G4VT56_SCHMA Loading...

Putative calcineurin B subunit

AlphaFold DB , UniProt , Accession G4VT56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 188 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
1M33.2Very low56.3Low244 Ų244107.1 Ų107.1100%1.20264%0.64SS**  096.80-64.9-165.2-162.900107.1A3M1-A3 PolarHBondContact O-N 3.38Å
2G33.6Very low59.4Low76 Ų76103.2 Ų103.278%0.78462%0.622SS**  trans-81107.5176.800000108.2N4G2-N4 VanDerWaalsContact C-N 3.32Å; G2-N4 PolarHBondContact O-N 2.91Å
3A37.5Very low62Low84 Ų84100.4 Ų100.469%0.69460%0.598SS**  trans-67.799.9165.100000106.2M1 T5M1-A3 PolarHBondContact O-N 3.38Å; A3-T5 HydrophobicContact CB-CG2 4.39Å; A3-T5 PolarHBondContact O-N 3.01Å
4N39.2Very low64.4Low159 Ų15993.4 Ų93.485%0.8556%0.556SS**  trans-6578.8155.9-84.9-5.8000105.6G2 S6G2-N4 VanDerWaalsContact C-N 3.32Å; G2-N4 PolarHBondContact O-N 2.91Å; N4-S6 PolarHBondContact O-N 2.81Å
5T37.1Very low66.5Low106 Ų10694.7 Ų94.765%0.6555%0.554SS**  trans-58.7102.8159.146.10000104.1A3 N7A3-T5 HydrophobicContact CB-CG2 4.39Å; A3-T5 PolarHBondContact O-N 3.01Å; T5-N7 PolarHBondContact O-N 2.93Å
6S47.5Very low68.3Low87 Ų8794.9 Ų94.961%0.60855%0.548SS*.  trans-44.8114.4173.2-51.80000106.7N4 T8N4-S6 PolarHBondContact O-N 2.81Å; S6-T8 WeakPolarHBondContact CB-OG1 3.46Å; S6-T8 PolarHBondContact O-N 2.77Å; S6-T8 PolarHBondContact O-OG1 3.19Å
7N56.3Low70Confident92 Ų9289.4 Ų89.449%0.49252%0.516SS..  trans-67.761.7170.9-76.5-13.7000107.6T5 Y32 L36T5-N7 PolarHBondContact O-N 2.93Å; N7-Y32 VanDerWaalsContact O-CE1 3.29Å; N7-Y32 WeakPolarHBondContact O-CE1 3.48Å; N7-L36 HydrophobicContact CB-CD1 4.07Å
8T71.1Confident71.4Confident103 Ų10385.6 Ų85.663%0.63250%0.497SS*.  trans-107.5112.9-175.643.60000106.7S6 D10S6-T8 WeakPolarHBondContact CB-OG1 3.46Å; S6-T8 PolarHBondContact O-N 2.77Å; S6-T8 PolarHBondContact O-OG1 3.19Å; T8-D10 PolarHBondContact O-N 2.7Å
9L83.2Confident72.5Confident11 Ų1184.4 Ų84.46%0.05851%0.506CS..  trans-46.7130.5161-98.5153.1000109.9E13 V14 I28 Y29 Y32 F80L9-E13 HydrophobicContact CD2-CB 4.31Å; L9-E13 HydrophobicContact CD2-CG 3.97Å; L9-E13 WeakPolarHBondContact CD2-OE2 3.35Å; L9-V14 HydrophobicContact CB-CG2 3.87Å; L9-V14 HydrophobicContact CD1-CG2 4.44Å; L9-V14 HydrophobicContact CD2-CG2 4.23Å; L9-V14 HydrophobicContact CG-CG2 4.45Å; L9-I28 HydrophobicContact CD1-CG2 4.3Å; L9-Y29 HydrophobicContact CB-CD1 4.49Å; L9-Y29 HydrophobicContact CB-CE1 4.03Å; L9-Y32 HydrophobicContact CD1-CD1 3.68Å; L9-Y32 HydrophobicContact CD1-CD2 3.33Å; L9-Y32 HydrophobicContact CD1-CE1 4.29Å; L9-Y32 HydrophobicContact CD1-CE2 4.01Å; L9-Y32 HydrophobicContact CD1-CG 3.13Å; L9-Y32 HydrophobicContact CG-CD1 4.22Å; L9-Y32 HydrophobicContact CG-CD2 3.81Å; L9-Y32 HydrophobicContact CG-CE1 4.34Å; L9-Y32 HydrophobicContact CG-CE2 3.95Å; L9-Y32 HydrophobicContact CG-CG 3.93Å; L9-F80 HydrophobicContact CD1-CD1 4.2Å; L9-F80 HydrophobicContact CD1-CE1 3.49Å; L9-F80 VanDerWaalsContact CD1-CE1 3.49Å; L9-F80 HydrophobicContact CD1-CZ 3.87Å; L9-F80 HydrophobicContact CD2-CD1 3.89Å; L9-F80 HydrophobicContact CD2-CE1 3.69Å; L9-F80 HydrophobicContact CG-CD1 4.48Å; L9-F80 HydrophobicContact CG-CE1 4.15Å
10D90.1Very high73.6Confident93 Ų9382.1 Ų82.150%0.49749%0.489SS..  trans-65.8143.4173.9-177.434.1000110.4T8 S12 E13 V14T8-D10 PolarHBondContact O-N 2.7Å; D10-S12 PolarHBondContact O-N 3.4Å; D10-S12 WeakPolarHBondContact OD2-CB 3.29Å; D10-S12 PolarHBondContact OD2-OG 3.46Å; D10-E13 HydrophobicContact CB-CB 4.45Å; D10-E13 PolarHBondContact O-N 3.24Å; D10-V14 WeakPolarHBondContact O-CG2 3.48Å; D10-V14 PolarHBondContact O-N 3.38Å
11Q90.6Very high74.6Confident123 Ų12378.1 Ų78.158%0.57547%0.466SS*.Hα-helixtrans-62-36.1-178.7-178.1174.4-15.500111.2E13 V14 E15Q11-E13 PolarHBondContact O-N 3.22Å; Q11-V14 PolarHBondContact O-N 3.34Å; Q11-E15 WeakPolarHBondContact CG-OE1 3.49Å; Q11-E15 PolarHBondContact NE2-OE1 3.05Å; Q11-E15 WeakPolarHBondContact O-CG 3.38Å; Q11-E15 PolarHBondContact O-N 3.43Å
12S93.3Very high77.5Confident60 Ų6067.7 Ų67.742%0.4242%0.421SS..Hα-helixtrans-62.7-42.4177.277.10000111.7D10 V14 E15 E16D10-S12 PolarHBondContact O-N 3.4Å; D10-S12 WeakPolarHBondContact OD2-CB 3.29Å; D10-S12 PolarHBondContact OD2-OG 3.46Å; S12-V14 VanDerWaalsContact C-N 3.33Å; S12-V14 PolarHBondContact O-N 3.17Å; S12-E15 PolarHBondContact O-N 2.75Å; S12-E16 WeakPolarHBondContact O-CG 3.46Å; S12-E16 PolarHBondContact O-N 3.36Å
13E93.4Very high80.4Confident67 Ų6764.3 Ų64.331%0.31339%0.385SS..Hα-helixtrans-63.6-39.9176.2-172.9178.5-176.800111.4L9 D10 Q11 E15 E16 I17L9-E13 HydrophobicContact CD2-CB 4.31Å; L9-E13 HydrophobicContact CD2-CG 3.97Å; L9-E13 WeakPolarHBondContact CD2-OE2 3.35Å; D10-E13 HydrophobicContact CB-CB 4.45Å; D10-E13 PolarHBondContact O-N 3.24Å; Q11-E13 PolarHBondContact O-N 3.22Å; E13-E15 VanDerWaalsContact C-N 3.35Å; E13-E15 PolarHBondContact O-N 2.99Å; E13-E16 PolarHBondContact O-N 2.84Å; E13-I17 HydrophobicContact CG-CD1 3.89Å; E13-I17 HydrophobicContact CG-CG1 4.45Å; E13-I17 WeakPolarHBondContact O-CB 3.3Å; E13-I17 VanDerWaalsContact O-CG1 3.24Å; E13-I17 WeakPolarHBondContact O-CG1 3.44Å; E13-I17 PolarHBondContact O-N 2.91Å
14V96Very high83Confident2 Ų262.7 Ų62.71%0.01237%0.368CS..Hα-helixtrans-63.5-41.3176.21750000111.5L9 D10 Q11 S12 A18 P25 I28 Y29L9-V14 HydrophobicContact CB-CG2 3.87Å; L9-V14 HydrophobicContact CD1-CG2 4.44Å; L9-V14 HydrophobicContact CD2-CG2 4.23Å; L9-V14 HydrophobicContact CG-CG2 4.45Å; D10-V14 WeakPolarHBondContact O-CG2 3.48Å; D10-V14 PolarHBondContact O-N 3.38Å; Q11-V14 PolarHBondContact O-N 3.34Å; S12-V14 VanDerWaalsContact C-N 3.33Å; S12-V14 PolarHBondContact O-N 3.17Å; V14-A18 VanDerWaalsContact O-CB 3.26Å; V14-A18 WeakPolarHBondContact O-CB 3.33Å; V14-A18 PolarHBondContact O-N 3.14Å; V14-P25 HydrophobicContact CG1-CB 3.69Å; V14-P25 HydrophobicContact CG1-CG 4.21Å; V14-I28 HydrophobicContact CG1-CB 4.25Å; V14-I28 HydrophobicContact CG1-CD1 3.99Å; V14-I28 HydrophobicContact CG1-CG2 4.23Å; V14-I28 HydrophobicContact CG2-CG2 4.15Å; V14-I28 WeakPolarHBondContact O-CD1 3.36Å; V14-Y29 HydrophobicContact CG1-CE2 4.35Å; V14-Y29 HydrophobicContact CG2-CE1 4.11Å; V14-Y29 HydrophobicContact CG2-CE2 4.4Å
15E95.5Very high85.6Confident113 Ų11358.3 Ų58.353%0.52835%0.348SS..Hα-helixtrans-66.2-42.2177.8-72.8173.1-169.700111.7Q11 S12 E13 A18 G19Q11-E15 WeakPolarHBondContact CG-OE1 3.49Å; Q11-E15 PolarHBondContact NE2-OE1 3.05Å; Q11-E15 WeakPolarHBondContact O-CG 3.38Å; Q11-E15 PolarHBondContact O-N 3.43Å; S12-E15 PolarHBondContact O-N 2.75Å; E13-E15 VanDerWaalsContact C-N 3.35Å; E13-E15 PolarHBondContact O-N 2.99Å; E15-A18 PolarHBondContact O-N 3.01Å; E15-G19 PolarHBondContact O-N 3.22Å
16E95.8Very high88.3Confident98 Ų9860 Ų6046%0.45835%0.347SS..Hα-helixtrans-60.9-49.8173.8-73.6-174.6-165.100111.9S12 E13 A18 G19 E20 R81S12-E16 WeakPolarHBondContact O-CG 3.46Å; S12-E16 PolarHBondContact O-N 3.36Å; E13-E16 PolarHBondContact O-N 2.84Å; E16-A18 VanDerWaalsContact C-N 3.27Å; E16-A18 PolarHBondContact O-N 3.2Å; E16-G19 PolarHBondContact O-N 2.85Å; E16-E20 WeakPolarHBondContact O-CG 3.07Å; E16-E20 PolarHBondContact O-N 2.91Å; E16-R81 IonicContact OE2-CZ 3.24Å; E16-R81 VanDerWaalsContact OE2-CZ 3.24Å; E16-R81 IonicContact OE2-NH1 2.77Å; E16-R81 PolarHBondContact OE2-NH1 2.68Å; E16-R81 IonicContact OE2-NH2 2.89Å; E16-R81 PolarHBondContact OE2-NH2 2.76Å
17I96.5Very high90.5Very high1 Ų158.7 Ų58.71%0.00533%0.331CS..Hα-helixtrans-61.5-39.4178.9-68.8171.7000110.2E13 E20 T21 I28 F80 R81 V84E13-I17 HydrophobicContact CG-CD1 3.89Å; E13-I17 HydrophobicContact CG-CG1 4.45Å; E13-I17 WeakPolarHBondContact O-CB 3.3Å; E13-I17 VanDerWaalsContact O-CG1 3.24Å; E13-I17 WeakPolarHBondContact O-CG1 3.44Å; E13-I17 PolarHBondContact O-N 2.91Å; I17-E20 PolarHBondContact O-N 2.88Å; I17-T21 HydrophobicContact CG2-CG2 4.19Å; I17-T21 WeakPolarHBondContact O-CB 3.48Å; I17-T21 WeakPolarHBondContact O-CG2 3.42Å; I17-T21 PolarHBondContact O-N 3Å; I17-T21 PolarHBondContact O-OG1 3.09Å; I17-I28 HydrophobicContact CB-CD1 4Å; I17-I28 HydrophobicContact CG2-CD1 3.69Å; I17-I28 HydrophobicContact CG2-CG1 3.94Å; I17-I28 HydrophobicContact CG2-CG2 4.32Å; I17-F80 HydrophobicContact CD1-CD1 3.99Å; I17-F80 HydrophobicContact CD1-CE1 3.74Å; I17-R81 HydrophobicContact CD1-CB 4.47Å; I17-R81 HydrophobicContact CD1-CG 4.41Å; I17-R81 HydrophobicContact CG1-CG 4.13Å; I17-V84 HydrophobicContact CG2-CB 4.18Å; I17-V84 HydrophobicContact CG2-CG1 3.67Å
18A94.8Very high92.4Very high21 Ų2154.3 Ų54.317%0.17431%0.308CS..Hα-helixtrans-61.3-45.3177.600000111.7V14 E15 E16 E20 G22 F23 I28V14-A18 VanDerWaalsContact O-CB 3.26Å; V14-A18 WeakPolarHBondContact O-CB 3.33Å; V14-A18 PolarHBondContact O-N 3.14Å; E15-A18 PolarHBondContact O-N 3.01Å; E16-A18 VanDerWaalsContact C-N 3.27Å; E16-A18 PolarHBondContact O-N 3.2Å; A18-E20 VanDerWaalsContact C-N 3.33Å; A18-E20 PolarHBondContact O-N 3.08Å; A18-G22 WeakPolarHBondContact O-CA 3.46Å; A18-G22 PolarHBondContact O-N 3.35Å; A18-F23 WeakPolarHBondContact CA-O 3.22Å; A18-F23 VanDerWaalsContact CB-O 3.28Å; A18-F23 WeakPolarHBondContact CB-O 3.42Å; A18-I28 HydrophobicContact CB-CD1 3.77Å
19G93.5Very high93.5Very high64 Ų6454 Ų5466%0.6630%0.295SS*.Hα-helixtrans-62.4-38.5176.200000113.1E15 E16E15-G19 PolarHBondContact O-N 3.22Å; E16-G19 PolarHBondContact O-N 2.85Å
20E94.7Very high94Very high37 Ų3758.1 Ų58.117%0.17331%0.31CS..Hα-helixtrans-74-38-179.4-76.1-177.2173.900114.3E16 I17 A18 R81 R85 T99 F101E16-E20 WeakPolarHBondContact O-CG 3.07Å; E16-E20 PolarHBondContact O-N 2.91Å; I17-E20 PolarHBondContact O-N 2.88Å; A18-E20 VanDerWaalsContact C-N 3.33Å; A18-E20 PolarHBondContact O-N 3.08Å; E20-R81 IonicContact OE1-CZ 3.85Å; E20-R81 IonicContact OE1-NE 3.99Å; E20-R81 PolarHBondContact OE1-NE 2.88Å; E20-R81 IonicContact OE1-NH2 2.82Å; E20-R81 PolarHBondContact OE1-NH2 3.47Å; E20-R81 IonicContact OE2-CZ 3.42Å; E20-R81 IonicContact OE2-NE 3.52Å; E20-R81 PolarHBondContact OE2-NE 3.46Å; E20-R81 IonicContact OE2-NH2 2.76Å; E20-R85 IonicContact OE1-CZ 3.92Å; E20-R85 IonicContact OE1-NH2 2.76Å; E20-R85 PolarHBondContact OE1-NH2 3.4Å; E20-R85 IonicContact OE2-CZ 3.78Å; E20-R85 VanDerWaalsContact OE2-CZ 3.24Å; E20-R85 IonicContact OE2-NE 3.54Å; E20-R85 PolarHBondContact OE2-NE 2.86Å; E20-R85 IonicContact OE2-NH2 3.55Å; E20-R85 PolarHBondContact OE2-NH2 2.67Å; E20-T99 VanDerWaalsContact O-CB 3.22Å; E20-T99 WeakPolarHBondContact O-CB 3.16Å; E20-T99 PolarHBondContact O-OG1 2.97Å; E20-F101 HydrophobicContact CB-CD2 4.4Å; E20-F101 HydrophobicContact CB-CE2 4.07Å; E20-F101 WeakPolarHBondContact O-CD2 3.35Å
21T94.6Very high94.3Very high0 Ų053.8 Ų53.80%029%0.287CS..Hα-helixtrans-112.6-18.6-163.965.20000113.4I17 F23 V84 R85 A88 R91 F101I17-T21 HydrophobicContact CG2-CG2 4.19Å; I17-T21 WeakPolarHBondContact O-CB 3.48Å; I17-T21 WeakPolarHBondContact O-CG2 3.42Å; I17-T21 PolarHBondContact O-N 3Å; I17-T21 PolarHBondContact O-OG1 3.09Å; T21-F23 PolarHBondContact O-N 3.41Å; T21-F23 VanDerWaalsContact OG1-CD2 3.29Å; T21-F23 WeakPolarHBondContact OG1-CD2 3.43Å; T21-F23 PolarHBondContact OG1-N 3.11Å; T21-V84 HydrophobicContact CG2-CG1 4.07Å; T21-R85 HydrophobicContact CG2-CG 4.16Å; T21-A88 HydrophobicContact CG2-CB 4.12Å; T21-R91 WeakPolarHBondContact O-CD 3.07Å; T21-R91 PolarHBondContact O-NH1 2.72Å; T21-F101 HydrophobicContact CG2-CD2 4.27Å
22G92.8Very high94.5Very high25 Ų2549.8 Ų49.826%0.25827%0.267SS..  trans72.311.5-174.700000114.1A18 R91A18-G22 WeakPolarHBondContact O-CA 3.46Å; A18-G22 PolarHBondContact O-N 3.35Å; G22-R91 VanDerWaalsContact C-CZ 3.47Å; G22-R91 PolarHBondContact O-NE 3.22Å; G22-R91 PolarHBondContact O-NH2 3.01Å
23F94.1Very high94.5Very high5 Ų551.9 Ų51.92%0.02227%0.273CS..  trans-74.8141167.2-69.9-66000110.2A18 T21 Q27 I28 L31 V84 L87 A88 R91 F186 L187A18-F23 WeakPolarHBondContact CA-O 3.22Å; A18-F23 VanDerWaalsContact CB-O 3.28Å; A18-F23 WeakPolarHBondContact CB-O 3.42Å; T21-F23 PolarHBondContact O-N 3.41Å; T21-F23 VanDerWaalsContact OG1-CD2 3.29Å; T21-F23 WeakPolarHBondContact OG1-CD2 3.43Å; T21-F23 PolarHBondContact OG1-N 3.11Å; F23-Q27 HydrophobicContact CB-CB 4.1Å; F23-Q27 HydrophobicContact CD1-CB 4.15Å; F23-I28 HydrophobicContact CB-CD1 4.28Å; F23-I28 HydrophobicContact CB-CG1 3.77Å; F23-L31 HydrophobicContact CD1-CD1 4.45Å; F23-L31 HydrophobicContact CD2-CD1 4.12Å; F23-L31 HydrophobicContact CE1-CD1 4.35Å; F23-L31 HydrophobicContact CE2-CD1 4.04Å; F23-L31 HydrophobicContact CG-CD1 4.34Å; F23-L31 HydrophobicContact CZ-CD1 4.16Å; F23-V84 HydrophobicContact CD2-CG1 3.47Å; F23-V84 VanDerWaalsContact CD2-CG1 3.47Å; F23-V84 HydrophobicContact CE2-CG1 3.72Å; F23-L87 HydrophobicContact CE2-CB 4.39Å; F23-L87 HydrophobicContact CZ-CB 4.3Å; F23-A88 HydrophobicContact CE2-CB 3.93Å; F23-R91 HydrophobicContact CD1-CG 4.29Å; F23-R91 VanDerWaalsContact CE1-CD 3.42Å; F23-R91 HydrophobicContact CE1-CG 3.49Å; F23-R91 VanDerWaalsContact CE1-CG 3.49Å; F23-R91 HydrophobicContact CE2-CG 4.39Å; F23-R91 VanDerWaalsContact CZ-CD 3.47Å; F23-R91 HydrophobicContact CZ-CG 3.55Å; F23-F186 HydrophobicContact CE1-CE2 4.27Å; F23-F186 HydrophobicContact CE1-CZ 4.06Å; F23-F186 HydrophobicContact CZ-CE2 4.27Å; F23-F186 AromaticContact CZ-CZ 3.89Å; F23-F186 HydrophobicContact CZ-CZ 3.89Å; F23-L187 HydrophobicContact CD1-CD1 3.88Å; F23-L187 HydrophobicContact CE1-CD1 3.73Å
24S93Very high94.5Very high50 Ų5054.2 Ų54.235%0.3528%0.279SS..  trans-68.9156.1170.261.20000111.1K26 Q27 I28S24-K26 PolarHBondContact O-N 2.82Å; S24-K26 VanDerWaalsContact O-N 3.17Å; S24-Q27 WeakPolarHBondContact O-CA 3.5Å; S24-Q27 WeakPolarHBondContact O-CB 3.35Å; S24-Q27 PolarHBondContact O-N 3.17Å; S24-Q27 VanDerWaalsContact OG-CG 3.3Å; S24-Q27 WeakPolarHBondContact OG-CG 3.36Å; S24-Q27 PolarHBondContact OG-N 3.31Å; S24-Q27 PolarHBondContact OG-OE1 2.86Å; S24-I28 WeakPolarHBondContact O-CG1 3.42Å; S24-I28 PolarHBondContact O-N 2.85Å
25P94.4Very high94.4Very high66 Ų6654.4 Ų54.443%0.42928%0.28SS..Hα-helixtrans-50.3-43.1174.4-31.637.2000113.3V14 Q27 I28 Y29V14-P25 HydrophobicContact CG1-CB 3.69Å; V14-P25 HydrophobicContact CG1-CG 4.21Å; P25-Q27 VanDerWaalsContact C-N 3.31Å; P25-Q27 PolarHBondContact O-N 3.24Å; P25-I28 PolarHBondContact O-N 3.12Å; P25-I28 VanDerWaalsContact O-N 3.14Å; P25-Y29 WeakPolarHBondContact O-CD2 3.37Å; P25-Y29 PolarHBondContact O-N 3.33Å
26K93.1Very high94.3Very high143 Ų14351.1 Ų51.162%0.62227%0.266SS*.Hα-helixtrans-59.8-39.1176.3-174.7177.2-179.1178.30112.8S24 R30S24-K26 PolarHBondContact O-N 2.82Å; S24-K26 VanDerWaalsContact O-N 3.17Å; K26-R30 WeakPolarHBondContact O-CG 3.39Å; K26-R30 PolarHBondContact O-N 2.52Å
27Q94.2Very high94.2Very high59 Ų5949 Ų4928%0.27627%0.265SS..Hα-helixtrans-68.8-39.9176.1-78.4171.6-42.300111.5F23 S24 P25 R30 L31 L187F23-Q27 HydrophobicContact CB-CB 4.1Å; F23-Q27 HydrophobicContact CD1-CB 4.15Å; S24-Q27 WeakPolarHBondContact O-CA 3.5Å; S24-Q27 WeakPolarHBondContact O-CB 3.35Å; S24-Q27 PolarHBondContact O-N 3.17Å; S24-Q27 VanDerWaalsContact OG-CG 3.3Å; S24-Q27 WeakPolarHBondContact OG-CG 3.36Å; S24-Q27 PolarHBondContact OG-N 3.31Å; S24-Q27 PolarHBondContact OG-OE1 2.86Å; P25-Q27 VanDerWaalsContact C-N 3.31Å; P25-Q27 PolarHBondContact O-N 3.24Å; Q27-R30 WeakPolarHBondContact O-CB 3.48Å; Q27-R30 PolarHBondContact O-N 2.72Å; Q27-L31 WeakPolarHBondContact O-CG 3.33Å; Q27-L31 PolarHBondContact O-N 2.9Å; Q27-L187 HydrophobicContact CB-CD1 3.74Å; Q27-L187 HydrophobicContact CG-CB 4.32Å; Q27-L187 HydrophobicContact CG-CD1 3.73Å
28I96.1Very high94.2Very high0 Ų050 Ų500%027%0.27CS..Hα-helixtrans-63-46.4178.1-65.1165000110.5L9 V14 I17 A18 F23 S24 P25 R30 L31 Y32 F80L9-I28 HydrophobicContact CD1-CG2 4.3Å; V14-I28 HydrophobicContact CG1-CB 4.25Å; V14-I28 HydrophobicContact CG1-CD1 3.99Å; V14-I28 HydrophobicContact CG1-CG2 4.23Å; V14-I28 HydrophobicContact CG2-CG2 4.15Å; V14-I28 WeakPolarHBondContact O-CD1 3.36Å; I17-I28 HydrophobicContact CB-CD1 4Å; I17-I28 HydrophobicContact CG2-CD1 3.69Å; I17-I28 HydrophobicContact CG2-CG1 3.94Å; I17-I28 HydrophobicContact CG2-CG2 4.32Å; A18-I28 HydrophobicContact CB-CD1 3.77Å; F23-I28 HydrophobicContact CB-CD1 4.28Å; F23-I28 HydrophobicContact CB-CG1 3.77Å; S24-I28 WeakPolarHBondContact O-CG1 3.42Å; S24-I28 PolarHBondContact O-N 2.85Å; P25-I28 PolarHBondContact O-N 3.12Å; P25-I28 VanDerWaalsContact O-N 3.14Å; I28-R30 VanDerWaalsContact C-N 3.32Å; I28-R30 PolarHBondContact O-N 3.13Å; I28-L31 WeakPolarHBondContact O-CB 3.33Å; I28-L31 PolarHBondContact O-N 3.07Å; I28-L31 VanDerWaalsContact O-N 3.13Å; I28-Y32 PolarHBondContact O-N 3.43Å; I28-F80 HydrophobicContact CG2-CE1 3.97Å; I28-F80 HydrophobicContact CG2-CZ 3.93Å
