 3.99Å; A104-L178 HydrophobicContact CB-CD2 3.71Å; A104-L178 HydrophobicContact CB-CG 4.44Å; L107-L178 HydrophobicContact CD1-CD1 3.82Å; Y142-L178 HydrophobicContact CD1-CG 4.42Å; Y142-L178 HydrophobicContact CE1-CD1 4.01Å; Y142-L178 HydrophobicContact CE1-CD2 4.23Å; Y142-L178 HydrophobicContact CE1-CG 3.83Å; Y142-L178 PolarHBondContact O-N 3.45Å; L143-L178 HydrophobicContact CD2-CD1 3.9Å; L143-L178 CarbonylContact O-C 3.6Å; P175-L178 HydrophobicContact CG-CD2 4.38Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 HydrophobicContact CB-CD1 4.3Å; L178-L180 HydrophobicContact CB-CG 4.1Å; L178-L180 PolarHBondContact O-N 3.25Å
179D92.5Very high79.5Confident34 Ų3444.3 Ų44.318%0.18225%0.246CC..  trans50.448.4177.1-152.877.9000113.5H16 L143 N145H16-D179 WeakPolarHBondContact CA-O 3.48Å; H16-D179 IonicContact CE1-OD2 2.68Å; H16-D179 PolarHBondContact CE1-OD2 2.94Å; H16-D179 PolarHBondContact N-O 2.57Å; H16-D179 IonicContact ND1-OD2 3.5Å; H16-D179 PolarHBondContact ND1-OD2 2.94Å; L143-D179 PolarHBondContact O-N 2.79Å; N145-D179 HydrophobicContact CB-CB 4.26Å; N145-D179 WeakPolarHBondContact CB-OD1 3.31Å; N145-D179 PolarHBondContact ND2-OD1 3Å
180L95.1Very high81.9Confident1 Ų139.6 Ų39.61%0.00521%0.214CC..  trans-88.9138.6176.4-63.3173.8000111.4L15 L17 L107 L119 F121 L143 L178 L182L15-L180 HydrophobicContact CB-CD2 3.62Å; L15-L180 HydrophobicContact CB-CG 4.48Å; L15-L180 HydrophobicContact CD1-CD2 4.1Å; L15-L180 HydrophobicContact CG-CD2 4.48Å; L17-L180 HydrophobicContact CB-CD2 3.74Å; L17-L180 HydrophobicContact CG-CD2 4.47Å; L107-L180 HydrophobicContact CD1-CD1 4.26Å; L119-L180 HydrophobicContact CD1-CD1 4.18Å; L119-L180 HydrophobicContact CD1-CD2 3.87Å; F121-L180 HydrophobicContact CZ-CD1 4.24Å; L143-L180 HydrophobicContact CB-CD1 4.18Å; L143-L180 HydrophobicContact CD2-CD1 4.02Å; L143-L180 WeakPolarHBondContact O-CB 3.37Å; L143-L180 PolarHBondContact O-N 2.86Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 HydrophobicContact CB-CD1 4.3Å; L178-L180 HydrophobicContact CB-CG 4.1Å; L178-L180 PolarHBondContact O-N 3.25Å; L180-L182 HydrophobicContact CB-CD1 3.95Å; L180-L182 HydrophobicContact CB-CD2 4.03Å; L180-L182 HydrophobicContact CB-CG 3.72Å; L180-L182 HydrophobicContact CD1-CD1 4.23Å; L180-L182 PolarHBondContact O-N 3.06Å
181Q94.6Very high84.3Confident83 Ų8338.9 Ų38.939%0.38820%0.202SC..EExtended strand (participates in β ladder)trans-92.392.6176.1-59.3-55.5-31.600109.2L17 F18 G19L17-Q181 PolarHBondContact O-N 2.87Å; F18-Q181 CarbonylContact C-O 3.43Å; F18-Q181 WeakPolarHBondContact CA-O 3.48Å; F18-Q181 HydrophobicContact CD1-CB 3.6Å; F18-Q181 HydrophobicContact CD1-CG 4.3Å; F18-Q181 HydrophobicContact CE1-CB 3.8Å; F18-Q181 HydrophobicContact CE1-CG 4.03Å; F18-Q181 HydrophobicContact CG-CB 4.29Å; F18-Q181 HydrophobicContact CZ-CG 4.5Å; G19-Q181 PolarHBondContact N-O 3.1Å
182L95.6Very high86.4Confident6 Ų637 Ų373%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-117.2133.6-170.8-56.3-179.6000112.6L21 F121 L143 T144 L180L21-L182 HydrophobicContact CD1-CD1 4.22Å; L21-L182 HydrophobicContact CD2-CD1 3.84Å; L21-L182 HydrophobicContact CG-CB 4.26Å; L21-L182 HydrophobicContact CG-CD1 4.02Å; F121-L182 HydrophobicContact CE2-CD1 4.27Å; F121-L182 HydrophobicContact CE2-CD2 4.04Å; L143-L182 HydrophobicContact CB-CD1 3.97Å; L143-L182 HydrophobicContact CD1-CD1 4.08Å; T144-L182 HydrophobicContact CG2-CB 3.94Å; T144-L182 HydrophobicContact CG2-CD1 3.89Å; T144-L182 HydrophobicContact CG2-CG 4.03Å; L180-L182 HydrophobicContact CB-CD1 3.95Å; L180-L182 HydrophobicContact CB-CD2 4.03Å; L180-L182 HydrophobicContact CB-CG 3.72Å; L180-L182 HydrophobicContact CD1-CD1 4.23Å; L180-L182 PolarHBondContact O-N 3.06Å
183T95.2Very high87.7Confident0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-102.1137.7167.7-69.80000109.6G19 Q20 L21 V185 V218 V306 A309 N310G19-T183 PolarHBondContact O-N 3.26Å; Q20-T183 CarbonylContact C-O 3.55Å; Q20-T183 WeakPolarHBondContact CA-O 3.18Å; L21-T183 PolarHBondContact N-O 3.01Å; T183-V185 HydrophobicContact CG2-CG2 4.48Å; T183-V218 HydrophobicContact CG2-CB 4.45Å; T183-V218 HydrophobicContact CG2-CG2 3.86Å; T183-V306 HydrophobicContact CG2-CG1 3.93Å; T183-V306 HydrophobicContact CG2-CG2 4.45Å; T183-V306 PolarHBondContact OG1-O 2.85Å; T183-A309 HydrophobicContact CG2-CB 3.89Å; T183-A309 VanDerWaalsContact OG1-C 3.26Å; T183-A309 WeakPolarHBondContact OG1-CB 3.13Å; T183-N310 WeakPolarHBondContact OG1-CB 3.46Å; T183-N310 PolarHBondContact OG1-N 3.03Å
184S94.9Very high88.2Confident0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-75.5127.4166-175.50000109.7L21 I23 P216 H217 V218L21-S184 WeakPolarHBondContact O-CA 3.32Å; I23-S184 WeakPolarHBondContact CD1-OG 3.36Å; I23-S184 WeakPolarHBondContact CG1-OG 3.48Å; S184-P216 PolarHBondContact N-O 3.41Å; S184-H217 WeakPolarHBondContact CB-CD2 3.42Å; S184-H217 WeakPolarHBondContact O-CA 3.4Å; S184-H217 PolarHBondContact OG-CD2 2.94Å; S184-H217 PolarHBondContact OG-NE2 3.43Å; S184-V218 PolarHBondContact O-N 3.46Å
185V95.7Very high88.5Confident0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-112106.4173.1-176.40000107.3Q20 L21 I23 Y33 T183 L187 I220 V306Q20-V185 HydrophobicContact CB-CG2 4Å; Q20-V185 HydrophobicContact CG-CG2 4.4Å; L21-V185 PolarHBondContact O-N 3.17Å; I23-V185 PolarHBondContact N-O 2.92Å; Y33-V185 HydrophobicContact CE1-CG1 3.93Å; T183-V185 HydrophobicContact CG2-CG2 4.48Å; V185-L187 HydrophobicContact CG1-CD1 3.91Å; V185-I220 HydrophobicContact CG1-CD1 3.41Å; V185-I220 VanDerWaalsContact CG1-CD1 3.41Å; V185-I220 HydrophobicContact CG1-CG1 4.25Å; V185-V306 HydrophobicContact CG2-CG1 3.96Å; V185-V306 HydrophobicContact CG2-CG2 3.68Å
186H94.6Very high88.3Confident4 Ų428 Ų282%0.01914%0.144CC..EExtended strand (participates in β ladder)trans-101.7102.5-173.3-173-153.2000110.9I23 G24 I188 S206 H217 V218 I220I23-H186 HydrophobicContact CD1-CB 4.2Å; I23-H186 HydrophobicContact CG1-CB 3.9Å; I23-H186 WeakPolarHBondContact O-CA 3.43Å; G24-H186 VanDerWaalsContact CA-CD2 3.41Å; G24-H186 WeakPolarHBondContact CA-CD2 3.49Å; H186-I188 WeakPolarHBondContact CE1-CD1 3.38Å; H186-S206 PolarHBondContact CE1-OG 2.89Å; H186-S206 VanDerWaalsContact CE1-OG 3.23Å; H186-S206 PolarHBondContact ND1-OG 3.37Å; H186-S206 VanDerWaalsContact ND1-OG 3.08Å; H186-H217 VanDerWaalsContact CB-CE1 3.44Å; H186-H217 WeakPolarHBondContact CB-CE1 3.45Å; H186-H217 AromaticContact CG-CE1 3.9Å; H186-H217 AromaticContact ND1-CE1 3.88Å; H186-V218 PolarHBondContact N-O 3.2Å; H186-I220 PolarHBondContact O-N 3.18Å
187L94.4Very high88.1Confident0 Ų022.1 Ų22.10%012%0.12CC..EExtended strand (participates in β ladder)trans-89.3122.1177.2-66.392.4000110.4V22 I23 S28 Y33 V185 I220 L291V22-L187 HydrophobicContact CG1-CD1 3.49Å; V22-L187 VanDerWaalsContact CG1-CD1 3.49Å; I23-L187 PolarHBondContact O-N 2.91Å; S28-L187 WeakPolarHBondContact CB-O 3.35Å; S28-L187 PolarHBondContact OG-O 3.11Å; Y33-L187 HydrophobicContact CD1-CD1 4.02Å; Y33-L187 HydrophobicContact CD1-CD2 4.41Å; Y33-L187 HydrophobicContact CD2-CD2 4.17Å; Y33-L187 HydrophobicContact CE1-CD1 4.49Å; Y33-L187 HydrophobicContact CG-CD1 4.23Å; Y33-L187 HydrophobicContact CG-CD2 3.79Å; V185-L187 HydrophobicContact CG1-CD1 3.91Å; L187-I220 HydrophobicContact CG-CB 4.33Å; L187-I220 HydrophobicContact CG-CG2 4.46Å; L187-L291 HydrophobicContact CD2-CD2 4.03Å
188I91.2Very high87.9Confident4 Ų424.2 Ų24.22%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-121.1146.7171.9-69165.2000108.1H186 Y192 C202 S206 I220 L221 S222 F288H186-I188 WeakPolarHBondContact CE1-CD1 3.38Å; I188-Y192 HydrophobicContact CG2-CD2 3.53Å; I188-Y192 HydrophobicContact CG2-CE2 4.22Å; I188-Y192 HydrophobicContact CG2-CG 4.19Å; I188-C202 HydrophobicContact CD1-CB 4.37Å; I188-C202 HydrophobicContact CG2-CB 4.16Å; I188-S206 WeakPolarHBondContact CD1-OG 3.26Å; I188-I220 PolarHBondContact N-O 3.39Å; I188-L221 CarbonylContact O-C 3.42Å; I188-L221 WeakPolarHBondContact O-CA 3.27Å; I188-S222 PolarHBondContact O-N 3.41Å; I188-S222 PolarHBondContact O-OG 2.9Å; I188-F288 HydrophobicContact CD1-CE1 4.11Å
189D90.7Very high87.4Confident20 Ų2024.2 Ų24.211%0.10713%0.127CC..EExtended strand (participates in β ladder)trans-68135.5-180-157.1-52000112H191 Y192 K223D189-H191 HydrophobicContact CB-CB 4.46Å; D189-H191 PolarHBondContact O-N 2.84Å; D189-H191 VanDerWaalsContact O-N 3.13Å; D189-H191 WeakPolarHBondContact OD1-CB 3.48Å; D189-H191 PolarHBondContact OD1-N 3.17Å; D189-Y192 HydrophobicContact CB-CD2 3.7Å; D189-Y192 HydrophobicContact CB-CE2 3.69Å; D189-Y192 WeakPolarHBondContact O-CD2 3.36Å; D189-Y192 PolarHBondContact O-N 3.13Å; D189-Y192 VanDerWaalsContact O-N 3.1Å; D189-K223 WeakPolarHBondContact OD2-CE 3.13Å; D189-K223 IonicContact OD2-NZ 2.7Å; D189-K223 PolarHBondContact OD2-NZ 3.45Å
190S84.7Confident86.9Confident3 Ų323.5 Ų23.52%0.02112%0.123CC..G310 helixtrans-56.8-25.3172.868.10000112.8Y192 C193 S222 K223S190-Y192 PolarHBondContact O-N 2.85Å; S190-Y192 VanDerWaalsContact O-N 3.1Å; S190-C193 WeakPolarHBondContact O-CB 3.34Å; S190-C193 PolarHBondContact O-N 3.35Å; S190-S222 VanDerWaalsContact CB-O 3.24Å; S190-S222 WeakPolarHBondContact CB-O 3.43Å; S190-S222 PolarHBondContact N-O 3.17Å; S190-S222 PolarHBondContact OG-O 2.9Å; S190-K223 WeakPolarHBondContact CB-O 3.16Å; S190-K223 PolarHBondContact OG-O 3.25Å
191H85.4Confident86.3Confident59 Ų5925.9 Ų25.927%0.27314%0.143SC..G310 helixtrans-53.7-30.8174.3-177.373.6000113.4D189 C193 S194 K198 Y230D189-H191 HydrophobicContact CB-CB 4.46Å; D189-H191 PolarHBondContact O-N 2.84Å; D189-H191 VanDerWaalsContact O-N 3.13Å; D189-H191 WeakPolarHBondContact OD1-CB 3.48Å; D189-H191 PolarHBondContact OD1-N 3.17Å; H191-C193 PolarHBondContact O-N 3.06Å; H191-S194 WeakPolarHBondContact O-CB 3.39Å; H191-S194 PolarHBondContact O-N 3.32Å; H191-S194 VanDerWaalsContact O-N 3.11Å; H191-S194 PolarHBondContact O-OG 3.49Å; H191-K198 PolarHBondContact NE2-NZ 3.25Å; H191-Y230 HydrophobicContact CB-CD2 4.02Å; H191-Y230 HydrophobicContact CB-CE2 3.66Å; H191-Y230 AromaticContact CE1-CD1 3.91Å; H191-Y230 AromaticContact ND1-CD1 3.23Å; H191-Y230 WeakPolarHBondContact ND1-CD1 3.43Å; H191-Y230 AromaticContact ND1-CD2 3.64Å; H191-Y230 AromaticContact ND1-CE1 3.44Å; H191-Y230 WeakPolarHBondContact ND1-CE1 3.49Å; H191-Y230 AromaticContact ND1-CE2 3.82Å; H191-Y230 AromaticContact ND1-CG 3.36Å; H191-Y230 AromaticContact ND1-CZ 3.74Å
192Y81.8Confident85.9Confident90 Ų9022.3 Ų22.335%0.35313%0.127SC..G310 helixtrans-67.4-14.2179.4-66.9-79.4000113.4I188 D189 S190 S194 K198 F199I188-Y192 HydrophobicContact CG2-CD2 3.53Å; I188-Y192 HydrophobicContact CG2-CE2 4.22Å; I188-Y192 HydrophobicContact CG2-CG 4.19Å; D189-Y192 HydrophobicContact CB-CD2 3.7Å; D189-Y192 HydrophobicContact CB-CE2 3.69Å; D189-Y192 WeakPolarHBondContact O-CD2 3.36Å; D189-Y192 PolarHBondContact O-N 3.13Å; D189-Y192 VanDerWaalsContact O-N 3.1Å; S190-Y192 PolarHBondContact O-N 2.85Å; S190-Y192 VanDerWaalsContact O-N 3.1Å; Y192-S194 VanDerWaalsContact C-N 3.32Å; Y192-K198 HydrophobicContact CD1-CB 4.15Å; Y192-K198 WeakPolarHBondContact O-CB 3.24Å; Y192-F199 WeakPolarHBondContact O-CA 3.37Å; Y192-F199 PolarHBondContact O-N 2.84Å; Y192-F199 VanDerWaalsContact O-N 3.13Å
193C77Confident85.4Confident3 Ų322.1 Ų22.12%0.0213%0.126CC..G310 helixtrans-77.4-12172.8-65.90000114S190 H191 D195 L233 F240S190-C193 WeakPolarHBondContact O-CB 3.34Å; S190-C193 PolarHBondContact O-N 3.35Å; H191-C193 PolarHBondContact O-N 3.06Å; C193-D195 PolarHBondContact O-N 3.28Å; C193-L233 HydrophobicContact CB-CD2 3.97Å; C193-L233 VanDerWaalsContact O-CD2 3.3Å; C193-L233 WeakPolarHBondContact O-CD2 3.37Å; C193-F240 HydrophobicContact CB-CD2 4.45Å; C193-F240 HydrophobicContact CB-CE1 3.98Å; C193-F240 HydrophobicContact CB-CE2 3.85Å; C193-F240 HydrophobicContact CB-CZ 3.58Å
194S77.6Confident85Confident34 Ų3424.8 Ų24.824%0.23814%0.14CC..G310 helixtrans-69.3-4.2179.361.60000115.3H191 Y192 K198H191-S194 WeakPolarHBondContact O-CB 3.39Å; H191-S194 PolarHBondContact O-N 3.32Å; H191-S194 VanDerWaalsContact O-N 3.11Å; H191-S194 PolarHBondContact O-OG 3.49Å; Y192-S194 VanDerWaalsContact C-N 3.32Å; S194-K198 PolarHBondContact OG-NZ 3.49Å
195D77.6Confident84.7Confident65 Ų6527 Ų2735%0.34815%0.153SC..SBendtrans-157.1125.4-172.1169.3159.1000108.5C193 G197 K198 F199C193-D195 PolarHBondContact O-N 3.28Å; D195-G197 VanDerWaalsContact C-N 3.26Å; D195-G197 PolarHBondContact O-N 2.83Å; D195-G197 WeakPolarHBondContact OD2-CA 3.4Å; D195-G197 PolarHBondContact OD2-N 3.42Å; D195-K198 HydrophobicContact CB-CB 3.89Å; D195-K198 HydrophobicContact CB-CD 3.7Å; D195-K198 HydrophobicContact CB-CG 3.7Å; D195-K198 WeakPolarHBondContact O-CB 3.37Å; D195-K198 PolarHBondContact O-N 3.18Å; D195-K198 WeakPolarHBondContact OD1-CE 3.48Å; D195-K198 PolarHBondContact OD2-N 2.98Å; D195-F199 PolarHBondContact O-N 3.16Å
196A75.3Confident84.3Confident5 Ų527 Ų274%0.04115%0.153CC..Hα-helixtrans-55.1-38.8-178.400000113.5I200 F235 L249 L253A196-I200 WeakPolarHBondContact O-CD1 3.39Å; A196-I200 VanDerWaalsContact O-CG1 3.26Å; A196-I200 WeakPolarHBondContact O-CG1 3.44Å; A196-I200 PolarHBondContact O-N 2.89Å; A196-F235 HydrophobicContact CB-CE2 4.47Å; A196-F235 HydrophobicContact CB-CZ 4.29Å; A196-L249 HydrophobicContact CB-CD2 3.44Å; A196-L249 VanDerWaalsContact CB-CD2 3.44Å; A196-L253 HydrophobicContact CB-CD2 3.97Å; A196-L253 HydrophobicContact CB-CG 4.02Å
197G77.4Confident84Confident32 Ų3227.4 Ų27.433%0.3316%0.156SC..Hα-helixtrans-73.2-40.1178.200000112.6D195 F199 I200 A201D195-G197 VanDerWaalsContact C-N 3.26Å; D195-G197 PolarHBondContact O-N 2.83Å; D195-G197 WeakPolarHBondContact OD2-CA 3.4Å; D195-G197 PolarHBondContact OD2-N 3.42Å; G197-F199 VanDerWaalsContact C-N 3.33Å; G197-I200 PolarHBondContact O-N 3.18Å; G197-A201 WeakPolarHBondContact O-CB 3.48Å; G197-A201 PolarHBondContact O-N 3.35Å
198K83.2Confident83.7Confident66 Ų6629.2 Ų29.229%0.28717%0.168SC..Hα-helixtrans-58.9-45.6170.6-72.5-176.8-144.8161.60111.1H191 Y192 S194 D195 A201 C202H191-K198 PolarHBondContact NE2-NZ 3.25Å; Y192-K198 HydrophobicContact CD1-CB 4.15Å; Y192-K198 WeakPolarHBondContact O-CB 3.24Å; S194-K198 PolarHBondContact OG-NZ 3.49Å; D195-K198 HydrophobicContact CB-CB 3.89Å; D195-K198 HydrophobicContact CB-CD 3.7Å; D195-K198 HydrophobicContact CB-CG 3.7Å; D195-K198 WeakPolarHBondContact O-CB 3.37Å; D195-K198 PolarHBondContact O-N 3.18Å; D195-K198 WeakPolarHBondContact OD1-CE 3.48Å; D195-K198 PolarHBondContact OD2-N 2.98Å; K198-A201 PolarHBondContact O-N 2.67Å; K198-C202 WeakPolarHBondContact O-CB 3.47Å; K198-C202 PolarHBondContact O-N 3.23Å
199F80.9Confident83.6Confident0 Ų029.1 Ų29.10%017%0.168CC..Hα-helixtrans-63.3-48-179.8-178.5-109.5000111.4Y192 D195 G197 A201 C202 V203 F240 L244 L246 L249 F288Y192-F199 WeakPolarHBondContact O-CA 3.37Å; Y192-F199 PolarHBondContact O-N 2.84Å; Y192-F199 VanDerWaalsContact O-N 3.13Å; D195-F199 PolarHBondContact O-N 3.16Å; G197-F199 VanDerWaalsContact C-N 3.33Å; F199-A201 VanDerWaalsContact C-N 3.29Å; F199-A201 PolarHBondContact O-N 3.34Å; F199-C202 WeakPolarHBondContact O-CA 3.48Å; F199-C202 VanDerWaalsContact O-CB 3.24Å; F199-C202 WeakPolarHBondContact O-CB 3.44Å; F199-C202 PolarHBondContact O-N 2.92Å; F199-V203 HydrophobicContact CD1-CG2 4.11Å; F199-V203 HydrophobicContact CD2-CG2 4.38Å; F199-V203 HydrophobicContact CE1-CG2 3.63Å; F199-V203 HydrophobicContact CE2-CG2 3.92Å; F199-V203 HydrophobicContact CG-CG2 4.46Å; F199-V203 HydrophobicContact CZ-CG2 3.5Å; F199-V203 WeakPolarHBondContact O-CG2 3.47Å; F199-V203 PolarHBondContact O-N 3.34Å; F199-F240 HydrophobicContact CD1-CD1 4.29Å; F199-F240 HydrophobicContact CD1-CE1 4Å; F199-F240 AromaticContact CD2-CD1 3.86Å; F199-F240 HydrophobicContact CD2-CD1 3.86Å; F199-F240 AromaticContact CD2-CE1 3.78Å; F199-F240 HydrophobicContact CD2-CE1 3.78Å; F199-F240 AromaticContact CE1-CD1 3.96Å; F199-F240 HydrophobicContact CE1-CD1 3.96Å; F199-F240 HydrophobicContact CE1-CE1 4.14Å; F199-F240 AromaticContact CE2-CD1 3.52Å; F199-F240 HydrophobicContact CE2-CD1 3.52Å; F199-F240 AromaticContact CE2-CE1 3.94Å; F199-F240 HydrophobicContact CE2-CE1 3.94Å; F199-F240 HydrophobicContact CG-CD1 4.25Å; F199-F240 AromaticContact CG-CE1 3.83Å; F199-F240 HydrophobicContact CG-CE1 3.83Å; F199-F240 AromaticContact CZ-CD1 3.58Å; F199-F240 HydrophobicContact CZ-CD1 3.58Å; F199-F240 HydrophobicContact CZ-CE1 4.13Å; F199-L244 HydrophobicContact CE1-CD2 4.02Å; F199-L244 HydrophobicContact CZ-CD2 4Å; F199-L246 HydrophobicContact CE1-CD2 4.48Å; F199-L249 HydrophobicContact CD1-CD1 4.15Å; F199-F288 HydrophobicContact CE2-CD2 4.32Å; F199-F288 AromaticContact CE2-CE2 3.98Å; F199-F288 HydrophobicContact CE2-CE2 3.98Å; F199-F288 HydrophobicContact CE2-CZ 4.41Å; F199-F288 HydrophobicContact CZ-CD2 4.32Å; F199-F288 AromaticContact CZ-CE2 3.98Å; F199-F288 HydrophobicContact CZ-CE2 3.98Å
200I81.6Confident83.4Confident18 Ų1829.1 Ų29.19%0.09217%0.168CC..Hα-helixtrans-58.9-39.5176.6-69.7163.2000111.7A196 G197 V203 L204 L249 L253 I276 I277 I280A196-I200 WeakPolarHBondContact O-CD1 3.39Å; A196-I200 VanDerWaalsContact O-CG1 3.26Å; A196-I200 WeakPolarHBondContact O-CG1 3.44Å; A196-I200 PolarHBondContact O-N 2.89Å; G197-I200 PolarHBondContact O-N 3.18Å; I200-V203 PolarHBondContact O-N 3.38Å; I200-L204 HydrophobicContact CG2-CD1 4.12Å; I200-L204 HydrophobicContact CG2-CG 4.49Å; I200-L204 WeakPolarHBondContact O-CB 3.41Å; I200-L204 WeakPolarHBondContact O-CG 3.45Å; I200-L204 PolarHBondContact O-N 2.79Å; I200-L249 HydrophobicContact CD1-CB 4.3Å; I200-L249 HydrophobicContact CD1-CD1 4.25Å; I200-L249 HydrophobicContact CG1-CD1 4.09Å; I200-L253 HydrophobicContact CD1-CD1 3.89Å; I200-I276 HydrophobicContact CG2-CG2 3.68Å; I200-I277 HydrophobicContact CD1-CD1 4.09Å; I200-I280 HydrophobicContact CG2-CD1 4.42Å
201A84Confident83.6Confident52 Ų5233.9 Ų33.943%0.4319%0.192SC..Hα-helixtrans-65.2-38.3174.500000112.8G197 K198 F199 T205G197-A201 WeakPolarHBondContact O-CB 3.48Å; G197-A201 PolarHBondContact O-N 3.35Å; K198-A201 PolarHBondContact O-N 2.67Å; F199-A201 VanDerWaalsContact C-N 3.29Å; F199-A201 PolarHBondContact O-N 3.34Å; A201-T205 WeakPolarHBondContact O-CB 3.39Å; A201-T205 PolarHBondContact O-N 2.94Å; A201-T205 PolarHBondContact O-OG1 3.28Å
202C85.9Confident83.6Confident8 Ų833.5 Ų33.55%0.05419%0.19CC..Hα-helixtrans-60.5-45.3172.2133.60000111.7I188 K198 F199 T205 S206I188-C202 HydrophobicContact CD1-CB 4.37Å; I188-C202 HydrophobicContact CG2-CB 4.16Å; K198-C202 WeakPolarHBondContact O-CB 3.47Å; K198-C202 PolarHBondContact O-N 3.23Å; F199-C202 WeakPolarHBondContact O-CA 3.48Å; F199-C202 VanDerWaalsContact O-CB 3.24Å; F199-C202 WeakPolarHBondContact O-CB 3.44Å; F199-C202 PolarHBondContact O-N 2.92Å; C202-T205 PolarHBondContact O-N 2.87Å; C202-S206 PolarHBondContact O-N 2.96Å; C202-S206 PolarHBondContact O-OG 3.23Å
203V85.2Confident84Confident1 Ų129.3 Ų29.31%0.00617%0.174CC..Hα-helixtrans-65.4-46.6178.4175.60000111.2F199 I200 T205 S206 L207 I280 V286 F288F199-V203 HydrophobicContact CD1-CG2 4.11Å; F199-V203 HydrophobicContact CD2-CG2 4.38Å; F199-V203 HydrophobicContact CE1-CG2 3.63Å; F199-V203 HydrophobicContact CE2-CG2 3.92Å; F199-V203 HydrophobicContact CG-CG2 4.46Å; F199-V203 HydrophobicContact CZ-CG2 3.5Å; F199-V203 WeakPolarHBondContact O-CG2 3.47Å; F199-V203 PolarHBondContact O-N 3.34Å; I200-V203 PolarHBondContact O-N 3.38Å; V203-T205 VanDerWaalsContact C-N 3.32Å; V203-T205 PolarHBondContact O-N 2.86Å; V203-S206 WeakPolarHBondContact O-CB 3.43Å; V203-S206 PolarHBondContact O-N 3.41Å; V203-L207 WeakPolarHBondContact O-CB 3.48Å; V203-L207 PolarHBondContact O-N 3.08Å; V203-I280 HydrophobicContact CB-CD1 4.32Å; V203-I280 HydrophobicContact CG1-CB 4.36Å; V203-I280 HydrophobicContact CG1-CD1 3.74Å; V203-I280 HydrophobicContact CG1-CG1 3.86Å; V203-I280 HydrophobicContact CG1-CG2 3.5Å; V203-I280 VanDerWaalsContact CG1-CG2 3.5Å; V203-V286 HydrophobicContact CG1-CB 4.28Å; V203-V286 HydrophobicContact CG1-CG1 4.15Å; V203-V286 HydrophobicContact CG1-CG2 4.33Å; V203-F288 HydrophobicContact CG2-CE2 3.96Å; V203-F288 HydrophobicContact CG2-CZ 4.2Å
204L86.5Confident84.5Confident56 Ų5631.8 Ų31.829%0.29319%0.192SC..Hα-helixtrans-62.6-37.2176.2-73.4173.7000112.5I200 L207 S208 I276 I280I200-L204 HydrophobicContact CG2-CD1 4.12Å; I200-L204 HydrophobicContact CG2-CG 4.49Å; I200-L204 WeakPolarHBondContact O-CB 3.41Å; I200-L204 WeakPolarHBondContact O-CG 3.45Å; I200-L204 PolarHBondContact O-N 2.79Å; L204-L207 PolarHBondContact O-N 2.95Å; L204-S208 WeakPolarHBondContact O-CB 3.43Å; L204-S208 PolarHBondContact O-N 3.17Å; L204-I276 HydrophobicContact CD1-CG2 3.94Å; L204-I276 HydrophobicContact CD2-CG2 4.29Å; L204-I276 HydrophobicContact CG-CG2 4.37Å; L204-I280 HydrophobicContact CD2-CD1 4.32Å; L204-I280 HydrophobicContact CD2-CG1 4.41Å; L204-I280 HydrophobicContact CG-CD1 4.42Å
205T87.5Confident85.2Confident47 Ų4730.6 Ų30.629%0.28818%0.183SC..Hα-helixtrans-64.6-42.3174-570000111T131 A201 C202 V203 S208 A209T131-T205 HydrophobicContact CG2-CG2 4.28Å; A201-T205 WeakPolarHBondContact O-CB 3.39Å; A201-T205 PolarHBondContact O-N 2.94Å; A201-T205 PolarHBondContact O-OG1 3.28Å; C202-T205 PolarHBondContact O-N 2.87Å; V203-T205 VanDerWaalsContact C-N 3.32Å; V203-T205 PolarHBondContact O-N 2.86Å; T205-S208 PolarHBondContact O-N 2.81Å; T205-A209 PolarHBondContact O-N 2.96Å
206S88.3Confident85.8Confident0 Ų029.9 Ų29.90%018%0.182CC..Hα-helixtrans-62.7-45.8175.3-57.10000112.5H186 I188 C202 V203 S208 A209 M210H186-S206 PolarHBondContact CE1-OG 2.89Å; H186-S206 VanDerWaalsContact CE1-OG 3.23Å; H186-S206 PolarHBondContact ND1-OG 3.37Å; H186-S206 VanDerWaalsContact ND1-OG 3.08Å; I188-S206 WeakPolarHBondContact CD1-OG 3.26Å; C202-S206 PolarHBondContact O-N 2.96Å; C202-S206 PolarHBondContact O-OG 3.23Å; V203-S206 WeakPolarHBondContact O-CB 3.43Å; V203-S206 PolarHBondContact O-N 3.41Å; S206-S208 VanDerWaalsContact C-N 3.33Å; S206-S208 PolarHBondContact O-N 2.89Å; S206-A209 PolarHBondContact O-N 3.4Å; S206-M210 VanDerWaalsContact O-CB 3.3Å; S206-M210 WeakPolarHBondContact O-CB 3.37Å; S206-M210 PolarHBondContact O-N 2.91Å
207L87.1Confident86.5Confident13 Ų1330.8 Ų30.87%0.06819%0.185CC..Hα-helixtrans-59.2-45.5175.3-169.583.9000111.1V203 L204 M210 L211 L279 H283 V286V203-L207 WeakPolarHBondContact O-CB 3.48Å; V203-L207 PolarHBondContact O-N 3.08Å; L204-L207 PolarHBondContact O-N 2.95Å; L207-M210 HydrophobicContact CD1-CE 4Å; L207-M210 PolarHBondContact O-N 3.43Å; L207-L211 HydrophobicContact CG-CD1 4.24Å; L207-L211 WeakPolarHBondContact O-CG 3.28Å; L207-L211 PolarHBondContact O-N 3.48Å; L207-L279 HydrophobicContact CD2-CD2 4.46Å; L207-L279 HydrophobicContact CD2-CG 4.5Å; L207-H283 HydrophobicContact CD1-CB 3.56Å; L207-V286 HydrophobicContact CD1-CG2 4.11Å
208S88.2Confident87.2Confident37 Ų3729.9 Ų29.926%0.25917%0.173SC..Hα-helixtrans-61.2-48178.1-172.20000111.8L204 T205 S206 M210 L211 Q212L204-S208 WeakPolarHBondContact O-CB 3.43Å; L204-S208 PolarHBondContact O-N 3.17Å; T205-S208 PolarHBondContact O-N 2.81Å; S206-S208 VanDerWaalsContact C-N 3.33Å; S206-S208 PolarHBondContact O-N 2.89Å; S208-M210 PolarHBondContact O-N 3Å; S208-L211 PolarHBondContact O-N 3.34Å; S208-Q212 WeakPolarHBondContact O-CA 3.35Å; S208-Q212 WeakPolarHBondContact O-CG 3.37Å; S208-Q212 PolarHBondContact O-N 3.32Å
209A88.9Confident87.5Confident2 Ų226.8 Ų26.82%0.01716%0.159CC..Hα-helixtrans-63-40176.900000112.7I23 T205 S206 Q212 L213I23-A209 HydrophobicContact CD1-CB 4.1Å; T205-A209 PolarHBondContact O-N 2.96Å; S206-A209 PolarHBondContact O-N 3.4Å; A209-Q212 CarbonylContact O-C 3.56Å; A209-Q212 VanDerWaalsContact O-CA 3.25Å; A209-Q212 WeakPolarHBondContact O-CA 3.41Å; A209-Q212 PolarHBondContact O-N 3.32Å; A209-L213 PolarHBondContact O-N 3.4Å
210M88.1Confident88.1Confident21 Ų2126.8 Ų26.810%0.10316%0.159CC..Hα-helixtrans-63-47.4177.1175.4165.949.100112.2S206 L207 S208 Q212 S214 H217 I285 V286S206-M210 VanDerWaalsContact O-CB 3.3Å; S206-M210 WeakPolarHBondContact O-CB 3.37Å; S206-M210 PolarHBondContact O-N 2.91Å; L207-M210 HydrophobicContact CD1-CE 4Å; L207-M210 PolarHBondContact O-N 3.43Å; S208-M210 PolarHBondContact O-N 3Å; M210-Q212 VanDerWaalsContact C-N 3.29Å; M210-Q212 PolarHBondContact O-N 2.99Å; M210-S214 PolarHBondContact O-N 3.25Å; M210-H217 HydrophobicContact CB-CB 4.35Å; M210-H217 HydrophobicContact CG-CB 3.97Å; M210-H217 HydrophobicContact SD-CB 3.72Å; M210-I285 HydrophobicContact CE-CB 4.06Å; M210-I285 HydrophobicContact CE-CG2 4.03Å; M210-I285 HydrophobicContact SD-CB 4.25Å; M210-I285 HydrophobicContact SD-CG2 3.55Å; M210-I285 VanDerWaalsContact SD-CG2 3.55Å; M210-V286 HydrophobicContact CE-CG2 4.04Å
211L87.2Confident88.5Confident102 Ų10226 Ų2653%0.53416%0.155SC..Hα-helixtrans-63.3-38.7172.2-66.1171.2000111.2R137 L207 S208 S214R137-L211 PolarHBondContact NH1-O 2.94Å; L207-L211 HydrophobicContact CG-CD1 4.24Å; L207-L211 WeakPolarHBondContact O-CG 3.28Å; L207-L211 PolarHBondContact O-N 3.48Å; S208-L211 PolarHBondContact O-N 3.34Å; L211-S214 PolarHBondContact O-OG 2.95Å
212Q87Confident88.9Confident51 Ų5123.5 Ų23.524%0.23814%0.135CC..Hα-helixtrans-41.3-67.7167.466.8155.6-57.700114.1Y130 T131 R137 S208 A209 M210Y130-Q212 WeakPolarHBondContact O-CG 3.15Å; Y130-Q212 PolarHBondContact O-OE1 3.47Å; T131-Q212 VanDerWaalsContact C-CD 3.47Å; T131-Q212 VanDerWaalsContact O-CD 3.27Å; T131-Q212 PolarHBondContact O-NE2 3.09Å; T131-Q212 PolarHBondContact O-OE1 2.8Å; R137-Q212 WeakPolarHBondContact CD-O 3.47Å; R137-Q212 WeakPolarHBondContact CG-O 3.3Å; R137-Q212 PolarHBondContact NH1-O 3.14Å; S208-Q212 WeakPolarHBondContact O-CA 3.35Å; S208-Q212 WeakPolarHBondContact O-CG 3.37Å; S208-Q212 PolarHBondContact O-N 3.32Å; A209-Q212 CarbonylContact O-C 3.56Å; A209-Q212 VanDerWaalsContact O-CA 3.25Å; A209-Q212 WeakPolarHBondContact O-CA 3.41Å; A209-Q212 PolarHBondContact O-N 3.32Å; M210-Q212 VanDerWaalsContact C-N 3.29Å; M210-Q212 PolarHBondContact O-N 2.99Å
213L89.3Confident89.1Confident3 Ų325.6 Ų25.62%0.01614%0.143CC..Hα-helixtrans-87.9-22.7-170.2-55.4-176.6000112.8I23 Y130 M136 V140 A209 I215I23-L213 HydrophobicContact CD1-CD1 3.98Å; I23-L213 HydrophobicContact CG2-CD1 4.44Å; Y130-L213 HydrophobicContact CD1-CD1 4.32Å; Y130-L213 HydrophobicContact CD1-CD2 4.48Å; M136-L213 HydrophobicContact CB-CD2 4.2Å; V140-L213 HydrophobicContact CG1-CB 4.45Å; V140-L213 HydrophobicContact CG2-CD2 4.02Å; A209-L213 PolarHBondContact O-N 3.4Å; L213-I215 HydrophobicContact CB-CD1 4.29Å; L213-I215 HydrophobicContact CB-CG1 3.85Å; L213-I215 PolarHBondContact O-N 3.29Å
214S88.3Confident89Confident55 Ų5525.6 Ų25.639%0.38514%0.143SC..  trans56.531.6177.3-54.90000114R137 K146 M210 L211R137-S214 PolarHBondContact NH1-OG 2.93Å; R137-S214 PolarHBondContact NH2-OG 2.89Å; K146-S214 WeakPolarHBondContact CD-O 3.34Å; K146-S214 PolarHBondContact NZ-O 2.91Å; M210-S214 PolarHBondContact O-N 3.25Å; L211-S214 PolarHBondContact O-OG 2.95Å
215I90.9Very high88.8Confident9 Ų925.8 Ų25.85%0.04615%0.145CC..SBendtrans-116.9160.6175.957.4172.1000110.9L21 V140 T144 K146 L213 H217L21-I215 HydrophobicContact CD1-CD1 3.74Å; L21-I215 HydrophobicContact CG-CD1 4.39Å; V140-I215 HydrophobicContact CG1-CD1 4.04Å; V140-I215 HydrophobicContact CG1-CG1 4.45Å; V140-I215 HydrophobicContact CG1-CG2 3.67Å; T144-I215 HydrophobicContact CG2-CG2 4.13Å; K146-I215 HydrophobicContact CD-CG2 4.01Å; L213-I215 HydrophobicContact CB-CD1 4.29Å; L213-I215 HydrophobicContact CB-CG1 3.85Å; L213-I215 PolarHBondContact O-N 3.29Å; I215-H217 PolarHBondContact O-N 3.32Å
216P91.4Very high88.6Confident50 Ų5025.2 Ų25.233%0.32514%0.14SC..  trans-50.2139.8171.5-25.435.5000110.6S184 A309S184-P216 PolarHBondContact N-O 3.41Å; P216-A309 HydrophobicContact CB-CB 3.99Å; P216-A309 WeakPolarHBondContact CG-O 3.07Å
217H89.2Confident87.9Confident24 Ų2425.9 Ų25.911%0.11114%0.143CC..EExtended strand (participates in β ladder)trans-129.7130.7-168.6-143.2-96.9000109.6S184 H186 M210 I215 N219S184-H217 WeakPolarHBondContact CB-CD2 3.42Å; S184-H217 WeakPolarHBondContact O-CA 3.4Å; S184-H217 PolarHBondContact OG-CD2 2.94Å; S184-H217 PolarHBondContact OG-NE2 3.43Å; H186-H217 VanDerWaalsContact CB-CE1 3.44Å; H186-H217 WeakPolarHBondContact CB-CE1 3.45Å; H186-H217 AromaticContact CG-CE1 3.9Å; H186-H217 AromaticContact ND1-CE1 3.88Å; M210-H217 HydrophobicContact CB-CB 4.35Å; M210-H217 HydrophobicContact CG-CB 3.97Å; M210-H217 HydrophobicContact SD-CB 3.72Å; I215-H217 PolarHBondContact O-N 3.32Å; H217-N219 PolarHBondContact CE1-OD1 3.45Å; H217-N219 PolarHBondContact ND1-OD1 3.26Å