29Y94.2Very high94.1Very high95 Ų9549.3 Ų49.337%0.37326%0.263SS..Hα-helixtrans-60.1-39.6174.5-72.6-64.7000112.9L9 V14 P25 Y32 N33L9-Y29 HydrophobicContact CB-CD1 4.49Å; L9-Y29 HydrophobicContact CB-CE1 4.03Å; V14-Y29 HydrophobicContact CG1-CE2 4.35Å; V14-Y29 HydrophobicContact CG2-CE1 4.11Å; V14-Y29 HydrophobicContact CG2-CE2 4.4Å; P25-Y29 WeakPolarHBondContact O-CD2 3.37Å; P25-Y29 PolarHBondContact O-N 3.33Å; Y29-Y32 PolarHBondContact O-N 3.25Å; Y29-N33 PolarHBondContact O-N 3.18Å; Y29-N33 PolarHBondContact O-ND2 3.32Å
30R94.1Very high93.9Very high98 Ų9853.4 Ų53.437%0.3726%0.263SS..Hα-helixtrans-63-42.4174.2-75.1176.4173.9-169.7-5.8111.8K26 Q27 I28 Y32 N33 R34 L187K26-R30 WeakPolarHBondContact O-CG 3.39Å; K26-R30 PolarHBondContact O-N 2.52Å; Q27-R30 WeakPolarHBondContact O-CB 3.48Å; Q27-R30 PolarHBondContact O-N 2.72Å; I28-R30 VanDerWaalsContact C-N 3.32Å; I28-R30 PolarHBondContact O-N 3.13Å; R30-Y32 VanDerWaalsContact C-N 3.31Å; R30-N33 PolarHBondContact O-N 3.49Å; R30-R34 WeakPolarHBondContact O-CG 3.43Å; R30-R34 PolarHBondContact O-N 2.98Å; R30-R34 VanDerWaalsContact O-N 3.17Å; R30-L187 HydrophobicContact CB-CD2 4.25Å; R30-L187 PolarHBondContact NH1-O 3.37Å
31L95.1Very high93.6Very high2 Ų255.8 Ų55.81%0.0128%0.28CS..Hα-helixtrans-65-37176.5-74178.3000112.1F23 Q27 I28 R34 Y35 F80 V84 L87 F186 L187F23-L31 HydrophobicContact CD1-CD1 4.45Å; F23-L31 HydrophobicContact CD2-CD1 4.12Å; F23-L31 HydrophobicContact CE1-CD1 4.35Å; F23-L31 HydrophobicContact CE2-CD1 4.04Å; F23-L31 HydrophobicContact CG-CD1 4.34Å; F23-L31 HydrophobicContact CZ-CD1 4.16Å; Q27-L31 WeakPolarHBondContact O-CG 3.33Å; Q27-L31 PolarHBondContact O-N 2.9Å; I28-L31 WeakPolarHBondContact O-CB 3.33Å; I28-L31 PolarHBondContact O-N 3.07Å; I28-L31 VanDerWaalsContact O-N 3.13Å; L31-R34 WeakPolarHBondContact O-CB 3.49Å; L31-R34 PolarHBondContact O-N 3.48Å; L31-Y35 WeakPolarHBondContact O-CB 3.37Å; L31-Y35 PolarHBondContact O-N 3.44Å; L31-F80 HydrophobicContact CB-CE2 4.23Å; L31-F80 HydrophobicContact CB-CZ 4.46Å; L31-V84 HydrophobicContact CB-CG2 4.42Å; L31-V84 HydrophobicContact CD1-CG1 3.97Å; L31-V84 HydrophobicContact CD1-CG2 4.24Å; L31-L87 HydrophobicContact CD1-CD1 4.19Å; L31-L87 HydrophobicContact CD2-CD1 3.58Å; L31-L87 HydrophobicContact CG-CD1 4.47Å; L31-F186 HydrophobicContact CD2-CD2 4.27Å; L31-F186 HydrophobicContact CD2-CE2 3.98Å; L31-L187 HydrophobicContact CD1-CD1 4.21Å; L31-L187 HydrophobicContact CD2-CD1 4.36Å; L31-L187 HydrophobicContact CD2-CD2 3.81Å; L31-L187 HydrophobicContact CG-CD1 4.15Å; L31-L187 HydrophobicContact CG-CD2 4.04Å
32Y95.3Very high93.3Very high39 Ų3961.3 Ų61.315%0.15331%0.31CS..Hα-helixtrans-64.8-43.5176.1-171.4-113.2000112.4N7 L9 I28 Y29 R30 R34 Y35 L36 F80N7-Y32 VanDerWaalsContact O-CE1 3.29Å; N7-Y32 WeakPolarHBondContact O-CE1 3.48Å; L9-Y32 HydrophobicContact CD1-CD1 3.68Å; L9-Y32 HydrophobicContact CD1-CD2 3.33Å; L9-Y32 HydrophobicContact CD1-CE1 4.29Å; L9-Y32 HydrophobicContact CD1-CE2 4.01Å; L9-Y32 HydrophobicContact CD1-CG 3.13Å; L9-Y32 HydrophobicContact CG-CD1 4.22Å; L9-Y32 HydrophobicContact CG-CD2 3.81Å; L9-Y32 HydrophobicContact CG-CE1 4.34Å; L9-Y32 HydrophobicContact CG-CE2 3.95Å; L9-Y32 HydrophobicContact CG-CG 3.93Å; I28-Y32 PolarHBondContact O-N 3.43Å; Y29-Y32 PolarHBondContact O-N 3.25Å; R30-Y32 VanDerWaalsContact C-N 3.31Å; Y32-R34 PolarHBondContact O-N 2.98Å; Y32-Y35 HydrophobicContact CD2-CD1 4.49Å; Y32-Y35 WeakPolarHBondContact O-CB 3.28Å; Y32-Y35 PolarHBondContact O-N 3.33Å; Y32-Y35 VanDerWaalsContact O-N 3.12Å; Y32-L36 HydrophobicContact CD1-CD1 3.88Å; Y32-L36 HydrophobicContact CD1-CG 4.27Å; Y32-L36 HydrophobicContact CE1-CD1 3.46Å; Y32-L36 VanDerWaalsContact CE1-CD1 3.46Å; Y32-L36 HydrophobicContact CE1-CD2 4.39Å; Y32-L36 HydrophobicContact CE1-CG 3.98Å; Y32-L36 HydrophobicContact CE2-CD2 4.4Å; Y32-L36 HydrophobicContact CE2-CG 4.46Å; Y32-L36 WeakPolarHBondContact O-CG 3.28Å; Y32-L36 PolarHBondContact O-N 2.79Å; Y32-F80 AromaticContact CD2-CD1 3.87Å; Y32-F80 HydrophobicContact CD2-CD1 3.87Å; Y32-F80 AromaticContact CD2-CD2 3.75Å; Y32-F80 HydrophobicContact CD2-CD2 3.75Å; Y32-F80 AromaticContact CD2-CE1 3.95Å; Y32-F80 HydrophobicContact CD2-CE1 3.95Å; Y32-F80 AromaticContact CD2-CE2 3.83Å; Y32-F80 HydrophobicContact CD2-CE2 3.83Å; Y32-F80 AromaticContact CD2-CG 3.76Å; Y32-F80 HydrophobicContact CD2-CG 3.76Å; Y32-F80 AromaticContact CD2-CZ 3.91Å; Y32-F80 HydrophobicContact CD2-CZ 3.91Å; Y32-F80 HydrophobicContact CE2-CD1 4.42Å; Y32-F80 HydrophobicContact CE2-CG 4.28Å; Y32-F80 HydrophobicContact CG-CE2 4.31Å; Y32-F80 HydrophobicContact CG-CZ 4.26Å
33N93.3Very high93.3Very high104 Ų10461.9 Ų61.956%0.55631%0.312SS*.Hα-helixtrans-60.4-37.5174.1-69.1-23.3000111.9Y29 R30 A37Y29-N33 PolarHBondContact O-N 3.18Å; Y29-N33 PolarHBondContact O-ND2 3.32Å; R30-N33 PolarHBondContact O-N 3.49Å; N33-A37 WeakPolarHBondContact O-CB 3.37Å; N33-A37 PolarHBondContact O-N 2.96Å
34R92.9Very high93.2Very high116 Ų11664 Ų6444%0.43834%0.336SS..Hα-helixtrans-68.5-40.2174.1-70.4-177.7-179.6-179.34.5112.3R30 L31 Y32 A37 L38 F186R30-R34 WeakPolarHBondContact O-CG 3.43Å; R30-R34 PolarHBondContact O-N 2.98Å; R30-R34 VanDerWaalsContact O-N 3.17Å; L31-R34 WeakPolarHBondContact O-CB 3.49Å; L31-R34 PolarHBondContact O-N 3.48Å; Y32-R34 PolarHBondContact O-N 2.98Å; R34-A37 WeakPolarHBondContact O-CB 3.39Å; R34-A37 PolarHBondContact O-N 3.24Å; R34-L38 WeakPolarHBondContact O-CG 3.49Å; R34-L38 PolarHBondContact O-N 3.44Å; R34-L38 VanDerWaalsContact O-N 3.11Å; R34-F186 PolarHBondContact NH1-O 2.9Å; R34-F186 PolarHBondContact NH2-O 2.83Å
35Y95Very high93.3Very high6 Ų664.9 Ų64.92%0.02433%0.332CS..Hα-helixtrans-59.7-49.8175.8176.6-92.6000111.3L31 Y32 A37 L38 D39 G44 Y45 L46 L78 N79 F80 F83L31-Y35 WeakPolarHBondContact O-CB 3.37Å; L31-Y35 PolarHBondContact O-N 3.44Å; Y32-Y35 HydrophobicContact CD2-CD1 4.49Å; Y32-Y35 WeakPolarHBondContact O-CB 3.28Å; Y32-Y35 PolarHBondContact O-N 3.33Å; Y32-Y35 VanDerWaalsContact O-N 3.12Å; Y35-A37 VanDerWaalsContact C-N 3.27Å; Y35-A37 PolarHBondContact O-N 3.25Å; Y35-L38 PolarHBondContact O-N 3.5Å; Y35-L38 VanDerWaalsContact O-N 3.09Å; Y35-D39 PolarHBondContact O-N 3.37Å; Y35-G44 PolarHBondContact OH-O 3.28Å; Y35-Y45 WeakPolarHBondContact OH-CA 3.26Å; Y35-L46 HydrophobicContact CD2-CD1 3.51Å; Y35-L46 HydrophobicContact CD2-CG 3.84Å; Y35-L46 HydrophobicContact CE2-CD1 3.64Å; Y35-L46 HydrophobicContact CE2-CD2 4.42Å; Y35-L46 HydrophobicContact CE2-CG 3.51Å; Y35-L46 HydrophobicContact CG-CD1 4.49Å; Y35-L78 PolarHBondContact OH-O 3.14Å; Y35-N79 WeakPolarHBondContact OH-CA 3.41Å; Y35-F80 HydrophobicContact CD1-CB 4.19Å; Y35-F80 HydrophobicContact CD1-CD2 4.08Å; Y35-F80 HydrophobicContact CD2-CB 4.39Å; Y35-F80 AromaticContact CD2-CD2 3.99Å; Y35-F80 HydrophobicContact CD2-CD2 3.99Å; Y35-F80 HydrophobicContact CE1-CB 4Å; Y35-F80 HydrophobicContact CE2-CB 4.19Å; Y35-F80 HydrophobicContact CG-CB 4.37Å; Y35-F80 AromaticContact CG-CD2 3.69Å; Y35-F80 HydrophobicContact CG-CD2 3.69Å; Y35-F80 HydrophobicContact CG-CG 4.48Å; Y35-F80 PolarHBondContact OH-N 2.9Å; Y35-F83 HydrophobicContact CD2-CB 4.1Å; Y35-F83 AromaticContact CD2-CD1 3.87Å; Y35-F83 HydrophobicContact CD2-CD1 3.87Å; Y35-F83 HydrophobicContact CD2-CE1 4.45Å; Y35-F83 AromaticContact CD2-CG 3.99Å; Y35-F83 HydrophobicContact CD2-CG 3.99Å; Y35-F83 HydrophobicContact CE2-CB 4.24Å
36L93.8Very high93.4Very high45 Ų4561.7 Ų61.724%0.23631%0.311CS..Hα-helixtrans-62.5-33.7174.6-66.1-178.9000112.6N7 Y32 L38 D39N7-L36 HydrophobicContact CB-CD1 4.07Å; Y32-L36 HydrophobicContact CD1-CD1 3.88Å; Y32-L36 HydrophobicContact CD1-CG 4.27Å; Y32-L36 HydrophobicContact CE1-CD1 3.46Å; Y32-L36 VanDerWaalsContact CE1-CD1 3.46Å; Y32-L36 HydrophobicContact CE1-CD2 4.39Å; Y32-L36 HydrophobicContact CE1-CG 3.98Å; Y32-L36 HydrophobicContact CE2-CD2 4.4Å; Y32-L36 HydrophobicContact CE2-CG 4.46Å; Y32-L36 WeakPolarHBondContact O-CG 3.28Å; Y32-L36 PolarHBondContact O-N 2.79Å; L36-L38 PolarHBondContact O-N 3.15Å; L36-D39 PolarHBondContact O-N 3.22Å
37A93.5Very high93.5Very high52 Ų5258.8 Ų58.843%0.4330%0.296SS..Hα-helixtrans-67.7-26.5176.400000112.9N33 R34 Y35 K40N33-A37 WeakPolarHBondContact O-CB 3.37Å; N33-A37 PolarHBondContact O-N 2.96Å; R34-A37 WeakPolarHBondContact O-CB 3.39Å; R34-A37 PolarHBondContact O-N 3.24Å; Y35-A37 VanDerWaalsContact C-N 3.27Å; Y35-A37 PolarHBondContact O-N 3.25Å; A37-K40 WeakPolarHBondContact O-CD 3.17Å; A37-K40 WeakPolarHBondContact O-CE 3.41Å; A37-K40 PolarHBondContact O-NZ 3.25Å
38L94.6Very high93.5Very high22 Ų2260.8 Ų60.812%0.11530%0.301CS..Hα-helixtrans-84.2-36.3175.2-67.6171.9000112R34 Y35 L36 K40 L46 I54R34-L38 WeakPolarHBondContact O-CG 3.49Å; R34-L38 PolarHBondContact O-N 3.44Å; R34-L38 VanDerWaalsContact O-N 3.11Å; Y35-L38 PolarHBondContact O-N 3.5Å; Y35-L38 VanDerWaalsContact O-N 3.09Å; L36-L38 PolarHBondContact O-N 3.15Å; L38-K40 PolarHBondContact O-N 3.17Å; L38-L46 HydrophobicContact CB-CD1 4.23Å; L38-L46 HydrophobicContact CB-CD2 3.57Å; L38-L46 HydrophobicContact CD1-CD1 4.13Å; L38-I54 HydrophobicContact CD1-CD1 4.01Å; L38-I54 HydrophobicContact CD1-CG1 4.4Å; L38-I54 HydrophobicContact CD2-CD1 4.18Å; L38-I54 HydrophobicContact CD2-CG1 3.66Å
39D94.1Very high93.2Very high7 Ų765.4 Ų65.44%0.03732%0.323CS..  trans-75.371.1175.8-17710.8000111.7Y35 L36 T41 N42 A43 G44 L46Y35-D39 PolarHBondContact O-N 3.37Å; L36-D39 PolarHBondContact O-N 3.22Å; D39-T41 PolarHBondContact O-N 3.14Å; D39-T41 PolarHBondContact OD1-OG1 3.23Å; D39-N42 PolarHBondContact O-N 2.72Å; D39-N42 VanDerWaalsContact O-N 3.08Å; D39-N42 WeakPolarHBondContact OD1-CA 3.46Å; D39-N42 PolarHBondContact OD1-N 2.95Å; D39-N42 WeakPolarHBondContact OD2-CA 3.4Å; D39-A43 VanDerWaalsContact CG-N 3.32Å; D39-A43 PolarHBondContact OD1-N 3.02Å; D39-A43 PolarHBondContact OD2-N 3.32Å; D39-G44 PolarHBondContact OD2-N 3.02Å; D39-L46 HydrophobicContact CB-CD2 3.81Å
40K88.4Confident93.2Very high150 Ų15061.1 Ų61.165%0.65231%0.306SS*.THydrogen-bonded Turntrans-61.7-26.9-179.4-63.6-55.2-169.9-162.80113.1A37 L38 N42 L53A37-K40 WeakPolarHBondContact O-CD 3.17Å; A37-K40 WeakPolarHBondContact O-CE 3.41Å; A37-K40 PolarHBondContact O-NZ 3.25Å; L38-K40 PolarHBondContact O-N 3.17Å; K40-N42 VanDerWaalsContact C-N 3.31Å; K40-L53 HydrophobicContact CG-CD1 3.93Å
41T88.9Confident93.2Very high88 Ų8856.7 Ų56.754%0.5429%0.289SS..THydrogen-bonded Turntrans-83.8-7.9179.651.70000113.3D39 A43D39-T41 PolarHBondContact O-N 3.14Å; D39-T41 PolarHBondContact OD1-OG1 3.23Å; T41-A43 PolarHBondContact O-N 3.37Å
42N89Confident92.8Very high116 Ų11661.4 Ų61.462%0.6231%0.314SS*.  trans51.542.3-172.6-164.557.1000111.7D39 K40 G44D39-N42 PolarHBondContact O-N 2.72Å; D39-N42 VanDerWaalsContact O-N 3.08Å; D39-N42 WeakPolarHBondContact OD1-CA 3.46Å; D39-N42 PolarHBondContact OD1-N 2.95Å; D39-N42 WeakPolarHBondContact OD2-CA 3.4Å; K40-N42 VanDerWaalsContact C-N 3.31Å; N42-G44 VanDerWaalsContact C-N 3.35Å
43A91.4Very high92.4Very high37 Ų3764.1 Ų64.131%0.30633%0.331SS..  trans-80.1-18.1-177.900000112.6D39 T41 Y45D39-A43 VanDerWaalsContact CG-N 3.32Å; D39-A43 PolarHBondContact OD1-N 3.02Å; D39-A43 PolarHBondContact OD2-N 3.32Å; T41-A43 PolarHBondContact O-N 3.37Å; A43-Y45 VanDerWaalsContact C-N 3.31Å; A43-Y45 HydrophobicContact CB-CD2 4.18Å; A43-Y45 HydrophobicContact CB-CE1 4.17Å; A43-Y45 HydrophobicContact CB-CE2 3.65Å; A43-Y45 WeakPolarHBondContact O-CE1 3.4Å
44G92.2Very high92.4Very high50 Ų5061.2 Ų61.252%0.51532%0.315SS..SBendtrans83.94.5-175.500000114.1Y35 D39 N42Y35-G44 PolarHBondContact OH-O 3.28Å; D39-G44 PolarHBondContact OD2-N 3.02Å; N42-G44 VanDerWaalsContact C-N 3.35Å
45Y95.3Very high92.2Very high67 Ų6759.7 Ų59.726%0.26332%0.32SS..SBendtrans-147.2151.3174.850.5-102.6000109.5Y35 A43 R47 E77Y35-Y45 WeakPolarHBondContact OH-CA 3.26Å; A43-Y45 VanDerWaalsContact C-N 3.31Å; A43-Y45 HydrophobicContact CB-CD2 4.18Å; A43-Y45 HydrophobicContact CB-CE1 4.17Å; A43-Y45 HydrophobicContact CB-CE2 3.65Å; A43-Y45 WeakPolarHBondContact O-CE1 3.4Å; Y45-R47 HydrophobicContact CD2-CG 4.3Å; Y45-R47 HydrophobicContact CE2-CG 4.37Å; Y45-R47 VanDerWaalsContact CZ-NH2 3.3Å; Y45-R47 PolarHBondContact OH-NH2 3.18Å; Y45-E77 HydrophobicContact CD2-CB 3.97Å; Y45-E77 HydrophobicContact CD2-CG 3.73Å; Y45-E77 HydrophobicContact CE2-CG 4.02Å; Y45-E77 WeakPolarHBondContact CE2-OE1 3.41Å; Y45-E77 HydrophobicContact CG-CB 3.98Å; Y45-E77 HydrophobicContact CG-CG 4.15Å
46L96.4Very high91.9Very high0 Ų065.9 Ų65.90%035%0.349CS..BIsolated β-bridgetrans-90.8152.9170.9-61.2176.6000109.8Y35 L38 D39 D50 F51 F71 E77 L78 F83Y35-L46 HydrophobicContact CD2-CD1 3.51Å; Y35-L46 HydrophobicContact CD2-CG 3.84Å; Y35-L46 HydrophobicContact CE2-CD1 3.64Å; Y35-L46 HydrophobicContact CE2-CD2 4.42Å; Y35-L46 HydrophobicContact CE2-CG 3.51Å; Y35-L46 HydrophobicContact CG-CD1 4.49Å; L38-L46 HydrophobicContact CB-CD1 4.23Å; L38-L46 HydrophobicContact CB-CD2 3.57Å; L38-L46 HydrophobicContact CD1-CD1 4.13Å; D39-L46 HydrophobicContact CB-CD2 3.81Å; L46-D50 WeakPolarHBondContact CA-OD2 3.48Å; L46-D50 HydrophobicContact CD2-CB 4.06Å; L46-F51 HydrophobicContact CB-CE2 4.14Å; L46-F51 HydrophobicContact CD1-CE2 3.8Å; L46-F51 HydrophobicContact CD1-CZ 4.47Å; L46-F71 HydrophobicContact CB-CZ 4.34Å; L46-F71 VanDerWaalsContact O-CE1 3.3Å; L46-F71 WeakPolarHBondContact O-CE1 3.27Å; L46-E77 WeakPolarHBondContact O-CA 3.38Å; L46-L78 HydrophobicContact CB-CB 4.38Å; L46-L78 PolarHBondContact N-O 3.33Å; L46-L78 PolarHBondContact O-N 3.1Å; L46-F83 HydrophobicContact CD1-CD2 4.16Å; L46-F83 HydrophobicContact CD1-CE2 4.32Å
47R95.4Very high91.8Very high82 Ų8264.9 Ų64.931%0.30934%0.344SS..  trans-121168.1169-68.9-176.5175.2118.9-1.2109.6Y45 H49 D50 F71 E77Y45-R47 HydrophobicContact CD2-CG 4.3Å; Y45-R47 HydrophobicContact CE2-CG 4.37Å; Y45-R47 VanDerWaalsContact CZ-NH2 3.3Å; Y45-R47 PolarHBondContact OH-NH2 3.18Å; R47-H49 PolarHBondContact O-N 3.21Å; R47-H49 VanDerWaalsContact O-N 3.15Å; R47-D50 PolarHBondContact N-OD2 3.45Å; R47-D50 WeakPolarHBondContact O-CB 3.44Å; R47-D50 PolarHBondContact O-N 3.41Å; R47-F71 WeakPolarHBondContact O-CZ 3.48Å; R47-E77 HydrophobicContact CG-CG 4.44Å; R47-E77 IonicContact CZ-OE1 3.97Å; R47-E77 IonicContact NE-OE1 3.2Å; R47-E77 IonicContact NH2-OE1 2.88Å; R47-E77 PolarHBondContact NH2-OE1 2.96Å
48R93.8Very high91.5Very high101 Ų10165.5 Ų65.538%0.38135%0.349SS..Hα-helixtrans-52.7-38.9-178.2-65.9177.557.977.93.9113.7D50 F51 V67 N68 F71R48-D50 VanDerWaalsContact C-N 3.28Å; R48-D50 PolarHBondContact O-N 3.44Å; R48-F51 WeakPolarHBondContact O-CB 3.49Å; R48-F51 PolarHBondContact O-N 2.93Å; R48-V67 HydrophobicContact CB-CG1 4.11Å; R48-V67 HydrophobicContact CG-CG1 4.13Å; R48-N68 PolarHBondContact NH1-OD1 2.99Å; R48-N68 PolarHBondContact NH2-OD1 3.41Å; R48-F71 HydrophobicContact CB-CE2 4.5Å; R48-F71 HydrophobicContact CG-CB 4.44Å; R48-F71 HydrophobicContact CG-CD1 4.35Å; R48-F71 HydrophobicContact CG-CD2 3.81Å; R48-F71 HydrophobicContact CG-CE2 4.16Å; R48-F71 HydrophobicContact CG-CG 3.93Å
49H91.3Very high91.3Very high97 Ų9771.3 Ų71.345%0.44938%0.379SS..Hα-helixtrans-68.8-26.2-17961.8-97000113R47 F51 L52R47-H49 PolarHBondContact O-N 3.21Å; R47-H49 VanDerWaalsContact O-N 3.15Å; H49-F51 PolarHBondContact O-N 3.42Å; H49-L52 WeakPolarHBondContact O-CB 3.24Å; H49-L52 PolarHBondContact O-N 3.49Å; H49-L52 VanDerWaalsContact O-N 3.15Å