218V92Very high86.9Confident12 Ų1228.7 Ų28.77%0.07316%0.156CC..EExtended strand (participates in β ladder)trans-122.3114.4172177.50000107T183 S184 H186 I220 L289 V306 A309T183-V218 HydrophobicContact CG2-CB 4.45Å; T183-V218 HydrophobicContact CG2-CG2 3.86Å; S184-V218 PolarHBondContact O-N 3.46Å; H186-V218 PolarHBondContact N-O 3.2Å; V218-I220 HydrophobicContact CG1-CG1 4.26Å; V218-L289 HydrophobicContact CG1-CD1 3.76Å; V218-L289 HydrophobicContact CG1-CG 4.46Å; V218-V306 HydrophobicContact CB-CG2 4.03Å; V218-V306 HydrophobicContact CG1-CG2 4.11Å; V218-V306 HydrophobicContact CG2-CG2 3.92Å; V218-A309 HydrophobicContact CG2-CB 4.23Å
219N91.2Very high85.8Confident2 Ų233.5 Ų33.51%0.01117%0.174CC..EExtended strand (participates in β ladder)trans-90.5139.9178.7-35.7-75.7000109.1H217 Q287 F288 L289H217-N219 PolarHBondContact CE1-OD1 3.45Å; H217-N219 PolarHBondContact ND1-OD1 3.26Å; N219-Q287 WeakPolarHBondContact CB-O 3.42Å; N219-Q287 PolarHBondContact ND2-O 2.8Å; N219-F288 HydrophobicContact CB-CD1 3.53Å; N219-F288 HydrophobicContact CB-CE1 3.6Å; N219-F288 HydrophobicContact CB-CG 4.12Å; N219-F288 HydrophobicContact CB-CZ 4.21Å; N219-F288 WeakPolarHBondContact O-CA 3.5Å; N219-L289 PolarHBondContact O-N 2.98Å
220I92.2Very high84.3Confident0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-133.4128-174.1-60.2-175.3000109.2Y33 V185 H186 L187 I188 V218 S222 L289 L291 V302Y33-I220 HydrophobicContact CE2-CD1 4.47Å; V185-I220 HydrophobicContact CG1-CD1 3.41Å; V185-I220 VanDerWaalsContact CG1-CD1 3.41Å; V185-I220 HydrophobicContact CG1-CG1 4.25Å; H186-I220 PolarHBondContact O-N 3.18Å; L187-I220 HydrophobicContact CG-CB 4.33Å; L187-I220 HydrophobicContact CG-CG2 4.46Å; I188-I220 PolarHBondContact N-O 3.39Å; V218-I220 HydrophobicContact CG1-CG1 4.26Å; I220-S222 PolarHBondContact O-N 3.43Å; I220-L289 CarbonylContact C-O 3.45Å; I220-L289 VanDerWaalsContact CA-O 3.3Å; I220-L289 WeakPolarHBondContact CA-O 3.33Å; I220-L291 HydrophobicContact CG2-CB 3.39Å; I220-L291 HydrophobicContact CG2-CD2 3.88Å; I220-L291 HydrophobicContact CG2-CG 4.28Å; I220-V302 HydrophobicContact CD1-CB 4.32Å; I220-V302 HydrophobicContact CD1-CG1 3.49Å; I220-V302 VanDerWaalsContact CD1-CG1 3.49Å; I220-V302 HydrophobicContact CD1-CG2 3.79Å; I220-V302 HydrophobicContact CG1-CG2 4.43Å
221L90.8Very high82.8Confident1 Ų139.2 Ų39.21%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-87.498.4164.3-70.1171.3000108I188 F240 F288 L289 L290 L291I188-L221 CarbonylContact O-C 3.42Å; I188-L221 WeakPolarHBondContact O-CA 3.27Å; L221-F240 HydrophobicContact CD1-CB 3.97Å; L221-F240 HydrophobicContact CD1-CG 4.46Å; L221-F288 HydrophobicContact CD1-CB 3.95Å; L221-F288 HydrophobicContact CD1-CD1 4.49Å; L221-F288 HydrophobicContact CD1-CG 4.26Å; L221-F288 HydrophobicContact CD2-CD1 4.06Å; L221-F288 HydrophobicContact CD2-CE1 4.39Å; L221-F288 HydrophobicContact CG-CB 3.93Å; L221-F288 HydrophobicContact CG-CD1 3.77Å; L221-F288 HydrophobicContact CG-CG 4.01Å; L221-L289 PolarHBondContact N-O 3.07Å; L221-L290 HydrophobicContact CB-CD2 4Å; L221-L290 HydrophobicContact CD1-CD2 4.06Å; L221-L291 PolarHBondContact O-N 3.24Å
222S91.8Very high81.2Confident0 Ų041.7 Ų41.70%022%0.218CC..EExtended strand (participates in β ladder)trans-78.5162.317769.90000111.5S28 I188 S190 I220 L291S28-S222 WeakPolarHBondContact O-CB 3.4Å; S28-S222 PolarHBondContact O-OG 3.24Å; I188-S222 PolarHBondContact O-N 3.41Å; I188-S222 PolarHBondContact O-OG 2.9Å; S190-S222 VanDerWaalsContact CB-O 3.24Å; S190-S222 WeakPolarHBondContact CB-O 3.43Å; S190-S222 PolarHBondContact N-O 3.17Å; S190-S222 PolarHBondContact OG-O 2.9Å; I220-S222 PolarHBondContact O-N 3.43Å; S222-L291 CarbonylContact C-O 3.6Å
223K90Very high79.8Confident51 Ų5140.9 Ų40.922%0.22222%0.215CC..  trans61.742.4-178.4-46.7-179.3-166167.80112.8G27 D189 S190 D225 L226 L291G27-K223 VanDerWaalsContact O-CE 3.25Å; G27-K223 WeakPolarHBondContact O-CE 3.38Å; G27-K223 PolarHBondContact O-NZ 3.47Å; D189-K223 WeakPolarHBondContact OD2-CE 3.13Å; D189-K223 IonicContact OD2-NZ 2.7Å; D189-K223 PolarHBondContact OD2-NZ 3.45Å; S190-K223 WeakPolarHBondContact CB-O 3.16Å; S190-K223 PolarHBondContact OG-O 3.25Å; K223-D225 WeakPolarHBondContact CA-OD1 3.43Å; K223-D225 PolarHBondContact O-N 2.92Å; K223-L226 HydrophobicContact CB-CB 4.38Å; K223-L226 HydrophobicContact CB-CD1 3.99Å; K223-L226 HydrophobicContact CB-CG 4.07Å; K223-L226 HydrophobicContact CD-CD1 3.78Å; K223-L226 HydrophobicContact CG-CD1 4.39Å; K223-L226 PolarHBondContact O-N 3.35Å; K223-L291 PolarHBondContact N-O 3.33Å; K223-L291 VanDerWaalsContact N-O 3.09Å
224A83.8Confident78.2Confident2 Ų244.2 Ų44.22%0.01723%0.233CC..G310 helixtrans-59.5-24.5177.600000112.7L226 I227 L290 L291 D292A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 2.94Å; A224-I227 HydrophobicContact CB-CD1 4.25Å; A224-I227 WeakPolarHBondContact O-CB 3.36Å; A224-I227 WeakPolarHBondContact O-CG1 3.38Å; A224-I227 PolarHBondContact O-N 3.32Å; A224-L290 HydrophobicContact CB-CB 4.43Å; A224-L291 PolarHBondContact N-O 3.05Å; A224-D292 HydrophobicContact CB-CB 4.36Å
225D82.8Confident76.8Confident60 Ų6042.1 Ų42.132%0.32122%0.217SC..G310 helixtrans-63.6-23.4171.859.2-61.9000114.8K223 Y346K223-D225 WeakPolarHBondContact CA-OD1 3.43Å; K223-D225 PolarHBondContact O-N 2.92Å; D225-Y346 HydrophobicContact CB-CE1 4.46Å
226L82.5Confident75.4Confident35 Ų3545.7 Ų45.718%0.18324%0.237CC..G310 helixtrans-90.5-3.7179.6-57.3-173.6000113.6K223 A224 E228 Q229 Y230K223-L226 HydrophobicContact CB-CB 4.38Å; K223-L226 HydrophobicContact CB-CD1 3.99Å; K223-L226 HydrophobicContact CB-CG 4.07Å; K223-L226 HydrophobicContact CD-CD1 3.78Å; K223-L226 HydrophobicContact CG-CD1 4.39Å; K223-L226 PolarHBondContact O-N 3.35Å; A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 2.94Å; L226-E228 VanDerWaalsContact C-N 3.29Å; L226-E228 PolarHBondContact O-N 3.47Å; L226-Q229 VanDerWaalsContact CD2-NE2 3.34Å; L226-Q229 WeakPolarHBondContact O-CB 3.49Å; L226-Q229 PolarHBondContact O-N 3.07Å; L226-Y230 HydrophobicContact CB-CE2 3.68Å; L226-Y230 WeakPolarHBondContact CD1-OH 3.33Å; L226-Y230 VanDerWaalsContact O-CD2 3.28Å; L226-Y230 WeakPolarHBondContact O-CD2 3.34Å; L226-Y230 WeakPolarHBondContact O-CE2 3.42Å
227I74.2Confident73.9Confident13 Ų1343.4 Ų43.47%0.06722%0.222CC..G310 helixtrans-59.1-40-177.5-67.7175000111.4A224 Q229 Y230 L233 L237 L290A224-I227 HydrophobicContact CB-CD1 4.25Å; A224-I227 WeakPolarHBondContact O-CB 3.36Å; A224-I227 WeakPolarHBondContact O-CG1 3.38Å; A224-I227 PolarHBondContact O-N 3.32Å; I227-Q229 PolarHBondContact O-N 2.68Å; I227-Y230 PolarHBondContact O-N 2.97Å; I227-L233 HydrophobicContact CG2-CD1 3.43Å; I227-L233 VanDerWaalsContact CG2-CD1 3.43Å; I227-L233 HydrophobicContact CG2-CG 4.1Å; I227-L237 HydrophobicContact CD1-CD2 4Å; I227-L290 HydrophobicContact CD1-CD2 4.24Å
228E65.7Low72.3Confident73 Ų7345 Ų4534%0.34123%0.231SC..G310 helixtrans-58.7-20.3176.2-59.9-122-84.400113.8L226 Y346 K349L226-E228 VanDerWaalsContact C-N 3.29Å; L226-E228 PolarHBondContact O-N 3.47Å; E228-Y346 WeakPolarHBondContact CG-O 3.19Å; E228-K349 WeakPolarHBondContact OE1-CD 3.35Å; E228-K349 WeakPolarHBondContact OE1-CE 3.38Å; E228-K349 WeakPolarHBondContact OE1-CG 3.02Å; E228-K349 IonicContact OE1-NZ 2.61Å; E228-K349 PolarHBondContact OE1-NZ 2.93Å; E228-K349 IonicContact OE2-NZ 2.67Å; E228-K349 PolarHBondContact OE2-NZ 3.29Å
229Q64Low70.7Confident138 Ų13845.5 Ų45.565%0.64523%0.232SC*.G310 helixtrans-96.9-12.4-169.2-54.5-179.528.200113.3L226 I227L226-Q229 VanDerWaalsContact CD2-NE2 3.34Å; L226-Q229 WeakPolarHBondContact O-CB 3.49Å; L226-Q229 PolarHBondContact O-N 3.07Å; I227-Q229 PolarHBondContact O-N 2.68Å
230Y59.1Low69.2Low95 Ų9545.5 Ų45.537%0.37323%0.232SC..SBendtrans-97.6-5.4-176.2-60.7-50.1000114.5H191 L226 I227H191-Y230 HydrophobicContact CB-CD2 4.02Å; H191-Y230 HydrophobicContact CB-CE2 3.66Å; H191-Y230 AromaticContact CE1-CD1 3.91Å; H191-Y230 AromaticContact ND1-CD1 3.23Å; H191-Y230 WeakPolarHBondContact ND1-CD1 3.43Å; H191-Y230 AromaticContact ND1-CD2 3.64Å; H191-Y230 AromaticContact ND1-CE1 3.44Å; H191-Y230 WeakPolarHBondContact ND1-CE1 3.49Å; H191-Y230 AromaticContact ND1-CE2 3.82Å; H191-Y230 AromaticContact ND1-CG 3.36Å; H191-Y230 AromaticContact ND1-CZ 3.74Å; L226-Y230 HydrophobicContact CB-CE2 3.68Å; L226-Y230 WeakPolarHBondContact CD1-OH 3.33Å; L226-Y230 VanDerWaalsContact O-CD2 3.28Å; L226-Y230 WeakPolarHBondContact O-CD2 3.34Å; L226-Y230 WeakPolarHBondContact O-CE2 3.42Å; I227-Y230 PolarHBondContact O-N 2.97Å
231G55.1Low67.6Low47 Ų4745.9 Ų45.949%0.48523%0.234SC..  trans122.4-176177.600000112.7L233G231-L233 PolarHBondContact O-N 3.41Å
232E54.6Low65.9Low154 Ų15451.2 Ų51.272%0.7226%0.259SS*.  trans-64.3127164.5-61.6-166118.300108.6K350E232-K350 WeakPolarHBondContact OE1-CE 3.44Å; E232-K350 IonicContact OE1-NZ 2.79Å; E232-K350 PolarHBondContact OE1-NZ 2.78Å
233L57.3Low63.9Low34 Ų3455.4 Ų55.418%0.17829%0.285CS..  trans-71134169.9-78.2172.4000109.5C193 I227 G231 F235 L237 F240 M347C193-L233 HydrophobicContact CB-CD2 3.97Å; C193-L233 VanDerWaalsContact O-CD2 3.3Å; C193-L233 WeakPolarHBondContact O-CD2 3.37Å; I227-L233 HydrophobicContact CG2-CD1 3.43Å; I227-L233 VanDerWaalsContact CG2-CD1 3.43Å; I227-L233 HydrophobicContact CG2-CG 4.1Å; G231-L233 PolarHBondContact O-N 3.41Å; L233-F235 WeakPolarHBondContact CB-O 3.5Å; L233-F235 PolarHBondContact O-N 3.11Å; L233-L237 HydrophobicContact CD1-CD2 3.95Å; L233-F240 HydrophobicContact CD1-CE2 4.37Å; L233-M347 HydrophobicContact CB-CE 4.12Å; L233-M347 HydrophobicContact CD1-CE 3.69Å; L233-M347 HydrophobicContact CG-CE 4.41Å
234D55.3Low62.3Low74 Ų7454.6 Ų54.640%0.39628%0.283SS..SBendtrans-57.1-13.3169.7-82.8-15.7000113.1
235F59.4Low61.1Low11 Ų1158.5 Ų58.55%0.04830%0.303CS..SBendtrans-140.4141.5-172.6-44.6-86.3000111.6A196 L233 F239 F240 Y248 L249 C252A196-F235 HydrophobicContact CB-CE2 4.47Å; A196-F235 HydrophobicContact CB-CZ 4.29Å; L233-F235 WeakPolarHBondContact CB-O 3.5Å; L233-F235 PolarHBondContact O-N 3.11Å; F235-F239 HydrophobicContact CB-CB 3.91Å; F235-F239 HydrophobicContact CB-CD1 3.86Å; F235-F239 HydrophobicContact CB-CG 3.97Å; F235-F239 AromaticContact CD1-CD1 3.8Å; F235-F239 HydrophobicContact CD1-CD1 3.8Å; F235-F239 HydrophobicContact CD1-CD2 4.37Å; F235-F239 AromaticContact CD1-CE1 3.86Å; F235-F239 HydrophobicContact CD1-CE1 3.86Å; F235-F239 HydrophobicContact CD1-CE2 4.4Å; F235-F239 HydrophobicContact CD1-CG 4.08Å; F235-F239 HydrophobicContact CD1-CZ 4.17Å; F235-F239 HydrophobicContact CE1-CE1 4.27Å; F235-F239 HydrophobicContact CE1-CZ 4.41Å; F235-F239 AromaticContact CG-CD1 3.81Å; F235-F239 HydrophobicContact CG-CD1 3.81Å; F235-F239 HydrophobicContact CG-CE1 4.18Å; F235-F239 HydrophobicContact CG-CG 4.25Å; F235-F240 HydrophobicContact CB-CE2 3.91Å; F235-F240 HydrophobicContact CB-CZ 3.92Å; F235-F240 HydrophobicContact CD2-CE1 4.4Å; F235-F240 HydrophobicContact CD2-CE2 4.47Å; F235-F240 AromaticContact CD2-CZ 3.71Å; F235-F240 HydrophobicContact CD2-CZ 3.71Å; F235-F240 HydrophobicContact CG-CZ 4.11Å; F235-Y248 AromaticContact CD1-CD1 3.95Å; F235-Y248 HydrophobicContact CD1-CD1 3.95Å; F235-Y248 HydrophobicContact CD1-CE1 4.32Å; F235-Y248 AromaticContact CE1-CD1 3.72Å; F235-Y248 HydrophobicContact CE1-CD1 3.72Å; F235-Y248 HydrophobicContact CE1-CE1 4.17Å; F235-L249 HydrophobicContact CE1-CD2 3.74Å; F235-L249 HydrophobicContact CE1-CG 4.19Å; F235-L249 HydrophobicContact CE2-CD2 3.72Å; F235-L249 HydrophobicContact CZ-CD2 3.26Å; F235-L249 HydrophobicContact CZ-CG 4.17Å; F235-C252 HydrophobicContact CZ-CB 4.08Å
236N60.8Low60.2Low84 Ų8455.7 Ų55.745%0.44929%0.288SS..  trans-58.5156.5165.3-83.14.3000111D238 F239 Q343N236-D238 HydrophobicContact CB-CB 4.39Å; N236-D238 WeakPolarHBondContact CB-OD2 3.37Å; N236-D238 PolarHBondContact ND2-OD2 3.23Å; N236-D238 PolarHBondContact O-N 2.83Å; N236-F239 VanDerWaalsContact O-CB 3.22Å; N236-F239 WeakPolarHBondContact O-CB 3.49Å; N236-F239 PolarHBondContact O-N 2.91Å; N236-F239 VanDerWaalsContact O-N 3.1Å; N236-Q343 VanDerWaalsContact CG-NE2 3.35Å; N236-Q343 PolarHBondContact OD1-NE2 2.92Å
237L60.3Low59.1Low2 Ų257.8 Ų57.81%0.0130%0.297CS..Hα-helixtrans-63.1-29.7177.3-66.7174.7000112.8I227 L233 F239 F240 T241 L290 I339 I342 M347I227-L237 HydrophobicContact CD1-CD2 4Å; L233-L237 HydrophobicContact CD1-CD2 3.95Å; L237-F239 PolarHBondContact O-N 2.81Å; L237-F239 VanDerWaalsContact O-N 3.15Å; L237-F240 PolarHBondContact O-N 3.03Å; L237-F240 VanDerWaalsContact O-N 3.1Å; L237-T241 PolarHBondContact O-N 3.05Å; L237-T241 PolarHBondContact O-OG1 3.39Å; L237-L290 HydrophobicContact CB-CD1 4.18Å; L237-L290 HydrophobicContact CD1-CD1 4.19Å; L237-L290 HydrophobicContact CD2-CD1 4.28Å; L237-L290 HydrophobicContact CD2-CD2 4.41Å; L237-L290 HydrophobicContact CG-CD1 4.45Å; L237-I339 HydrophobicContact CB-CG2 4.1Å; L237-I342 HydrophobicContact CD1-CG2 3.52Å; L237-M347 HydrophobicContact CD1-CG 4.18Å; L237-M347 HydrophobicContact CD1-SD 4.01Å; L237-M347 HydrophobicContact CD2-CE 4.32Å; L237-M347 HydrophobicContact CG-CE 3.88Å; L237-M347 HydrophobicContact CG-SD 3.81Å
238D56.5Low58.6Low56 Ų5662.7 Ų62.730%0.29932%0.315SS..Hα-helixtrans-49.3-35.4171.8-43.4-44.5000113.3N236 F240 T241 E242 V243 I339N236-D238 HydrophobicContact CB-CB 4.39Å; N236-D238 WeakPolarHBondContact CB-OD2 3.37Å; N236-D238 PolarHBondContact ND2-OD2 3.23Å; N236-D238 PolarHBondContact O-N 2.83Å; D238-F240 VanDerWaalsContact C-N 3.34Å; D238-F240 PolarHBondContact O-N 3.45Å; D238-T241 WeakPolarHBondContact CA-OG1 3.49Å; D238-T241 PolarHBondContact O-N 3.3Å; D238-T241 PolarHBondContact O-OG1 3.45Å; D238-E242 PolarHBondContact O-N 3.03Å; D238-V243 PolarHBondContact O-N 2.97Å; D238-I339 WeakPolarHBondContact OD1-CG2 3.41Å
239F57Low58.6Low23 Ų2359.2 Ų59.210%0.10130%0.299CS..Hα-helixtrans-66.2-36.2-177.6-175-100.1000112.4F235 N236 L237 V243 D245 L246 L249F235-F239 HydrophobicContact CB-CB 3.91Å; F235-F239 HydrophobicContact CB-CD1 3.86Å; F235-F239 HydrophobicContact CB-CG 3.97Å; F235-F239 AromaticContact CD1-CD1 3.8Å; F235-F239 HydrophobicContact CD1-CD1 3.8Å; F235-F239 HydrophobicContact CD1-CD2 4.37Å; F235-F239 AromaticContact CD1-CE1 3.86Å; F235-F239 HydrophobicContact CD1-CE1 3.86Å; F235-F239 HydrophobicContact CD1-CE2 4.4Å; F235-F239 HydrophobicContact CD1-CG 4.08Å; F235-F239 HydrophobicContact CD1-CZ 4.17Å; F235-F239 HydrophobicContact CE1-CE1 4.27Å; F235-F239 HydrophobicContact CE1-CZ 4.41Å; F235-F239 AromaticContact CG-CD1 3.81Å; F235-F239 HydrophobicContact CG-CD1 3.81Å; F235-F239 HydrophobicContact CG-CE1 4.18Å; F235-F239 HydrophobicContact CG-CG 4.25Å; N236-F239 VanDerWaalsContact O-CB 3.22Å; N236-F239 WeakPolarHBondContact O-CB 3.49Å; N236-F239 PolarHBondContact O-N 2.91Å; N236-F239 VanDerWaalsContact O-N 3.1Å; L237-F239 PolarHBondContact O-N 2.81Å; L237-F239 VanDerWaalsContact O-N 3.15Å; F239-V243 WeakPolarHBondContact CD2-O 3.43Å; F239-V243 CarbonylContact O-C 3.55Å; F239-D245 HydrophobicContact CE2-CB 4.39Å; F239-D245 VanDerWaalsContact CE2-O 3.28Å; F239-D245 WeakPolarHBondContact CE2-O 3.07Å; F239-L246 HydrophobicContact CZ-CD2 4.46Å; F239-L249 HydrophobicContact CE1-CD1 3.94Å; F239-L249 HydrophobicContact CE1-CD2 4.17Å; F239-L249 HydrophobicContact CE1-CG 3.91Å; F239-L249 HydrophobicContact CZ-CD1 3.94Å; F239-L249 HydrophobicContact CZ-CD2 4.49Å; F239-L249 HydrophobicContact CZ-CG 3.79Å
240F60.3Low58.5Low3 Ų353 Ų531%0.01327%0.27CS..Hα-helixtrans-85.8-20.5-179-58.3-65.7000112.7C193 F199 L221 L233 F235 L237 D238C193-F240 HydrophobicContact CB-CD2 4.45Å; C193-F240 HydrophobicContact CB-CE1 3.98Å; C193-F240 HydrophobicContact CB-CE2 3.85Å; C193-F240 HydrophobicContact CB-CZ 3.58Å; F199-F240 HydrophobicContact CD1-CD1 4.29Å; F199-F240 HydrophobicContact CD1-CE1 4Å; F199-F240 AromaticContact CD2-CD1 3.86Å; F199-F240 HydrophobicContact CD2-CD1 3.86Å; F199-F240 AromaticContact CD2-CE1 3.78Å; F199-F240 HydrophobicContact CD2-CE1 3.78Å; F199-F240 AromaticContact CE1-CD1 3.96Å; F199-F240 HydrophobicContact CE1-CD1 3.96Å; F199-F240 HydrophobicContact CE1-CE1 4.14Å; F199-F240 AromaticContact CE2-CD1 3.52Å; F199-F240 HydrophobicContact CE2-CD1 3.52Å; F199-F240 AromaticContact CE2-CE1 3.94Å; F199-F240 HydrophobicContact CE2-CE1 3.94Å; F199-F240 HydrophobicContact CG-CD1 4.25Å; F199-F240 AromaticContact CG-CE1 3.83Å; F199-F240 HydrophobicContact CG-CE1 3.83Å; F199-F240 AromaticContact CZ-CD1 3.58Å; F199-F240 HydrophobicContact CZ-CD1 3.58Å; F199-F240 HydrophobicContact CZ-CE1 4.13Å; L221-F240 HydrophobicContact CD1-CB 3.97Å; L221-F240 HydrophobicContact CD1-CG 4.46Å; L233-F240 HydrophobicContact CD1-CE2 4.37Å; F235-F240 HydrophobicContact CB-CE2 3.91Å; F235-F240 HydrophobicContact CB-CZ 3.92Å; F235-F240 HydrophobicContact CD2-CE1 4.4Å; F235-F240 HydrophobicContact CD2-CE2 4.47Å; F235-F240 AromaticContact CD2-CZ 3.71Å; F235-F240 HydrophobicContact CD2-CZ 3.71Å; F235-F240 HydrophobicContact CG-CZ 4.11Å; L237-F240 PolarHBondContact O-N 3.03Å; L237-F240 VanDerWaalsContact O-N 3.1Å; D238-F240 VanDerWaalsContact C-N 3.34Å; D238-F240 PolarHBondContact O-N 3.45Å
241T59.3Low58.8Low8 Ų852.2 Ų52.25%0.04927%0.273CS..Hα-helixtrans-108.3-30.6-170.754.80000114.5L237 D238 Q287 L290 I339L237-T241 PolarHBondContact O-N 3.05Å; L237-T241 PolarHBondContact O-OG1 3.39Å; D238-T241 WeakPolarHBondContact CA-OG1 3.49Å; D238-T241 PolarHBondContact O-N 3.3Å; D238-T241 PolarHBondContact O-OG1 3.45Å; T241-Q287 VanDerWaalsContact O-CG 3.26Å; T241-Q287 WeakPolarHBondContact O-CG 3.47Å; T241-Q287 PolarHBondContact O-NE2 2.93Å; T241-L290 HydrophobicContact CG2-CD1 3.81Å; T241-L290 HydrophobicContact CG2-CG 3.89Å; T241-I339 WeakPolarHBondContact OG1-CD1 3.44Å
242E54.8Low59.2Low113 Ų11350.4 Ų50.453%0.52825%0.252SS..THydrogen-bonded Turntrans-124.2-49-178.3-66.6-166.2161.400113.8D238 I339D238-E242 PolarHBondContact O-N 3.03Å; E242-I339 VanDerWaalsContact CD-CD1 3.46Å; E242-I339 HydrophobicContact CG-CD1 3.51Å; E242-I339 WeakPolarHBondContact OE1-CD1 3.49Å
243V50.2Low59.7Low88 Ų8844.7 Ų44.753%0.53323%0.226SC..  trans-123.691.2-167.9-169.80000111.4D238 F239 D245D238-V243 PolarHBondContact O-N 2.97Å; F239-V243 WeakPolarHBondContact CD2-O 3.43Å; F239-V243 CarbonylContact O-C 3.55Å; V243-D245 HydrophobicContact CG1-CB 4.15Å; V243-D245 PolarHBondContact O-N 3.08Å
244L56.2Low59.9Low34 Ų3445.3 Ų45.318%0.17823%0.228CC..  trans-7164166.2-65.2178.7000111.1F199 L246 I280 Q281F199-L244 HydrophobicContact CE1-CD2 4.02Å; F199-L244 HydrophobicContact CZ-CD2 4Å; L244-L246 HydrophobicContact CB-CD2 3.89Å; L244-L246 HydrophobicContact CB-CG 4.14Å; L244-L246 HydrophobicContact CD2-CD2 3.99Å; L244-L246 HydrophobicContact CG-CD2 4.42Å; L244-L246 PolarHBondContact O-N 3.13Å; L244-I280 HydrophobicContact CD1-CG2 4.5Å; L244-Q281 PolarHBondContact O-NE2 3.3Å; L244-Q281 VanDerWaalsContact O-NE2 3.11Å
245D58.2Low60.1Low83 Ų8347.1 Ų47.144%0.44423%0.233SC..  trans-7866.9165.6-169.23.5000110.1F239 V243 Q247 Y248F239-D245 HydrophobicContact CE2-CB 4.39Å; F239-D245 VanDerWaalsContact CE2-O 3.28Å; F239-D245 WeakPolarHBondContact CE2-O 3.07Å; V243-D245 HydrophobicContact CG1-CB 4.15Å; V243-D245 PolarHBondContact O-N 3.08Å; D245-Q247 PolarHBondContact O-N 2.95Å; D245-Q247 VanDerWaalsContact OD1-CB 3.28Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.14Å; D245-Q247 PolarHBondContact OD1-N 3.18Å; D245-Y248 WeakPolarHBondContact O-CB 3.22Å; D245-Y248 PolarHBondContact O-N 3.4Å
246L62.9Low59.7Low1 Ų151.1 Ų51.11%0.00526%0.258CS..THydrogen-bonded Turntrans-59.7-12.7-178.1-47.7173.4000112.8F199 F239 L244 Y248 L249 I250 I277 I280 Q281F199-L246 HydrophobicContact CE1-CD2 4.48Å; F239-L246 HydrophobicContact CZ-CD2 4.46Å; L244-L246 HydrophobicContact CB-CD2 3.89Å; L244-L246 HydrophobicContact CB-CG 4.14Å; L244-L246 HydrophobicContact CD2-CD2 3.99Å; L244-L246 HydrophobicContact CG-CD2 4.42Å; L244-L246 PolarHBondContact O-N 3.13Å; L246-Y248 PolarHBondContact O-N 3.28Å; L246-L249 HydrophobicContact CB-CD1 3.96Å; L246-L249 HydrophobicContact CD2-CD1 3.37Å; L246-L249 HydrophobicContact CG-CD1 4.23Å; L246-L249 WeakPolarHBondContact O-CA 3.32Å; L246-L249 VanDerWaalsContact O-CB 3.29Å; L246-L249 WeakPolarHBondContact O-CB 3.2Å; L246-L249 PolarHBondContact O-N 3.47Å; L246-I250 PolarHBondContact O-N 2.97Å; L246-I277 HydrophobicContact CB-CB 4.17Å; L246-I277 HydrophobicContact CB-CD1 4.04Å; L246-I277 HydrophobicContact CB-CG1 3.77Å; L246-I277 HydrophobicContact CB-CG2 3.56Å; L246-I277 HydrophobicContact CD1-CB 4.31Å; L246-I277 HydrophobicContact CD1-CG1 4.03Å; L246-I277 HydrophobicContact CD1-CG2 4.21Å; L246-I280 HydrophobicContact CD1-CB 3.5Å; L246-I280 HydrophobicContact CD1-CD1 4.23Å; L246-I280 HydrophobicContact CD1-CG1 4.48Å; L246-I280 HydrophobicContact CD1-CG2 3.41Å; L246-I280 VanDerWaalsContact CD1-CG2 3.41Å; L246-Q281 HydrophobicContact CD1-CG 3.98Å; L246-Q281 HydrophobicContact CG-CG 4.28Å
247Q61.1Low59.2Low80 Ų8047.9 Ų47.937%0.37424%0.241SC..Hα-helixtrans-58.3-31.8171.2-156.264.724.200111D245 I250 D251D245-Q247 PolarHBondContact O-N 2.95Å; D245-Q247 VanDerWaalsContact OD1-CB 3.28Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.14Å; D245-Q247 PolarHBondContact OD1-N 3.18Å; Q247-I250 WeakPolarHBondContact O-CB 3.38Å; Q247-I250 PolarHBondContact O-N 3.24Å; Q247-D251 PolarHBondContact O-N 3.32Å
248Y62.8Low58.8Low115 Ų11555.3 Ų55.345%0.45128%0.281SS..Hα-helixtrans-71-28.5172.6-163.7-109.3000113.2F235 D245 L246 I250 D251 C252F235-Y248 AromaticContact CD1-CD1 3.95Å; F235-Y248 HydrophobicContact CD1-CD1 3.95Å; F235-Y248 HydrophobicContact CD1-CE1 4.32Å; F235-Y248 AromaticContact CE1-CD1 3.72Å; F235-Y248 HydrophobicContact CE1-CD1 3.72Å; F235-Y248 HydrophobicContact CE1-CE1 4.17Å; D245-Y248 WeakPolarHBondContact O-CB 3.22Å; D245-Y248 PolarHBondContact O-N 3.4Å; L246-Y248 PolarHBondContact O-N 3.28Å; Y248-I250 VanDerWaalsContact C-N 3.35Å; Y248-D251 WeakPolarHBondContact O-CB 3.41Å; Y248-D251 PolarHBondContact O-N 3.19Å; Y248-C252 PolarHBondContact O-N 3.35Å; Y248-C252 PolarHBondContact O-SG 2.85Å
249L64.9Low58.7Low0 Ų057.2 Ų57.20%029%0.291CS..Hα-helixtrans-65.7-35.6170.7-70.2159.9000111.9A196 F199 I200 F235 F239 L246 D251 C252 L253 I277A196-L249 HydrophobicContact CB-CD2 3.44Å; A196-L249 VanDerWaalsContact CB-CD2 3.44Å; F199-L249 HydrophobicContact CD1-CD1 4.15Å; I200-L249 HydrophobicContact CD1-CB 4.3Å; I200-L249 HydrophobicContact CD1-CD1 4.25Å; I200-L249 HydrophobicContact CG1-CD1 4.09Å; F235-L249 HydrophobicContact CE1-CD2 3.74Å; F235-L249 HydrophobicContact CE1-CG 4.19Å; F235-L249 HydrophobicContact CE2-CD2 3.72Å; F235-L249 HydrophobicContact CZ-CD2 3.26Å; F235-L249 HydrophobicContact CZ-CG 4.17Å; F239-L249 HydrophobicContact CE1-CD1 3.94Å; F239-L249 HydrophobicContact CE1-CD2 4.17Å; F239-L249 HydrophobicContact CE1-CG 3.91Å; F239-L249 HydrophobicContact CZ-CD1 3.94Å; F239-L249 HydrophobicContact CZ-CD2 4.49Å; F239-L249 HydrophobicContact CZ-CG 3.79Å; L246-L249 HydrophobicContact CB-CD1 3.96Å; L246-L249 HydrophobicContact CD2-CD1 3.37Å; L246-L249 HydrophobicContact CG-CD1 4.23Å; L246-L249 WeakPolarHBondContact O-CA 3.32Å; L246-L249 VanDerWaalsContact O-CB 3.29Å; L246-L249 WeakPolarHBondContact O-CB 3.2Å; L246-L249 PolarHBondContact O-N 3.47Å; L249-D251 VanDerWaalsContact C-N 3.29Å; L249-D251 PolarHBondContact O-N 2.87Å; L249-C252 PolarHBondContact O-N 3.45Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 VanDerWaalsContact O-CG 3.24Å; L249-L253 WeakPolarHBondContact O-CG 3.39Å; L249-L253 PolarHBondContact O-N 2.9Å; L249-I277 HydrophobicContact CB-CD1 4.46Å
250I63.3Low58.7Low8 Ų861.1 Ų61.14%0.04132%0.317CS..Hα-helixtrans-60.9-45.2174.6-58.6-179.2000109.6L246 Q247 Y248 L253 H254 Q274 I277L246-I250 PolarHBondContact O-N 2.97Å; Q247-I250 WeakPolarHBondContact O-CB 3.38Å; Q247-I250 PolarHBondContact O-N 3.24Å; Y248-I250 VanDerWaalsContact C-N 3.35Å; I250-L253 PolarHBondContact O-N 2.9Å; I250-H254 PolarHBondContact O-CD2 2.65Å; I250-H254 PolarHBondContact O-N 3.36Å; I250-Q274 HydrophobicContact CD1-CB 4.28Å; I250-Q274 VanDerWaalsContact CD1-OE1 3.24Å; I250-I277 HydrophobicContact CD1-CB 4.39Å; I250-I277 HydrophobicContact CD1-CD1 3.87Å; I250-I277 HydrophobicContact CD1-CG2 4.15Å; I250-I277 HydrophobicContact CG1-CD1 3.35Å
251D65Low58.6Low79 Ų7967.4 Ų67.442%0.42235%0.351SS..Hα-helixtrans-60.2-45.4176.5-11541.9000111.7Q247 Y248 L249 H254 K255Q247-D251 PolarHBondContact O-N 3.32Å; Y248-D251 WeakPolarHBondContact O-CB 3.41Å; Y248-D251 PolarHBondContact O-N 3.19Å; L249-D251 VanDerWaalsContact C-N 3.29Å; L249-D251 PolarHBondContact O-N 2.87Å; D251-H254 PolarHBondContact O-N 3.37Å; D251-K255 WeakPolarHBondContact O-CB 3.12Å; D251-K255 WeakPolarHBondContact O-CD 3.46Å; D251-K255 WeakPolarHBondContact O-CG 3.24Å; D251-K255 PolarHBondContact O-N 2.92Å; D251-K255 WeakPolarHBondContact OD2-CE 3.3Å; D251-K255 IonicContact OD2-NZ 3.19Å; D251-K255 PolarHBondContact OD2-NZ 2.94Å
252C63.8Low58.5Low9 Ų971.9 Ų71.96%0.06137%0.371CS..Hα-helixtrans-66.4-43.4175.3-66.50000112.7F235 Y248 L249 H254 K255 T256F235-C252 HydrophobicContact CZ-CB 4.08Å; Y248-C252 PolarHBondContact O-N 3.35Å; Y248-C252 PolarHBondContact O-SG 2.85Å; L249-C252 PolarHBondContact O-N 3.45Å; C252-H254 PolarHBondContact O-N 3.33Å; C252-H254 VanDerWaalsContact O-N 3.16Å; C252-K255 PolarHBondContact O-N 3.33Å; C252-T256 PolarHBondContact O-N 3.19Å; C252-T256 PolarHBondContact O-OG1 3.44Å
253L63.8Low58.6Low33 Ų3369.7 Ų69.717%0.17336%0.363CS..Hα-helixtrans-57.4-30.2173.8-73.8169.8000112.5A196 I200 L249 I250 T257 N266A196-L253 HydrophobicContact CB-CD2 3.97Å; A196-L253 HydrophobicContact CB-CG 4.02Å; I200-L253 HydrophobicContact CD1-CD1 3.89Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 VanDerWaalsContact O-CG 3.24Å; L249-L253 WeakPolarHBondContact O-CG 3.39Å; L249-L253 PolarHBondContact O-N 2.9Å; I250-L253 PolarHBondContact O-N 2.9Å; L253-T257 PolarHBondContact O-OG1 2.85Å; L253-T257 VanDerWaalsContact O-OG1 3.09Å; L253-N266 PolarHBondContact O-ND2 3.04Å
254H62.8Low59Low47 Ų4771.3 Ų71.322%0.21837%0.368CS..Hα-helixtrans-81.6-30.2171.8-74.2-55.3000113.9I250 D251 C252 T270I250-H254 PolarHBondContact O-CD2 2.65Å; I250-H254 PolarHBondContact O-N 3.36Å; D251-H254 PolarHBondContact O-N 3.37Å; C252-H254 PolarHBondContact O-N 3.33Å; C252-H254 VanDerWaalsContact O-N 3.16Å; H254-T270 PolarHBondContact CE1-OG1 3.07Å; H254-T270 PolarHBondContact NE2-OG1 3.42Å; H254-T270 VanDerWaalsContact NE2-OG1 3.1Å
255K58.3Low59.3Low113 Ų11375.4 Ų75.449%0.49138%0.384SS..Hα-helixtrans-84-42.2-177.6-70.2161.3-164.1169.50114.9D251 C252 T257D251-K255 WeakPolarHBondContact O-CB 3.12Å; D251-K255 WeakPolarHBondContact O-CD 3.46Å; D251-K255 WeakPolarHBondContact O-CG 3.24Å; D251-K255 PolarHBondContact O-N 2.92Å; D251-K255 WeakPolarHBondContact OD2-CE 3.3Å; D251-K255 IonicContact OD2-NZ 3.19Å; D251-K255 PolarHBondContact OD2-NZ 2.94Å; C252-K255 PolarHBondContact O-N 3.33Å; K255-T257 PolarHBondContact O-N 2.92Å
256T52.5Low59.5Low94 Ų9472.6 Ų72.658%0.57737%0.37SS*.SBendtrans-69.36.3-173.3-46.20000113.4C252C252-T256 PolarHBondContact O-N 3.19Å; C252-T256 PolarHBondContact O-OG1 3.44Å
257T50.1Low59.7Low16 Ų1676.6 Ų76.610%0.09840%0.396CS..  trans-109.678.7-166.2-53.30000111.9L253 K255 N259 Q262 L263 N266L253-T257 PolarHBondContact O-OG1 2.85Å; L253-T257 VanDerWaalsContact O-OG1 3.09Å; K255-T257 PolarHBondContact O-N 2.92Å; T257-N259 PolarHBondContact O-N 3.11Å; T257-Q262 VanDerWaalsContact CG2-C 3.5Å; T257-Q262 HydrophobicContact CG2-CB 3.24Å; T257-L263 HydrophobicContact CG2-CD2 4.35Å; T257-L263 HydrophobicContact CG2-CG 3.94Å; T257-L263 WeakPolarHBondContact O-CD1 3.41Å; T257-L263 WeakPolarHBondContact O-CG 3.26Å; T257-N266 PolarHBondContact OG1-ND2 2.88Å
258N50.5Low60.3Low159 Ų15979.8 Ų79.885%0.8541%0.409SS*.  trans-69.3-12.9175.1-72.7-33000114
259N54.9Low61Low96 Ų9677.9 Ų77.951%0.51340%0.402SS..SBendtrans-89.7122.9179.6-69.7-30.2000111.8T257 D261 Q262 L263T257-N259 PolarHBondContact O-N 3.11Å; N259-D261 VanDerWaalsContact C-N 3.28Å; N259-D261 PolarHBondContact O-N 3.09Å; N259-Q262 HydrophobicContact CB-CB 4.32Å; N259-Q262 HydrophobicContact CB-CG 4.44Å; N259-Q262 PolarHBondContact ND2-OE1 3.29Å; N259-Q262 PolarHBondContact O-N 3.37Å; N259-Q262 VanDerWaalsContact O-N 3.09Å; N259-L263 PolarHBondContact O-N 2.82Å
260T57.4Low61.6Low105 Ų10580.1 Ų80.164%0.64442%0.416SS*.Hα-helixtrans-57.9-37.1-176.6-35.10000113.3L263 L264T260-L263 PolarHBondContact O-N 2.8Å; T260-L264 PolarHBondContact O-N 2.78Å; T260-L264 VanDerWaalsContact O-N 3.07Å
261D57.1Low62.5Low135 Ų13590.4 Ų90.472%0.72245%0.454SS*.Hα-helixtrans-68.3-35.5178.9-64.8-34000112.9N259 L264 F265N259-D261 VanDerWaalsContact C-N 3.28Å; N259-D261 PolarHBondContact O-N 3.09Å; D261-L264 PolarHBondContact O-N 2.84Å; D261-F265 PolarHBondContact O-N 3.36Å