50D94.4Very high91.1Very high5 Ų574 Ų743%0.02739%0.393CS..Hα-helixtrans-66.2-30.3175.6-57.7-47.2000111.1L46 R47 R48 L52 L53L46-D50 WeakPolarHBondContact CA-OD2 3.48Å; L46-D50 HydrophobicContact CD2-CB 4.06Å; R47-D50 PolarHBondContact N-OD2 3.45Å; R47-D50 WeakPolarHBondContact O-CB 3.44Å; R47-D50 PolarHBondContact O-N 3.41Å; R48-D50 VanDerWaalsContact C-N 3.28Å; R48-D50 PolarHBondContact O-N 3.44Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.98Å; D50-L53 VanDerWaalsContact O-CB 3.28Å; D50-L53 WeakPolarHBondContact O-CB 3.3Å; D50-L53 PolarHBondContact O-N 3.14Å
51F93.9Very high91.1Very high4 Ų470.6 Ų70.62%0.01839%0.386CS..Hα-helixtrans-72.1-25.4175.7-83.4-117.3000112.8L46 R48 H49 L53 I54 L57 V67 F70 F71 L78 F83L46-F51 HydrophobicContact CB-CE2 4.14Å; L46-F51 HydrophobicContact CD1-CE2 3.8Å; L46-F51 HydrophobicContact CD1-CZ 4.47Å; R48-F51 WeakPolarHBondContact O-CB 3.49Å; R48-F51 PolarHBondContact O-N 2.93Å; H49-F51 PolarHBondContact O-N 3.42Å; F51-L53 PolarHBondContact O-N 2.98Å; F51-I54 HydrophobicContact CD1-CD1 4.2Å; F51-I54 HydrophobicContact CG-CD1 4.44Å; F51-I54 WeakPolarHBondContact O-CB 3.43Å; F51-I54 PolarHBondContact O-N 2.88Å; F51-I54 VanDerWaalsContact O-N 3.1Å; F51-L57 HydrophobicContact CB-CD2 4.07Å; F51-L57 HydrophobicContact CD1-CD2 3.77Å; F51-L57 HydrophobicContact CG-CD2 4.43Å; F51-V67 HydrophobicContact CB-CG1 4.24Å; F51-V67 HydrophobicContact CB-CG2 3.73Å; F51-V67 HydrophobicContact CD1-CG2 4.09Å; F51-V67 HydrophobicContact CG-CG2 4.25Å; F51-F70 HydrophobicContact CE1-CB 4.17Å; F51-F70 AromaticContact CE1-CD1 3.54Å; F51-F70 HydrophobicContact CE1-CD1 3.54Å; F51-F70 HydrophobicContact CE1-CE1 4Å; F51-F70 AromaticContact CE1-CG 3.85Å; F51-F70 HydrophobicContact CE1-CG 3.85Å; F51-F70 HydrophobicContact CZ-CB 4.35Å; F51-F70 AromaticContact CZ-CD1 3.59Å; F51-F70 HydrophobicContact CZ-CD1 3.59Å; F51-F70 HydrophobicContact CZ-CE1 4.2Å; F51-F70 HydrophobicContact CZ-CG 4.2Å; F51-F71 AromaticContact CD2-CE2 3.5Å; F51-F71 HydrophobicContact CD2-CE2 3.5Å; F51-F71 VanDerWaalsContact CD2-CE2 3.5Å; F51-F71 AromaticContact CD2-CZ 3.73Å; F51-F71 HydrophobicContact CD2-CZ 3.73Å; F51-F71 AromaticContact CE2-CE2 3.53Å; F51-F71 HydrophobicContact CE2-CE2 3.53Å; F51-F71 AromaticContact CE2-CZ 3.6Å; F51-F71 HydrophobicContact CE2-CZ 3.6Å; F51-F71 HydrophobicContact CG-CE2 4.06Å; F51-F71 HydrophobicContact CZ-CE2 4.12Å; F51-F71 HydrophobicContact CZ-CZ 4.47Å; F51-L78 HydrophobicContact CE2-CD2 4.12Å; F51-L78 HydrophobicContact CZ-CD2 3.85Å; F51-F83 HydrophobicContact CE1-CE2 4.42Å; F51-F83 AromaticContact CZ-CD2 3.92Å; F51-F83 HydrophobicContact CZ-CD2 3.92Å; F51-F83 AromaticContact CZ-CE2 3.83Å; F51-F83 HydrophobicContact CZ-CE2 3.83Å
52L85.4Confident91.2Very high101 Ų10168.3 Ų68.353%0.52937%0.371SS..THydrogen-bonded Turntrans-67.7-16.1174.1-58.4177.1000112.1H49 D50 I54H49-L52 WeakPolarHBondContact O-CB 3.24Å; H49-L52 PolarHBondContact O-N 3.49Å; H49-L52 VanDerWaalsContact O-N 3.15Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.98Å; L52-I54 PolarHBondContact O-N 3.24Å
53L88.3Confident91.4Very high96 Ų9663 Ų6350%0.50334%0.344SS..THydrogen-bonded Turntrans-75.2-10.5173.7-55.1179.2000113K40 D50 F51 P55K40-L53 HydrophobicContact CG-CD1 3.93Å; D50-L53 VanDerWaalsContact O-CB 3.28Å; D50-L53 WeakPolarHBondContact O-CB 3.3Å; D50-L53 PolarHBondContact O-N 3.14Å; F51-L53 PolarHBondContact O-N 2.98Å; L53-P55 WeakPolarHBondContact O-CD 3.29Å
54I91.9Very high91.3Very high43 Ų4365.6 Ų65.622%0.22135%0.352CS..  trans-84.9106.5177.6-56.6171.2000108L38 F51 L52 E56 L57 A58L38-I54 HydrophobicContact CD1-CD1 4.01Å; L38-I54 HydrophobicContact CD1-CG1 4.4Å; L38-I54 HydrophobicContact CD2-CD1 4.18Å; L38-I54 HydrophobicContact CD2-CG1 3.66Å; F51-I54 HydrophobicContact CD1-CD1 4.2Å; F51-I54 HydrophobicContact CG-CD1 4.44Å; F51-I54 WeakPolarHBondContact O-CB 3.43Å; F51-I54 PolarHBondContact O-N 2.88Å; F51-I54 VanDerWaalsContact O-N 3.1Å; L52-I54 PolarHBondContact O-N 3.24Å; I54-E56 VanDerWaalsContact C-N 3.3Å; I54-E56 PolarHBondContact O-N 3.26Å; I54-L57 HydrophobicContact CB-CB 3.87Å; I54-L57 HydrophobicContact CD1-CD2 4.35Å; I54-L57 HydrophobicContact CG2-CB 3.87Å; I54-L57 PolarHBondContact O-N 2.61Å; I54-A58 PolarHBondContact O-N 3.31Å
55P89.7Confident91.3Very high85 Ų8565 Ų6555%0.55233%0.334SS*.Hα-helixtrans-60.2-40.1-172.9-24.336.1000112.8L53 L57 A58 I59L53-P55 WeakPolarHBondContact O-CD 3.29Å; P55-L57 PolarHBondContact O-N 3.4Å; P55-A58 PolarHBondContact O-N 3.23Å; P55-I59 WeakPolarHBondContact O-CG1 3.36Å; P55-I59 PolarHBondContact O-N 3.03Å; P55-I59 VanDerWaalsContact O-N 3.14Å
56E89.5Confident91.2Very high135 Ų13563 Ų6363%0.63133%0.328SS*.Hα-helixtrans-64.5-29.3179-60.283.8173.900112.2I54 N60I54-E56 VanDerWaalsContact C-N 3.3Å; I54-E56 PolarHBondContact O-N 3.26Å; E56-N60 WeakPolarHBondContact O-CB 3.44Å
57L90.8Very high91.1Very high24 Ų2463.1 Ų63.113%0.12633%0.329CS..Hα-helixtrans-81.9-36.8176.2-166.262.5000111.3F51 I54 P55 I59 N60 I66 V67F51-L57 HydrophobicContact CB-CD2 4.07Å; F51-L57 HydrophobicContact CD1-CD2 3.77Å; F51-L57 HydrophobicContact CG-CD2 4.43Å; I54-L57 HydrophobicContact CB-CB 3.87Å; I54-L57 HydrophobicContact CD1-CD2 4.35Å; I54-L57 HydrophobicContact CG2-CB 3.87Å; I54-L57 PolarHBondContact O-N 2.61Å; P55-L57 PolarHBondContact O-N 3.4Å; L57-I59 VanDerWaalsContact C-N 3.27Å; L57-I59 PolarHBondContact O-N 3.36Å; L57-N60 WeakPolarHBondContact O-CB 3.29Å; L57-N60 PolarHBondContact O-N 2.96Å; L57-N60 VanDerWaalsContact O-N 3.11Å; L57-I66 HydrophobicContact CD1-CB 4.13Å; L57-I66 HydrophobicContact CD1-CD1 4.01Å; L57-I66 HydrophobicContact CD1-CG2 4.08Å; L57-V67 HydrophobicContact CD2-CG2 3.56Å; L57-V67 HydrophobicContact CG-CG2 4.34Å
58A88Confident90.9Very high65 Ų6561.9 Ų61.954%0.53733%0.328SS..Hα-helixtrans-63.2-31.917800000112.9I54 P55I54-A58 PolarHBondContact O-N 3.31Å; P55-A58 PolarHBondContact O-N 3.23Å
59I90.1Very high90.9Very high144 Ų14457.3 Ų57.374%0.73831%0.311SS*.THydrogen-bonded Turntrans-90.8-5.5175.567.8177.6000113.5P55 L57P55-I59 WeakPolarHBondContact O-CG1 3.36Å; P55-I59 PolarHBondContact O-N 3.03Å; P55-I59 VanDerWaalsContact O-N 3.14Å; L57-I59 VanDerWaalsContact C-N 3.27Å; L57-I59 PolarHBondContact O-N 3.36Å
60N90Very high91Very high63 Ų6353.1 Ų53.134%0.33729%0.292SS..  trans-78.4125.4-179.1-169.9-40.7000109.6E56 L57 L62 G63E56-N60 WeakPolarHBondContact O-CB 3.44Å; L57-N60 WeakPolarHBondContact O-CB 3.29Å; L57-N60 PolarHBondContact O-N 2.96Å; L57-N60 VanDerWaalsContact O-N 3.11Å; N60-L62 PolarHBondContact O-N 3.03Å; N60-L62 VanDerWaalsContact O-N 3.09Å; N60-L62 PolarHBondContact OD1-N 3Å; N60-G63 WeakPolarHBondContact O-CA 3.4Å; N60-G63 PolarHBondContact O-N 3.35Å
61P88.6Confident91Very high79 Ų7953.6 Ų53.651%0.51329%0.293SS..THydrogen-bonded Turntrans-58.6-25177.1-23.833.3000113.8M134P61-M134 VanDerWaalsContact CB-O 3.27Å; P61-M134 WeakPolarHBondContact CB-O 3.36Å; P61-M134 WeakPolarHBondContact O-CE 3.36Å
62L91Very high90.8Very high41 Ų4155.2 Ų55.222%0.21530%0.301CS..THydrogen-bonded Turntrans-97.57.9176.2-38.6-176.4000112.3N60 D64 R65 I66 M114 M131 M134 M135N60-L62 PolarHBondContact O-N 3.03Å; N60-L62 VanDerWaalsContact O-N 3.09Å; N60-L62 PolarHBondContact OD1-N 3Å; L62-D64 PolarHBondContact O-N 3.1Å; L62-R65 WeakPolarHBondContact O-CA 3.33Å; L62-R65 WeakPolarHBondContact O-CB 3.47Å; L62-R65 PolarHBondContact O-N 2.9Å; L62-I66 HydrophobicContact CB-CD1 4.3Å; L62-I66 HydrophobicContact CB-CG1 4.48Å; L62-I66 WeakPolarHBondContact O-CG1 3.35Å; L62-I66 PolarHBondContact O-N 2.73Å; L62-M114 HydrophobicContact CB-CE 4.09Å; L62-M114 HydrophobicContact CD1-CE 4.21Å; L62-M131 HydrophobicContact CD2-CE 3.23Å; L62-M131 HydrophobicContact CG-CE 4.34Å; L62-M134 HydrophobicContact CD2-CB 4.3Å; L62-M135 HydrophobicContact CD1-CG 4.47Å; L62-M135 HydrophobicContact CD2-CG 3.53Å
63G91.7Very high90.9Very high5 Ų556.2 Ų56.25%0.05231%0.306CS..Hα-helixtrans-52.3-52.9-173.600000112.2N60 R65 I66 V67N60-G63 WeakPolarHBondContact O-CA 3.4Å; N60-G63 PolarHBondContact O-N 3.35Å; G63-R65 VanDerWaalsContact C-N 3.29Å; G63-R65 PolarHBondContact O-N 2.9Å; G63-I66 PolarHBondContact O-N 2.86Å; G63-V67 WeakPolarHBondContact O-CG2 3.33Å; G63-V67 PolarHBondContact O-N 3.43Å
64D90.6Very high90.9Very high90 Ų9052 Ų5248%0.48129%0.285SS..Hα-helixtrans-60.9-35.5177.6-83-13.1000113.2L62 V67 N68L62-D64 PolarHBondContact O-N 3.1Å; D64-V67 PolarHBondContact O-N 2.86Å; D64-N68 WeakPolarHBondContact O-CB 3.47Å; D64-N68 PolarHBondContact O-N 3.43Å; D64-N68 PolarHBondContact O-OD1 3.15Å; D64-N68 VanDerWaalsContact O-OD1 3.13Å
65R91.7Very high90.7Very high38 Ų3858.9 Ų58.914%0.14332%0.317CS..Hα-helixtrans-67.5-43.5176.6-60-59.1-168.9-152.32.1111.7L62 G63 V67 N68 E69 M114 L117 M131 M134L62-R65 WeakPolarHBondContact O-CA 3.33Å; L62-R65 WeakPolarHBondContact O-CB 3.47Å; L62-R65 PolarHBondContact O-N 2.9Å; G63-R65 VanDerWaalsContact C-N 3.29Å; G63-R65 PolarHBondContact O-N 2.9Å; R65-V67 VanDerWaalsContact C-N 3.33Å; R65-N68 PolarHBondContact O-N 3.08Å; R65-E69 PolarHBondContact O-N 2.83Å; R65-M114 HydrophobicContact CB-CB 4.28Å; R65-M114 HydrophobicContact CB-CE 3.93Å; R65-M114 WeakPolarHBondContact CD-O 3.44Å; R65-L117 VanDerWaalsContact CZ-CD1 3.43Å; R65-L117 VanDerWaalsContact CZ-CD2 3.41Å; R65-M131 HydrophobicContact CG-CE 3.75Å; R65-M131 HydrophobicContact CG-SD 3.96Å; R65-M134 HydrophobicContact CG-CE 4.21Å; R65-M134 HydrophobicContact CG-SD 4.06Å; R65-M134 PolarHBondContact NE-SD 3.17Å
66I92.7Very high90.8Very high25 Ų2556.6 Ų56.613%0.12831%0.308CS..Hα-helixtrans-61.6-45.6175.6-65.1165.7000109.3L57 L62 G63 E69 F70 F110 M114L57-I66 HydrophobicContact CD1-CB 4.13Å; L57-I66 HydrophobicContact CD1-CD1 4.01Å; L57-I66 HydrophobicContact CD1-CG2 4.08Å; L62-I66 HydrophobicContact CB-CD1 4.3Å; L62-I66 HydrophobicContact CB-CG1 4.48Å; L62-I66 WeakPolarHBondContact O-CG1 3.35Å; L62-I66 PolarHBondContact O-N 2.73Å; G63-I66 PolarHBondContact O-N 2.86Å; I66-E69 PolarHBondContact O-N 2.89Å; I66-F70 HydrophobicContact CG2-CD2 3.83Å; I66-F70 HydrophobicContact CG2-CE2 3.8Å; I66-F70 VanDerWaalsContact O-CD2 3.27Å; I66-F70 WeakPolarHBondContact O-CD2 3.34Å; I66-F70 PolarHBondContact O-N 3.19Å; I66-F110 HydrophobicContact CG2-CZ 4.47Å; I66-M114 HydrophobicContact CG1-CE 3.74Å; I66-M114 HydrophobicContact CG1-SD 4.35Å
67V93.4Very high91Very high2 Ų253.8 Ų53.81%0.01230%0.295CS..Hα-helixtrans-61.6-47177.1179.10000110.8R48 F51 L57 G63 D64 R65 E69 F70 F71R48-V67 HydrophobicContact CB-CG1 4.11Å; R48-V67 HydrophobicContact CG-CG1 4.13Å; F51-V67 HydrophobicContact CB-CG1 4.24Å; F51-V67 HydrophobicContact CB-CG2 3.73Å; F51-V67 HydrophobicContact CD1-CG2 4.09Å; F51-V67 HydrophobicContact CG-CG2 4.25Å; L57-V67 HydrophobicContact CD2-CG2 3.56Å; L57-V67 HydrophobicContact CG-CG2 4.34Å; G63-V67 WeakPolarHBondContact O-CG2 3.33Å; G63-V67 PolarHBondContact O-N 3.43Å; D64-V67 PolarHBondContact O-N 2.86Å; R65-V67 VanDerWaalsContact C-N 3.33Å; V67-E69 VanDerWaalsContact C-N 3.32Å; V67-E69 PolarHBondContact O-N 3.4Å; V67-F70 PolarHBondContact O-N 3.42Å; V67-F71 HydrophobicContact CG1-CD2 3.82Å; V67-F71 HydrophobicContact CG1-CE2 3.99Å; V67-F71 VanDerWaalsContact O-CD2 3.3Å; V67-F71 WeakPolarHBondContact O-CD2 3.32Å; V67-F71 PolarHBondContact O-N 2.87Å; V67-F71 VanDerWaalsContact O-N 3.1Å
68N91.8Very high91.3Very high56 Ų5652.7 Ų52.730%0.29929%0.289SS..Hα-helixtrans-51.9-51.1175.4-71.92.3000111.7R48 D64 R65 F70 F71 K72R48-N68 PolarHBondContact NH1-OD1 2.99Å; R48-N68 PolarHBondContact NH2-OD1 3.41Å; D64-N68 WeakPolarHBondContact O-CB 3.47Å; D64-N68 PolarHBondContact O-N 3.43Å; D64-N68 PolarHBondContact O-OD1 3.15Å; D64-N68 VanDerWaalsContact O-OD1 3.13Å; R65-N68 PolarHBondContact O-N 3.08Å; N68-F70 PolarHBondContact O-N 2.76Å; N68-F71 CarbonylContact O-C 3.44Å; N68-F71 PolarHBondContact O-N 2.81Å; N68-K72 PolarHBondContact O-N 3.4Å
69E93.5Very high91.6Very high6 Ų652.8 Ų52.83%0.02828%0.281CS..Hα-helixtrans-67.5-33.5-179175.853.1-150.200112.8R65 I66 V67 F71 K72 K86 R89 F110 G113 M114R65-E69 PolarHBondContact O-N 2.83Å; I66-E69 PolarHBondContact O-N 2.89Å; V67-E69 VanDerWaalsContact C-N 3.32Å; V67-E69 PolarHBondContact O-N 3.4Å; E69-F71 VanDerWaalsContact C-N 3.3Å; E69-F71 PolarHBondContact O-N 3.3Å; E69-K72 WeakPolarHBondContact O-CB 3.3Å; E69-K72 PolarHBondContact O-N 3.31Å; E69-K72 VanDerWaalsContact OE2-CD 3.23Å; E69-K72 WeakPolarHBondContact OE2-CD 3.46Å; E69-K86 PolarHBondContact O-NZ 3.07Å; E69-K86 IonicContact OE1-NZ 3.81Å; E69-R89 IonicContact OE1-CZ 3.62Å; E69-R89 IonicContact OE1-NH1 3.58Å; E69-R89 PolarHBondContact OE1-NH1 3.11Å; E69-F110 HydrophobicContact CB-CE1 4.45Å; E69-F110 HydrophobicContact CB-CE2 4.27Å; E69-F110 HydrophobicContact CB-CZ 4.12Å; E69-F110 HydrophobicContact CG-CD1 3.98Å; E69-F110 HydrophobicContact CG-CD2 3.45Å; E69-F110 VanDerWaalsContact CG-CD2 3.45Å; E69-F110 HydrophobicContact CG-CE1 3.95Å; E69-F110 HydrophobicContact CG-CE2 3.41Å; E69-F110 VanDerWaalsContact CG-CE2 3.41Å; E69-F110 HydrophobicContact CG-CG 3.74Å; E69-F110 HydrophobicContact CG-CZ 3.65Å; E69-G113 WeakPolarHBondContact OE2-CA 3.43Å; E69-M114 HydrophobicContact CB-CG 4.01Å; E69-M114 HydrophobicContact CG-CG 4.35Å
70F94.5Very high91.9Very high8 Ų846.5 Ų46.54%0.03525%0.248CC..Hα-helixtrans-61-40.6173.5-97.9-109000112.1F51 I66 V67 N68 L78 F83 K86 L87 F90 F110F51-F70 HydrophobicContact CE1-CB 4.17Å; F51-F70 AromaticContact CE1-CD1 3.54Å; F51-F70 HydrophobicContact CE1-CD1 3.54Å; F51-F70 HydrophobicContact CE1-CE1 4Å; F51-F70 AromaticContact CE1-CG 3.85Å; F51-F70 HydrophobicContact CE1-CG 3.85Å; F51-F70 HydrophobicContact CZ-CB 4.35Å; F51-F70 AromaticContact CZ-CD1 3.59Å; F51-F70 HydrophobicContact CZ-CD1 3.59Å; F51-F70 HydrophobicContact CZ-CE1 4.2Å; F51-F70 HydrophobicContact CZ-CG 4.2Å; I66-F70 HydrophobicContact CG2-CD2 3.83Å; I66-F70 HydrophobicContact CG2-CE2 3.8Å; I66-F70 VanDerWaalsContact O-CD2 3.27Å; I66-F70 WeakPolarHBondContact O-CD2 3.34Å; I66-F70 PolarHBondContact O-N 3.19Å; V67-F70 PolarHBondContact O-N 3.42Å; N68-F70 PolarHBondContact O-N 2.76Å; F70-L78 HydrophobicContact CD1-CD2 4.01Å; F70-L78 WeakPolarHBondContact O-CD1 3.36Å; F70-F83 HydrophobicContact CD1-CD2 4.41Å; F70-F83 HydrophobicContact CE1-CD2 4.17Å; F70-F83 HydrophobicContact CE1-CE2 4.26Å; F70-K86 HydrophobicContact CD1-CB 3.69Å; F70-K86 HydrophobicContact CD1-CG 4.21Å; F70-K86 HydrophobicContact CE1-CB 3.61Å; F70-K86 HydrophobicContact CE2-CB 4.49Å; F70-K86 HydrophobicContact CG-CB 4.19Å; F70-K86 HydrophobicContact CG-CG 4.5Å; F70-K86 HydrophobicContact CZ-CB 4.05Å; F70-K86 WeakPolarHBondContact O-CE 3.39Å; F70-L87 HydrophobicContact CE1-CD2 4.27Å; F70-L87 HydrophobicContact CE1-CG 4.19Å; F70-L87 HydrophobicContact CZ-CD2 3.95Å; F70-L87 HydrophobicContact CZ-CG 4.27Å; F70-F90 AromaticContact CE2-CE2 3.68Å; F70-F90 HydrophobicContact CE2-CE2 3.68Å; F70-F90 HydrophobicContact CE2-CZ 4.19Å; F70-F90 AromaticContact CZ-CE2 3.92Å; F70-F90 HydrophobicContact CZ-CE2 3.92Å; F70-F110 AromaticContact CD2-CE2 3.98Å; F70-F110 HydrophobicContact CD2-CE2 3.98Å; F70-F110 AromaticContact CD2-CZ 3.9Å; F70-F110 HydrophobicContact CD2-CZ 3.9Å; F70-F110 AromaticContact CE2-CE2 3.94Å; F70-F110 HydrophobicContact CE2-CE2 3.94Å; F70-F110 AromaticContact CE2-CZ 3.82Å; F70-F110 HydrophobicContact CE2-CZ 3.82Å