262Q57.2Low63.3Low102 Ų10291.2 Ų91.248%0.47746%0.457SS..Hα-helixtrans-77.7-29.8176.3-72.2175.4-85.100111.5T257 N259 F265 N266T257-Q262 VanDerWaalsContact CG2-C 3.5Å; T257-Q262 HydrophobicContact CG2-CB 3.24Å; N259-Q262 HydrophobicContact CB-CB 4.32Å; N259-Q262 HydrophobicContact CB-CG 4.44Å; N259-Q262 PolarHBondContact ND2-OE1 3.29Å; N259-Q262 PolarHBondContact O-N 3.37Å; N259-Q262 VanDerWaalsContact O-N 3.09Å; Q262-F265 WeakPolarHBondContact O-CB 3.45Å; Q262-F265 PolarHBondContact O-N 2.99Å; Q262-N266 WeakPolarHBondContact O-CB 3.47Å; Q262-N266 PolarHBondContact O-N 2.74Å
263L57.9Low64.1Low67 Ų6792.1 Ų92.135%0.35146%0.462SS..Hα-helixtrans-62-44.4168.4-80.9168.6000111T257 N259 T260 F265 N266 C267T257-L263 HydrophobicContact CG2-CD2 4.35Å; T257-L263 HydrophobicContact CG2-CG 3.94Å; T257-L263 WeakPolarHBondContact O-CD1 3.41Å; T257-L263 WeakPolarHBondContact O-CG 3.26Å; N259-L263 PolarHBondContact O-N 2.82Å; T260-L263 PolarHBondContact O-N 2.8Å; L263-F265 VanDerWaalsContact C-N 3.3Å; L263-F265 PolarHBondContact O-N 3.45Å; L263-N266 PolarHBondContact O-N 2.98Å; L263-C267 VanDerWaalsContact O-CB 3.31Å; L263-C267 WeakPolarHBondContact O-CB 3.46Å; L263-C267 PolarHBondContact O-N 2.79Å; L263-C267 PolarHBondContact O-SG 3.12Å
264L59.2Low64.9Low121 Ų12193 Ų9363%0.63447%0.465SS*.Hα-helixtrans-60.2-38.8173.1-76.2163.5000112.3T260 D261 K268T260-L264 PolarHBondContact O-N 2.78Å; T260-L264 VanDerWaalsContact O-N 3.07Å; D261-L264 PolarHBondContact O-N 2.84Å; L264-K268 WeakPolarHBondContact O-CB 3.29Å; L264-K268 PolarHBondContact O-N 3.35Å
265F60.8Low66Low120 Ų12093.3 Ų93.353%0.52648%0.475SS..Hα-helixtrans-64.5-51.9174.1-167.9-83.8000111.6D261 Q262 L263 C267 K268 Y269D261-F265 PolarHBondContact O-N 3.36Å; Q262-F265 WeakPolarHBondContact O-CB 3.45Å; Q262-F265 PolarHBondContact O-N 2.99Å; L263-F265 VanDerWaalsContact C-N 3.3Å; L263-F265 PolarHBondContact O-N 3.45Å; F265-C267 PolarHBondContact O-N 2.97Å; F265-K268 WeakPolarHBondContact O-CB 3.28Å; F265-K268 PolarHBondContact O-N 3.4Å; F265-K268 VanDerWaalsContact O-N 3.12Å; F265-Y269 AromaticContact CD1-CD2 3.58Å; F265-Y269 HydrophobicContact CD1-CD2 3.58Å; F265-Y269 AromaticContact CD1-CE2 3.85Å; F265-Y269 HydrophobicContact CD1-CE2 3.85Å; F265-Y269 HydrophobicContact CD2-CD2 4.33Å; F265-Y269 AromaticContact CD2-CE2 3.77Å; F265-Y269 HydrophobicContact CD2-CE2 3.77Å; F265-Y269 AromaticContact CE1-CD2 3.47Å; F265-Y269 HydrophobicContact CE1-CD2 3.47Å; F265-Y269 VanDerWaalsContact CE1-CD2 3.47Å; F265-Y269 AromaticContact CE1-CE2 3.62Å; F265-Y269 HydrophobicContact CE1-CE2 3.62Å; F265-Y269 HydrophobicContact CE2-CD2 4.26Å; F265-Y269 AromaticContact CE2-CE2 3.55Å; F265-Y269 HydrophobicContact CE2-CE2 3.55Å; F265-Y269 HydrophobicContact CG-CD2 4.01Å; F265-Y269 AromaticContact CG-CE2 3.92Å; F265-Y269 HydrophobicContact CG-CE2 3.92Å; F265-Y269 AromaticContact CZ-CD2 3.83Å; F265-Y269 HydrophobicContact CZ-CD2 3.83Å; F265-Y269 AromaticContact CZ-CE2 3.46Å; F265-Y269 HydrophobicContact CZ-CE2 3.46Å; F265-Y269 VanDerWaalsContact CZ-CE2 3.46Å; F265-Y269 WeakPolarHBondContact O-CD2 3.46Å; F265-Y269 PolarHBondContact O-N 2.9Å; F265-Y269 VanDerWaalsContact O-N 3.14Å
266N63.8Low67.1Low25 Ų2589.8 Ų89.813%0.13446%0.462CS..Hα-helixtrans-66.2-42.5-175.7-68.4-3.2000111.2L253 T257 Q262 L263 K268 Y269 T270L253-N266 PolarHBondContact O-ND2 3.04Å; T257-N266 PolarHBondContact OG1-ND2 2.88Å; Q262-N266 WeakPolarHBondContact O-CB 3.47Å; Q262-N266 PolarHBondContact O-N 2.74Å; L263-N266 PolarHBondContact O-N 2.98Å; N266-K268 VanDerWaalsContact C-N 3.27Å; N266-K268 PolarHBondContact O-N 3.28Å; N266-Y269 CarbonylContact O-C 3.56Å; N266-Y269 PolarHBondContact O-N 3.46Å; N266-Y269 VanDerWaalsContact O-N 3.07Å; N266-T270 PolarHBondContact O-N 3.14Å; N266-T270 PolarHBondContact O-OG1 3.31Å; N266-T270 VanDerWaalsContact O-OG1 3.12Å
267C65.7Low68.3Low84 Ų8485.3 Ų85.357%0.56843%0.434SS*.Hα-helixtrans-62.5-29.9173.4-69.60000113.5L263 F265L263-C267 VanDerWaalsContact O-CB 3.31Å; L263-C267 WeakPolarHBondContact O-CB 3.46Å; L263-C267 PolarHBondContact O-N 2.79Å; L263-C267 PolarHBondContact O-SG 3.12Å; F265-C267 PolarHBondContact O-N 2.97Å
268K75.4Confident69.8Low147 Ų14787.9 Ų87.964%0.63945%0.447SS*.Hα-helixtrans-70.7-31.5173.3-179.7-173.8176.3-160.60112.2L264 F265 N266L264-K268 WeakPolarHBondContact O-CB 3.29Å; L264-K268 PolarHBondContact O-N 3.35Å; F265-K268 WeakPolarHBondContact O-CB 3.28Å; F265-K268 PolarHBondContact O-N 3.4Å; F265-K268 VanDerWaalsContact O-N 3.12Å; N266-K268 VanDerWaalsContact C-N 3.27Å; N266-K268 PolarHBondContact O-N 3.28Å
269Y76.9Confident71.3Confident75 Ų7583.8 Ų83.829%0.29443%0.425SS..Hα-helixtrans-108.26.4-176.2-59-65.5000114.9F265 N266 R271 L272 N273F265-Y269 AromaticContact CD1-CD2 3.58Å; F265-Y269 HydrophobicContact CD1-CD2 3.58Å; F265-Y269 AromaticContact CD1-CE2 3.85Å; F265-Y269 HydrophobicContact CD1-CE2 3.85Å; F265-Y269 HydrophobicContact CD2-CD2 4.33Å; F265-Y269 AromaticContact CD2-CE2 3.77Å; F265-Y269 HydrophobicContact CD2-CE2 3.77Å; F265-Y269 AromaticContact CE1-CD2 3.47Å; F265-Y269 HydrophobicContact CE1-CD2 3.47Å; F265-Y269 VanDerWaalsContact CE1-CD2 3.47Å; F265-Y269 AromaticContact CE1-CE2 3.62Å; F265-Y269 HydrophobicContact CE1-CE2 3.62Å; F265-Y269 HydrophobicContact CE2-CD2 4.26Å; F265-Y269 AromaticContact CE2-CE2 3.55Å; F265-Y269 HydrophobicContact CE2-CE2 3.55Å; F265-Y269 HydrophobicContact CG-CD2 4.01Å; F265-Y269 AromaticContact CG-CE2 3.92Å; F265-Y269 HydrophobicContact CG-CE2 3.92Å; F265-Y269 AromaticContact CZ-CD2 3.83Å; F265-Y269 HydrophobicContact CZ-CD2 3.83Å; F265-Y269 AromaticContact CZ-CE2 3.46Å; F265-Y269 HydrophobicContact CZ-CE2 3.46Å; F265-Y269 VanDerWaalsContact CZ-CE2 3.46Å; F265-Y269 WeakPolarHBondContact O-CD2 3.46Å; F265-Y269 PolarHBondContact O-N 2.9Å; F265-Y269 VanDerWaalsContact O-N 3.14Å; N266-Y269 CarbonylContact O-C 3.56Å; N266-Y269 PolarHBondContact O-N 3.46Å; N266-Y269 VanDerWaalsContact O-N 3.07Å; Y269-R271 PolarHBondContact O-N 3.33Å; Y269-L272 HydrophobicContact CD1-CD2 4.32Å; Y269-L272 WeakPolarHBondContact O-CA 3.22Å; Y269-L272 WeakPolarHBondContact O-CB 3.45Å; Y269-L272 PolarHBondContact O-N 3.05Å; Y269-N273 PolarHBondContact O-N 2.89Å; Y269-N273 PolarHBondContact O-OD1 2.84Å
270T77.2Confident72.3Confident48 Ų4879.2 Ų79.229%0.29440%0.401SS..Hα-helixtrans-46.5-42.8175.1-57.10000112.8H254 N266 L272 N273 Q274H254-T270 PolarHBondContact CE1-OG1 3.07Å; H254-T270 PolarHBondContact NE2-OG1 3.42Å; H254-T270 VanDerWaalsContact NE2-OG1 3.1Å; N266-T270 PolarHBondContact O-N 3.14Å; N266-T270 PolarHBondContact O-OG1 3.31Å; N266-T270 VanDerWaalsContact O-OG1 3.12Å; T270-L272 VanDerWaalsContact C-N 3.34Å; T270-L272 PolarHBondContact O-N 3.34Å; T270-N273 PolarHBondContact O-N 2.8Å; T270-Q274 WeakPolarHBondContact O-CB 3.49Å; T270-Q274 PolarHBondContact O-N 2.86Å
271R81.7Confident73.2Confident224 Ų22477.5 Ų77.585%0.84539%0.385SS*.Hα-helixtrans-66.1-31.5177.3-178.1176175.4-174.8-0.9113.8Y269 A275Y269-R271 PolarHBondContact O-N 3.33Å; R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.08Å
272L83Confident73.9Confident95 Ų9577.5 Ų77.550%0.49739%0.385SS..Hα-helixtrans-75.1-43174.317662.4000110.4Y269 T270 A275 I276Y269-L272 HydrophobicContact CD1-CD2 4.32Å; Y269-L272 WeakPolarHBondContact O-CA 3.22Å; Y269-L272 WeakPolarHBondContact O-CB 3.45Å; Y269-L272 PolarHBondContact O-N 3.05Å; T270-L272 VanDerWaalsContact C-N 3.34Å; T270-L272 PolarHBondContact O-N 3.34Å; L272-A275 PolarHBondContact O-N 3.5Å; L272-I276 HydrophobicContact CD1-CD1 4.07Å; L272-I276 HydrophobicContact CD1-CG1 4.32Å; L272-I276 HydrophobicContact CG-CD1 3.95Å; L272-I276 WeakPolarHBondContact O-CG1 3.41Å; L272-I276 PolarHBondContact O-N 3.05Å
273N80.3Confident74.5Confident29 Ų2975.6 Ų75.616%0.15538%0.376CS..Hα-helixtrans-61.2-45.5177.9-64.74.3000111Y269 T270 I276 I277Y269-N273 PolarHBondContact O-N 2.89Å; Y269-N273 PolarHBondContact O-OD1 2.84Å; T270-N273 PolarHBondContact O-N 2.8Å; N273-I276 PolarHBondContact O-N 3.1Å; N273-I277 WeakPolarHBondContact O-CB 3.45Å; N273-I277 PolarHBondContact O-N 2.86Å
274Q81.3Confident74.6Confident52 Ų5277.2 Ų77.224%0.24339%0.393CS..Hα-helixtrans-57.1-52.4172.5-171.469.862.800111I250 T270 I276 I277 D278I250-Q274 HydrophobicContact CD1-CB 4.28Å; I250-Q274 VanDerWaalsContact CD1-OE1 3.24Å; T270-Q274 WeakPolarHBondContact O-CB 3.49Å; T270-Q274 PolarHBondContact O-N 2.86Å; Q274-I276 VanDerWaalsContact C-N 3.28Å; Q274-I276 PolarHBondContact O-N 3.48Å; Q274-I277 CarbonylContact O-C 3.57Å; Q274-I277 WeakPolarHBondContact O-CA 3.15Å; Q274-I277 WeakPolarHBondContact O-CB 3.3Å; Q274-I277 PolarHBondContact O-N 3.12Å; Q274-D278 PolarHBondContact NE2-OD1 3.15Å; Q274-D278 PolarHBondContact O-N 3.49Å
275A84.6Confident74.6Confident52 Ų5276.4 Ų76.443%0.4339%0.388SS..Hα-helixtrans-63.8-28.2-178.800000114.4R271 L272 I277 L279R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.08Å; L272-A275 PolarHBondContact O-N 3.5Å; A275-I277 VanDerWaalsContact C-N 3.35Å; A275-L279 WeakPolarHBondContact O-CB 3.48Å; A275-L279 PolarHBondContact O-N 2.82Å
276I81.3Confident75Confident40 Ų4070.7 Ų70.721%0.20536%0.363CS..Hα-helixtrans-68.8-37.3170.4-76.4168000110.7I200 L204 L272 N273 Q274 I280I200-I276 HydrophobicContact CG2-CG2 3.68Å; L204-I276 HydrophobicContact CD1-CG2 3.94Å; L204-I276 HydrophobicContact CD2-CG2 4.29Å; L204-I276 HydrophobicContact CG-CG2 4.37Å; L272-I276 HydrophobicContact CD1-CD1 4.07Å; L272-I276 HydrophobicContact CD1-CG1 4.32Å; L272-I276 HydrophobicContact CG-CD1 3.95Å; L272-I276 WeakPolarHBondContact O-CG1 3.41Å; L272-I276 PolarHBondContact O-N 3.05Å; N273-I276 PolarHBondContact O-N 3.1Å; Q274-I276 VanDerWaalsContact C-N 3.28Å; Q274-I276 PolarHBondContact O-N 3.48Å; I276-I280 HydrophobicContact CG2-CD1 3.99Å; I276-I280 WeakPolarHBondContact O-CD1 3.38Å; I276-I280 VanDerWaalsContact O-CG1 3.24Å; I276-I280 WeakPolarHBondContact O-CG1 3.25Å; I276-I280 PolarHBondContact O-N 3.38Å
277I77.4Confident75.6Confident0 Ų073.5 Ų73.50%038%0.376CS..Hα-helixtrans-79.2-42.3-176.7-84168000112I200 L246 L249 I250 N273 Q274 A275 L279 I280 Q281I200-I277 HydrophobicContact CD1-CD1 4.09Å; L246-I277 HydrophobicContact CB-CB 4.17Å; L246-I277 HydrophobicContact CB-CD1 4.04Å; L246-I277 HydrophobicContact CB-CG1 3.77Å; L246-I277 HydrophobicContact CB-CG2 3.56Å; L246-I277 HydrophobicContact CD1-CB 4.31Å; L246-I277 HydrophobicContact CD1-CG1 4.03Å; L246-I277 HydrophobicContact CD1-CG2 4.21Å; L249-I277 HydrophobicContact CB-CD1 4.46Å; I250-I277 HydrophobicContact CD1-CB 4.39Å; I250-I277 HydrophobicContact CD1-CD1 3.87Å; I250-I277 HydrophobicContact CD1-CG2 4.15Å; I250-I277 HydrophobicContact CG1-CD1 3.35Å; N273-I277 WeakPolarHBondContact O-CB 3.45Å; N273-I277 PolarHBondContact O-N 2.86Å; Q274-I277 CarbonylContact O-C 3.57Å; Q274-I277 WeakPolarHBondContact O-CA 3.15Å; Q274-I277 WeakPolarHBondContact O-CB 3.3Å; Q274-I277 PolarHBondContact O-N 3.12Å; A275-I277 VanDerWaalsContact C-N 3.35Å; I277-L279 VanDerWaalsContact C-N 3.25Å; I277-L279 PolarHBondContact O-N 3.19Å; I277-I280 PolarHBondContact O-N 3.33Å; I277-I280 VanDerWaalsContact O-N 3.08Å; I277-Q281 PolarHBondContact O-N 2.82Å
278D81.8Confident76.5Confident69 Ų6969.5 Ų69.537%0.36935%0.349SS..Hα-helixtrans-51.6-48.4168.8-55.1-21.8000109.7Q274 I280 Q281 D282Q274-D278 PolarHBondContact NE2-OD1 3.15Å; Q274-D278 PolarHBondContact O-N 3.49Å; D278-I280 VanDerWaalsContact C-N 3.34Å; D278-I280 PolarHBondContact O-N 3.48Å; D278-Q281 PolarHBondContact O-N 2.92Å; D278-D282 WeakPolarHBondContact O-CB 3.32Å; D278-D282 PolarHBondContact O-N 3.22Å
279L81.8Confident77Confident73 Ų7362.8 Ų62.838%0.38232%0.32SS..Hα-helixtrans-61-36.3178175.967000113.4L207 A275 I277 H283L207-L279 HydrophobicContact CD2-CD2 4.46Å; L207-L279 HydrophobicContact CD2-CG 4.5Å; A275-L279 WeakPolarHBondContact O-CB 3.48Å; A275-L279 PolarHBondContact O-N 2.82Å; I277-L279 VanDerWaalsContact C-N 3.25Å; I277-L279 PolarHBondContact O-N 3.19Å; L279-H283 VanDerWaalsContact O-CB 3.31Å; L279-H283 WeakPolarHBondContact O-CB 3.45Å; L279-H283 PolarHBondContact O-CD2 3.24Å; L279-H283 PolarHBondContact O-N 3.33Å; L279-H283 VanDerWaalsContact O-N 3.16Å
280I77.2Confident77.6Confident1 Ų159.3 Ų59.31%0.00531%0.306CS..Hα-helixtrans-77.8-36.2178.2-64.3161.7000110.5I200 V203 L204 L244 L246 I276 I277 D278 H283 S284I200-I280 HydrophobicContact CG2-CD1 4.42Å; V203-I280 HydrophobicContact CB-CD1 4.32Å; V203-I280 HydrophobicContact CG1-CB 4.36Å; V203-I280 HydrophobicContact CG1-CD1 3.74Å; V203-I280 HydrophobicContact CG1-CG1 3.86Å; V203-I280 HydrophobicContact CG1-CG2 3.5Å; V203-I280 VanDerWaalsContact CG1-CG2 3.5Å; L204-I280 HydrophobicContact CD2-CD1 4.32Å; L204-I280 HydrophobicContact CD2-CG1 4.41Å; L204-I280 HydrophobicContact CG-CD1 4.42Å; L244-I280 HydrophobicContact CD1-CG2 4.5Å; L246-I280 HydrophobicContact CD1-CB 3.5Å; L246-I280 HydrophobicContact CD1-CD1 4.23Å; L246-I280 HydrophobicContact CD1-CG1 4.48Å; L246-I280 HydrophobicContact CD1-CG2 3.41Å; L246-I280 VanDerWaalsContact CD1-CG2 3.41Å; I276-I280 HydrophobicContact CG2-CD1 3.99Å; I276-I280 WeakPolarHBondContact O-CD1 3.38Å; I276-I280 VanDerWaalsContact O-CG1 3.24Å; I276-I280 WeakPolarHBondContact O-CG1 3.25Å; I276-I280 PolarHBondContact O-N 3.38Å; I277-I280 PolarHBondContact O-N 3.33Å; I277-I280 VanDerWaalsContact O-N 3.08Å; D278-I280 VanDerWaalsContact C-N 3.34Å; D278-I280 PolarHBondContact O-N 3.48Å; I280-H283 CarbonylContact O-C 3.42Å; I280-H283 WeakPolarHBondContact O-CA 3.45Å; I280-H283 PolarHBondContact O-N 3.25Å; I280-H283 VanDerWaalsContact O-N 3.16Å; I280-H283 VanDerWaalsContact O-O 3.06Å; I280-S284 PolarHBondContact O-N 3.49Å
281Q75.5Confident78.2Confident69 Ų6957.1 Ų57.132%0.32229%0.292SS..Hα-helixtrans-68.5-42.1176.1-72-174.4-31.200111.7L244 L246 I277 D278 H283 S284L244-Q281 PolarHBondContact O-NE2 3.3Å; L244-Q281 VanDerWaalsContact O-NE2 3.11Å; L246-Q281 HydrophobicContact CD1-CG 3.98Å; L246-Q281 HydrophobicContact CG-CG 4.28Å; I277-Q281 PolarHBondContact O-N 2.82Å; D278-Q281 PolarHBondContact O-N 2.92Å; Q281-H283 PolarHBondContact O-N 2.93Å; Q281-S284 PolarHBondContact O-N 2.96Å; Q281-S284 PolarHBondContact O-OG 3.45Å
282D72.7Confident78.6Confident135 Ų13547 Ų4772%0.72226%0.255SS*.Hα-helixtrans-58.1-32168.4-83.9-12.8000111.9D278D278-D282 WeakPolarHBondContact O-CB 3.32Å; D278-D282 PolarHBondContact O-N 3.22Å
283H68.9Low78.9Confident61 Ų6144 Ų4428%0.28224%0.239SC..THydrogen-bonded Turntrans-99.358173.2-67.6-36.6000112.3L207 L279 I280 Q281 I285 V286L207-H283 HydrophobicContact CD1-CB 3.56Å; L279-H283 VanDerWaalsContact O-CB 3.31Å; L279-H283 WeakPolarHBondContact O-CB 3.45Å; L279-H283 PolarHBondContact O-CD2 3.24Å; L279-H283 PolarHBondContact O-N 3.33Å; L279-H283 VanDerWaalsContact O-N 3.16Å; I280-H283 CarbonylContact O-C 3.42Å; I280-H283 WeakPolarHBondContact O-CA 3.45Å; I280-H283 PolarHBondContact O-N 3.25Å; I280-H283 VanDerWaalsContact O-N 3.16Å; I280-H283 VanDerWaalsContact O-O 3.06Å; Q281-H283 PolarHBondContact O-N 2.93Å; H283-I285 PolarHBondContact O-N 3.04Å; H283-V286 PolarHBondContact O-N 3.41Å
284S59.5Low79.3Confident101 Ų10150.3 Ų50.371%0.70627%0.268SS*.THydrogen-bonded Turntrans-62.119.2178.4-10.40000115.4I280 Q281I280-S284 PolarHBondContact O-N 3.49Å; Q281-S284 PolarHBondContact O-N 2.96Å; Q281-S284 PolarHBondContact O-OG 3.45Å
285I60.9Low79.6Confident104 Ų10449.4 Ų49.453%0.53327%0.265SS..THydrogen-bonded Turntrans-87.6-19.4179.4-45.5173.6000110.8M210 H283 Q287M210-I285 HydrophobicContact CE-CB 4.06Å; M210-I285 HydrophobicContact CE-CG2 4.03Å; M210-I285 HydrophobicContact SD-CB 4.25Å; M210-I285 HydrophobicContact SD-CG2 3.55Å; M210-I285 VanDerWaalsContact SD-CG2 3.55Å; H283-I285 PolarHBondContact O-N 3.04Å; I285-Q287 PolarHBondContact O-N 3.33Å
286V67.2Low79.8Confident0 Ų052.3 Ų52.30%027%0.272CS..  trans-84.849.6-175.5-1530000113.1V203 L207 M210 H283 F288V203-V286 HydrophobicContact CG1-CB 4.28Å; V203-V286 HydrophobicContact CG1-CG1 4.15Å; V203-V286 HydrophobicContact CG1-CG2 4.33Å; L207-V286 HydrophobicContact CD1-CG2 4.11Å; M210-V286 HydrophobicContact CE-CG2 4.04Å; H283-V286 PolarHBondContact O-N 3.41Å; V286-F288 HydrophobicContact CG1-CE2 3.72Å; V286-F288 HydrophobicContact CG1-CZ 3.86Å; V286-F288 WeakPolarHBondContact O-CD2 3.34Å; V286-F288 WeakPolarHBondContact O-CE2 3.37Å
287Q76.7Confident80.1Confident84 Ų8452.8 Ų52.839%0.39328%0.279SS..  trans-68.7142.5166.7-166.4-178.821.900109.9N219 T241 I285N219-Q287 WeakPolarHBondContact CB-O 3.42Å; N219-Q287 PolarHBondContact ND2-O 2.8Å; T241-Q287 VanDerWaalsContact O-CG 3.26Å; T241-Q287 WeakPolarHBondContact O-CG 3.47Å; T241-Q287 PolarHBondContact O-NE2 2.93Å; I285-Q287 PolarHBondContact O-N 3.33Å
288F85.1Confident80.7Confident1 Ų152.9 Ų52.90%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-110.8141.1172.8-67.8-95.4000112.2I188 F199 V203 N219 L221 V286I188-F288 HydrophobicContact CD1-CE1 4.11Å; F199-F288 HydrophobicContact CE2-CD2 4.32Å; F199-F288 AromaticContact CE2-CE2 3.98Å; F199-F288 HydrophobicContact CE2-CE2 3.98Å; F199-F288 HydrophobicContact CE2-CZ 4.41Å; F199-F288 HydrophobicContact CZ-CD2 4.32Å; F199-F288 AromaticContact CZ-CE2 3.98Å; F199-F288 HydrophobicContact CZ-CE2 3.98Å; V203-F288 HydrophobicContact CG2-CE2 3.96Å; V203-F288 HydrophobicContact CG2-CZ 4.2Å; N219-F288 HydrophobicContact CB-CD1 3.53Å; N219-F288 HydrophobicContact CB-CE1 3.6Å; N219-F288 HydrophobicContact CB-CG 4.12Å; N219-F288 HydrophobicContact CB-CZ 4.21Å; N219-F288 WeakPolarHBondContact O-CA 3.5Å; L221-F288 HydrophobicContact CD1-CB 3.95Å; L221-F288 HydrophobicContact CD1-CD1 4.49Å; L221-F288 HydrophobicContact CD1-CG 4.26Å; L221-F288 HydrophobicContact CD2-CD1 4.06Å; L221-F288 HydrophobicContact CD2-CE1 4.39Å; L221-F288 HydrophobicContact CG-CB 3.93Å; L221-F288 HydrophobicContact CG-CD1 3.77Å; L221-F288 HydrophobicContact CG-CG 4.01Å; V286-F288 HydrophobicContact CG1-CE2 3.72Å; V286-F288 HydrophobicContact CG1-CZ 3.86Å; V286-F288 WeakPolarHBondContact O-CD2 3.34Å; V286-F288 WeakPolarHBondContact O-CE2 3.37Å
289L86.9Confident81.1Confident6 Ų649.7 Ų49.73%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-98.3134.9165.5-59.3178000109.7V218 N219 I220 L221 V302 Y305V218-L289 HydrophobicContact CG1-CD1 3.76Å; V218-L289 HydrophobicContact CG1-CG 4.46Å; N219-L289 PolarHBondContact O-N 2.98Å; I220-L289 CarbonylContact C-O 3.45Å; I220-L289 VanDerWaalsContact CA-O 3.3Å; I220-L289 WeakPolarHBondContact CA-O 3.33Å; L221-L289 PolarHBondContact N-O 3.07Å; L289-V302 HydrophobicContact CB-CG2 4.31Å; L289-V302 HydrophobicContact CD1-CG2 4.08Å; L289-Y305 HydrophobicContact CD1-CD1 3.93Å; L289-Y305 HydrophobicContact CD1-CD2 4.1Å; L289-Y305 HydrophobicContact CD1-CG 3.68Å; L289-Y305 HydrophobicContact CD2-CD1 4.11Å; L289-Y305 HydrophobicContact CD2-CD2 4.46Å; L289-Y305 HydrophobicContact CD2-CE1 3.88Å; L289-Y305 HydrophobicContact CD2-CE2 4.25Å; L289-Y305 HydrophobicContact CD2-CG 4.39Å; L289-Y305 HydrophobicContact CG-CD1 4.44Å
290L87.9Confident81.4Confident2 Ų249.7 Ų49.71%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-76.9132.1171.8-68.2165.7000110L221 A224 I227 L237 T241 H298 I342L221-L290 HydrophobicContact CB-CD2 4Å; L221-L290 HydrophobicContact CD1-CD2 4.06Å; A224-L290 HydrophobicContact CB-CB 4.43Å; I227-L290 HydrophobicContact CD1-CD2 4.24Å; L237-L290 HydrophobicContact CB-CD1 4.18Å; L237-L290 HydrophobicContact CD1-CD1 4.19Å; L237-L290 HydrophobicContact CD2-CD1 4.28Å; L237-L290 HydrophobicContact CD2-CD2 4.41Å; L237-L290 HydrophobicContact CG-CD1 4.45Å; T241-L290 HydrophobicContact CG2-CD1 3.81Å; T241-L290 HydrophobicContact CG2-CG 3.89Å; L290-H298 PolarHBondContact O-ND1 3.47Å; L290-I342 HydrophobicContact CD1-CD1 4.31Å; L290-I342 HydrophobicContact CD1-CG2 3.94Å
291L90.4Very high81.9Confident1 Ų150.9 Ų50.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-127107.9176.8176.971.1000111.1Y33 L187 I220 L221 S222 K223 A224 I293 H298 I299 V302Y33-L291 HydrophobicContact CD2-CD2 3.66Å; Y33-L291 HydrophobicContact CE2-CD2 4.23Å; L187-L291 HydrophobicContact CD2-CD2 4.03Å; I220-L291 HydrophobicContact CG2-CB 3.39Å; I220-L291 HydrophobicContact CG2-CD2 3.88Å; I220-L291 HydrophobicContact CG2-CG 4.28Å; L221-L291 PolarHBondContact O-N 3.24Å; S222-L291 CarbonylContact C-O 3.6Å; K223-L291 PolarHBondContact N-O 3.33Å; K223-L291 VanDerWaalsContact N-O 3.09Å; A224-L291 PolarHBondContact N-O 3.05Å; L291-I293 HydrophobicContact CD2-CG1 4.37Å; L291-I293 HydrophobicContact CG-CG1 4.36Å; L291-H298 HydrophobicContact CD1-CB 4.23Å; L291-I299 HydrophobicContact CD1-CG1 3.93Å; L291-V302 HydrophobicContact CD1-CG2 4.37Å
292D90.1Very high82.7Confident12 Ų1247.7 Ų47.76%0.06425%0.25CS..  trans-86134.2151.9-176.8-12.4000107.9A224 Q294 D295 Y346A224-D292 HydrophobicContact CB-CB 4.36Å; D292-Q294 VanDerWaalsContact C-N 3.32Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.45Å; D292-Q294 PolarHBondContact OD1-N 3.1Å; D292-D295 HydrophobicContact CB-CB 4.03Å; D292-Y346 VanDerWaalsContact CB-OH 3.27Å; D292-Y346 WeakPolarHBondContact CB-OH 3.33Å; D292-Y346 PolarHBondContact OD2-OH 2.7Å
293I89.5Confident83.6Confident31 Ų3141.9 Ų41.916%0.15922%0.219CC..SBendtrans-80.3-17.8-179.6-64178000111.3T32 V36 L291T32-I293 HydrophobicContact CG2-CD1 3.95Å; T32-I293 HydrophobicContact CG2-CG2 4.27Å; V36-I293 HydrophobicContact CB-CG2 4.21Å; V36-I293 HydrophobicContact CG1-CG2 4.27Å; V36-I293 HydrophobicContact CG2-CG2 3.71Å; L291-I293 HydrophobicContact CD2-CG1 4.37Å; L291-I293 HydrophobicContact CG-CG1 4.36Å
294Q88.2Confident84.6Confident162 Ų16244.8 Ų44.876%0.75723%0.227SC*.SBendtrans-83.7-21.8173.5-50.3-55.5-34.200112.7D292D292-Q294 VanDerWaalsContact C-N 3.32Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.45Å; D292-Q294 PolarHBondContact OD1-N 3.1Å
295D88.6Confident86.1Confident34 Ų3442.5 Ų42.518%0.18220%0.204CC..  trans-95107.7-175.5-161.1-52.8000112.6D292 S297 H298 I299 K345D292-D295 HydrophobicContact CB-CB 4.03Å; D295-S297 PolarHBondContact O-N 3.26Å; D295-S297 WeakPolarHBondContact OD1-CA 3.16Å; D295-S297 VanDerWaalsContact OD1-CB 3.28Å; D295-S297 WeakPolarHBondContact OD1-CB 3.24Å; D295-S297 PolarHBondContact OD1-N 3.18Å; D295-S297 PolarHBondContact OD1-OG 3.15Å; D295-H298 HydrophobicContact CB-CB 4.37Å; D295-H298 VanDerWaalsContact CG-CD2 3.45Å; D295-H298 PolarHBondContact O-N 3.23Å; D295-H298 VanDerWaalsContact O-N 3.15Å; D295-H298 IonicContact OD1-CD2 3.18Å; D295-H298 IonicContact OD2-CD2 3.53Å; D295-I299 PolarHBondContact O-N 2.98Å; D295-K345 IonicContact OD2-NZ 2.66Å; D295-K345 PolarHBondContact OD2-NZ 3.1Å
296L88.5Confident87.6Confident112 Ų11237.6 Ų37.659%0.58618%0.178SC*.Hα-helixtrans-59.9-25.5178.7-64.1176.1000113.7F40 I299 E300F40-L296 HydrophobicContact CD2-CD2 4.13Å; F40-L296 HydrophobicContact CE2-CD2 4.46Å; L296-I299 HydrophobicContact CD2-CD1 4.2Å; L296-E300 WeakPolarHBondContact O-CB 3.31Å; L296-E300 PolarHBondContact O-N 2.89Å
297S87.3Confident88.8Confident50 Ų5037.7 Ų37.735%0.3518%0.179SC..Hα-helixtrans-74.8-34.1177.774.50000112.3D295 E300 R301D295-S297 PolarHBondContact O-N 3.26Å; D295-S297 WeakPolarHBondContact OD1-CA 3.16Å; D295-S297 VanDerWaalsContact OD1-CB 3.28Å; D295-S297 WeakPolarHBondContact OD1-CB 3.24Å; D295-S297 PolarHBondContact OD1-N 3.18Å; D295-S297 PolarHBondContact OD1-OG 3.15Å; S297-E300 PolarHBondContact O-N 3.48Å; S297-R301 WeakPolarHBondContact O-CB 3.46Å; S297-R301 PolarHBondContact O-N 3.24Å
298H89.6Confident89.3Confident3 Ų338.4 Ų38.41%0.01418%0.178CC..Hα-helixtrans-66.6-43.9172-71.7-121.5000110.5L290 L291 D295 E300 R301 V302 W338L290-H298 PolarHBondContact O-ND1 3.47Å; L291-H298 HydrophobicContact CD1-CB 4.23Å; D295-H298 HydrophobicContact CB-CB 4.37Å; D295-H298 VanDerWaalsContact CG-CD2 3.45Å; D295-H298 PolarHBondContact O-N 3.23Å; D295-H298 VanDerWaalsContact O-N 3.15Å; D295-H298 IonicContact OD1-CD2 3.18Å; D295-H298 IonicContact OD2-CD2 3.53Å; H298-E300 PolarHBondContact O-N 2.91Å; H298-R301 PolarHBondContact O-N 3.16Å; H298-V302 WeakPolarHBondContact O-CG2 3.24Å; H298-V302 PolarHBondContact O-N 2.82Å; H298-W338 AromaticContact CD2-CZ2 3.87Å; H298-W338 AromaticContact CG-CZ2 3.99Å; H298-W338 AromaticContact NE2-CZ2 3.92Å
299I91.1Very high89.6Confident2 Ų240 Ų401%0.0119%0.192CC..Hα-helixtrans-62.2-42.6176.3-62.6157.1000110.8V36 M37 F40 L291 D295 L296 V302 M303V36-I299 HydrophobicContact CG1-CD1 3.45Å; V36-I299 VanDerWaalsContact CG1-CD1 3.45Å; V36-I299 HydrophobicContact CG1-CG1 4.29Å; M37-I299 HydrophobicContact CE-CG2 3.81Å; M37-I299 HydrophobicContact SD-CG2 4.46Å; F40-I299 HydrophobicContact CB-CG2 3.9Å; F40-I299 HydrophobicContact CD1-CG2 3.66Å; F40-I299 HydrophobicContact CD2-CG2 4.02Å; F40-I299 HydrophobicContact CE1-CG2 4.15Å; F40-I299 HydrophobicContact CE2-CG2 4.48Å; F40-I299 HydrophobicContact CG-CG2 3.58Å; L291-I299 HydrophobicContact CD1-CG1 3.93Å; D295-I299 PolarHBondContact O-N 2.98Å; L296-I299 HydrophobicContact CD2-CD1 4.2Å; I299-V302 PolarHBondContact O-N 3.33Å; I299-M303 PolarHBondContact O-N 2.72Å
300E88.8Confident89.8Confident73 Ų7340.2 Ų40.234%0.34119%0.193SC..Hα-helixtrans-64.6-43.8175.6-162.4-169.8170.200112.1F40 L296 S297 H298 V302 M303 R304F40-E300 HydrophobicContact CE1-CB 4.27Å; F40-E300 HydrophobicContact CE1-CG 4.36Å; F40-E300 HydrophobicContact CZ-CB 3.7Å; F40-E300 HydrophobicContact CZ-CG 3.9Å; L296-E300 WeakPolarHBondContact O-CB 3.31Å; L296-E300 PolarHBondContact O-N 2.89Å; S297-E300 PolarHBondContact O-N 3.48Å; H298-E300 PolarHBondContact O-N 2.91Å; E300-V302 PolarHBondContact O-N 3.09Å; E300-M303 HydrophobicContact CG-CE 4.09Å; E300-M303 WeakPolarHBondContact O-CB 3.38Å; E300-M303 PolarHBondContact O-N 3.17Å; E300-R304 VanDerWaalsContact O-CG 3.32Å; E300-R304 WeakPolarHBondContact O-CG 3.27Å; E300-R304 PolarHBondContact O-N 3.12Å; E300-R304 IonicContact OE1-CZ 3.45Å; E300-R304 VanDerWaalsContact OE1-CZ 3.25Å; E300-R304 IonicContact OE1-NE 3.72Å; E300-R304 PolarHBondContact OE1-NE 3.25Å; E300-R304 IonicContact OE1-NH2 3.79Å; E300-R304 PolarHBondContact OE1-NH2 3.33Å; E300-R304 IonicContact OE2-NH2 3.03Å; E300-R304 PolarHBondContact OE2-NH2 3.4Å
301R87.6Confident89.7Confident26 Ų2641 Ų4110%0.09820%0.202CC..Hα-helixtrans-59-47.2175.8-173.2176.7177.7145.5-0.4110.8S297 H298 M303 R304 Y305 E333 W338S297-R301 WeakPolarHBondContact O-CB 3.46Å; S297-R301 PolarHBondContact O-N 3.24Å; H298-R301 PolarHBondContact O-N 3.16Å; R301-M303 PolarHBondContact O-N 3.18Å; R301-R304 PolarHBondContact O-N 3.02Å; R301-Y305 HydrophobicContact CG-CD2 3.98Å; R301-Y305 HydrophobicContact CG-CE2 3.78Å; R301-Y305 PolarHBondContact NH2-OH 2.91Å; R301-Y305 VanDerWaalsContact O-CD2 3.29Å; R301-Y305 WeakPolarHBondContact O-CD2 3.28Å; R301-Y305 PolarHBondContact O-N 3.42Å; R301-E333 IonicContact CZ-OE2 3.5Å; R301-E333 IonicContact NE-OE2 2.64Å; R301-E333 PolarHBondContact NE-OE2 3.05Å; R301-E333 IonicContact NH1-OE2 3.64Å; R301-E333 IonicContact NH2-OE2 3.9Å; R301-E333 PolarHBondContact NH2-OE2 2.87Å; R301-W338 VanDerWaalsContact CD-CH2 3.48Å; R301-W338 VanDerWaalsContact NH1-CZ3 3.28Å
302V92.5Very high89.5Confident1 Ų143.3 Ų43.31%0.00621%0.211CC..Hα-helixtrans-58-47.8175.9167.90000111.3Y33 M37 I220 L289 L291 H298 I299 E300 R304 Y305 V306Y33-V302 HydrophobicContact CE2-CG1 3.84Å; Y33-V302 VanDerWaalsContact OH-CG1 3.27Å; Y33-V302 WeakPolarHBondContact OH-CG1 3.45Å; M37-V302 HydrophobicContact CE-CB 4.5Å; M37-V302 HydrophobicContact CE-CG1 4.06Å; I220-V302 HydrophobicContact CD1-CB 4.32Å; I220-V302 HydrophobicContact CD1-CG1 3.49Å; I220-V302 VanDerWaalsContact CD1-CG1 3.49Å; I220-V302 HydrophobicContact CD1-CG2 3.79Å; I220-V302 HydrophobicContact CG1-CG2 4.43Å; L289-V302 HydrophobicContact CB-CG2 4.31Å; L289-V302 HydrophobicContact CD1-CG2 4.08Å; L291-V302 HydrophobicContact CD1-CG2 4.37Å; H298-V302 WeakPolarHBondContact O-CG2 3.24Å; H298-V302 PolarHBondContact O-N 2.82Å; I299-V302 PolarHBondContact O-N 3.33Å; E300-V302 PolarHBondContact O-N 3.09Å; V302-R304 PolarHBondContact O-N 3.02Å; V302-Y305 PolarHBondContact O-N 3.5Å; V302-V306 HydrophobicContact CG1-CG2 4.22Å; V302-V306 WeakPolarHBondContact O-CB 3.32Å; V302-V306 VanDerWaalsContact O-CG2 3.25Å; V302-V306 WeakPolarHBondContact O-CG2 3.16Å; V302-V306 PolarHBondContact O-N 3.06Å