71F94.3Very high92.1Very high15 Ų1546.5 Ų46.57%0.06624%0.244CC..Hα-helixtrans-89.4-3.1-179-74.1-86.8000114L46 R47 R48 F51 V67 N68 E69 D73 S74 L78L46-F71 HydrophobicContact CB-CZ 4.34Å; L46-F71 VanDerWaalsContact O-CE1 3.3Å; L46-F71 WeakPolarHBondContact O-CE1 3.27Å; R47-F71 WeakPolarHBondContact O-CZ 3.48Å; R48-F71 HydrophobicContact CB-CE2 4.5Å; R48-F71 HydrophobicContact CG-CB 4.44Å; R48-F71 HydrophobicContact CG-CD1 4.35Å; R48-F71 HydrophobicContact CG-CD2 3.81Å; R48-F71 HydrophobicContact CG-CE2 4.16Å; R48-F71 HydrophobicContact CG-CG 3.93Å; F51-F71 AromaticContact CD2-CE2 3.5Å; F51-F71 HydrophobicContact CD2-CE2 3.5Å; F51-F71 VanDerWaalsContact CD2-CE2 3.5Å; F51-F71 AromaticContact CD2-CZ 3.73Å; F51-F71 HydrophobicContact CD2-CZ 3.73Å; F51-F71 AromaticContact CE2-CE2 3.53Å; F51-F71 HydrophobicContact CE2-CE2 3.53Å; F51-F71 AromaticContact CE2-CZ 3.6Å; F51-F71 HydrophobicContact CE2-CZ 3.6Å; F51-F71 HydrophobicContact CG-CE2 4.06Å; F51-F71 HydrophobicContact CZ-CE2 4.12Å; F51-F71 HydrophobicContact CZ-CZ 4.47Å; V67-F71 HydrophobicContact CG1-CD2 3.82Å; V67-F71 HydrophobicContact CG1-CE2 3.99Å; V67-F71 VanDerWaalsContact O-CD2 3.3Å; V67-F71 WeakPolarHBondContact O-CD2 3.32Å; V67-F71 PolarHBondContact O-N 2.87Å; V67-F71 VanDerWaalsContact O-N 3.1Å; N68-F71 CarbonylContact O-C 3.44Å; N68-F71 PolarHBondContact O-N 2.81Å; E69-F71 VanDerWaalsContact C-N 3.3Å; E69-F71 PolarHBondContact O-N 3.3Å; F71-D73 PolarHBondContact O-N 2.91Å; F71-S74 VanDerWaalsContact C-OG 3.3Å; F71-S74 VanDerWaalsContact CA-OG 3.3Å; F71-S74 WeakPolarHBondContact CA-OG 3.37Å; F71-S74 WeakPolarHBondContact CD1-OG 3.48Å; F71-S74 WeakPolarHBondContact O-CB 3.47Å; F71-S74 PolarHBondContact O-N 2.9Å; F71-S74 PolarHBondContact O-OG 3.16Å; F71-L78 HydrophobicContact CD1-CB 4.03Å; F71-L78 HydrophobicContact CE1-CB 3.53Å; F71-L78 HydrophobicContact CZ-CB 4.01Å; F71-L78 HydrophobicContact CZ-CD2 4.47Å
72K89.9Confident92.5Very high38 Ų3845.3 Ų45.317%0.16523%0.231CC..THydrogen-bonded Turntrans-55.5127.8171.8-164.1167.8-171.51640109.7N68 E69 S74 K86 D116 M119N68-K72 PolarHBondContact O-N 3.4Å; E69-K72 WeakPolarHBondContact O-CB 3.3Å; E69-K72 PolarHBondContact O-N 3.31Å; E69-K72 VanDerWaalsContact OE2-CD 3.23Å; E69-K72 WeakPolarHBondContact OE2-CD 3.46Å; K72-S74 VanDerWaalsContact C-N 3.29Å; K72-S74 PolarHBondContact O-N 2.86Å; K72-K86 PolarHBondContact O-NZ 3.48Å; K72-D116 IonicContact NZ-OD2 2.64Å; K72-D116 PolarHBondContact NZ-OD2 2.81Å; K72-M119 HydrophobicContact CD-CE 4.27Å; K72-M119 HydrophobicContact CD-SD 4.41Å; K72-M119 HydrophobicContact CG-CE 3.72Å; K72-M119 HydrophobicContact CG-SD 4.03Å
73D86.3Confident92.7Very high122 Ų12243.9 Ų43.965%0.65222%0.223SC*.THydrogen-bonded Turntrans66.715.5-177.4-44.8-46000116.3F71F71-D73 PolarHBondContact O-N 2.91Å
74S88.1Confident93Very high9 Ų943.7 Ų43.76%0.06322%0.221CC..THydrogen-bonded Turntrans-1012-178.373.70000114.7F71 K72 G76 E77F71-S74 VanDerWaalsContact C-OG 3.3Å; F71-S74 VanDerWaalsContact CA-OG 3.3Å; F71-S74 WeakPolarHBondContact CA-OG 3.37Å; F71-S74 WeakPolarHBondContact CD1-OG 3.48Å; F71-S74 WeakPolarHBondContact O-CB 3.47Å; F71-S74 PolarHBondContact O-N 2.9Å; F71-S74 PolarHBondContact O-OG 3.16Å; K72-S74 VanDerWaalsContact C-N 3.29Å; K72-S74 PolarHBondContact O-N 2.86Å; S74-G76 PolarHBondContact O-N 2.84Å; S74-G76 PolarHBondContact OG-N 3.09Å; S74-E77 WeakPolarHBondContact CB-O 3.27Å; S74-E77 PolarHBondContact O-N 2.83Å
75Q88.2Confident93.2Very high187 Ų18742.7 Ų42.787%0.87421%0.21SC*.THydrogen-bonded Turntrans53.126.9-172.9-54.3-61.3-42.900113.2
76G91.2Very high93.4Very high37 Ų3741.9 Ų41.938%0.38121%0.208SC..THydrogen-bonded Turntrans88.9-5.9-179.300000115.3S74S74-G76 PolarHBondContact O-N 2.84Å; S74-G76 PolarHBondContact OG-N 3.09Å
77E95.2Very high93.5Very high75 Ų7541.7 Ų41.735%0.3521%0.207SC..  trans-127.5120.3-175.6-65.9-175.9164.300111.3Y45 L46 R47 S74Y45-E77 HydrophobicContact CD2-CB 3.97Å; Y45-E77 HydrophobicContact CD2-CG 3.73Å; Y45-E77 HydrophobicContact CE2-CG 4.02Å; Y45-E77 WeakPolarHBondContact CE2-OE1 3.41Å; Y45-E77 HydrophobicContact CG-CB 3.98Å; Y45-E77 HydrophobicContact CG-CG 4.15Å; L46-E77 WeakPolarHBondContact O-CA 3.38Å; R47-E77 HydrophobicContact CG-CG 4.44Å; R47-E77 IonicContact CZ-OE1 3.97Å; R47-E77 IonicContact NE-OE1 3.2Å; R47-E77 IonicContact NH2-OE1 2.88Å; R47-E77 PolarHBondContact NH2-OE1 2.96Å; S74-E77 WeakPolarHBondContact CB-O 3.27Å; S74-E77 PolarHBondContact O-N 2.83Å
78L96.2Very high93.6Very high1 Ų141.6 Ų41.61%0.00521%0.206CC..BIsolated β-bridgetrans-106.5107.7-175.3-168.673.2000110.6Y35 L46 F51 F70 F71 Q82 F83Y35-L78 PolarHBondContact OH-O 3.14Å; L46-L78 HydrophobicContact CB-CB 4.38Å; L46-L78 PolarHBondContact N-O 3.33Å; L46-L78 PolarHBondContact O-N 3.1Å; F51-L78 HydrophobicContact CE2-CD2 4.12Å; F51-L78 HydrophobicContact CZ-CD2 3.85Å; F70-L78 HydrophobicContact CD1-CD2 4.01Å; F70-L78 WeakPolarHBondContact O-CD1 3.36Å; F71-L78 HydrophobicContact CD1-CB 4.03Å; F71-L78 HydrophobicContact CE1-CB 3.53Å; F71-L78 HydrophobicContact CZ-CB 4.01Å; F71-L78 HydrophobicContact CZ-CD2 4.47Å; L78-Q82 HydrophobicContact CD1-CB 3.49Å; L78-Q82 VanDerWaalsContact CD1-CB 3.49Å; L78-Q82 HydrophobicContact CG-CB 4.24Å; L78-F83 HydrophobicContact CD2-CB 3.93Å; L78-F83 HydrophobicContact CD2-CD2 3.88Å; L78-F83 HydrophobicContact CD2-CG 4.43Å; L78-F83 HydrophobicContact CG-CB 4.15Å
79N95.3Very high93.7Very high67 Ų6740.8 Ų40.836%0.35820%0.199SC..  trans-75.4168.1174.870.644.4000112Y35 R81 Q82 F83Y35-N79 WeakPolarHBondContact OH-CA 3.41Å; N79-R81 PolarHBondContact O-N 2.77Å; N79-R81 PolarHBondContact OD1-N 3.32Å; N79-Q82 PolarHBondContact ND2-OE1 3.23Å; N79-Q82 VanDerWaalsContact ND2-OE1 3.16Å; N79-Q82 PolarHBondContact O-N 2.92Å; N79-Q82 WeakPolarHBondContact OD1-CB 3.4Å; N79-Q82 WeakPolarHBondContact OD1-CG 3.21Å; N79-Q82 PolarHBondContact OD1-N 3.35Å; N79-Q82 PolarHBondContact OD1-OE1 3.02Å; N79-F83 WeakPolarHBondContact O-CB 3.37Å; N79-F83 PolarHBondContact O-N 3.28Å
80F95.5Very high93.7Very high13 Ų1341.4 Ų41.46%0.05720%0.202CC..Hα-helixtrans-58.7-46.6-176.2178.4-115.6000113.2L9 I17 I28 L31 Y32 Y35 Q82 F83 V84L9-F80 HydrophobicContact CD1-CD1 4.2Å; L9-F80 HydrophobicContact CD1-CE1 3.49Å; L9-F80 VanDerWaalsContact CD1-CE1 3.49Å; L9-F80 HydrophobicContact CD1-CZ 3.87Å; L9-F80 HydrophobicContact CD2-CD1 3.89Å; L9-F80 HydrophobicContact CD2-CE1 3.69Å; L9-F80 HydrophobicContact CG-CD1 4.48Å; L9-F80 HydrophobicContact CG-CE1 4.15Å; I17-F80 HydrophobicContact CD1-CD1 3.99Å; I17-F80 HydrophobicContact CD1-CE1 3.74Å; I28-F80 HydrophobicContact CG2-CE1 3.97Å; I28-F80 HydrophobicContact CG2-CZ 3.93Å; L31-F80 HydrophobicContact CB-CE2 4.23Å; L31-F80 HydrophobicContact CB-CZ 4.46Å; Y32-F80 AromaticContact CD2-CD1 3.87Å; Y32-F80 HydrophobicContact CD2-CD1 3.87Å; Y32-F80 AromaticContact CD2-CD2 3.75Å; Y32-F80 HydrophobicContact CD2-CD2 3.75Å; Y32-F80 AromaticContact CD2-CE1 3.95Å; Y32-F80 HydrophobicContact CD2-CE1 3.95Å; Y32-F80 AromaticContact CD2-CE2 3.83Å; Y32-F80 HydrophobicContact CD2-CE2 3.83Å; Y32-F80 AromaticContact CD2-CG 3.76Å; Y32-F80 HydrophobicContact CD2-CG 3.76Å; Y32-F80 AromaticContact CD2-CZ 3.91Å; Y32-F80 HydrophobicContact CD2-CZ 3.91Å; Y32-F80 HydrophobicContact CE2-CD1 4.42Å; Y32-F80 HydrophobicContact CE2-CG 4.28Å; Y32-F80 HydrophobicContact CG-CE2 4.31Å; Y32-F80 HydrophobicContact CG-CZ 4.26Å; Y35-F80 HydrophobicContact CD1-CB 4.19Å; Y35-F80 HydrophobicContact CD1-CD2 4.08Å; Y35-F80 HydrophobicContact CD2-CB 4.39Å; Y35-F80 AromaticContact CD2-CD2 3.99Å; Y35-F80 HydrophobicContact CD2-CD2 3.99Å; Y35-F80 HydrophobicContact CE1-CB 4Å; Y35-F80 HydrophobicContact CE2-CB 4.19Å; Y35-F80 HydrophobicContact CG-CB 4.37Å; Y35-F80 AromaticContact CG-CD2 3.69Å; Y35-F80 HydrophobicContact CG-CD2 3.69Å; Y35-F80 HydrophobicContact CG-CG 4.48Å; Y35-F80 PolarHBondContact OH-N 2.9Å; F80-Q82 PolarHBondContact O-N 3Å; F80-F83 HydrophobicContact CD2-CD1 4.42Å; F80-F83 WeakPolarHBondContact O-CB 3.22Å; F80-F83 PolarHBondContact O-N 2.89Å; F80-V84 HydrophobicContact CD1-CG2 4.45Å; F80-V84 HydrophobicContact CD2-CG2 3.96Å; F80-V84 HydrophobicContact CE1-CG2 3.96Å; F80-V84 HydrophobicContact CE2-CG2 3.4Å; F80-V84 HydrophobicContact CG-CG2 4.46Å; F80-V84 HydrophobicContact CZ-CG2 3.42Å; F80-V84 VanDerWaalsContact CZ-CG2 3.42Å; F80-V84 WeakPolarHBondContact O-CG2 3.38Å; F80-V84 PolarHBondContact O-N 2.82Å
81R95.5Very high93.6Very high63 Ų6342.5 Ų42.524%0.23821%0.206CC..Hα-helixtrans-61.2-43.5179.8-170.7167.9-174.7163.2-0.1111.5E16 I17 E20 N79 V84 R85E16-R81 IonicContact OE2-CZ 3.24Å; E16-R81 VanDerWaalsContact OE2-CZ 3.24Å; E16-R81 IonicContact OE2-NH1 2.77Å; E16-R81 PolarHBondContact OE2-NH1 2.68Å; E16-R81 IonicContact OE2-NH2 2.89Å; E16-R81 PolarHBondContact OE2-NH2 2.76Å; I17-R81 HydrophobicContact CD1-CB 4.47Å; I17-R81 HydrophobicContact CD1-CG 4.41Å; I17-R81 HydrophobicContact CG1-CG 4.13Å; E20-R81 IonicContact OE1-CZ 3.85Å; E20-R81 IonicContact OE1-NE 3.99Å; E20-R81 PolarHBondContact OE1-NE 2.88Å; E20-R81 IonicContact OE1-NH2 2.82Å; E20-R81 PolarHBondContact OE1-NH2 3.47Å; E20-R81 IonicContact OE2-CZ 3.42Å; E20-R81 IonicContact OE2-NE 3.52Å; E20-R81 PolarHBondContact OE2-NE 3.46Å; E20-R81 IonicContact OE2-NH2 2.76Å; N79-R81 PolarHBondContact O-N 2.77Å; N79-R81 PolarHBondContact OD1-N 3.32Å; R81-V84 PolarHBondContact O-N 3.33Å; R81-R85 WeakPolarHBondContact O-CG 3.33Å; R81-R85 PolarHBondContact O-N 3.24Å
82Q96Very high93.3Very high53 Ų5347 Ų4725%0.24823%0.225CC..Hα-helixtrans-62.9-43.8174.4-69.7168.3-40.600111.9L78 N79 F80 V84 R85 K86L78-Q82 HydrophobicContact CD1-CB 3.49Å; L78-Q82 VanDerWaalsContact CD1-CB 3.49Å; L78-Q82 HydrophobicContact CG-CB 4.24Å; N79-Q82 PolarHBondContact ND2-OE1 3.23Å; N79-Q82 VanDerWaalsContact ND2-OE1 3.16Å; N79-Q82 PolarHBondContact O-N 2.92Å; N79-Q82 WeakPolarHBondContact OD1-CB 3.4Å; N79-Q82 WeakPolarHBondContact OD1-CG 3.21Å; N79-Q82 PolarHBondContact OD1-N 3.35Å; N79-Q82 PolarHBondContact OD1-OE1 3.02Å; F80-Q82 PolarHBondContact O-N 3Å; Q82-V84 PolarHBondContact O-N 3.44Å; Q82-R85 PolarHBondContact O-N 2.75Å; Q82-K86 WeakPolarHBondContact O-CG 3.23Å; Q82-K86 PolarHBondContact O-N 2.89Å
83F96.1Very high93.1Very high12 Ų1246.5 Ų46.55%0.05323%0.225CC..Hα-helixtrans-56.7-47.7176.6174.6-108000112Y35 L46 F51 F70 L78 N79 F80 K86 L87Y35-F83 HydrophobicContact CD2-CB 4.1Å; Y35-F83 AromaticContact CD2-CD1 3.87Å; Y35-F83 HydrophobicContact CD2-CD1 3.87Å; Y35-F83 HydrophobicContact CD2-CE1 4.45Å; Y35-F83 AromaticContact CD2-CG 3.99Å; Y35-F83 HydrophobicContact CD2-CG 3.99Å; Y35-F83 HydrophobicContact CE2-CB 4.24Å; L46-F83 HydrophobicContact CD1-CD2 4.16Å; L46-F83 HydrophobicContact CD1-CE2 4.32Å; F51-F83 HydrophobicContact CE1-CE2 4.42Å; F51-F83 AromaticContact CZ-CD2 3.92Å; F51-F83 HydrophobicContact CZ-CD2 3.92Å; F51-F83 AromaticContact CZ-CE2 3.83Å; F51-F83 HydrophobicContact CZ-CE2 3.83Å; F70-F83 HydrophobicContact CD1-CD2 4.41Å; F70-F83 HydrophobicContact CE1-CD2 4.17Å; F70-F83 HydrophobicContact CE1-CE2 4.26Å; L78-F83 HydrophobicContact CD2-CB 3.93Å; L78-F83 HydrophobicContact CD2-CD2 3.88Å; L78-F83 HydrophobicContact CD2-CG 4.43Å; L78-F83 HydrophobicContact CG-CB 4.15Å; N79-F83 WeakPolarHBondContact O-CB 3.37Å; N79-F83 PolarHBondContact O-N 3.28Å; F80-F83 HydrophobicContact CD2-CD1 4.42Å; F80-F83 WeakPolarHBondContact O-CB 3.22Å; F80-F83 PolarHBondContact O-N 2.89Å; F83-K86 PolarHBondContact O-N 3.23Å; F83-L87 HydrophobicContact CD1-CD1 3.91Å; F83-L87 HydrophobicContact CD2-CD1 4.49Å; F83-L87 HydrophobicContact CE1-CD1 3.41Å; F83-L87 VanDerWaalsContact CE1-CD1 3.41Å; F83-L87 HydrophobicContact CE2-CD1 4.06Å; F83-L87 HydrophobicContact CE2-CG 4.44Å; F83-L87 HydrophobicContact CG-CD1 4.44Å; F83-L87 HydrophobicContact CZ-CD1 3.5Å; F83-L87 VanDerWaalsContact CZ-CD1 3.5Å; F83-L87 HydrophobicContact CZ-CG 4.34Å; F83-L87 WeakPolarHBondContact O-CG 3.43Å; F83-L87 PolarHBondContact O-N 3.42Å
84V96.4Very high92.9Very high0 Ų047.2 Ų47.20%022%0.219CC..Hα-helixtrans-66.9-38.3178.4-1750000111.5I17 T21 F23 L31 F80 R81 Q82 L87 A88I17-V84 HydrophobicContact CG2-CB 4.18Å; I17-V84 HydrophobicContact CG2-CG1 3.67Å; T21-V84 HydrophobicContact CG2-CG1 4.07Å; F23-V84 HydrophobicContact CD2-CG1 3.47Å; F23-V84 VanDerWaalsContact CD2-CG1 3.47Å; F23-V84 HydrophobicContact CE2-CG1 3.72Å; L31-V84 HydrophobicContact CB-CG2 4.42Å; L31-V84 HydrophobicContact CD1-CG1 3.97Å; L31-V84 HydrophobicContact CD1-CG2 4.24Å; F80-V84 HydrophobicContact CD1-CG2 4.45Å; F80-V84 HydrophobicContact CD2-CG2 3.96Å; F80-V84 HydrophobicContact CE1-CG2 3.96Å; F80-V84 HydrophobicContact CE2-CG2 3.4Å; F80-V84 HydrophobicContact CG-CG2 4.46Å; F80-V84 HydrophobicContact CZ-CG2 3.42Å; F80-V84 VanDerWaalsContact CZ-CG2 3.42Å; F80-V84 WeakPolarHBondContact O-CG2 3.38Å; F80-V84 PolarHBondContact O-N 2.82Å; R81-V84 PolarHBondContact O-N 3.33Å; Q82-V84 PolarHBondContact O-N 3.44Å; V84-L87 PolarHBondContact O-N 3.47Å; V84-A88 PolarHBondContact O-N 3.38Å
85R96Very high92.5Very high69 Ų6952.1 Ų52.126%0.2625%0.25SS..Hα-helixtrans-61.2-43.1174.3-71.3171.6175171.1-4.7112.2E20 T21 R81 Q82 A88 F101E20-R85 IonicContact OE1-CZ 3.92Å; E20-R85 IonicContact OE1-NH2 2.76Å; E20-R85 PolarHBondContact OE1-NH2 3.4Å; E20-R85 IonicContact OE2-CZ 3.78Å; E20-R85 VanDerWaalsContact OE2-CZ 3.24Å; E20-R85 IonicContact OE2-NE 3.54Å; E20-R85 PolarHBondContact OE2-NE 2.86Å; E20-R85 IonicContact OE2-NH2 3.55Å; E20-R85 PolarHBondContact OE2-NH2 2.67Å; T21-R85 HydrophobicContact CG2-CG 4.16Å; R81-R85 WeakPolarHBondContact O-CG 3.33Å; R81-R85 PolarHBondContact O-N 3.24Å; Q82-R85 PolarHBondContact O-N 2.75Å; R85-A88 WeakPolarHBondContact O-CB 3.42Å; R85-A88 PolarHBondContact O-N 3.07Å; R85-F101 HydrophobicContact CB-CD1 4.24Å; R85-F101 HydrophobicContact CB-CD2 4.18Å; R85-F101 HydrophobicContact CB-CE1 4.25Å; R85-F101 HydrophobicContact CB-CE2 4.18Å; R85-F101 HydrophobicContact CB-CG 4.22Å; R85-F101 HydrophobicContact CB-CZ 4.22Å; R85-F101 VanDerWaalsContact CD-CZ 3.5Å; R85-F101 HydrophobicContact CG-CD2 3.83Å; R85-F101 HydrophobicContact CG-CE1 4.27Å; R85-F101 HydrophobicContact CG-CE2 3.48Å; R85-F101 VanDerWaalsContact CG-CE2 3.48Å; R85-F101 HydrophobicContact CG-CG 4.37Å; R85-F101 HydrophobicContact CG-CZ 3.74Å
86K95.4Very high92.1Very high22 Ų2251.3 Ų51.310%0.09625%0.247CC..Hα-helixtrans-63.3-42.6174.8-64.4-74.7-177.3161.50110.7E69 F70 K72 Q82 F83 A88 R89E69-K86 PolarHBondContact O-NZ 3.07Å; E69-K86 IonicContact OE1-NZ 3.81Å; F70-K86 HydrophobicContact CD1-CB 3.69Å; F70-K86 HydrophobicContact CD1-CG 4.21Å; F70-K86 HydrophobicContact CE1-CB 3.61Å; F70-K86 HydrophobicContact CE2-CB 4.49Å; F70-K86 HydrophobicContact CG-CB 4.19Å; F70-K86 HydrophobicContact CG-CG 4.5Å; F70-K86 HydrophobicContact CZ-CB 4.05Å; F70-K86 WeakPolarHBondContact O-CE 3.39Å; K72-K86 PolarHBondContact O-NZ 3.48Å; Q82-K86 WeakPolarHBondContact O-CG 3.23Å; Q82-K86 PolarHBondContact O-N 2.89Å; F83-K86 PolarHBondContact O-N 3.23Å; K86-A88 VanDerWaalsContact C-N 3.33Å; K86-A88 PolarHBondContact O-N 3.04Å; K86-R89 WeakPolarHBondContact O-CB 3.4Å; K86-R89 PolarHBondContact O-N 3.41Å
87L95.4Very high91.7Very high20 Ų2054 Ų5411%0.10525%0.249CC..Hα-helixtrans-66-30176.5-76.7174.2000114.3F23 L31 F70 F83 V84 R89 F90 F186F23-L87 HydrophobicContact CE2-CB 4.39Å; F23-L87 HydrophobicContact CZ-CB 4.3Å; L31-L87 HydrophobicContact CD1-CD1 4.19Å; L31-L87 HydrophobicContact CD2-CD1 3.58Å; L31-L87 HydrophobicContact CG-CD1 4.47Å; F70-L87 HydrophobicContact CE1-CD2 4.27Å; F70-L87 HydrophobicContact CE1-CG 4.19Å; F70-L87 HydrophobicContact CZ-CD2 3.95Å; F70-L87 HydrophobicContact CZ-CG 4.27Å; F83-L87 HydrophobicContact CD1-CD1 3.91Å; F83-L87 HydrophobicContact CD2-CD1 4.49Å; F83-L87 HydrophobicContact CE1-CD1 3.41Å; F83-L87 VanDerWaalsContact CE1-CD1 3.41Å; F83-L87 HydrophobicContact CE2-CD1 4.06Å; F83-L87 HydrophobicContact CE2-CG 4.44Å; F83-L87 HydrophobicContact CG-CD1 4.44Å; F83-L87 HydrophobicContact CZ-CD1 3.5Å; F83-L87 VanDerWaalsContact CZ-CD1 3.5Å; F83-L87 HydrophobicContact CZ-CG 4.34Å; F83-L87 WeakPolarHBondContact O-CG 3.43Å; F83-L87 PolarHBondContact O-N 3.42Å; V84-L87 PolarHBondContact O-N 3.47Å; L87-R89 PolarHBondContact O-N 3.47Å; L87-R89 VanDerWaalsContact O-N 3.14Å; L87-F90 PolarHBondContact O-N 3.36Å; L87-F186 HydrophobicContact CB-CZ 4.24Å; L87-F186 HydrophobicContact CD1-CE2 4.39Å; L87-F186 HydrophobicContact CD2-CE2 4.27Å; L87-F186 HydrophobicContact CD2-CZ 4.2Å
88A95.1Very high91.3Very high0 Ų053.3 Ų53.30%025%0.253CS..Hα-helixtrans-58.1-28.5178.700000112T21 F23 V84 R85 K86 F90 R91 F101 N102T21-A88 HydrophobicContact CG2-CB 4.12Å; F23-A88 HydrophobicContact CE2-CB 3.93Å; V84-A88 PolarHBondContact O-N 3.38Å; R85-A88 WeakPolarHBondContact O-CB 3.42Å; R85-A88 PolarHBondContact O-N 3.07Å; K86-A88 VanDerWaalsContact C-N 3.33Å; K86-A88 PolarHBondContact O-N 3.04Å; A88-F90 PolarHBondContact O-N 3.41Å; A88-R91 WeakPolarHBondContact O-CB 3.43Å; A88-R91 PolarHBondContact O-N 3.47Å; A88-R91 VanDerWaalsContact O-N 3.1Å; A88-F101 CarbonylContact C-O 3.57Å; A88-F101 HydrophobicContact CB-CB 3.78Å; A88-N102 WeakPolarHBondContact O-CB 3.46Å; A88-N102 PolarHBondContact O-ND2 3.35Å
89R94.5Very high91.1Very high39 Ų3954.4 Ų54.415%0.14726%0.259CS..THydrogen-bonded Turntrans-61.9-25.8176.1-62.5168.4166.6177.8-12.4112.7E69 K86 L87 F101 K107 F110 M182E69-R89 IonicContact OE1-CZ 3.62Å; E69-R89 IonicContact OE1-NH1 3.58Å; E69-R89 PolarHBondContact OE1-NH1 3.11Å; K86-R89 WeakPolarHBondContact O-CB 3.4Å; K86-R89 PolarHBondContact O-N 3.41Å; L87-R89 PolarHBondContact O-N 3.47Å; L87-R89 VanDerWaalsContact O-N 3.14Å; R89-F101 VanDerWaalsContact CA-O 3.23Å; R89-F101 WeakPolarHBondContact CA-O 3.32Å; R89-F101 WeakPolarHBondContact CG-O 3.5Å; R89-F101 PolarHBondContact N-O 3Å; R89-K107 PolarHBondContact O-NZ 3.02Å; R89-F110 VanDerWaalsContact NH1-CD2 3.26Å; R89-M182 HydrophobicContact CB-CE 4.41Å
90F93.3Very high91Very high19 Ų1957 Ų578%0.08327%0.27CS..THydrogen-bonded Turntrans-90.50.1178.1-61.4-84.8000114.1F70 L87 A88 F110 M182 S183 I184 F186F70-F90 AromaticContact CE2-CE2 3.68Å; F70-F90 HydrophobicContact CE2-CE2 3.68Å; F70-F90 HydrophobicContact CE2-CZ 4.19Å; F70-F90 AromaticContact CZ-CE2 3.92Å; F70-F90 HydrophobicContact CZ-CE2 3.92Å; L87-F90 PolarHBondContact O-N 3.36Å; A88-F90 PolarHBondContact O-N 3.41Å; F90-F110 HydrophobicContact CE1-CE1 4.39Å; F90-F110 HydrophobicContact CE2-CE1 4.34Å; F90-F110 AromaticContact CE2-CE2 3.99Å; F90-F110 HydrophobicContact CE2-CE2 3.99Å; F90-F110 AromaticContact CE2-CZ 3.81Å; F90-F110 HydrophobicContact CE2-CZ 3.81Å; F90-F110 HydrophobicContact CZ-CD1 4.39Å; F90-F110 AromaticContact CZ-CE1 3.6Å; F90-F110 HydrophobicContact CZ-CE1 3.6Å; F90-F110 HydrophobicContact CZ-CE2 4.08Å; F90-F110 AromaticContact CZ-CZ 3.45Å; F90-F110 HydrophobicContact CZ-CZ 3.45Å; F90-F110 VanDerWaalsContact CZ-CZ 3.45Å; F90-M182 HydrophobicContact CD1-CE 3.96Å; F90-M182 HydrophobicContact CD1-CG 4.19Å; F90-M182 HydrophobicContact CE1-CE 3.51Å; F90-M182 HydrophobicContact CE1-CG 4.24Å; F90-M182 HydrophobicContact CE2-CE 4.33Å; F90-M182 HydrophobicContact CZ-CE 3.73Å; F90-S183 VanDerWaalsContact O-CA 3.29Å; F90-S183 WeakPolarHBondContact O-CA 3.12Å; F90-I184 HydrophobicContact CD1-CD1 3.73Å; F90-I184 HydrophobicContact CD1-CG1 4.17Å; F90-I184 HydrophobicContact CE1-CD1 4.2Å; F90-I184 HydrophobicContact CG-CD1 4.47Å; F90-I184 PolarHBondContact O-N 3.26Å; F90-F186 HydrophobicContact CB-CE1 3.97Å
91R92.8Very high90.9Very high31 Ų3158.2 Ų58.212%0.11728%0.275CS..SBendtrans-67.8151.4171.1-64.417267.1-114.2-7.1109.8T21 G22 F23 A88 V93 N102 K107T21-R91 WeakPolarHBondContact O-CD 3.07Å; T21-R91 PolarHBondContact O-NH1 2.72Å; G22-R91 VanDerWaalsContact C-CZ 3.47Å; G22-R91 PolarHBondContact O-NE 3.22Å; G22-R91 PolarHBondContact O-NH2 3.01Å; F23-R91 HydrophobicContact CD1-CG 4.29Å; F23-R91 VanDerWaalsContact CE1-CD 3.42Å; F23-R91 HydrophobicContact CE1-CG 3.49Å; F23-R91 VanDerWaalsContact CE1-CG 3.49Å; F23-R91 HydrophobicContact CE2-CG 4.39Å; F23-R91 VanDerWaalsContact CZ-CD 3.47Å; F23-R91 HydrophobicContact CZ-CG 3.55Å; A88-R91 WeakPolarHBondContact O-CB 3.43Å; A88-R91 PolarHBondContact O-N 3.47Å; A88-R91 VanDerWaalsContact O-N 3.1Å; R91-V93 PolarHBondContact O-N 3.34Å; R91-N102 PolarHBondContact O-ND2 3.22Å; R91-K107 PolarHBondContact O-NZ 3.11Å
92K88.1Confident90.8Very high110 Ų11055.2 Ų55.248%0.47826%0.264SS..PPolyproline II helixtrans-67.9126168179.3166.6175.6146.40109R94K92-R94 PolarHBondContact O-N 3.01Å
93V83.7Confident90.7Very high27 Ų2754.4 Ų54.416%0.16426%0.261CS..PPolyproline II helixtrans-68.2128.2176.6-175.20000108.6R91 N102 K107 E179R91-V93 PolarHBondContact O-N 3.34Å; V93-N102 WeakPolarHBondContact CA-OD1 3.42Å; V93-K107 HydrophobicContact CG2-CD 4.23Å; V93-E179 HydrophobicContact CB-CB 4.22Å; V93-E179 HydrophobicContact CB-CG 4.21Å; V93-E179 HydrophobicContact CG2-CB 4.09Å; V93-E179 HydrophobicContact CG2-CG 3.95Å
94R83.8Confident90.5Very high137 Ų13756.8 Ų56.852%0.51727%0.27SS..  trans-120.9129.4170.2-62.5179.6-179.6-171.4-1106.9K92 Q96 Q97 S98K92-R94 PolarHBondContact O-N 3.01Å; R94-Q96 PolarHBondContact O-N 3.49Å; R94-Q96 VanDerWaalsContact O-N 3.08Å; R94-Q97 HydrophobicContact CB-CB 4.25Å; R94-Q97 CarbonylContact O-C 3.36Å; R94-Q97 PolarHBondContact O-N 3.06Å; R94-S98 PolarHBondContact O-N 2.67Å; R94-S98 VanDerWaalsContact O-N 3.11Å
95P78.2Confident90.4Very high112 Ų11260 Ų6073%0.72729%0.287SS*.G310 helixtrans-51.3-39.1-173.9-29.635.1000114Q97P95-Q97 VanDerWaalsContact C-N 3.31Å; P95-Q97 PolarHBondContact O-N 3.13Å
96Q80.7Confident90.4Very high171 Ų17157 Ų5780%0.79928%0.277SS*.G310 helixtrans-81.3-4.4-179.1-55.780.61300114.3R94R94-Q96 PolarHBondContact O-N 3.49Å; R94-Q96 VanDerWaalsContact O-N 3.08Å
97Q82.5Confident90.4Very high93 Ų9356 Ų5644%0.43527%0.272SS..G310 helixtrans-13321-175.5-55.9-178-11.200112R94 P95R94-Q97 HydrophobicContact CB-CB 4.25Å; R94-Q97 CarbonylContact O-C 3.36Å; R94-Q97 PolarHBondContact O-N 3.06Å; P95-Q97 VanDerWaalsContact C-N 3.31Å; P95-Q97 PolarHBondContact O-N 3.13Å
98S87.1Confident90.4Very high61 Ų6155.2 Ų55.243%0.42727%0.268SS..  trans-62.1138.3172.3-173.50000109.1R94 N102 N103R94-S98 PolarHBondContact O-N 2.67Å; R94-S98 VanDerWaalsContact O-N 3.11Å; S98-N102 PolarHBondContact OG-O 2.98Å; S98-N103 WeakPolarHBondContact OG-CB 3.45Å
99T91.5Very high90.4Very high23 Ų2361.2 Ų61.214%0.14129%0.291CS..BIsolated β-bridgetrans-131.2169.2177.262.60000109.2E20 F101 N102 N103E20-T99 VanDerWaalsContact O-CB 3.22Å; E20-T99 WeakPolarHBondContact O-CB 3.16Å; E20-T99 PolarHBondContact O-OG1 2.97Å; T99-F101 PolarHBondContact O-N 3.42Å; T99-F101 VanDerWaalsContact O-N 3.08Å; T99-F101 PolarHBondContact OG1-N 2.87Å; T99-N102 PolarHBondContact N-O 3.21Å; T99-N102 CarbonylContact O-C 3.59Å; T99-N102 PolarHBondContact O-N 3.35Å; T99-N102 WeakPolarHBondContact OG1-CB 3.3Å; T99-N102 PolarHBondContact OG1-N 3.43Å; T99-N102 VanDerWaalsContact OG1-N 3.07Å; T99-N103 PolarHBondContact O-ND2 3.17Å
100Q92.6Very high90.5Very high123 Ų12359.3 Ų59.358%0.57528%0.284SS*.THydrogen-bonded Turntrans-55.8-26.9174.567.6178.5-26.600113.1N103 A106Q100-N103 PolarHBondContact O-ND2 3.35Å; Q100-A106 WeakPolarHBondContact O-CB 3.38Å
101F93.9Very high90.5Very high38 Ų3860 Ų6017%0.16729%0.288CS..THydrogen-bonded Turntrans-101.5-5.9179.4-53.4-62000113.7E20 T21 R85 A88 R89 T99E20-F101 HydrophobicContact CB-CD2 4.4Å; E20-F101 HydrophobicContact CB-CE2 4.07Å; E20-F101 WeakPolarHBondContact O-CD2 3.35Å; T21-F101 HydrophobicContact CG2-CD2 4.27Å; R85-F101 HydrophobicContact CB-CD1 4.24Å; R85-F101 HydrophobicContact CB-CD2 4.18Å; R85-F101 HydrophobicContact CB-CE1 4.25Å; R85-F101 HydrophobicContact CB-CE2 4.18Å; R85-F101 HydrophobicContact CB-CG 4.22Å; R85-F101 HydrophobicContact CB-CZ 4.22Å; R85-F101 VanDerWaalsContact CD-CZ 3.5Å; R85-F101 HydrophobicContact CG-CD2 3.83Å; R85-F101 HydrophobicContact CG-CE1 4.27Å; R85-F101 HydrophobicContact CG-CE2 3.48Å; R85-F101 VanDerWaalsContact CG-CE2 3.48Å; R85-F101 HydrophobicContact CG-CG 4.37Å; R85-F101 HydrophobicContact CG-CZ 3.74Å; A88-F101 CarbonylContact C-O 3.57Å; A88-F101 HydrophobicContact CB-CB 3.78Å; R89-F101 VanDerWaalsContact CA-O 3.23Å; R89-F101 WeakPolarHBondContact CA-O 3.32Å; R89-F101 WeakPolarHBondContact CG-O 3.5Å; R89-F101 PolarHBondContact N-O 3Å; T99-F101 PolarHBondContact O-N 3.42Å; T99-F101 VanDerWaalsContact O-N 3.08Å; T99-F101 PolarHBondContact OG1-N 2.87Å
102N94.2Very high90.7Very high0 Ų059.2 Ų59.20%029%0.286CS..BIsolated β-bridgetrans-137.380.4179.3-169.5-116.2000111.4A88 R91 V93 S98 T99A88-N102 WeakPolarHBondContact O-CB 3.46Å; A88-N102 PolarHBondContact O-ND2 3.35Å; R91-N102 PolarHBondContact O-ND2 3.22Å; V93-N102 WeakPolarHBondContact CA-OD1 3.42Å; S98-N102 PolarHBondContact OG-O 2.98Å; T99-N102 PolarHBondContact N-O 3.21Å; T99-N102 CarbonylContact O-C 3.59Å; T99-N102 PolarHBondContact O-N 3.35Å; T99-N102 WeakPolarHBondContact OG1-CB 3.3Å; T99-N102 PolarHBondContact OG1-N 3.43Å; T99-N102 VanDerWaalsContact OG1-N 3.07Å
103N93.3Very high91Very high36 Ų3654.2 Ų54.219%0.19327%0.266CS..SBendtrans-151.9176.8172.363.469.3000108.4S98 T99 Q100 D105 A106 K107S98-N103 WeakPolarHBondContact OG-CB 3.45Å; T99-N103 PolarHBondContact O-ND2 3.17Å; Q100-N103 PolarHBondContact O-ND2 3.35Å; N103-D105 WeakPolarHBondContact OD1-CA 3.3Å; N103-D105 WeakPolarHBondContact OD1-CB 3.36Å; N103-D105 PolarHBondContact OD1-N 3.1Å; N103-A106 PolarHBondContact O-N 3.29Å; N103-A106 PolarHBondContact OD1-N 3.07Å; N103-K107 WeakPolarHBondContact O-CG 3.49Å; N103-K107 PolarHBondContact O-N 2.9Å; N103-K107 VanDerWaalsContact O-N 3.12Å
104R92.7Very high91.6Very high62 Ų6253.6 Ų53.623%0.23426%0.261CS..Hα-helixtrans-58.1-51-178.6-172.7178.9174.676.62.4112.6A106 K107 L108 F173 D174 V176 E179R104-A106 PolarHBondContact O-N 3.43Å; R104-K107 PolarHBondContact O-N 3Å; R104-L108 HydrophobicContact CG-CD1 3.93Å; R104-L108 HydrophobicContact CG-CG 4.47Å; R104-L108 WeakPolarHBondContact O-CG 3.02Å; R104-L108 PolarHBondContact O-N 2.8Å; R104-F173 PolarHBondContact NH2-O 3.3Å; R104-D174 PolarHBondContact NH2-O 2.84Å; R104-V176 PolarHBondContact NH1-O 3.3Å; R104-E179 HydrophobicContact CB-CG 4.47Å; R104-E179 WeakPolarHBondContact CB-OE1 3.18Å; R104-E179 VanDerWaalsContact CD-OE1 3.25Å; R104-E179 WeakPolarHBondContact CD-OE1 3.36Å; R104-E179 VanDerWaalsContact CG-OE1 3.3Å; R104-E179 WeakPolarHBondContact CG-OE1 3.31Å; R104-E179 IonicContact NH1-OE1 3.32Å; R104-E179 PolarHBondContact NH1-OE1 2.62Å; R104-E179 IonicContact NH1-OE2 3.8Å; R104-E179 PolarHBondContact NH1-OE2 3.15Å
105D94.7Very high92.1Very high66 Ų6648.8 Ų48.835%0.35324%0.243SC..Hα-helixtrans-60.5-44.8179.817982.6000111.2N103 K107 L108 R109 Y166N103-D105 WeakPolarHBondContact OD1-CA 3.3Å; N103-D105 WeakPolarHBondContact OD1-CB 3.36Å; N103-D105 PolarHBondContact OD1-N 3.1Å; D105-K107 VanDerWaalsContact C-N 3.27Å; D105-K107 PolarHBondContact O-N 2.92Å; D105-L108 PolarHBondContact O-N 2.77Å; D105-L108 VanDerWaalsContact O-N 3.17Å; D105-R109 WeakPolarHBondContact O-CG 3.44Å; D105-R109 PolarHBondContact O-N 3.43Å; D105-R109 IonicContact OD1-CZ 3.06Å; D105-R109 IonicContact OD1-NE 3.45Å; D105-R109 IonicContact OD1-NH2 2.67Å; D105-R109 PolarHBondContact OD1-NH2 3.36Å; D105-R109 IonicContact OD2-CZ 3.37Å; D105-R109 IonicContact OD2-NE 3.24Å; D105-R109 PolarHBondContact OD2-NE 3.21Å; D105-R109 IonicContact OD2-NH2 2.99Å; D105-Y166 PolarHBondContact O-OH 3.19Å; D105-Y166 PolarHBondContact OD1-OH 2.74Å
106A94.4Very high92.9Very high7 Ų743.7 Ų43.76%0.05821%0.21CC..Hα-helixtrans-60.7-34.5177.400000113.5Q100 N103 R104 F110Q100-A106 WeakPolarHBondContact O-CB 3.38Å; N103-A106 PolarHBondContact O-N 3.29Å; N103-A106 PolarHBondContact OD1-N 3.07Å; R104-A106 PolarHBondContact O-N 3.43Å; A106-F110 PolarHBondContact O-N 3.08Å
107K95.1Very high93.3Very high0 Ų038.7 Ų38.70%019%0.188CC..Hα-helixtrans-72.8-45.6173.8-72.1175.9-178.2-73.10111.5R89 R91 V93 N103 R104 D105 R109 F110 L111 I178 M182R89-K107 PolarHBondContact O-NZ 3.02Å; R91-K107 PolarHBondContact O-NZ 3.11Å; V93-K107 HydrophobicContact CG2-CD 4.23Å; N103-K107 WeakPolarHBondContact O-CG 3.49Å; N103-K107 PolarHBondContact O-N 2.9Å; N103-K107 VanDerWaalsContact O-N 3.12Å; R104-K107 PolarHBondContact O-N 3Å; D105-K107 VanDerWaalsContact C-N 3.27Å; D105-K107 PolarHBondContact O-N 2.92Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.34Å; K107-F110 WeakPolarHBondContact O-CB 3.37Å; K107-F110 PolarHBondContact O-N 2.98Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.07Å; K107-I178 HydrophobicContact CB-CG2 4.25Å; K107-M182 HydrophobicContact CB-SD 3.72Å; K107-M182 HydrophobicContact CD-CB 4.36Å; K107-M182 HydrophobicContact CG-SD 3.87Å; K107-M182 PolarHBondContact NZ-O 2.8Å
108L96.1Very high93.8Very high4 Ų439.2 Ų39.22%0.02119%0.194CC..Hα-helixtrans-61-41.8177.6-74.2171.2000111.6R104 D105 F110 L111 F112 Y166 F169 V170 F173 I178R104-L108 HydrophobicContact CG-CD1 3.93Å; R104-L108 HydrophobicContact CG-CG 4.47Å; R104-L108 WeakPolarHBondContact O-CG 3.02Å; R104-L108 PolarHBondContact O-N 2.8Å; D105-L108 PolarHBondContact O-N 2.77Å; D105-L108 VanDerWaalsContact O-N 3.17Å; L108-F110 VanDerWaalsContact C-N 3.34Å; L108-F110 PolarHBondContact O-N 3.23Å; L108-L111 PolarHBondContact O-N 3.25Å; L108-F112 VanDerWaalsContact O-CB 3.29Å; L108-F112 WeakPolarHBondContact O-CB 3.42Å; L108-F112 PolarHBondContact O-N 2.95Å; L108-Y166 HydrophobicContact CB-CE2 4.4Å; L108-F169 HydrophobicContact CD2-CD1 4.39Å; L108-F169 HydrophobicContact CD2-CE1 4.04Å; L108-V170 HydrophobicContact CD1-CG1 4.27Å; L108-V170 HydrophobicContact CD1-CG2 4.08Å; L108-F173 HydrophobicContact CD2-CB 3.69Å; L108-F173 HydrophobicContact CD2-CD2 4.48Å; L108-F173 HydrophobicContact CD2-CG 4.02Å; L108-I178 HydrophobicContact CD2-CD1 4.06Å; L108-I178 HydrophobicContact CD2-CG1 3.85Å; L108-I178 HydrophobicContact CG-CG1 4.35Å
109R95.7Very high93.9Very high126 Ų12641.1 Ų41.148%0.47520%0.198SC..Hα-helixtrans-61-40.3173.6-71.2-175.8-172-78-10.3113.1D105 K107 G113 Y166D105-R109 WeakPolarHBondContact O-CG 3.44Å; D105-R109 PolarHBondContact O-N 3.43Å; D105-R109 IonicContact OD1-CZ 3.06Å; D105-R109 IonicContact OD1-NE 3.45Å; D105-R109 IonicContact OD1-NH2 2.67Å; D105-R109 PolarHBondContact OD1-NH2 3.36Å; D105-R109 IonicContact OD2-CZ 3.37Å; D105-R109 IonicContact OD2-NE 3.24Å; D105-R109 PolarHBondContact OD2-NE 3.21Å; D105-R109 IonicContact OD2-NH2 2.99Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.34Å; R109-G113 PolarHBondContact O-N 3.45Å; R109-Y166 HydrophobicContact CB-CE2 4.42Å; R109-Y166 HydrophobicContact CG-CE1 4.42Å; R109-Y166 HydrophobicContact CG-CE2 3.65Å; R109-Y166 VanDerWaalsContact CG-OH 3.3Å; R109-Y166 WeakPolarHBondContact CG-OH 3.36Å
110F95.2Very high94.1Very high0 Ų043.6 Ų43.60%021%0.21CC..Hα-helixtrans-62.9-48.1175-174.3-79.4000110.8I66 E69 F70 R89 F90 A106 K107 L108 G113 M114 M182I66-F110 HydrophobicContact CG2-CZ 4.47Å; E69-F110 HydrophobicContact CB-CE1 4.45Å; E69-F110 HydrophobicContact CB-CE2 4.27Å; E69-F110 HydrophobicContact CB-CZ 4.12Å; E69-F110 HydrophobicContact CG-CD1 3.98Å; E69-F110 HydrophobicContact CG-CD2 3.45Å; E69-F110 VanDerWaalsContact CG-CD2 3.45Å; E69-F110 HydrophobicContact CG-CE1 3.95Å; E69-F110 HydrophobicContact CG-CE2 3.41Å; E69-F110 VanDerWaalsContact CG-CE2 3.41Å; E69-F110 HydrophobicContact CG-CG 3.74Å; E69-F110 HydrophobicContact CG-CZ 3.65Å; F70-F110 AromaticContact CD2-CE2 3.98Å; F70-F110 HydrophobicContact CD2-CE2 3.98Å; F70-F110 AromaticContact CD2-CZ 3.9Å; F70-F110 HydrophobicContact CD2-CZ 3.9Å; F70-F110 AromaticContact CE2-CE2 3.94Å; F70-F110 HydrophobicContact CE2-CE2 3.94Å; F70-F110 AromaticContact CE2-CZ 3.82Å; F70-F110 HydrophobicContact CE2-CZ 3.82Å; R89-F110 VanDerWaalsContact NH1-CD2 3.26Å; F90-F110 HydrophobicContact CE1-CE1 4.39Å; F90-F110 HydrophobicContact CE2-CE1 4.34Å; F90-F110 AromaticContact CE2-CE2 3.99Å; F90-F110 HydrophobicContact CE2-CE2 3.99Å; F90-F110 AromaticContact CE2-CZ 3.81Å; F90-F110 HydrophobicContact CE2-CZ 3.81Å; F90-F110 HydrophobicContact CZ-CD1 4.39Å; F90-F110 AromaticContact CZ-CE1 3.6Å; F90-F110 HydrophobicContact CZ-CE1 3.6Å; F90-F110 HydrophobicContact CZ-CE2 4.08Å; F90-F110 AromaticContact CZ-CZ 3.45Å; F90-F110 HydrophobicContact CZ-CZ 3.45Å; F90-F110 VanDerWaalsContact CZ-CZ 3.45Å; A106-F110 PolarHBondContact O-N 3.08Å; K107-F110 WeakPolarHBondContact O-CB 3.37Å; K107-F110 PolarHBondContact O-N 2.98Å; L108-F110 VanDerWaalsContact C-N 3.34Å; L108-F110 PolarHBondContact O-N 3.23Å; F110-G113 PolarHBondContact O-N 3.17Å; F110-M114 HydrophobicContact CD1-CG 4.05Å; F110-M114 HydrophobicContact CD1-SD 3.71Å; F110-M114 HydrophobicContact CE1-CG 3.87Å; F110-M114 HydrophobicContact CE1-SD 3.42Å; F110-M114 WeakPolarHBondContact CE1-SD 3.35Å; F110-M114 WeakPolarHBondContact O-CG 3.45Å; F110-M114 PolarHBondContact O-N 3.26Å; F110-M114 VanDerWaalsContact O-N 3.09Å; F110-M182 HydrophobicContact CB-CE 3.86Å; F110-M182 HydrophobicContact CD1-CE 3.15Å; F110-M182 HydrophobicContact CD1-SD 4.48Å; F110-M182 HydrophobicContact CD2-CE 4.25Å; F110-M182 HydrophobicContact CE1-CE 3.71Å; F110-M182 HydrophobicContact CG-CE 3.49Å; F110-M182 VanDerWaalsContact CG-CE 3.49Å; F110-M182 HydrophobicContact CZ-CE 4.49Å