303M91.4Very high88.9Confident13 Ų1343.3 Ų43.36%0.06421%0.211CC..Hα-helixtrans-54.5-50.5175.8178.1-165.572.600111.5M37 F40 L41 L44 I299 E300 R301 Y305 V306 D307M37-M303 HydrophobicContact CE-CB 4.17Å; M37-M303 HydrophobicContact SD-CB 4.28Å; F40-M303 HydrophobicContact CD1-SD 4.27Å; F40-M303 HydrophobicContact CE1-CB 4.32Å; F40-M303 HydrophobicContact CE1-CE 4.24Å; F40-M303 HydrophobicContact CE1-SD 3.75Å; L41-M303 HydrophobicContact CD2-CG 3.92Å; L41-M303 HydrophobicContact CD2-SD 3.59Å; L41-M303 VanDerWaalsContact CD2-SD 3.59Å; L44-M303 HydrophobicContact CD1-CE 3.92Å; L44-M303 HydrophobicContact CD1-SD 3.47Å; L44-M303 WeakPolarHBondContact CD1-SD 3.3Å; I299-M303 PolarHBondContact O-N 2.72Å; E300-M303 HydrophobicContact CG-CE 4.09Å; E300-M303 WeakPolarHBondContact O-CB 3.38Å; E300-M303 PolarHBondContact O-N 3.17Å; R301-M303 PolarHBondContact O-N 3.18Å; M303-Y305 PolarHBondContact O-N 3.48Å; M303-V306 PolarHBondContact O-N 3.17Å; M303-D307 WeakPolarHBondContact CG-OD2 3.32Å; M303-D307 WeakPolarHBondContact O-CB 3.36Å; M303-D307 VanDerWaalsContact O-CG 3.32Å; M303-D307 PolarHBondContact O-N 2.76Å
304R89.5Confident88.1Confident122 Ų12247.8 Ų47.846%0.4623%0.229SC..Hα-helixtrans-58.7-43-178.8-69169.4-177.8-1774.6112.3E300 R301 V302 R308E300-R304 VanDerWaalsContact O-CG 3.32Å; E300-R304 WeakPolarHBondContact O-CG 3.27Å; E300-R304 PolarHBondContact O-N 3.12Å; E300-R304 IonicContact OE1-CZ 3.45Å; E300-R304 VanDerWaalsContact OE1-CZ 3.25Å; E300-R304 IonicContact OE1-NE 3.72Å; E300-R304 PolarHBondContact OE1-NE 3.25Å; E300-R304 IonicContact OE1-NH2 3.79Å; E300-R304 PolarHBondContact OE1-NH2 3.33Å; E300-R304 IonicContact OE2-NH2 3.03Å; E300-R304 PolarHBondContact OE2-NH2 3.4Å; R301-R304 PolarHBondContact O-N 3.02Å; V302-R304 PolarHBondContact O-N 3.02Å; R304-R308 VanDerWaalsContact O-CB 3.29Å; R304-R308 WeakPolarHBondContact O-CB 3.35Å; R304-R308 PolarHBondContact O-N 3.1Å
305Y90.4Very high87Confident54 Ų5441.4 Ų41.421%0.21221%0.207CC..Hα-helixtrans-66.7-42.6177.1-85.8-115.6000111.9L289 R301 V302 M303 R308 A309 E333L289-Y305 HydrophobicContact CD1-CD1 3.93Å; L289-Y305 HydrophobicContact CD1-CD2 4.1Å; L289-Y305 HydrophobicContact CD1-CG 3.68Å; L289-Y305 HydrophobicContact CD2-CD1 4.11Å; L289-Y305 HydrophobicContact CD2-CD2 4.46Å; L289-Y305 HydrophobicContact CD2-CE1 3.88Å; L289-Y305 HydrophobicContact CD2-CE2 4.25Å; L289-Y305 HydrophobicContact CD2-CG 4.39Å; L289-Y305 HydrophobicContact CG-CD1 4.44Å; R301-Y305 HydrophobicContact CG-CD2 3.98Å; R301-Y305 HydrophobicContact CG-CE2 3.78Å; R301-Y305 PolarHBondContact NH2-OH 2.91Å; R301-Y305 VanDerWaalsContact O-CD2 3.29Å; R301-Y305 WeakPolarHBondContact O-CD2 3.28Å; R301-Y305 PolarHBondContact O-N 3.42Å; V302-Y305 PolarHBondContact O-N 3.5Å; M303-Y305 PolarHBondContact O-N 3.48Å; Y305-R308 PolarHBondContact O-N 3.1Å; Y305-A309 WeakPolarHBondContact O-CB 3.42Å; Y305-A309 PolarHBondContact O-N 3.13Å; Y305-E333 WeakPolarHBondContact CE2-OE2 3.46Å; Y305-E333 VanDerWaalsContact CZ-OE2 3.3Å; Y305-E333 PolarHBondContact OH-OE2 3.13Å
306V93.2Very high85.4Confident0 Ų046.1 Ų46.10%024%0.237CC..Hα-helixtrans-70.2-40-178175.70000112Q20 T183 V185 V218 V302 M303 A309 N310Q20-V306 HydrophobicContact CB-CG1 4.47Å; Q20-V306 HydrophobicContact CG-CG1 3.56Å; T183-V306 HydrophobicContact CG2-CG1 3.93Å; T183-V306 HydrophobicContact CG2-CG2 4.45Å; T183-V306 PolarHBondContact OG1-O 2.85Å; V185-V306 HydrophobicContact CG2-CG1 3.96Å; V185-V306 HydrophobicContact CG2-CG2 3.68Å; V218-V306 HydrophobicContact CB-CG2 4.03Å; V218-V306 HydrophobicContact CG1-CG2 4.11Å; V218-V306 HydrophobicContact CG2-CG2 3.92Å; V302-V306 HydrophobicContact CG1-CG2 4.22Å; V302-V306 WeakPolarHBondContact O-CB 3.32Å; V302-V306 VanDerWaalsContact O-CG2 3.25Å; V302-V306 WeakPolarHBondContact O-CG2 3.16Å; V302-V306 PolarHBondContact O-N 3.06Å; M303-V306 PolarHBondContact O-N 3.17Å; V306-A309 PolarHBondContact O-N 3.18Å; V306-N310 VanDerWaalsContact O-CG 3.32Å; V306-N310 PolarHBondContact O-N 3.09Å; V306-N310 PolarHBondContact O-OD1 3.48Å
307D90.9Very high83.8Confident2 Ų245.7 Ų45.71%0.01124%0.236CC..Hα-helixtrans-69.9-30.4174.6-70.1-21.3000112.9R46 Y118 M303 N310 G311 Y312 V313R46-D307 IonicContact CZ-OD2 2.82Å; R46-D307 IonicContact NH1-OD1 3.29Å; R46-D307 PolarHBondContact NH1-OD1 3.26Å; R46-D307 IonicContact NH1-OD2 3.07Å; R46-D307 PolarHBondContact NH1-OD2 3.18Å; R46-D307 IonicContact NH2-OD2 3.54Å; R46-D307 PolarHBondContact NH2-OD2 3Å; Y118-D307 VanDerWaalsContact CE2-OD1 3.25Å; Y118-D307 WeakPolarHBondContact CE2-OD1 3.49Å; Y118-D307 VanDerWaalsContact CZ-OD1 3.28Å; Y118-D307 PolarHBondContact OH-OD1 2.91Å; M303-D307 WeakPolarHBondContact CG-OD2 3.32Å; M303-D307 WeakPolarHBondContact O-CB 3.36Å; M303-D307 VanDerWaalsContact O-CG 3.32Å; M303-D307 PolarHBondContact O-N 2.76Å; D307-N310 WeakPolarHBondContact CA-OD1 3.33Å; D307-N310 PolarHBondContact O-OD1 2.79Å; D307-N310 VanDerWaalsContact O-OD1 3.1Å; D307-G311 CarbonylContact O-C 3.53Å; D307-G311 WeakPolarHBondContact O-CA 3.34Å; D307-G311 PolarHBondContact O-N 3.35Å; D307-G311 VanDerWaalsContact O-N 3.1Å; D307-Y312 HydrophobicContact CB-CD1 4.15Å; D307-Y312 PolarHBondContact O-N 2.84Å; D307-V313 HydrophobicContact CB-CG2 3.67Å; D307-V313 PolarHBondContact O-N 3.34Å
308R88.9Confident82.1Confident100 Ų10046.9 Ų46.938%0.37724%0.236SC..Hα-helixtrans-66.8-41.8168.6178.7-177.4175.6136.89110.6R304 Y305 G311 S328 A329 G331R304-R308 VanDerWaalsContact O-CB 3.29Å; R304-R308 WeakPolarHBondContact O-CB 3.35Å; R304-R308 PolarHBondContact O-N 3.1Å; Y305-R308 PolarHBondContact O-N 3.1Å; R308-G311 PolarHBondContact O-N 2.82Å; R308-S328 WeakPolarHBondContact CD-O 3.21Å; R308-S328 PolarHBondContact NE-O 2.85Å; R308-S328 PolarHBondContact NH1-O 3.02Å; R308-A329 PolarHBondContact NH2-O 2.87Å; R308-G331 VanDerWaalsContact NH1-N 3.18Å
309A89.8Confident79.9Confident35 Ų3556.1 Ų56.129%0.28928%0.279SS..Hα-helixtrans-71.9-35-176.500000113.9T183 P216 V218 Y305 V306T183-A309 HydrophobicContact CG2-CB 3.89Å; T183-A309 VanDerWaalsContact OG1-C 3.26Å; T183-A309 WeakPolarHBondContact OG1-CB 3.13Å; P216-A309 HydrophobicContact CB-CB 3.99Å; P216-A309 WeakPolarHBondContact CG-O 3.07Å; V218-A309 HydrophobicContact CG2-CB 4.23Å; Y305-A309 WeakPolarHBondContact O-CB 3.42Å; Y305-A309 PolarHBondContact O-N 3.13Å; V306-A309 PolarHBondContact O-N 3.18Å
310N90.7Very high78.1Confident10 Ų1058.1 Ų58.15%0.05329%0.288CS..Hα-helixtrans-89-7.6172.665.225.7000113.1F18 G19 T183 V306 D307 Y312F18-N310 HydrophobicContact CD1-CB 4.43Å; F18-N310 WeakPolarHBondContact CD1-O 3.48Å; F18-N310 WeakPolarHBondContact CE1-O 3.34Å; G19-N310 PolarHBondContact O-ND2 3Å; G19-N310 VanDerWaalsContact O-ND2 3.15Å; T183-N310 WeakPolarHBondContact OG1-CB 3.46Å; T183-N310 PolarHBondContact OG1-N 3.03Å; V306-N310 VanDerWaalsContact O-CG 3.32Å; V306-N310 PolarHBondContact O-N 3.09Å; V306-N310 PolarHBondContact O-OD1 3.48Å; D307-N310 WeakPolarHBondContact CA-OD1 3.33Å; D307-N310 PolarHBondContact O-OD1 2.79Å; D307-N310 VanDerWaalsContact O-OD1 3.1Å; N310-Y312 WeakPolarHBondContact OD1-CB 3.43Å; N310-Y312 PolarHBondContact OD1-N 2.91Å
311G87.3Confident76.3Confident19 Ų1960.7 Ų60.720%0.19630%0.304CS..THydrogen-bonded Turntrans82.37.2178.700000115.5D307 R308 V313 F314D307-G311 CarbonylContact O-C 3.53Å; D307-G311 WeakPolarHBondContact O-CA 3.34Å; D307-G311 PolarHBondContact O-N 3.35Å; D307-G311 VanDerWaalsContact O-N 3.1Å; R308-G311 PolarHBondContact O-N 2.82Å; G311-V313 PolarHBondContact O-N 3.3Å; G311-F314 PolarHBondContact O-N 3.17Å
312Y86.2Confident74.7Confident49 Ų4966.1 Ų66.119%0.19233%0.334CS..G310 helixtrans-55.4-33.2176.3178.8-85.5000112.6F18 R46 Y118 D307 N310 F314 G315F18-Y312 HydrophobicContact CB-CD2 3.83Å; F18-Y312 HydrophobicContact CD1-CD2 4.49Å; F18-Y312 AromaticContact CD2-CD2 3.98Å; F18-Y312 HydrophobicContact CD2-CD2 3.98Å; F18-Y312 AromaticContact CG-CD2 3.85Å; F18-Y312 HydrophobicContact CG-CD2 3.85Å; F18-Y312 HydrophobicContact CG-CG 4.45Å; R46-Y312 VanDerWaalsContact NH2-CE1 3.32Å; Y118-Y312 AromaticContact CD2-CD2 3.83Å; Y118-Y312 HydrophobicContact CD2-CD2 3.83Å; Y118-Y312 AromaticContact CD2-CE2 3.89Å; Y118-Y312 HydrophobicContact CD2-CE2 3.89Å; Y118-Y312 HydrophobicContact CD2-CG 4.45Å; Y118-Y312 AromaticContact CE2-CD2 3.94Å; Y118-Y312 HydrophobicContact CE2-CD2 3.94Å; Y118-Y312 HydrophobicContact CE2-CE2 4.34Å; Y118-Y312 HydrophobicContact CE2-CG 4.11Å; D307-Y312 HydrophobicContact CB-CD1 4.15Å; D307-Y312 PolarHBondContact O-N 2.84Å; N310-Y312 WeakPolarHBondContact OD1-CB 3.43Å; N310-Y312 PolarHBondContact OD1-N 2.91Å; Y312-F314 PolarHBondContact O-N 2.64Å; Y312-F314 VanDerWaalsContact O-N 3.17Å; Y312-G315 WeakPolarHBondContact O-CA 3.44Å; Y312-G315 PolarHBondContact O-N 2.58Å
313V77.4Confident72.8Confident11 Ų1172.3 Ų72.37%0.06736%0.363CS..G310 helixtrans-60.3-23.3175.5179.50000113.2D307 G311 G315 H320 L325D307-V313 HydrophobicContact CB-CG2 3.67Å; D307-V313 PolarHBondContact O-N 3.34Å; G311-V313 PolarHBondContact O-N 3.3Å; V313-G315 PolarHBondContact O-N 3.17Å; V313-H320 PolarHBondContact O-NE2 3.09Å; V313-L325 HydrophobicContact CG1-CD2 4.26Å; V313-L325 VanDerWaalsContact O-CD2 3.23Å; V313-L325 WeakPolarHBondContact O-CD2 3.36Å
314F72.3Confident71.1Confident125 Ų12573.9 Ų73.955%0.54838%0.376SS..G310 helixtrans-84.63.5174.8-54.5-67.4000113G311 Y312 L325G311-F314 PolarHBondContact O-N 3.17Å; Y312-F314 PolarHBondContact O-N 2.64Å; Y312-F314 VanDerWaalsContact O-N 3.17Å; F314-L325 HydrophobicContact CD1-CD2 4.26Å
315G64.7Low69.6Low28 Ų2870.4 Ų70.429%0.28937%0.366SS..SBendtrans-66.8138.2174.600000112.6Y312 V313 N317Y312-G315 WeakPolarHBondContact O-CA 3.44Å; Y312-G315 PolarHBondContact O-N 2.58Å; V313-G315 PolarHBondContact O-N 3.17Å; G315-N317 PolarHBondContact O-N 3.04Å
316T54.7Low68.1Low134 Ų13473.5 Ų73.582%0.82239%0.385SS*.THydrogen-bonded Turntrans-72.523.1-172.663.30000115
317N54.7Low66.4Low103 Ų10377.6 Ų77.655%0.55140%0.404SS*.THydrogen-bonded Turntrans-141.7-20.5-153.4-106.5108.4000118.7K116 G315K116-N317 PolarHBondContact NZ-OD1 3.34Å; G315-N317 PolarHBondContact O-N 3.04Å
318E51.8Low64.6Low75 Ų7579 Ų7935%0.3541%0.414SS..SBendtrans-75.7153.7155-94.3169.6-152.300108.6R46 H320R46-E318 IonicContact CZ-OE1 2.68Å; R46-E318 IonicContact NE-OE1 3.17Å; R46-E318 PolarHBondContact NE-OE1 3.3Å; R46-E318 IonicContact NH2-OE1 3.25Å; R46-E318 PolarHBondContact NH2-OE1 3.38Å; R46-E318 IonicContact NH2-OE2 2.77Å; E318-H320 VanDerWaalsContact CB-NE2 3.32Å; E318-H320 WeakPolarHBondContact CB-NE2 3.23Å; E318-H320 PolarHBondContact O-CD2 2.84Å; E318-H320 PolarHBondContact O-N 3.16Å; E318-H320 IonicContact OE2-CE1 3.34Å
319Q44.4Very low62.9Low197 Ų19776.7 Ų76.792%0.92142%0.417SS*.  trans-78.259.1-173.8-69-177.6-17.100111.3N321Q319-N321 PolarHBondContact O-N 3.34Å
320H52.4Low61.4Low43 Ų4378.2 Ų78.220%0.19943%0.426CS..  trans-70.5105.9-178.4-58.2-64.7000111V313 E318 S324 L325V313-H320 PolarHBondContact O-NE2 3.09Å; E318-H320 VanDerWaalsContact CB-NE2 3.32Å; E318-H320 WeakPolarHBondContact CB-NE2 3.23Å; E318-H320 PolarHBondContact O-CD2 2.84Å; E318-H320 PolarHBondContact O-N 3.16Å; E318-H320 IonicContact OE2-CE1 3.34Å; H320-S324 PolarHBondContact ND1-OG 3.43Å; H320-S324 VanDerWaalsContact ND1-OG 3.15Å; H320-L325 HydrophobicContact CB-CD1 4Å; H320-L325 HydrophobicContact CB-CD2 4.48Å; H320-L325 HydrophobicContact CB-CG 3.84Å
321N52.5Low59.4Low128 Ų12879.9 Ų79.968%0.68445%0.445SS*.  trans-49.9140.3147.9-74.7-30.2000108.3Q319 Q323 S324Q319-N321 PolarHBondContact O-N 3.34Å; N321-Q323 PolarHBondContact O-N 2.95Å; N321-S324 WeakPolarHBondContact O-CB 3.45Å; N321-S324 PolarHBondContact O-N 2.96Å
322L53.4Low57.4Low139 Ų13983.1 Ų83.173%0.72846%0.461SS*.Hα-helixtrans-50.1-32.1177.1-79165.1000112.5S324 L325 L326L322-S324 PolarHBondContact O-N 3.01Å; L322-L325 PolarHBondContact O-N 2.65Å; L322-L326 WeakPolarHBondContact O-CB 3.28Å; L322-L326 VanDerWaalsContact O-CG 3.28Å; L322-L326 WeakPolarHBondContact O-CG 3.38Å; L322-L326 PolarHBondContact O-N 3.28Å
323Q51.5Low55.6Low131 Ų13184 Ų8461%0.61247%0.467SS*.Hα-helixtrans-59.6-38.6173.8-172.1167.2-0.300113.8N321 L326 H327N321-Q323 PolarHBondContact O-N 2.95Å; Q323-L326 PolarHBondContact O-N 2.78Å; Q323-H327 PolarHBondContact O-CD2 3.47Å; Q323-H327 PolarHBondContact O-N 3.4Å
324S56Low53.6Low47 Ų4790.9 Ų90.933%0.32950%0.502SS..Hα-helixtrans-63.9-44175.3168.30000111.5H320 N321 L322 S328H320-S324 PolarHBondContact ND1-OG 3.43Å; H320-S324 VanDerWaalsContact ND1-OG 3.15Å; N321-S324 WeakPolarHBondContact O-CB 3.45Å; N321-S324 PolarHBondContact O-N 2.96Å; L322-S324 PolarHBondContact O-N 3.01Å; S324-S328 VanDerWaalsContact O-CB 3.31Å; S324-S328 WeakPolarHBondContact O-CB 3.45Å; S324-S328 PolarHBondContact O-N 2.89Å; S324-S328 PolarHBondContact O-OG 2.66Å
325L58.8Low52.4Low48 Ų4885.8 Ų85.825%0.25148%0.483SS..Hα-helixtrans-64.9-38.5173.7-71.4164.6000111.7V313 F314 H320 L322 S328 A329V313-L325 HydrophobicContact CG1-CD2 4.26Å; V313-L325 VanDerWaalsContact O-CD2 3.23Å; V313-L325 WeakPolarHBondContact O-CD2 3.36Å; F314-L325 HydrophobicContact CD1-CD2 4.26Å; H320-L325 HydrophobicContact CB-CD1 4Å; H320-L325 HydrophobicContact CB-CD2 4.48Å; H320-L325 HydrophobicContact CB-CG 3.84Å; L322-L325 PolarHBondContact O-N 2.65Å; L325-S328 CarbonylContact O-C 3.48Å; L325-S328 PolarHBondContact O-N 2.99Å; L325-A329 VanDerWaalsContact O-CB 3.23Å; L325-A329 WeakPolarHBondContact O-CB 3.16Å; L325-A329 PolarHBondContact O-N 2.97Å
326L58.3Low51.6Low119 Ų11988.8 Ų88.862%0.62350%0.498SS*.Hα-helixtrans-67.8-41.4177.8-73167000112.8L322 Q323 A329 S330L322-L326 WeakPolarHBondContact O-CB 3.28Å; L322-L326 VanDerWaalsContact O-CG 3.28Å; L322-L326 WeakPolarHBondContact O-CG 3.38Å; L322-L326 PolarHBondContact O-N 3.28Å; Q323-L326 PolarHBondContact O-N 2.78Å; L326-A329 PolarHBondContact O-N 3.09Å; L326-S330 VanDerWaalsContact O-CB 3.28Å; L326-S330 WeakPolarHBondContact O-CB 3.35Å; L326-S330 PolarHBondContact O-N 3.11Å; L326-S330 PolarHBondContact O-OG 2.84Å
327H57.8Low51.4Low86 Ų8688.4 Ų88.440%0.39849%0.49SS..Hα-helixtrans-63.3-44.6170.9-76.8-74.1000111.4Q323 A329 S330 G331Q323-H327 PolarHBondContact O-CD2 3.47Å; Q323-H327 PolarHBondContact O-N 3.4Å; H327-A329 PolarHBondContact O-N 3.49Å; H327-S330 PolarHBondContact O-N 2.69Å; H327-S330 PolarHBondContact O-OG 3.13Å; H327-G331 PolarHBondContact O-N 3.01Å
328S53.9Low51.2Low31 Ų3185.6 Ų85.622%0.21747%0.472CS..Hα-helixtrans-70.2-17.3179.7-52.80000113.7R308 S324 L325R308-S328 WeakPolarHBondContact CD-O 3.21Å; R308-S328 PolarHBondContact NE-O 2.85Å; R308-S328 PolarHBondContact NH1-O 3.02Å; S324-S328 VanDerWaalsContact O-CB 3.31Å; S324-S328 WeakPolarHBondContact O-CB 3.45Å; S324-S328 PolarHBondContact O-N 2.89Å; S324-S328 PolarHBondContact O-OG 2.66Å; L325-S328 CarbonylContact O-C 3.48Å; L325-S328 PolarHBondContact O-N 2.99Å