111L95.1Very high94.2Very high34 Ų3439.7 Ų39.718%0.17820%0.202CC..Hα-helixtrans-61.9-46.8178.7-68.8175.9000110.8K107 L108 G113 M114 Y115 F169 I178 M182K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.07Å; L108-L111 PolarHBondContact O-N 3.25Å; L111-G113 VanDerWaalsContact C-N 3.31Å; L111-G113 PolarHBondContact O-N 2.9Å; L111-M114 HydrophobicContact CD2-SD 4.11Å; L111-M114 WeakPolarHBondContact O-CA 3.21Å; L111-M114 VanDerWaalsContact O-CB 3.3Å; L111-M114 WeakPolarHBondContact O-CB 3.46Å; L111-M114 PolarHBondContact O-N 3.19Å; L111-Y115 WeakPolarHBondContact O-CD2 3.39Å; L111-Y115 PolarHBondContact O-N 2.86Å; L111-F169 HydrophobicContact CB-CE1 4.18Å; L111-F169 HydrophobicContact CB-CZ 4.01Å; L111-I178 HydrophobicContact CD1-CG2 3.41Å; L111-I178 VanDerWaalsContact CD1-CG2 3.41Å; L111-M182 HydrophobicContact CD1-SD 4.4Å; L111-M182 HydrophobicContact CD2-SD 4.14Å; L111-M182 HydrophobicContact CG-SD 3.98Å
112F96.3Very high94.3Very high13 Ų1340.6 Ų40.66%0.05721%0.206CC..Hα-helixtrans-54.2-47.9175.5-175-90000111.6L108 M114 Y115 D116 G121 I123 Y166 F169L108-F112 VanDerWaalsContact O-CB 3.29Å; L108-F112 WeakPolarHBondContact O-CB 3.42Å; L108-F112 PolarHBondContact O-N 2.95Å; F112-M114 PolarHBondContact O-N 3.12Å; F112-Y115 WeakPolarHBondContact O-CB 3.44Å; F112-Y115 PolarHBondContact O-N 3.45Å; F112-D116 HydrophobicContact CD1-CB 4.24Å; F112-D116 HydrophobicContact CE1-CB 3.91Å; F112-D116 PolarHBondContact O-N 3.42Å; F112-G121 VanDerWaalsContact CZ-O 3.29Å; F112-G121 WeakPolarHBondContact CZ-O 3.41Å; F112-I123 HydrophobicContact CD2-CD1 3.6Å; F112-I123 HydrophobicContact CD2-CG1 4.14Å; F112-I123 HydrophobicContact CE2-CD1 3.58Å; F112-I123 HydrophobicContact CE2-CG1 3.69Å; F112-I123 HydrophobicContact CG-CD1 4.45Å; F112-I123 HydrophobicContact CZ-CD1 4.39Å; F112-I123 HydrophobicContact CZ-CG1 4.04Å; F112-Y166 HydrophobicContact CB-CD2 4.05Å; F112-Y166 HydrophobicContact CB-CE2 4.32Å; F112-Y166 HydrophobicContact CD1-CD2 4.31Å; F112-Y166 AromaticContact CD2-CD2 3.98Å; F112-Y166 HydrophobicContact CD2-CD2 3.98Å; F112-Y166 AromaticContact CG-CD2 3.84Å; F112-Y166 HydrophobicContact CG-CD2 3.84Å; F112-F169 HydrophobicContact CB-CD1 4.18Å; F112-F169 HydrophobicContact CB-CE1 4.13Å; F112-F169 HydrophobicContact CB-CZ 4.46Å; F112-F169 HydrophobicContact CD2-CB 3.73Å; F112-F169 HydrophobicContact CD2-CD1 4.05Å; F112-F169 AromaticContact CD2-CD2 3.92Å; F112-F169 HydrophobicContact CD2-CD2 3.92Å; F112-F169 HydrophobicContact CD2-CE2 4.5Å; F112-F169 AromaticContact CD2-CG 3.65Å; F112-F169 HydrophobicContact CD2-CG 3.65Å; F112-F169 HydrophobicContact CE2-CB 4.09Å; F112-F169 HydrophobicContact CE2-CG 4.41Å
113G95.1Very high94.5Very high6 Ų640.7 Ų40.76%0.06221%0.206CC..Hα-helixtrans-66-16.6176.500000115.1E69 R109 F110 L111E69-G113 WeakPolarHBondContact OE2-CA 3.43Å; R109-G113 PolarHBondContact O-N 3.45Å; F110-G113 PolarHBondContact O-N 3.17Å; L111-G113 VanDerWaalsContact C-N 3.31Å; L111-G113 PolarHBondContact O-N 2.9Å
114M94.7Very high94.6Very high13 Ų1340 Ų406%0.06421%0.205CC..Hα-helixtrans-76.3-26.2168.6-68175.56100112.8L62 R65 I66 E69 F110 L111 F112L62-M114 HydrophobicContact CB-CE 4.09Å; L62-M114 HydrophobicContact CD1-CE 4.21Å; R65-M114 HydrophobicContact CB-CB 4.28Å; R65-M114 HydrophobicContact CB-CE 3.93Å; R65-M114 WeakPolarHBondContact CD-O 3.44Å; I66-M114 HydrophobicContact CG1-CE 3.74Å; I66-M114 HydrophobicContact CG1-SD 4.35Å; E69-M114 HydrophobicContact CB-CG 4.01Å; E69-M114 HydrophobicContact CG-CG 4.35Å; F110-M114 HydrophobicContact CD1-CG 4.05Å; F110-M114 HydrophobicContact CD1-SD 3.71Å; F110-M114 HydrophobicContact CE1-CG 3.87Å; F110-M114 HydrophobicContact CE1-SD 3.42Å; F110-M114 WeakPolarHBondContact CE1-SD 3.35Å; F110-M114 WeakPolarHBondContact O-CG 3.45Å; F110-M114 PolarHBondContact O-N 3.26Å; F110-M114 VanDerWaalsContact O-N 3.09Å; L111-M114 HydrophobicContact CD2-SD 4.11Å; L111-M114 WeakPolarHBondContact O-CA 3.21Å; L111-M114 VanDerWaalsContact O-CB 3.3Å; L111-M114 WeakPolarHBondContact O-CB 3.46Å; L111-M114 PolarHBondContact O-N 3.19Å; F112-M114 PolarHBondContact O-N 3.12Å
115Y94.8Very high94.8Very high37 Ų3740.8 Ų40.815%0.14521%0.208CC..Hα-helixtrans-86.6-46.3177.1-78.8-104.4000111.3L111 F112 L117 I123 E127 L128 M131 F169L111-Y115 WeakPolarHBondContact O-CD2 3.39Å; L111-Y115 PolarHBondContact O-N 2.86Å; F112-Y115 WeakPolarHBondContact O-CB 3.44Å; F112-Y115 PolarHBondContact O-N 3.45Å; Y115-L117 WeakPolarHBondContact O-CG 3.3Å; Y115-L117 PolarHBondContact O-N 3.08Å; Y115-I123 VanDerWaalsContact CB-CD1 3.47Å; Y115-I123 HydrophobicContact CD1-CD1 4.38Å; Y115-I123 HydrophobicContact CD1-CG2 4.26Å; Y115-I123 HydrophobicContact CG-CD1 3.99Å; Y115-E127 WeakPolarHBondContact O-CB 3.47Å; Y115-L128 HydrophobicContact CD1-CD1 4.35Å; Y115-L128 HydrophobicContact CE1-CD1 3.86Å; Y115-M131 HydrophobicContact CD1-CB 3.85Å; Y115-M131 HydrophobicContact CD1-CG 3.89Å; Y115-M131 HydrophobicContact CD2-CG 4.45Å; Y115-M131 HydrophobicContact CE1-CB 3.71Å; Y115-M131 HydrophobicContact CE1-CG 3.51Å; Y115-M131 HydrophobicContact CE2-CG 4.12Å; Y115-M131 HydrophobicContact CG-CG 4.35Å; Y115-F169 HydrophobicContact CD2-CE2 4.22Å; Y115-F169 HydrophobicContact CD2-CZ 4.47Å; Y115-F169 HydrophobicContact CE2-CE2 4.33Å; Y115-F169 HydrophobicContact CE2-CZ 4.48Å
116D95.1Very high94.8Very high5 Ų543.4 Ų43.43%0.02722%0.222CC..  trans-73.997.4178.6162.434.3000111K72 F112 M119 D120K72-D116 IonicContact NZ-OD2 2.64Å; K72-D116 PolarHBondContact NZ-OD2 2.81Å; F112-D116 HydrophobicContact CD1-CB 4.24Å; F112-D116 HydrophobicContact CE1-CB 3.91Å; F112-D116 PolarHBondContact O-N 3.42Å; D116-M119 WeakPolarHBondContact OD1-CA 3.45Å; D116-M119 PolarHBondContact OD1-N 3.02Å; D116-M119 WeakPolarHBondContact OD2-CA 3.34Å; D116-D120 PolarHBondContact OD1-N 3.3Å; D116-D120 VanDerWaalsContact OD1-N 3.16Å
117L90.3Very high94.8Very high65 Ų6543.7 Ų43.734%0.3422%0.222SC..SBendtrans-90.2-36.7-170.8-55.6-179.5000113.5R65 Y115 M119 E127R65-L117 VanDerWaalsContact CZ-CD1 3.43Å; R65-L117 VanDerWaalsContact CZ-CD2 3.41Å; Y115-L117 WeakPolarHBondContact O-CG 3.3Å; Y115-L117 PolarHBondContact O-N 3.08Å; L117-M119 VanDerWaalsContact C-N 3.28Å; L117-E127 HydrophobicContact CB-CG 4.47Å; L117-E127 WeakPolarHBondContact CB-OE1 3.23Å; L117-E127 HydrophobicContact CD1-CG 4.06Å; L117-E127 HydrophobicContact CG-CG 4.05Å; L117-E127 PolarHBondContact N-OE1 3.23Å
118D91.7Very high94.8Very high104 Ų10444.1 Ų44.156%0.55622%0.224SC*.SBendtrans-86.6-4.6178.666.211.6000112.6D120D118-D120 VanDerWaalsContact C-N 3.27Å; D118-D120 PolarHBondContact O-N 2.93Å; D118-D120 WeakPolarHBondContact OD1-CB 3.44Å; D118-D120 PolarHBondContact OD1-N 2.93Å; D118-D120 VanDerWaalsContact OD1-N 3.16Å
119M90Very high94.7Very high102 Ų10244.7 Ų44.750%0.50223%0.227SC..  trans65.529.4175.6-56.3179.443.300112.9K72 D116 L117 G121K72-M119 HydrophobicContact CD-CE 4.27Å; K72-M119 HydrophobicContact CD-SD 4.41Å; K72-M119 HydrophobicContact CG-CE 3.72Å; K72-M119 HydrophobicContact CG-SD 4.03Å; D116-M119 WeakPolarHBondContact OD1-CA 3.45Å; D116-M119 PolarHBondContact OD1-N 3.02Å; D116-M119 WeakPolarHBondContact OD2-CA 3.34Å; L117-M119 VanDerWaalsContact C-N 3.28Å; M119-G121 PolarHBondContact O-N 3.42Å
120D94.4Very high94.5Very high75 Ų7539.5 Ų39.540%0.40121%0.213SC..SBendtrans-81.3-5.3176.580.5-7.6000113D116 D118 K122D116-D120 PolarHBondContact OD1-N 3.3Å; D116-D120 VanDerWaalsContact OD1-N 3.16Å; D118-D120 VanDerWaalsContact C-N 3.27Å; D118-D120 PolarHBondContact O-N 2.93Å; D118-D120 WeakPolarHBondContact OD1-CB 3.44Å; D118-D120 PolarHBondContact OD1-N 2.93Å; D118-D120 VanDerWaalsContact OD1-N 3.16Å; D120-K122 VanDerWaalsContact CG-CG 3.42Å; D120-K122 WeakPolarHBondContact OD1-CG 3.5Å; D120-K122 PolarHBondContact OD1-N 2.96Å; D120-K122 VanDerWaalsContact OD1-O 3.05Å; D120-K122 WeakPolarHBondContact OD2-CE 3.25Å; D120-K122 VanDerWaalsContact OD2-CG 3.3Å; D120-K122 WeakPolarHBondContact OD2-CG 3.5Å
121G94.6Very high94.3Very high40 Ų4039.7 Ų39.741%0.41221%0.214SC..SBendtrans85.413.9174.300000114.2F112 M119F112-G121 VanDerWaalsContact CZ-O 3.29Å; F112-G121 WeakPolarHBondContact CZ-O 3.41Å; M119-G121 PolarHBondContact O-N 3.42Å
122K97.4Very high94.1Very high58 Ų5839.2 Ų39.225%0.25221%0.211SC..EExtended strand (participates in β ladder)trans-141.1160.2176.354.6-176.1-172.6166.40109.3D120 Y163D120-K122 VanDerWaalsContact CG-CG 3.42Å; D120-K122 WeakPolarHBondContact OD1-CG 3.5Å; D120-K122 PolarHBondContact OD1-N 2.96Å; D120-K122 VanDerWaalsContact OD1-O 3.05Å; D120-K122 WeakPolarHBondContact OD2-CE 3.25Å; D120-K122 VanDerWaalsContact OD2-CG 3.3Å; D120-K122 WeakPolarHBondContact OD2-CG 3.5Å; K122-Y163 HydrophobicContact CB-CD1 4.41Å; K122-Y163 HydrophobicContact CB-CG 4.4Å; K122-Y163 HydrophobicContact CD-CD1 3.54Å; K122-Y163 HydrophobicContact CD-CD2 3.98Å; K122-Y163 HydrophobicContact CD-CE1 4.04Å; K122-Y163 HydrophobicContact CD-CE2 4.47Å; K122-Y163 HydrophobicContact CD-CG 3.54Å; K122-Y163 HydrophobicContact CG-CD1 3.83Å; K122-Y163 HydrophobicContact CG-CG 4.12Å; K122-Y163 VanDerWaalsContact NZ-CE2 3.26Å
123I97.6Very high93.8Very high1 Ų143.9 Ų43.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-107.2114.6178.8-58.7164.2000107.4F112 Y115 E127 L128 Y163 I164 F169F112-I123 HydrophobicContact CD2-CD1 3.6Å; F112-I123 HydrophobicContact CD2-CG1 4.14Å; F112-I123 HydrophobicContact CE2-CD1 3.58Å; F112-I123 HydrophobicContact CE2-CG1 3.69Å; F112-I123 HydrophobicContact CG-CD1 4.45Å; F112-I123 HydrophobicContact CZ-CD1 4.39Å; F112-I123 HydrophobicContact CZ-CG1 4.04Å; Y115-I123 VanDerWaalsContact CB-CD1 3.47Å; Y115-I123 HydrophobicContact CD1-CD1 4.38Å; Y115-I123 HydrophobicContact CD1-CG2 4.26Å; Y115-I123 HydrophobicContact CG-CD1 3.99Å; I123-E127 HydrophobicContact CG2-CB 4.14Å; I123-L128 HydrophobicContact CG2-CB 4.22Å; I123-Y163 CarbonylContact O-C 3.53Å; I123-Y163 WeakPolarHBondContact O-CA 3.36Å; I123-I164 HydrophobicContact CB-CB 4.2Å; I123-I164 PolarHBondContact N-O 3.05Å; I123-I164 PolarHBondContact O-N 3.39Å; I123-F169 HydrophobicContact CD1-CD2 3.55Å; I123-F169 HydrophobicContact CD1-CE2 3.81Å; I123-F169 HydrophobicContact CD1-CG 4.49Å
124S96.6Very high93.4Very high23 Ų2346.3 Ų46.316%0.16124%0.244CC..EExtended strand (participates in β ladder)trans-74157.5171.968.90000111.5N126 E127 L128S124-N126 PolarHBondContact O-N 3.17Å; S124-E127 WeakPolarHBondContact CB-OE2 3.39Å; S124-E127 PolarHBondContact N-OE2 3.09Å; S124-E127 PolarHBondContact O-N 3.49Å; S124-E127 VanDerWaalsContact O-N 3.11Å; S124-E127 VanDerWaalsContact OG-CG 3.29Å; S124-E127 WeakPolarHBondContact OG-CG 3.49Å; S124-E127 PolarHBondContact OG-N 3.49Å; S124-E127 PolarHBondContact OG-OE2 2.98Å; S124-L128 PolarHBondContact O-N 2.87Å
125R95.3Very high93.1Very high78 Ų7850 Ų5029%0.29426%0.262SS..Hα-helixtrans-50.3-40.8170.3179.8-173.3175-75.6-7.6112.7L128 L129 N146 E150 M153R125-L128 PolarHBondContact O-N 3.45Å; R125-L129 HydrophobicContact CG-CD1 4.07Å; R125-L129 HydrophobicContact CG-CG 4.47Å; R125-L129 VanDerWaalsContact CZ-CD1 3.46Å; R125-L129 WeakPolarHBondContact O-CB 3.32Å; R125-L129 VanDerWaalsContact O-CG 3.25Å; R125-L129 WeakPolarHBondContact O-CG 3.49Å; R125-L129 PolarHBondContact O-N 2.91Å; R125-N146 PolarHBondContact NH2-OD1 3.11Å; R125-E150 IonicContact CZ-OE1 2.88Å; R125-E150 IonicContact NE-OE1 2.76Å; R125-E150 PolarHBondContact NE-OE1 3.42Å; R125-E150 IonicContact NH2-OE1 2.68Å; R125-E150 PolarHBondContact NH2-OE1 3.27Å; R125-M153 HydrophobicContact CB-CG 4.33Å; R125-M153 HydrophobicContact CB-SD 4.38Å; R125-M153 HydrophobicContact CG-CG 4.34Å
126N95.1Very high92.5Very high120 Ų12050.4 Ų50.464%0.64227%0.268SS*.Hα-helixtrans-67.8-37.9-178-71.5-23.7000111.9S124 G130S124-N126 PolarHBondContact O-N 3.17Å; N126-G130 PolarHBondContact O-N 3.2Å
127E95.7Very high91.7Very high14 Ų1451.9 Ų51.97%0.06528%0.284CS..Hα-helixtrans-68-43.8175.5-72.6166.6130.700111.8Y115 L117 I123 S124 L129 G130 M131Y115-E127 WeakPolarHBondContact O-CB 3.47Å; L117-E127 HydrophobicContact CB-CG 4.47Å; L117-E127 WeakPolarHBondContact CB-OE1 3.23Å; L117-E127 HydrophobicContact CD1-CG 4.06Å; L117-E127 HydrophobicContact CG-CG 4.05Å; L117-E127 PolarHBondContact N-OE1 3.23Å; I123-E127 HydrophobicContact CG2-CB 4.14Å; S124-E127 WeakPolarHBondContact CB-OE2 3.39Å; S124-E127 PolarHBondContact N-OE2 3.09Å; S124-E127 PolarHBondContact O-N 3.49Å; S124-E127 VanDerWaalsContact O-N 3.11Å; S124-E127 VanDerWaalsContact OG-CG 3.29Å; S124-E127 WeakPolarHBondContact OG-CG 3.49Å; S124-E127 PolarHBondContact OG-N 3.49Å; S124-E127 PolarHBondContact OG-OE2 2.98Å; E127-L129 PolarHBondContact O-N 3.29Å; E127-G130 PolarHBondContact O-N 2.88Å; E127-M131 WeakPolarHBondContact O-CB 3.3Å; E127-M131 PolarHBondContact O-N 3.37Å
128L94.5Very high91Very high8 Ų853.8 Ų53.84%0.04231%0.31CS..Hα-helixtrans-56.6-50.2173.9175.360.9000111.3Y115 I123 S124 R125 G130 M131 L132 T152 M153 I164Y115-L128 HydrophobicContact CD1-CD1 4.35Å; Y115-L128 HydrophobicContact CE1-CD1 3.86Å; I123-L128 HydrophobicContact CG2-CB 4.22Å; S124-L128 PolarHBondContact O-N 2.87Å; R125-L128 PolarHBondContact O-N 3.45Å; L128-G130 PolarHBondContact O-N 3.4Å; L128-M131 PolarHBondContact O-N 3.21Å; L128-L132 HydrophobicContact CD1-CD1 4.29Å; L128-L132 HydrophobicContact CD1-CG 4.33Å; L128-L132 HydrophobicContact CG-CD1 4.19Å; L128-L132 WeakPolarHBondContact O-CG 3.49Å; L128-L132 PolarHBondContact O-N 3.09Å; L128-T152 HydrophobicContact CD1-CG2 4.23Å; L128-T152 HydrophobicContact CD2-CG2 3.79Å; L128-M153 HydrophobicContact CD2-CG 3.87Å; L128-M153 HydrophobicContact CD2-SD 3.67Å; L128-I164 HydrophobicContact CD2-CD1 4.36Å
129L92.8Very high90.5Very high16 Ų1656.2 Ų56.28%0.08432%0.323CS..Hα-helixtrans-62.8-42.2178.4-71.2174.2000112.2R125 E127 M131 L132 Q133 I145 N146R125-L129 HydrophobicContact CG-CD1 4.07Å; R125-L129 HydrophobicContact CG-CG 4.47Å; R125-L129 VanDerWaalsContact CZ-CD1 3.46Å; R125-L129 WeakPolarHBondContact O-CB 3.32Å; R125-L129 VanDerWaalsContact O-CG 3.25Å; R125-L129 WeakPolarHBondContact O-CG 3.49Å; R125-L129 PolarHBondContact O-N 2.91Å; E127-L129 PolarHBondContact O-N 3.29Å; L129-M131 VanDerWaalsContact C-N 3.27Å; L129-M131 PolarHBondContact O-N 2.96Å; L129-L132 PolarHBondContact O-N 3.35Å; L129-Q133 WeakPolarHBondContact O-CB 3.29Å; L129-Q133 PolarHBondContact O-N 3.3Å; L129-I145 HydrophobicContact CD2-CG2 3.93Å; L129-I145 WeakPolarHBondContact CD2-O 3.33Å; L129-N146 WeakPolarHBondContact CD1-OD1 3.5Å
130G91.7Very high90.2Very high18 Ų1854.1 Ų54.119%0.18631%0.313CS..Hα-helixtrans-58.7-41.8174.800000111.5N126 E127 L128 Q133 M134N126-G130 PolarHBondContact O-N 3.2Å; E127-G130 PolarHBondContact O-N 2.88Å; L128-G130 PolarHBondContact O-N 3.4Å; G130-Q133 PolarHBondContact O-N 2.94Å; G130-M134 VanDerWaalsContact O-CG 3.31Å; G130-M134 WeakPolarHBondContact O-CG 3.3Å; G130-M134 PolarHBondContact O-N 2.79Å
131M91.6Very high89.9Confident3 Ų354.1 Ų54.12%0.01532%0.316CS..Hα-helixtrans-67.5-43.9177.1-167.576.5-82.400112.4L62 R65 Y115 E127 L128 L129 Q133 M134 M135L62-M131 HydrophobicContact CD2-CE 3.23Å; L62-M131 HydrophobicContact CG-CE 4.34Å; R65-M131 HydrophobicContact CG-CE 3.75Å; R65-M131 HydrophobicContact CG-SD 3.96Å; Y115-M131 HydrophobicContact CD1-CB 3.85Å; Y115-M131 HydrophobicContact CD1-CG 3.89Å; Y115-M131 HydrophobicContact CD2-CG 4.45Å; Y115-M131 HydrophobicContact CE1-CB 3.71Å; Y115-M131 HydrophobicContact CE1-CG 3.51Å; Y115-M131 HydrophobicContact CE2-CG 4.12Å; Y115-M131 HydrophobicContact CG-CG 4.35Å; E127-M131 WeakPolarHBondContact O-CB 3.3Å; E127-M131 PolarHBondContact O-N 3.37Å; L128-M131 PolarHBondContact O-N 3.21Å; L129-M131 VanDerWaalsContact C-N 3.27Å; L129-M131 PolarHBondContact O-N 2.96Å; M131-Q133 VanDerWaalsContact C-N 3.33Å; M131-Q133 PolarHBondContact O-N 2.96Å; M131-M134 HydrophobicContact CE-CB 3.8Å; M131-M134 HydrophobicContact CE-CG 4.33Å; M131-M134 HydrophobicContact CE-SD 3.74Å; M131-M134 PolarHBondContact O-N 3.31Å; M131-M135 HydrophobicContact CE-CG 4.48Å; M131-M135 HydrophobicContact CG-CE 3.87Å; M131-M135 WeakPolarHBondContact O-CG 3.31Å; M131-M135 PolarHBondContact O-N 3.46Å; M131-M135 VanDerWaalsContact O-N 3.07Å
132L90.2Very high89.6Confident24 Ų2457 Ų5713%0.12633%0.325CS..Hα-helixtrans-59.6-43.1175.2-71.9172.8000111.8L128 L129 M134 M135 V136 I145 I148L128-L132 HydrophobicContact CD1-CD1 4.29Å; L128-L132 HydrophobicContact CD1-CG 4.33Å; L128-L132 HydrophobicContact CG-CD1 4.19Å; L128-L132 WeakPolarHBondContact O-CG 3.49Å; L128-L132 PolarHBondContact O-N 3.09Å; L129-L132 PolarHBondContact O-N 3.35Å; L132-M134 VanDerWaalsContact C-N 3.32Å; L132-M134 PolarHBondContact O-N 3.44Å; L132-M135 HydrophobicContact CD2-CE 4.09Å; L132-M135 PolarHBondContact O-N 2.61Å; L132-V136 WeakPolarHBondContact O-CB 3.28Å; L132-V136 WeakPolarHBondContact O-CG2 3.49Å; L132-V136 PolarHBondContact O-N 2.82Å; L132-I145 HydrophobicContact CB-CG2 4.04Å; L132-I148 HydrophobicContact CD1-CB 4.45Å; L132-I148 HydrophobicContact CD1-CG2 3.88Å; L132-I148 HydrophobicContact CD2-CG2 4.31Å
133Q90Very high89.3Confident111 Ų11161 Ų6152%0.51935%0.345SS..Hα-helixtrans-61.9-39.8178.2-171173.111.600112.1L129 G130 M131 G137 I145L129-Q133 WeakPolarHBondContact O-CB 3.29Å; L129-Q133 PolarHBondContact O-N 3.3Å; G130-Q133 PolarHBondContact O-N 2.94Å; M131-Q133 VanDerWaalsContact C-N 3.33Å; M131-Q133 PolarHBondContact O-N 2.96Å; Q133-G137 PolarHBondContact O-N 2.76Å; Q133-G137 VanDerWaalsContact O-N 3.08Å; Q133-I145 HydrophobicContact CB-CD1 4.23Å; Q133-I145 HydrophobicContact CG-CD1 4.16Å
134M88.2Confident89.1Confident58 Ų5865.4 Ų65.429%0.28637%0.365SS..Hα-helixtrans-66.9-39.1175.6-66.5175.291.700112.4P61 L62 R65 G130 M131 L132P61-M134 VanDerWaalsContact CB-O 3.27Å; P61-M134 WeakPolarHBondContact CB-O 3.36Å; P61-M134 WeakPolarHBondContact O-CE 3.36Å; L62-M134 HydrophobicContact CD2-CB 4.3Å; R65-M134 HydrophobicContact CG-CE 4.21Å; R65-M134 HydrophobicContact CG-SD 4.06Å; R65-M134 PolarHBondContact NE-SD 3.17Å; G130-M134 VanDerWaalsContact O-CG 3.31Å; G130-M134 WeakPolarHBondContact O-CG 3.3Å; G130-M134 PolarHBondContact O-N 2.79Å; M131-M134 HydrophobicContact CE-CB 3.8Å; M131-M134 HydrophobicContact CE-CG 4.33Å; M131-M134 HydrophobicContact CE-SD 3.74Å; M131-M134 PolarHBondContact O-N 3.31Å; L132-M134 VanDerWaalsContact C-N 3.32Å; L132-M134 PolarHBondContact O-N 3.44Å
135M86.7Confident88.8Confident89 Ų8964.9 Ų64.944%0.43836%0.361SS..Hα-helixtrans-74.4-37.6-177.8-72.9-170-76.400113.5L62 M131 L132L62-M135 HydrophobicContact CD1-CG 4.47Å; L62-M135 HydrophobicContact CD2-CG 3.53Å; M131-M135 HydrophobicContact CE-CG 4.48Å; M131-M135 HydrophobicContact CG-CE 3.87Å; M131-M135 WeakPolarHBondContact O-CG 3.31Å; M131-M135 PolarHBondContact O-N 3.46Å; M131-M135 VanDerWaalsContact O-N 3.07Å; L132-M135 HydrophobicContact CD2-CE 4.09Å; L132-M135 PolarHBondContact O-N 2.61Å
136V84.2Confident88.7Confident47 Ų4763.5 Ų63.529%0.28536%0.359SS..Hα-helixtrans-90.9-29.1-172.6176.20000112.1L132 I140L132-V136 WeakPolarHBondContact O-CB 3.28Å; L132-V136 WeakPolarHBondContact O-CG2 3.49Å; L132-V136 PolarHBondContact O-N 2.82Å; V136-I140 HydrophobicContact CG1-CB 3.44Å; V136-I140 VanDerWaalsContact CG1-CB 3.44Å; V136-I140 HydrophobicContact CG1-CD1 3.31Å; V136-I140 HydrophobicContact CG1-CG1 3.23Å; V136-I140 HydrophobicContact CG1-CG2 4.36Å
137G77.1Confident88.7Confident35 Ų3561.6 Ų61.636%0.36135%0.349SS..G310 helixtrans66-155.1-178.600000113.3Q133 N139Q133-G137 PolarHBondContact O-N 2.76Å; Q133-G137 VanDerWaalsContact O-N 3.08Å; G137-N139 PolarHBondContact O-N 3.37Å
138A76.5Confident88.5Confident105 Ų10564.2 Ų64.287%0.86836%0.362SS*.G310 helixtrans-76.60.4-172.500000115.1I140A138-I140 VanDerWaalsContact C-N 3.28Å; A138-I140 PolarHBondContact O-N 3.32Å
139N79.9Confident88.4Confident156 Ų15663.8 Ų63.883%0.83436%0.36SS*.G310 helixtrans-79.8-9.5-174.9-69-23.8000113.8G137G137-N139 PolarHBondContact O-N 3.37Å
140I84.4Confident88.5Confident57 Ų5767.3 Ų67.329%0.29238%0.376SS..SBendtrans-128.5141-178.3-63.1-161.9000108.5V136 A138 Q144 I145V136-I140 HydrophobicContact CG1-CB 3.44Å; V136-I140 VanDerWaalsContact CG1-CB 3.44Å; V136-I140 HydrophobicContact CG1-CD1 3.31Å; V136-I140 HydrophobicContact CG1-CG1 3.23Å; V136-I140 HydrophobicContact CG1-CG2 4.36Å; A138-I140 VanDerWaalsContact C-N 3.28Å; A138-I140 PolarHBondContact O-N 3.32Å; I140-Q144 HydrophobicContact CG2-CB 3.28Å; I140-Q144 HydrophobicContact CG2-CG 4.26Å; I140-I145 HydrophobicContact CB-CG1 4.43Å; I140-I145 HydrophobicContact CG2-CG1 3.9Å
141T88.7Confident88.6Confident76 Ų7674.8 Ų74.847%0.46640%0.399SS..  trans-70154.6179.462.20000111.5E143 Q144 I145T141-E143 PolarHBondContact O-N 3.13Å; T141-Q144 PolarHBondContact O-N 3.25Å; T141-Q144 VanDerWaalsContact O-N 3.09Å; T141-Q144 WeakPolarHBondContact OG1-CB 3.29Å; T141-Q144 VanDerWaalsContact OG1-CD 3.31Å; T141-Q144 VanDerWaalsContact OG1-CG 3.23Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.44Å; T141-Q144 PolarHBondContact OG1-N 2.94Å; T141-Q144 PolarHBondContact OG1-OE1 3.22Å; T141-I145 WeakPolarHBondContact O-CG1 3.47Å; T141-I145 PolarHBondContact O-N 3.37Å
142V88Confident88.7Confident99 Ų9977 Ų7760%0.641%0.412SS*.Hα-helixtrans-56.7-36.2174.7178.10000111.4I145 N146V142-I145 PolarHBondContact O-N 3.24Å; V142-N146 PolarHBondContact O-N 2.91Å; V142-N146 PolarHBondContact O-ND2 3.14Å
143E91.2Very high89Confident143 Ų14376.4 Ų76.467%0.66841%0.409SS*.Hα-helixtrans-64.5-43.8176.2-172.1179.6174.200112.1T141 N146 N147T141-E143 PolarHBondContact O-N 3.13Å; E143-N146 PolarHBondContact O-N 3.48Å; E143-N147 VanDerWaalsContact O-CG 3.28Å; E143-N147 PolarHBondContact O-N 3.27Å; E143-N147 PolarHBondContact O-ND2 2.72Å
144Q92.2Very high89.2Confident94 Ų9475.1 Ų75.144%0.43942%0.417SS..Hα-helixtrans-65.8-39.1175.5-74.8166.2-4500112.3I140 T141 N146 N147 I148I140-Q144 HydrophobicContact CG2-CB 3.28Å; I140-Q144 HydrophobicContact CG2-CG 4.26Å; T141-Q144 PolarHBondContact O-N 3.25Å; T141-Q144 VanDerWaalsContact O-N 3.09Å; T141-Q144 WeakPolarHBondContact OG1-CB 3.29Å; T141-Q144 VanDerWaalsContact OG1-CD 3.31Å; T141-Q144 VanDerWaalsContact OG1-CG 3.23Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.44Å; T141-Q144 PolarHBondContact OG1-N 2.94Å; T141-Q144 PolarHBondContact OG1-OE1 3.22Å; Q144-N146 VanDerWaalsContact C-N 3.34Å; Q144-N147 PolarHBondContact O-N 2.77Å; Q144-I148 VanDerWaalsContact O-CG1 3.3Å; Q144-I148 WeakPolarHBondContact O-CG1 3.23Å; Q144-I148 PolarHBondContact O-N 2.89Å
145I91.6Very high89.5Confident12 Ų1279.6 Ų79.66%0.06244%0.437CS..Hα-helixtrans-61.9-44.6174.5-64.7169.3000110.2L129 L132 Q133 I140 T141 V142 N147 I148 G149L129-I145 HydrophobicContact CD2-CG2 3.93Å; L129-I145 WeakPolarHBondContact CD2-O 3.33Å; L132-I145 HydrophobicContact CB-CG2 4.04Å; Q133-I145 HydrophobicContact CB-CD1 4.23Å; Q133-I145 HydrophobicContact CG-CD1 4.16Å; I140-I145 HydrophobicContact CB-CG1 4.43Å; I140-I145 HydrophobicContact CG2-CG1 3.9Å; T141-I145 WeakPolarHBondContact O-CG1 3.47Å; T141-I145 PolarHBondContact O-N 3.37Å; V142-I145 PolarHBondContact O-N 3.24Å; I145-N147 PolarHBondContact O-N 3.22Å; I145-I148 PolarHBondContact O-N 2.99Å; I145-G149 PolarHBondContact O-N 2.93Å
146N93.1Very high89.9Confident49 Ų4975.7 Ų75.726%0.26242%0.42SS..Hα-helixtrans-58.1-48.8173.9-81.2-60.5000111.2R125 L129 V142 E143 Q144 I148 G149 E150R125-N146 PolarHBondContact NH2-OD1 3.11Å; L129-N146 WeakPolarHBondContact CD1-OD1 3.5Å; V142-N146 PolarHBondContact O-N 2.91Å; V142-N146 PolarHBondContact O-ND2 3.14Å; E143-N146 PolarHBondContact O-N 3.48Å; Q144-N146 VanDerWaalsContact C-N 3.34Å; N146-I148 VanDerWaalsContact C-N 3.29Å; N146-I148 PolarHBondContact O-N 3.16Å; N146-G149 PolarHBondContact O-N 3.41Å; N146-G149 VanDerWaalsContact O-N 3.12Å; N146-E150 WeakPolarHBondContact O-CG 3.38Å; N146-E150 PolarHBondContact O-N 3.29Å
147N93.6Very high90.5Very high79 Ų7974.7 Ų74.742%0.42241%0.413SS..Hα-helixtrans-61-36.1179.4-72.6-31.8000113.1E143 Q144 I145 R151E143-N147 VanDerWaalsContact O-CG 3.28Å; E143-N147 PolarHBondContact O-N 3.27Å; E143-N147 PolarHBondContact O-ND2 2.72Å; Q144-N147 PolarHBondContact O-N 2.77Å; I145-N147 PolarHBondContact O-N 3.22Å; N147-R151 VanDerWaalsContact O-CG 3.29Å; N147-R151 WeakPolarHBondContact O-CG 3.05Å; N147-R151 PolarHBondContact O-N 2.95Å
148I91.8Very high91.4Very high69 Ų6977.8 Ų77.835%0.35442%0.421SS..Hα-helixtrans-67.3-49.2173.4-67.2164.9000109.6L132 Q144 I145 N146 E150 R151 T152L132-I148 HydrophobicContact CD1-CB 4.45Å; L132-I148 HydrophobicContact CD1-CG2 3.88Å; L132-I148 HydrophobicContact CD2-CG2 4.31Å; Q144-I148 VanDerWaalsContact O-CG1 3.3Å; Q144-I148 WeakPolarHBondContact O-CG1 3.23Å; Q144-I148 PolarHBondContact O-N 2.89Å; I145-I148 PolarHBondContact O-N 2.99Å; N146-I148 VanDerWaalsContact C-N 3.29Å; N146-I148 PolarHBondContact O-N 3.16Å; I148-E150 PolarHBondContact O-N 3.2Å; I148-R151 PolarHBondContact O-N 2.87Å; I148-T152 PolarHBondContact O-N 2.95Å; I148-T152 PolarHBondContact O-OG1 3.33Å; I148-T152 VanDerWaalsContact O-OG1 3.07Å
149G93.4Very high92.4Very high0 Ų078.1 Ų78.10%041%0.407CS..Hα-helixtrans-59.4-44.3179.600000113.2I145 N146 R151 T152 M153I145-G149 PolarHBondContact O-N 2.93Å; N146-G149 PolarHBondContact O-N 3.41Å; N146-G149 VanDerWaalsContact O-N 3.12Å; G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 3.47Å; G149-T152 PolarHBondContact O-N 2.95Å; G149-M153 WeakPolarHBondContact O-CG 3.42Å; G149-M153 PolarHBondContact O-N 3.45Å
150E93.6Very high93Very high89 Ų8973.2 Ų73.242%0.41639%0.394SS..Hα-helixtrans-58-45.8175.6-69.8-51.9146.100112R125 N146 I148 M153 A154R125-E150 IonicContact CZ-OE1 2.88Å; R125-E150 IonicContact NE-OE1 2.76Å; R125-E150 PolarHBondContact NE-OE1 3.42Å; R125-E150 IonicContact NH2-OE1 2.68Å; R125-E150 PolarHBondContact NH2-OE1 3.27Å; N146-E150 WeakPolarHBondContact O-CG 3.38Å; N146-E150 PolarHBondContact O-N 3.29Å; I148-E150 PolarHBondContact O-N 3.2Å; E150-M153 PolarHBondContact O-N 3.02Å; E150-A154 WeakPolarHBondContact O-CB 3.34Å; E150-A154 PolarHBondContact O-N 2.94Å
151R94.7Very high93.6Very high176 Ų17674 Ų7466%0.66440%0.399SS*.Hα-helixtrans-65.9-43.8179.2-71.7174.8-175.9-172.21.3111.2N147 I148 G149 M153 A154 E155N147-R151 VanDerWaalsContact O-CG 3.29Å; N147-R151 WeakPolarHBondContact O-CG 3.05Å; N147-R151 PolarHBondContact O-N 2.95Å; I148-R151 PolarHBondContact O-N 2.87Å; G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 3.47Å; R151-M153 VanDerWaalsContact C-N 3.34Å; R151-M153 PolarHBondContact O-N 3.32Å; R151-A154 PolarHBondContact O-N 3.29Å; R151-E155 WeakPolarHBondContact O-CB 3.37Å; R151-E155 VanDerWaalsContact O-CG 3.29Å; R151-E155 WeakPolarHBondContact O-CG 3.25Å; R151-E155 PolarHBondContact O-N 2.9Å
152T93.9Very high93.9Very high48 Ų4874.6 Ų74.629%0.29441%0.405SS..Hα-helixtrans-62.6-41.3177-60.20000111.7L128 I148 G149 E155 A156L128-T152 HydrophobicContact CD1-CG2 4.23Å; L128-T152 HydrophobicContact CD2-CG2 3.79Å; I148-T152 PolarHBondContact O-N 2.95Å; I148-T152 PolarHBondContact O-OG1 3.33Å; I148-T152 VanDerWaalsContact O-OG1 3.07Å; G149-T152 PolarHBondContact O-N 2.95Å; T152-E155 PolarHBondContact O-N 3.5Å; T152-A156 VanDerWaalsContact O-CB 3.23Å; T152-A156 WeakPolarHBondContact O-CB 3.46Å; T152-A156 PolarHBondContact O-N 2.89Å
153M95.2Very high94.4Very high13 Ų1373.6 Ų73.66%0.06439%0.391CS..Hα-helixtrans-61.1-51.5173.1-71-59.2-59.300110.6R125 L128 G149 E150 R151 E155 A156 D157 C162 I164R125-M153 HydrophobicContact CB-CG 4.33Å; R125-M153 HydrophobicContact CB-SD 4.38Å; R125-M153 HydrophobicContact CG-CG 4.34Å; L128-M153 HydrophobicContact CD2-CG 3.87Å; L128-M153 HydrophobicContact CD2-SD 3.67Å; G149-M153 WeakPolarHBondContact O-CG 3.42Å; G149-M153 PolarHBondContact O-N 3.45Å; E150-M153 PolarHBondContact O-N 3.02Å; R151-M153 VanDerWaalsContact C-N 3.34Å; R151-M153 PolarHBondContact O-N 3.32Å; M153-E155 PolarHBondContact O-N 3.22Å; M153-E155 VanDerWaalsContact O-N 3.15Å; M153-A156 PolarHBondContact O-N 3.12Å; M153-A156 VanDerWaalsContact O-N 3.15Å; M153-D157 HydrophobicContact CE-CB 4.42Å; M153-D157 VanDerWaalsContact O-CB 3.24Å; M153-D157 WeakPolarHBondContact O-CB 3.39Å; M153-D157 PolarHBondContact O-N 3.3Å; M153-C162 VanDerWaalsContact CE-O 3.25Å; M153-C162 WeakPolarHBondContact CE-O 3.37Å; M153-I164 HydrophobicContact CE-CG1 4.09Å; M153-I164 HydrophobicContact SD-CD1 3.76Å; M153-I164 HydrophobicContact SD-CG1 3.91Å
154A94.7Very high94.7Very high83 Ų8367.1 Ų67.169%0.68636%0.361SS*.Hα-helixtrans-62.2-24.2-178.900000114.3E150 R151E150-A154 WeakPolarHBondContact O-CB 3.34Å; E150-A154 PolarHBondContact O-N 2.94Å; R151-A154 PolarHBondContact O-N 3.29Å
155E94.7Very high94.9Very high152 Ų15264.4 Ų64.471%0.7135%0.352SS*.Hα-helixtrans-87.4-30.8176.5-73.6172.8-170.500113.2R151 T152 M153R151-E155 WeakPolarHBondContact O-CB 3.37Å; R151-E155 VanDerWaalsContact O-CG 3.29Å; R151-E155 WeakPolarHBondContact O-CG 3.25Å; R151-E155 PolarHBondContact O-N 2.9Å; T152-E155 PolarHBondContact O-N 3.5Å; M153-E155 PolarHBondContact O-N 3.22Å; M153-E155 VanDerWaalsContact O-N 3.15Å
156A95.8Very high95.2Very high8 Ų865.9 Ų65.97%0.06636%0.357CS..Hα-helixtrans-101.4-34.5-172.200000114.1T152 M153 L158 I164 E168 A172T152-A156 VanDerWaalsContact O-CB 3.23Å; T152-A156 WeakPolarHBondContact O-CB 3.46Å; T152-A156 PolarHBondContact O-N 2.89Å; M153-A156 PolarHBondContact O-N 3.12Å; M153-A156 VanDerWaalsContact O-N 3.15Å; A156-L158 PolarHBondContact O-N 3.44Å; A156-I164 HydrophobicContact CB-CD1 3.75Å; A156-I164 HydrophobicContact CB-CG1 4Å; A156-I164 HydrophobicContact CB-CG2 4.38Å; A156-E168 VanDerWaalsContact O-CB 3.3Å; A156-E168 WeakPolarHBondContact O-CB 3.29Å; A156-E168 WeakPolarHBondContact O-CG 3.3Å; A156-A172 HydrophobicContact CB-CB 4.36Å
157D96.6Very high95.5Very high26 Ų2667 Ų6714%0.13937%0.373CS..  trans-76.799.6174.7176.44.5000108.6M153 G160 D161 C162 Y163M153-D157 HydrophobicContact CE-CB 4.42Å; M153-D157 VanDerWaalsContact O-CB 3.24Å; M153-D157 WeakPolarHBondContact O-CB 3.39Å; M153-D157 PolarHBondContact O-N 3.3Å; D157-G160 WeakPolarHBondContact OD1-CA 3.28Å; D157-G160 PolarHBondContact OD1-N 2.9Å; D157-D161 PolarHBondContact OD1-N 3.23Å; D157-C162 WeakPolarHBondContact OD2-CA 3.49Å; D157-C162 PolarHBondContact OD2-N 3.32Å; D157-Y163 WeakPolarHBondContact CB-O 3.01Å
158L95.8Very high95.7Very high100 Ų10063.8 Ų63.852%0.52436%0.355SS..SBendtrans-93.8-23.6-172.3-61.9-178.2000112.5A156 E168 Q171A156-L158 PolarHBondContact O-N 3.44Å; L158-E168 HydrophobicContact CB-CG 4.34Å; L158-E168 HydrophobicContact CD1-CG 4.43Å; L158-E168 HydrophobicContact CG-CG 4.27Å; L158-E168 PolarHBondContact N-OE1 3.07Å; L158-Q171 VanDerWaalsContact CD1-CD 3.49Å
159D96.6Very high95.9Very high111 Ų11160.8 Ų60.859%0.59434%0.34SS*.SBendtrans-96.7-12.1177.673.914.1000113.8D161 E168D159-D161 VanDerWaalsContact OD1-CB 3.32Å; D159-D161 WeakPolarHBondContact OD1-CB 3.46Å; D159-D161 PolarHBondContact OD1-N 3.42Å; D159-E168 PolarHBondContact N-OE1 2.98Å
160G93.8Very high96.1Very high53 Ų5363 Ų6355%0.54635%0.353SS..  trans80.920.8174.100000113.9D157 C162D157-G160 WeakPolarHBondContact OD1-CA 3.28Å; D157-G160 PolarHBondContact OD1-N 2.9Å; G160-C162 PolarHBondContact O-N 2.81Å
161D96.7Very high96.2Very high74 Ų7464.6 Ų64.640%0.39636%0.361SS..SBendtrans-79.4-0.8-18088.2-11.1000114.1D157 D159 Y163D157-D161 PolarHBondContact OD1-N 3.23Å; D159-D161 VanDerWaalsContact OD1-CB 3.32Å; D159-D161 WeakPolarHBondContact OD1-CB 3.46Å; D159-D161 PolarHBondContact OD1-N 3.42Å; D161-Y163 VanDerWaalsContact C-N 3.31Å; D161-Y163 WeakPolarHBondContact O-CD2 3.38Å; D161-Y163 WeakPolarHBondContact O-CE2 3.44Å; D161-Y163 WeakPolarHBondContact OD1-CA 2.82Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.3Å; D161-Y163 PolarHBondContact OD1-N 3.38Å
162C94.9Very high96.2Very high88 Ų8859.1 Ų59.160%0.59535%0.353SS*.SBendtrans71.716.1-176.9-56.90000115M153 D157 G160M153-C162 VanDerWaalsContact CE-O 3.25Å; M153-C162 WeakPolarHBondContact CE-O 3.37Å; D157-C162 WeakPolarHBondContact OD2-CA 3.49Å; D157-C162 PolarHBondContact OD2-N 3.32Å; G160-C162 PolarHBondContact O-N 2.81Å