329A53Low51.1Low52 Ų5282.1 Ų82.143%0.4346%0.456SS..Hα-helixtrans-90.2-42.917100000112.1R308 L325 L326 H327 G331R308-A329 PolarHBondContact NH2-O 2.87Å; L325-A329 VanDerWaalsContact O-CB 3.23Å; L325-A329 WeakPolarHBondContact O-CB 3.16Å; L325-A329 PolarHBondContact O-N 2.97Å; L326-A329 PolarHBondContact O-N 3.09Å; H327-A329 PolarHBondContact O-N 3.49Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 2.61Å
330S57Low51.6Low68 Ų6874.7 Ų74.748%0.47643%0.432SS..Hα-helixtrans-66.1-31.4-17269.90000113.8L326 H327 V332L326-S330 VanDerWaalsContact O-CB 3.28Å; L326-S330 WeakPolarHBondContact O-CB 3.35Å; L326-S330 PolarHBondContact O-N 3.11Å; L326-S330 PolarHBondContact O-OG 2.84Å; H327-S330 PolarHBondContact O-N 2.69Å; H327-S330 PolarHBondContact O-OG 3.13Å; S330-V332 PolarHBondContact O-N 3.4Å; S330-V332 PolarHBondContact OG-N 3.18Å; S330-V332 VanDerWaalsContact OG-N 3.16Å
331G49.8Very low51.7Low45 Ų4578.2 Ų78.246%0.46445%0.45SS..  trans78.20.4-172.200000113.8R308 H327 A329 E333R308-G331 VanDerWaalsContact NH1-N 3.18Å; H327-G331 PolarHBondContact O-N 3.01Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 2.61Å; G331-E333 VanDerWaalsContact C-N 3.34Å; G331-E333 PolarHBondContact O-N 3.07Å
332V45.1Very low51.9Low87 Ų8772.3 Ų72.353%0.52742%0.419SS..  trans-82.883.6174.2-1740000108.6S330S330-V332 PolarHBondContact O-N 3.4Å; S330-V332 PolarHBondContact OG-N 3.18Å; S330-V332 VanDerWaalsContact OG-N 3.16Å
333E47.8Very low51.9Low68 Ų6868 Ų6832%0.31840%0.395SS..  trans-70.6122.7154.3-69.4-164.9126.500108.3R301 Y305 G331 A335R301-E333 IonicContact CZ-OE2 3.5Å; R301-E333 IonicContact NE-OE2 2.64Å; R301-E333 PolarHBondContact NE-OE2 3.05Å; R301-E333 IonicContact NH1-OE2 3.64Å; R301-E333 IonicContact NH2-OE2 3.9Å; R301-E333 PolarHBondContact NH2-OE2 2.87Å; Y305-E333 WeakPolarHBondContact CE2-OE2 3.46Å; Y305-E333 VanDerWaalsContact CZ-OE2 3.3Å; Y305-E333 PolarHBondContact OH-OE2 3.13Å; G331-E333 VanDerWaalsContact C-N 3.34Å; G331-E333 PolarHBondContact O-N 3.07Å; E333-A335 HydrophobicContact CB-CB 3.92Å; E333-A335 PolarHBondContact O-N 3.37Å
334L35.3Very low52.2Low154 Ų15468.1 Ų68.181%0.80640%0.396SS*.  trans-7771.7167.5-71.5163.9000107.9
335A47.1Very low52.5Low19 Ų1970.8 Ų70.816%0.15740%0.401CS..  trans-136.322.6-170.200000117.6E333 D337 W338E333-A335 HydrophobicContact CB-CB 3.92Å; E333-A335 PolarHBondContact O-N 3.37Å; A335-D337 PolarHBondContact O-N 3.38Å; A335-W338 HydrophobicContact CB-CB 4.19Å; A335-W338 WeakPolarHBondContact O-CB 3.3Å; A335-W338 PolarHBondContact O-N 2.58Å
336P47.5Very low52.5Low91 Ų9169.2 Ų69.259%0.59139%0.392SS*.Hα-helixtrans-60.4-33.9172.628.4-33.9000111.2W338P336-W338 PolarHBondContact O-N 2.94Å
337D50.5Low52.4Low125 Ų12566 Ų6667%0.66838%0.375SS*.Hα-helixtrans-61.6-26.1175.9-55.4-10.6000112.9A335 G340 M341A335-D337 PolarHBondContact O-N 3.38Å; D337-G340 PolarHBondContact O-N 3.03Å; D337-M341 VanDerWaalsContact O-CG 3.3Å; D337-M341 WeakPolarHBondContact O-CG 3.49Å; D337-M341 PolarHBondContact O-N 2.88Å
338W51.4Low52.1Low45 Ų4565.3 Ų65.317%0.1738%0.379CS..Hα-helixtrans-72.2-38.3-171.8-173.672.7000113.2H298 R301 A335 P336 M341 I342H298-W338 AromaticContact CD2-CZ2 3.87Å; H298-W338 AromaticContact CG-CZ2 3.99Å; H298-W338 AromaticContact NE2-CZ2 3.92Å; R301-W338 VanDerWaalsContact CD-CH2 3.48Å; R301-W338 VanDerWaalsContact NH1-CZ3 3.28Å; A335-W338 HydrophobicContact CB-CB 4.19Å; A335-W338 WeakPolarHBondContact O-CB 3.3Å; A335-W338 PolarHBondContact O-N 2.58Å; P336-W338 PolarHBondContact O-N 2.94Å; W338-M341 PolarHBondContact O-N 2.92Å; W338-I342 HydrophobicContact CD2-CD1 3.64Å; W338-I342 HydrophobicContact CD2-CG1 4.42Å; W338-I342 HydrophobicContact CE3-CD1 3.49Å; W338-I342 VanDerWaalsContact CE3-CD1 3.49Å; W338-I342 HydrophobicContact CH2-CD1 3.51Å; W338-I342 HydrophobicContact CZ2-CD1 3.61Å; W338-I342 HydrophobicContact CZ3-CD1 3.43Å; W338-I342 VanDerWaalsContact CZ3-CD1 3.43Å; W338-I342 WeakPolarHBondContact O-CG1 3.42Å; W338-I342 PolarHBondContact O-N 3.4Å
339I50.2Low51.6Low2 Ų271.6 Ų71.61%0.0140%0.403CS..Hα-helixtrans-74-35.9178.6-49.7157.2000109.4L237 D238 T241 E242 M341 I342 Q343L237-I339 HydrophobicContact CB-CG2 4.1Å; D238-I339 WeakPolarHBondContact OD1-CG2 3.41Å; T241-I339 WeakPolarHBondContact OG1-CD1 3.44Å; E242-I339 VanDerWaalsContact CD-CD1 3.46Å; E242-I339 HydrophobicContact CG-CD1 3.51Å; E242-I339 WeakPolarHBondContact OE1-CD1 3.49Å; I339-M341 PolarHBondContact O-N 3.23Å; I339-I342 CarbonylContact O-C 3.56Å; I339-I342 PolarHBondContact O-N 2.8Å; I339-I342 VanDerWaalsContact O-N 3.13Å; I339-Q343 WeakPolarHBondContact O-CB 3.44Å; I339-Q343 PolarHBondContact O-N 3.31Å
340G54Low50.8Low41 Ų4175.7 Ų75.742%0.42341%0.411SS..Hα-helixtrans-55.8-46.7166.900000112.6D337 I342 Q343 E344D337-G340 PolarHBondContact O-N 3.03Å; G340-I342 VanDerWaalsContact C-N 3.32Å; G340-I342 PolarHBondContact O-N 3.21Å; G340-Q343 PolarHBondContact O-N 2.99Å; G340-E344 WeakPolarHBondContact O-CB 3.4Å; G340-E344 PolarHBondContact O-N 3.22Å
341M55.4Low49.9Very low117 Ų11778 Ų7858%0.57642%0.418SS*.Hα-helixtrans-62.1-34.5174.2-73.617668.500113.3D337 W338 I339 K345D337-M341 VanDerWaalsContact O-CG 3.3Å; D337-M341 WeakPolarHBondContact O-CG 3.49Å; D337-M341 PolarHBondContact O-N 2.88Å; W338-M341 PolarHBondContact O-N 2.92Å; I339-M341 PolarHBondContact O-N 3.23Å; M341-K345 WeakPolarHBondContact O-CB 3.36Å; M341-K345 PolarHBondContact O-N 2.89Å
342I55.8Low49.3Very low4 Ų483.6 Ų83.62%0.02144%0.437CS..Hα-helixtrans-72.7-43174.7-68.2171.6000110.6L237 L290 W338 I339 G340 E344 K345 Y346L237-I342 HydrophobicContact CD1-CG2 3.52Å; L290-I342 HydrophobicContact CD1-CD1 4.31Å; L290-I342 HydrophobicContact CD1-CG2 3.94Å; W338-I342 HydrophobicContact CD2-CD1 3.64Å; W338-I342 HydrophobicContact CD2-CG1 4.42Å; W338-I342 HydrophobicContact CE3-CD1 3.49Å; W338-I342 VanDerWaalsContact CE3-CD1 3.49Å; W338-I342 HydrophobicContact CH2-CD1 3.51Å; W338-I342 HydrophobicContact CZ2-CD1 3.61Å; W338-I342 HydrophobicContact CZ3-CD1 3.43Å; W338-I342 VanDerWaalsContact CZ3-CD1 3.43Å; W338-I342 WeakPolarHBondContact O-CG1 3.42Å; W338-I342 PolarHBondContact O-N 3.4Å; I339-I342 CarbonylContact O-C 3.56Å; I339-I342 PolarHBondContact O-N 2.8Å; I339-I342 VanDerWaalsContact O-N 3.13Å; G340-I342 VanDerWaalsContact C-N 3.32Å; G340-I342 PolarHBondContact O-N 3.21Å; I342-E344 VanDerWaalsContact C-N 3.26Å; I342-E344 PolarHBondContact O-N 3.28Å; I342-K345 PolarHBondContact O-N 3.22Å; I342-Y346 HydrophobicContact CB-CD2 4.34Å; I342-Y346 HydrophobicContact CG2-CD2 3.58Å; I342-Y346 HydrophobicContact CG2-CE2 4.04Å; I342-Y346 WeakPolarHBondContact O-CB 3.43Å; I342-Y346 WeakPolarHBondContact O-CD2 3.14Å; I342-Y346 PolarHBondContact O-N 2.87Å
343Q53.9Low48.8Very low48 Ų4887.2 Ų87.222%0.22445%0.453CS..Hα-helixtrans-62.5-34.9175.4173.5143.4-1.200111.3N236 I339 G340 M347 S348N236-Q343 VanDerWaalsContact CG-NE2 3.35Å; N236-Q343 PolarHBondContact OD1-NE2 2.92Å; I339-Q343 WeakPolarHBondContact O-CB 3.44Å; I339-Q343 PolarHBondContact O-N 3.31Å; G340-Q343 PolarHBondContact O-N 2.99Å; Q343-M347 HydrophobicContact CB-SD 4.06Å; Q343-M347 HydrophobicContact CG-CB 4.31Å; Q343-M347 HydrophobicContact CG-CG 4.26Å; Q343-M347 HydrophobicContact CG-SD 3.55Å; Q343-M347 VanDerWaalsContact CG-SD 3.55Å; Q343-M347 CarbonylContact O-C 3.58Å; Q343-M347 VanDerWaalsContact O-CA 3.3Å; Q343-M347 WeakPolarHBondContact O-CA 3.36Å; Q343-M347 WeakPolarHBondContact O-CB 3.43Å; Q343-M347 PolarHBondContact O-N 2.67Å; Q343-S348 PolarHBondContact O-N 3.28Å
344E57.3Low47.9Very low134 Ų13490.5 Ų90.563%0.62647%0.473SS*.Hα-helixtrans-66.2-56.5168.5-165170.2-151.200110.8G340 I342 Y346 S348G340-E344 WeakPolarHBondContact O-CB 3.4Å; G340-E344 PolarHBondContact O-N 3.22Å; I342-E344 VanDerWaalsContact C-N 3.26Å; I342-E344 PolarHBondContact O-N 3.28Å; E344-Y346 VanDerWaalsContact C-N 3.31Å; E344-Y346 PolarHBondContact O-N 3.07Å; E344-S348 PolarHBondContact O-N 3.38Å; E344-S348 PolarHBondContact O-OG 3.41Å
345K61.9Low47.7Very low102 Ų10291.4 Ų91.444%0.44347%0.473SS..Hα-helixtrans-59.2-32.1-176.8-175.8-178.6173.3-150.80115.1D295 M341 I342D295-K345 IonicContact OD2-NZ 2.66Å; D295-K345 PolarHBondContact OD2-NZ 3.1Å; M341-K345 WeakPolarHBondContact O-CB 3.36Å; M341-K345 PolarHBondContact O-N 2.89Å; I342-K345 PolarHBondContact O-N 3.22Å
346Y59.8Low46.8Very low16 Ų1697.9 Ų97.96%0.06351%0.505CS..Hα-helixtrans-126.56-172.4-57.8-88.6000114.8D225 E228 D292 I342 E344D225-Y346 HydrophobicContact CB-CE1 4.46Å; E228-Y346 WeakPolarHBondContact CG-O 3.19Å; D292-Y346 VanDerWaalsContact CB-OH 3.27Å; D292-Y346 WeakPolarHBondContact CB-OH 3.33Å; D292-Y346 PolarHBondContact OD2-OH 2.7Å; I342-Y346 HydrophobicContact CB-CD2 4.34Å; I342-Y346 HydrophobicContact CG2-CD2 3.58Å; I342-Y346 HydrophobicContact CG2-CE2 4.04Å; I342-Y346 WeakPolarHBondContact O-CB 3.43Å; I342-Y346 WeakPolarHBondContact O-CD2 3.14Å; I342-Y346 PolarHBondContact O-N 2.87Å; E344-Y346 VanDerWaalsContact C-N 3.31Å; E344-Y346 PolarHBondContact O-N 3.07Å
347M56.6Low45.9Very low52 Ų52101.4 Ų101.426%0.25652%0.517SS..Hα-helixtrans-137-20.2172.9-44.8176.3114.400115L233 L237 Q343 K349L233-M347 HydrophobicContact CB-CE 4.12Å; L233-M347 HydrophobicContact CD1-CE 3.69Å; L233-M347 HydrophobicContact CG-CE 4.41Å; L237-M347 HydrophobicContact CD1-CG 4.18Å; L237-M347 HydrophobicContact CD1-SD 4.01Å; L237-M347 HydrophobicContact CD2-CE 4.32Å; L237-M347 HydrophobicContact CG-CE 3.88Å; L237-M347 HydrophobicContact CG-SD 3.81Å; Q343-M347 HydrophobicContact CB-SD 4.06Å; Q343-M347 HydrophobicContact CG-CB 4.31Å; Q343-M347 HydrophobicContact CG-CG 4.26Å; Q343-M347 HydrophobicContact CG-SD 3.55Å; Q343-M347 VanDerWaalsContact CG-SD 3.55Å; Q343-M347 CarbonylContact O-C 3.58Å; Q343-M347 VanDerWaalsContact O-CA 3.3Å; Q343-M347 WeakPolarHBondContact O-CA 3.36Å; Q343-M347 WeakPolarHBondContact O-CB 3.43Å; Q343-M347 PolarHBondContact O-N 2.67Å; M347-K349 VanDerWaalsContact C-N 3.28Å; M347-K349 PolarHBondContact O-N 3.19Å
348S50.8Low44.7Very low71 Ų71101.9 Ų101.950%0.49752%0.519SS..  trans-83.113.4-168.877.60000116Q343 E344 K350Q343-S348 PolarHBondContact O-N 3.28Å; E344-S348 PolarHBondContact O-N 3.38Å; E344-S348 PolarHBondContact O-OG 3.41Å; S348-K350 PolarHBondContact O-N 2.61Å
349K44.1Very low43.6Very low163 Ų163107.1 Ų107.171%0.70955%0.551SS**  trans-71.952.7168.6-63.4-163.2-161.4106.20112.9E228 M347E228-K349 WeakPolarHBondContact OE1-CD 3.35Å; E228-K349 WeakPolarHBondContact OE1-CE 3.38Å; E228-K349 WeakPolarHBondContact OE1-CG 3.02Å; E228-K349 IonicContact OE1-NZ 2.61Å; E228-K349 PolarHBondContact OE1-NZ 2.93Å; E228-K349 IonicContact OE2-NZ 2.67Å; E228-K349 PolarHBondContact OE2-NZ 3.29Å; M347-K349 VanDerWaalsContact C-N 3.28Å; M347-K349 PolarHBondContact O-N 3.19Å
350K36.1Very low42.5Very low138 Ų138113.6 Ų113.660%0.659%0.586SS**  trans-103.1120.3168-97.5-179.7174.2172.40110.4E232 S348E232-K350 WeakPolarHBondContact OE1-CE 3.44Å; E232-K350 IonicContact OE1-NZ 2.79Å; E232-K350 PolarHBondContact OE1-NZ 2.78Å; S348-K350 PolarHBondContact O-N 2.61Å
351N38.1Very low41.6Very low117 Ų117117.9 Ų117.963%0.62660%0.603SS**SBendtrans80.634.7150.4-50.1-20.3000120.1
352D37Very low40.3Very low162 Ų162119.7 Ų119.787%0.86661%0.61SS**SBendtrans-91.8-38.2157.5-91-22.1000112.8N354D352-N354 PolarHBondContact O-N 3.44Å
353D34.6Very low38.9Very low162 Ų162127 Ų12787%0.86665%0.649SS**THydrogen-bonded Turntrans-83.3-6.4-175.4-73.7-40.5000115.4H355D353-H355 PolarHBondContact O-N 3.46Å
354N29.4Very low37.8Very low137 Ų137131.7 Ų131.773%0.73368%0.676SS**THydrogen-bonded Turntrans-94.523.4-175.5-92.6-20.4000114.8D352D352-N354 PolarHBondContact O-N 3.44Å
355H29.5Very low36.6Very low174 Ų174132.7 Ų132.781%0.80669%0.686SS**SBendtrans-130.749.4172.6-86-25.3000113.4D353D353-H355 PolarHBondContact O-N 3.46Å
356N29.2Very low35Very low155 Ų155136 Ų13683%0.82970%0.703SS**  trans-165.792.1150.9-94-45.7000112.2
357I27.7Very low33.8Very low164 Ų164140.8 Ų140.884%0.84174%0.736SS**  trans-164.1136.6140.3-100.6150.3000107.7
358D26.6Very low32.6Very low135 Ų135146.1 Ų146.172%0.72276%0.76SS**  trans-63.1160.6-176-47.2-92.8000113.1
359N28.6Very low31.8Very low155 Ų155149.4 Ų149.483%0.82977%0.77SS**  -158.9144.7116.8-105.8-61000113.3
360N26.7Very low31.2Very low139 Ų139148.7 Ų148.774%0.74377%0.774SS**  trans-80.8126170.3-66.5-81.6000109.7
361V33.9Very low31Very low131 Ų131148.1 Ų148.179%0.79478%0.777SS**  trans-135.685153.9-173.50000104.8
362Q28.3Very low30.6Very low155 Ų155152.3 Ų152.372%0.72479%0.79SS**  48.5107.999.2-75.1-169.6-107.500112.7D364Q362-D364 PolarHBondContact O-N 3.11Å
363N26.7Very low30.6Very low156 Ų156153 Ų15383%0.83482%0.818SS**  trans-70.3123.3166.8-44.5-38.3000108
364D31.4Very low30.4Very low148 Ų148152.5 Ų152.579%0.79182%0.816SS**  trans-118.5128.6157.9-81.4-48000106.7Q362Q362-D364 PolarHBondContact O-N 3.11Å
365D32Very low30.5Very low155 Ų155153.3 Ų153.383%0.82982%0.82SS**  trans-71.5143.4-163.8-62.5-68.7000114.2
366E28.2Very low30.6Very low172 Ų172152.2 Ų152.280%0.80482%0.821SS**  trans-66.9129175.4-68.5-173.2120.800112.1H368E366-H368 PolarHBondContact O-N 3.46Å
367P35.3Very low30.6Very low116 Ų116152 Ų15275%0.75382%0.82SS**  trans-7592167.630.7-32.6000109.9I369P367-I369 PolarHBondContact O-N 3.25Å; P367-I369 VanDerWaalsContact O-N 3.11Å
368H31.2Very low30.8Very low163 Ų163151.3 Ų151.376%0.75582%0.819SS**  trans-53.1112.6172.9-123.4-90.5000110.9E366E366-H368 PolarHBondContact O-N 3.46Å
369I32.5Very low31.1Very low141 Ų141152.3 Ų152.372%0.72383%0.825SS**  trans-102.192.2170.4-57.7-179.6000107.9P367 L371P367-I369 PolarHBondContact O-N 3.25Å; P367-I369 VanDerWaalsContact O-N 3.11Å; I369-L371 HydrophobicContact CG2-CD1 4.1Å; I369-L371 PolarHBondContact O-N 3Å
370D32.9Very low31.3Very low148 Ų148152.1 Ų152.179%0.79183%0.825SS**  trans-72.2109.9174.7-120.5-6000109.7
371L31.8Very low31.6Very low126 Ų126153.2 Ų153.266%0.6683%0.831SS**  trans-85145.6161.2-78.189.7000108.8I369I369-L371 HydrophobicContact CG2-CD1 4.1Å; I369-L371 PolarHBondContact O-N 3Å
372F30.1Very low31.4Very low204 Ų204155 Ų15590%0.89583%0.834SS**  trans86.257.1176.4-47.9-70.1000118.1
373A37Very low31.7Very low176 Ų176155 Ų155100%1.45585%0.845SS**  trans-145.40146.100000111.6

Retrieved 373 of 373 residues in 438.1 ms (Link to these results)

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