163Y97.6Very high96.2Very high78 Ų7859.1 Ų59.131%0.30635%0.349SS..EExtended strand (participates in β ladder)trans-125.3167.8172.3-55.8-94.2000110.5K122 I123 D157 D161K122-Y163 HydrophobicContact CB-CD1 4.41Å; K122-Y163 HydrophobicContact CB-CG 4.4Å; K122-Y163 HydrophobicContact CD-CD1 3.54Å; K122-Y163 HydrophobicContact CD-CD2 3.98Å; K122-Y163 HydrophobicContact CD-CE1 4.04Å; K122-Y163 HydrophobicContact CD-CE2 4.47Å; K122-Y163 HydrophobicContact CD-CG 3.54Å; K122-Y163 HydrophobicContact CG-CD1 3.83Å; K122-Y163 HydrophobicContact CG-CG 4.12Å; K122-Y163 VanDerWaalsContact NZ-CE2 3.26Å; I123-Y163 CarbonylContact O-C 3.53Å; I123-Y163 WeakPolarHBondContact O-CA 3.36Å; D157-Y163 WeakPolarHBondContact CB-O 3.01Å; D161-Y163 VanDerWaalsContact C-N 3.31Å; D161-Y163 WeakPolarHBondContact O-CD2 3.38Å; D161-Y163 WeakPolarHBondContact O-CE2 3.44Å; D161-Y163 WeakPolarHBondContact OD1-CA 2.82Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.3Å; D161-Y163 PolarHBondContact OD1-N 3.38Å
164I97.9Very high96Very high8 Ų863.6 Ų63.64%0.04137%0.373CS..EExtended strand (participates in β ladder)trans-111.5108.4167.8-56.2169.4000107.1I123 L128 M153 A156 E168 F169I123-I164 HydrophobicContact CB-CB 4.2Å; I123-I164 PolarHBondContact N-O 3.05Å; I123-I164 PolarHBondContact O-N 3.39Å; L128-I164 HydrophobicContact CD2-CD1 4.36Å; M153-I164 HydrophobicContact CE-CG1 4.09Å; M153-I164 HydrophobicContact SD-CD1 3.76Å; M153-I164 HydrophobicContact SD-CG1 3.91Å; A156-I164 HydrophobicContact CB-CD1 3.75Å; A156-I164 HydrophobicContact CB-CG1 4Å; A156-I164 HydrophobicContact CB-CG2 4.38Å; I164-E168 HydrophobicContact CG2-CB 3.9Å; I164-F169 HydrophobicContact CG2-CB 4.06Å
165S97.9Very high95.8Very high36 Ų3667.2 Ų67.225%0.25238%0.381SS..EExtended strand (participates in β ladder)trans-68.5166172.669.60000111.5A167 E168 F169S165-A167 PolarHBondContact O-N 3.12Å; S165-E168 VanDerWaalsContact CB-OE2 3.27Å; S165-E168 WeakPolarHBondContact CB-OE2 3.33Å; S165-E168 PolarHBondContact N-OE2 2.78Å; S165-E168 PolarHBondContact O-N 3.1Å; S165-E168 WeakPolarHBondContact OG-CG 3.41Å; S165-E168 PolarHBondContact OG-N 3.41Å; S165-E168 PolarHBondContact OG-OE2 3.49Å; S165-F169 WeakPolarHBondContact O-CB 3.27Å; S165-F169 PolarHBondContact O-N 3.21Å
166Y97.9Very high95.6Very high44 Ų4462 Ų6217%0.17336%0.36CS..Hα-helixtrans-59.3-36.3174.2-178.7-108.6000112.7D105 L108 R109 F112 F169 V170D105-Y166 PolarHBondContact O-OH 3.19Å; D105-Y166 PolarHBondContact OD1-OH 2.74Å; L108-Y166 HydrophobicContact CB-CE2 4.4Å; R109-Y166 HydrophobicContact CB-CE2 4.42Å; R109-Y166 HydrophobicContact CG-CE1 4.42Å; R109-Y166 HydrophobicContact CG-CE2 3.65Å; R109-Y166 VanDerWaalsContact CG-OH 3.3Å; R109-Y166 WeakPolarHBondContact CG-OH 3.36Å; F112-Y166 HydrophobicContact CB-CD2 4.05Å; F112-Y166 HydrophobicContact CB-CE2 4.32Å; F112-Y166 HydrophobicContact CD1-CD2 4.31Å; F112-Y166 AromaticContact CD2-CD2 3.98Å; F112-Y166 HydrophobicContact CD2-CD2 3.98Å; F112-Y166 AromaticContact CG-CD2 3.84Å; F112-Y166 HydrophobicContact CG-CD2 3.84Å; Y166-F169 PolarHBondContact O-N 3.32Å; Y166-V170 HydrophobicContact CD1-CG2 4.21Å; Y166-V170 HydrophobicContact CD2-CG2 4.44Å; Y166-V170 HydrophobicContact CE1-CG2 3.7Å; Y166-V170 HydrophobicContact CE2-CG2 3.94Å; Y166-V170 VanDerWaalsContact O-CG2 3.28Å; Y166-V170 WeakPolarHBondContact O-CG2 3.29Å; Y166-V170 PolarHBondContact O-N 3.47Å
167A97.6Very high95.3Very high71 Ų7165.5 Ų65.559%0.58738%0.377SS*.Hα-helixtrans-65.3-45.5-18000000111.4S165 V170 Q171S165-A167 PolarHBondContact O-N 3.12Å; A167-V170 PolarHBondContact O-N 3.01Å; A167-Q171 PolarHBondContact O-N 2.67Å; A167-Q171 VanDerWaalsContact O-N 3.1Å
168E98.1Very high95Very high12 Ų1264.5 Ų64.56%0.05637%0.371CS..Hα-helixtrans-64.9-41.1175.4-73.9161.6145.200112A156 L158 D159 I164 S165 V170 Q171 A172A156-E168 VanDerWaalsContact O-CB 3.3Å; A156-E168 WeakPolarHBondContact O-CB 3.29Å; A156-E168 WeakPolarHBondContact O-CG 3.3Å; L158-E168 HydrophobicContact CB-CG 4.34Å; L158-E168 HydrophobicContact CD1-CG 4.43Å; L158-E168 HydrophobicContact CG-CG 4.27Å; L158-E168 PolarHBondContact N-OE1 3.07Å; D159-E168 PolarHBondContact N-OE1 2.98Å; I164-E168 HydrophobicContact CG2-CB 3.9Å; S165-E168 VanDerWaalsContact CB-OE2 3.27Å; S165-E168 WeakPolarHBondContact CB-OE2 3.33Å; S165-E168 PolarHBondContact N-OE2 2.78Å; S165-E168 PolarHBondContact O-N 3.1Å; S165-E168 WeakPolarHBondContact OG-CG 3.41Å; S165-E168 PolarHBondContact OG-N 3.41Å; S165-E168 PolarHBondContact OG-OE2 3.49Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.16Å; E168-Q171 WeakPolarHBondContact O-CB 3.37Å; E168-Q171 PolarHBondContact O-N 2.64Å; E168-Q171 VanDerWaalsContact O-N 3.12Å; E168-A172 WeakPolarHBondContact O-CB 3.44Å; E168-A172 PolarHBondContact O-N 2.87Å
169F97.1Very high94.6Very high7 Ų761.7 Ų61.73%0.03136%0.356CS..Hα-helixtrans-58.4-45.5174.6-171.7-91.6000111.4L108 L111 F112 Y115 I123 I164 S165 Y166 Q171 A172 F173L108-F169 HydrophobicContact CD2-CD1 4.39Å; L108-F169 HydrophobicContact CD2-CE1 4.04Å; L111-F169 HydrophobicContact CB-CE1 4.18Å; L111-F169 HydrophobicContact CB-CZ 4.01Å; F112-F169 HydrophobicContact CB-CD1 4.18Å; F112-F169 HydrophobicContact CB-CE1 4.13Å; F112-F169 HydrophobicContact CB-CZ 4.46Å; F112-F169 HydrophobicContact CD2-CB 3.73Å; F112-F169 HydrophobicContact CD2-CD1 4.05Å; F112-F169 AromaticContact CD2-CD2 3.92Å; F112-F169 HydrophobicContact CD2-CD2 3.92Å; F112-F169 HydrophobicContact CD2-CE2 4.5Å; F112-F169 AromaticContact CD2-CG 3.65Å; F112-F169 HydrophobicContact CD2-CG 3.65Å; F112-F169 HydrophobicContact CE2-CB 4.09Å; F112-F169 HydrophobicContact CE2-CG 4.41Å; Y115-F169 HydrophobicContact CD2-CE2 4.22Å; Y115-F169 HydrophobicContact CD2-CZ 4.47Å; Y115-F169 HydrophobicContact CE2-CE2 4.33Å; Y115-F169 HydrophobicContact CE2-CZ 4.48Å; I123-F169 HydrophobicContact CD1-CD2 3.55Å; I123-F169 HydrophobicContact CD1-CE2 3.81Å; I123-F169 HydrophobicContact CD1-CG 4.49Å; I164-F169 HydrophobicContact CG2-CB 4.06Å; S165-F169 WeakPolarHBondContact O-CB 3.27Å; S165-F169 PolarHBondContact O-N 3.21Å; Y166-F169 PolarHBondContact O-N 3.32Å; F169-Q171 VanDerWaalsContact C-N 3.28Å; F169-Q171 PolarHBondContact O-N 2.9Å; F169-A172 PolarHBondContact O-N 3.3Å; F169-F173 AromaticContact CD1-CD2 3.89Å; F169-F173 HydrophobicContact CD1-CD2 3.89Å; F169-F173 HydrophobicContact CD1-CE2 4.23Å; F169-F173 HydrophobicContact CD2-CD2 4.22Å; F169-F173 AromaticContact CD2-CE2 3.93Å; F169-F173 HydrophobicContact CD2-CE2 3.93Å; F169-F173 AromaticContact CE1-CD2 3.65Å; F169-F173 HydrophobicContact CE1-CD2 3.65Å; F169-F173 AromaticContact CE1-CE2 3.7Å; F169-F173 HydrophobicContact CE1-CE2 3.7Å; F169-F173 HydrophobicContact CE1-CG 4.49Å; F169-F173 HydrophobicContact CE2-CD2 4.02Å; F169-F173 AromaticContact CE2-CE2 3.38Å; F169-F173 HydrophobicContact CE2-CE2 3.38Å; F169-F173 HydrophobicContact CE2-CZ 4.27Å; F169-F173 HydrophobicContact CG-CD2 4.17Å; F169-F173 HydrophobicContact CG-CE2 4.34Å; F169-F173 AromaticContact CZ-CD2 3.72Å; F169-F173 HydrophobicContact CZ-CD2 3.72Å; F169-F173 AromaticContact CZ-CE2 3.24Å; F169-F173 HydrophobicContact CZ-CE2 3.24Å; F169-F173 AromaticContact CZ-CZ 3.94Å; F169-F173 HydrophobicContact CZ-CZ 3.94Å; F169-F173 VanDerWaalsContact O-CD2 3.31Å; F169-F173 WeakPolarHBondContact O-CD2 3.42Å; F169-F173 PolarHBondContact O-N 2.82Å; F169-F173 VanDerWaalsContact O-N 3.13Å
170V96.8Very high93.9Very high45 Ų4559.7 Ų59.727%0.27334%0.343SS..Hα-helixtrans-59.1-42.4175.9170.50000111L108 Y166 A167 E168 F173 D174L108-V170 HydrophobicContact CD1-CG1 4.27Å; L108-V170 HydrophobicContact CD1-CG2 4.08Å; Y166-V170 HydrophobicContact CD1-CG2 4.21Å; Y166-V170 HydrophobicContact CD2-CG2 4.44Å; Y166-V170 HydrophobicContact CE1-CG2 3.7Å; Y166-V170 HydrophobicContact CE2-CG2 3.94Å; Y166-V170 VanDerWaalsContact O-CG2 3.28Å; Y166-V170 WeakPolarHBondContact O-CG2 3.29Å; Y166-V170 PolarHBondContact O-N 3.47Å; A167-V170 PolarHBondContact O-N 3.01Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.16Å; V170-F173 PolarHBondContact O-N 2.91Å; V170-D174 PolarHBondContact O-N 2.95Å
171Q95.8Very high93.6Very high124 Ų12465.1 Ų65.158%0.57935%0.351SS*.Hα-helixtrans-66.8-41.7178.6-173.1169.7-4.400112.5L158 A167 E168 F169 F173 D174L158-Q171 VanDerWaalsContact CD1-CD 3.49Å; A167-Q171 PolarHBondContact O-N 2.67Å; A167-Q171 VanDerWaalsContact O-N 3.1Å; E168-Q171 WeakPolarHBondContact O-CB 3.37Å; E168-Q171 PolarHBondContact O-N 2.64Å; E168-Q171 VanDerWaalsContact O-N 3.12Å; F169-Q171 VanDerWaalsContact C-N 3.28Å; F169-Q171 PolarHBondContact O-N 2.9Å; Q171-F173 PolarHBondContact O-N 3.41Å; Q171-D174 VanDerWaalsContact O-CB 3.28Å; Q171-D174 WeakPolarHBondContact O-CB 3.23Å; Q171-D174 PolarHBondContact O-N 3.43Å; Q171-D174 VanDerWaalsContact O-N 3.14Å
172A94.2Very high93.2Very high60 Ų6062.4 Ų62.450%0.49634%0.336SS..Hα-helixtrans-61.3-29.817600000112.3A156 E168 F169A156-A172 HydrophobicContact CB-CB 4.36Å; E168-A172 WeakPolarHBondContact O-CB 3.44Å; E168-A172 PolarHBondContact O-N 2.87Å; F169-A172 PolarHBondContact O-N 3.3Å
173F94Very high92.9Very high49 Ų4960.1 Ų60.122%0.21532%0.321CS..THydrogen-bonded Turntrans-94.83.4179.1-82.9-83000114.4R104 L108 F169 V170 Q171 N175 V176 I178R104-F173 PolarHBondContact NH2-O 3.3Å; L108-F173 HydrophobicContact CD2-CB 3.69Å; L108-F173 HydrophobicContact CD2-CD2 4.48Å; L108-F173 HydrophobicContact CD2-CG 4.02Å; F169-F173 AromaticContact CD1-CD2 3.89Å; F169-F173 HydrophobicContact CD1-CD2 3.89Å; F169-F173 HydrophobicContact CD1-CE2 4.23Å; F169-F173 HydrophobicContact CD2-CD2 4.22Å; F169-F173 AromaticContact CD2-CE2 3.93Å; F169-F173 HydrophobicContact CD2-CE2 3.93Å; F169-F173 AromaticContact CE1-CD2 3.65Å; F169-F173 HydrophobicContact CE1-CD2 3.65Å; F169-F173 AromaticContact CE1-CE2 3.7Å; F169-F173 HydrophobicContact CE1-CE2 3.7Å; F169-F173 HydrophobicContact CE1-CG 4.49Å; F169-F173 HydrophobicContact CE2-CD2 4.02Å; F169-F173 AromaticContact CE2-CE2 3.38Å; F169-F173 HydrophobicContact CE2-CE2 3.38Å; F169-F173 HydrophobicContact CE2-CZ 4.27Å; F169-F173 HydrophobicContact CG-CD2 4.17Å; F169-F173 HydrophobicContact CG-CE2 4.34Å; F169-F173 AromaticContact CZ-CD2 3.72Å; F169-F173 HydrophobicContact CZ-CD2 3.72Å; F169-F173 AromaticContact CZ-CE2 3.24Å; F169-F173 HydrophobicContact CZ-CE2 3.24Å; F169-F173 AromaticContact CZ-CZ 3.94Å; F169-F173 HydrophobicContact CZ-CZ 3.94Å; F169-F173 VanDerWaalsContact O-CD2 3.31Å; F169-F173 WeakPolarHBondContact O-CD2 3.42Å; F169-F173 PolarHBondContact O-N 2.82Å; F169-F173 VanDerWaalsContact O-N 3.13Å; V170-F173 PolarHBondContact O-N 2.91Å; Q171-F173 PolarHBondContact O-N 3.41Å; F173-N175 VanDerWaalsContact C-N 3.32Å; F173-N175 PolarHBondContact O-N 3.49Å; F173-V176 HydrophobicContact CD1-CB 4.03Å; F173-V176 HydrophobicContact CD1-CG1 4.26Å; F173-V176 HydrophobicContact CD1-CG2 4.11Å; F173-V176 WeakPolarHBondContact O-CB 3.29Å; F173-V176 PolarHBondContact O-N 2.69Å; F173-I178 HydrophobicContact CB-CD1 3.89Å; F173-I178 HydrophobicContact CD1-CD1 3.32Å; F173-I178 HydrophobicContact CE1-CD1 4.19Å; F173-I178 HydrophobicContact CG-CD1 3.97Å
174D91.9Very high92.3Very high106 Ų10661.1 Ų61.157%0.56733%0.331SS*.THydrogen-bonded Turntrans-54.1-44.9-172.3-166.944.9000113R104 V170 Q171 V176R104-D174 PolarHBondContact NH2-O 2.84Å; V170-D174 PolarHBondContact O-N 2.95Å; Q171-D174 VanDerWaalsContact O-CB 3.28Å; Q171-D174 WeakPolarHBondContact O-CB 3.23Å; Q171-D174 PolarHBondContact O-N 3.43Å; Q171-D174 VanDerWaalsContact O-N 3.14Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 2.76Å
175N89.9Confident91.4Very high160 Ų16070.2 Ų70.286%0.85637%0.365SS*.THydrogen-bonded Turntrans-87.910.3-179.8-65-58000114.4F173F173-N175 VanDerWaalsContact C-N 3.32Å; F173-N175 PolarHBondContact O-N 3.49Å
176V90.7Very high90.3Very high43 Ų4370.6 Ų70.626%0.26136%0.362SS..SBendtrans-106.2127.6179.6-172.90000110R104 F173 D174 I178 K181R104-V176 PolarHBondContact NH1-O 3.3Å; F173-V176 HydrophobicContact CD1-CB 4.03Å; F173-V176 HydrophobicContact CD1-CG1 4.26Å; F173-V176 HydrophobicContact CD1-CG2 4.11Å; F173-V176 WeakPolarHBondContact O-CB 3.29Å; F173-V176 PolarHBondContact O-N 2.69Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 2.76Å; V176-I178 VanDerWaalsContact C-N 3.26Å; V176-I178 HydrophobicContact CB-CD1 3.62Å; V176-I178 HydrophobicContact CG1-CD1 3.62Å; V176-I178 WeakPolarHBondContact O-CD1 3.3Å; V176-I178 WeakPolarHBondContact O-CG1 3.4Å; V176-I178 PolarHBondContact O-N 3.34Å; V176-K181 HydrophobicContact CG1-CD 4.03Å
177D90.2Very high89Confident81 Ų8169.2 Ų69.243%0.43336%0.357SS..  trans-76.275.7174-174.3-5.3000110.9E179 Q180 K181D177-E179 PolarHBondContact O-N 2.91Å; D177-E179 PolarHBondContact OD1-N 3.3Å; D177-Q180 WeakPolarHBondContact OD1-CG 3.14Å; D177-Q180 PolarHBondContact OD1-N 3.01Å; D177-Q180 WeakPolarHBondContact OD2-CG 3.33Å; D177-K181 WeakPolarHBondContact O-CB 3.39Å; D177-K181 WeakPolarHBondContact O-CG 3.25Å; D177-K181 PolarHBondContact O-N 3.42Å
178I89.9Confident87.1Confident4 Ų475 Ų752%0.02137%0.372CS..Hα-helixtrans-64.4-31.7178.2-28.8-64.8000110.5K107 L108 L111 F173 V176 Q180 K181 M182K107-I178 HydrophobicContact CB-CG2 4.25Å; L108-I178 HydrophobicContact CD2-CD1 4.06Å; L108-I178 HydrophobicContact CD2-CG1 3.85Å; L108-I178 HydrophobicContact CG-CG1 4.35Å; L111-I178 HydrophobicContact CD1-CG2 3.41Å; L111-I178 VanDerWaalsContact CD1-CG2 3.41Å; F173-I178 HydrophobicContact CB-CD1 3.89Å; F173-I178 HydrophobicContact CD1-CD1 3.32Å; F173-I178 HydrophobicContact CE1-CD1 4.19Å; F173-I178 HydrophobicContact CG-CD1 3.97Å; V176-I178 VanDerWaalsContact C-N 3.26Å; V176-I178 HydrophobicContact CB-CD1 3.62Å; V176-I178 HydrophobicContact CG1-CD1 3.62Å; V176-I178 WeakPolarHBondContact O-CD1 3.3Å; V176-I178 WeakPolarHBondContact O-CG1 3.4Å; V176-I178 PolarHBondContact O-N 3.34Å; I178-Q180 VanDerWaalsContact C-N 3.31Å; I178-Q180 PolarHBondContact O-N 3.15Å; I178-K181 PolarHBondContact O-N 2.96Å; I178-M182 HydrophobicContact CG2-CB 4.24Å; I178-M182 WeakPolarHBondContact O-CB 3.46Å; I178-M182 PolarHBondContact O-N 2.84Å
179E86.7Confident86.6Confident41 Ų4178.1 Ų78.119%0.19239%0.388CS..Hα-helixtrans-61.4-40.5-176.1-6689.2151.100111.5V93 R104 D177V93-E179 HydrophobicContact CB-CB 4.22Å; V93-E179 HydrophobicContact CB-CG 4.21Å; V93-E179 HydrophobicContact CG2-CB 4.09Å; V93-E179 HydrophobicContact CG2-CG 3.95Å; R104-E179 HydrophobicContact CB-CG 4.47Å; R104-E179 WeakPolarHBondContact CB-OE1 3.18Å; R104-E179 VanDerWaalsContact CD-OE1 3.25Å; R104-E179 WeakPolarHBondContact CD-OE1 3.36Å; R104-E179 VanDerWaalsContact CG-OE1 3.3Å; R104-E179 WeakPolarHBondContact CG-OE1 3.31Å; R104-E179 IonicContact NH1-OE1 3.32Å; R104-E179 PolarHBondContact NH1-OE1 2.62Å; R104-E179 IonicContact NH1-OE2 3.8Å; R104-E179 PolarHBondContact NH1-OE2 3.15Å; D177-E179 PolarHBondContact O-N 2.91Å; D177-E179 PolarHBondContact OD1-N 3.3Å
180Q83.2Confident86Confident70 Ų7081.8 Ų81.833%0.32741%0.407SS..Hα-helixtrans-82.6-44.6171.2-60.6-49-50.300112.6D177 I178 M182 S183D177-Q180 WeakPolarHBondContact OD1-CG 3.14Å; D177-Q180 PolarHBondContact OD1-N 3.01Å; D177-Q180 WeakPolarHBondContact OD2-CG 3.33Å; I178-Q180 VanDerWaalsContact C-N 3.31Å; I178-Q180 PolarHBondContact O-N 3.15Å; Q180-M182 PolarHBondContact O-N 3.23Å; Q180-S183 WeakPolarHBondContact O-CB 3.19Å; Q180-S183 PolarHBondContact O-N 2.84Å; Q180-S183 PolarHBondContact O-OG 3.39Å
181K87Confident85.4Confident166 Ų16683.9 Ų83.972%0.72241%0.414SS*.Hα-helixtrans-65.4-36-173.4-74.6-172.9179.5-170.80113.5V176 D177 I178 S183V176-K181 HydrophobicContact CG1-CD 4.03Å; D177-K181 WeakPolarHBondContact O-CB 3.39Å; D177-K181 WeakPolarHBondContact O-CG 3.25Å; D177-K181 PolarHBondContact O-N 3.42Å; I178-K181 PolarHBondContact O-N 2.96Å; K181-S183 VanDerWaalsContact C-N 3.28Å; K181-S183 PolarHBondContact O-N 3.3Å
182M89Confident84.8Confident17 Ų1781.5 Ų81.58%0.08441%0.405CS..THydrogen-bonded Turntrans-96.242.2177-161.5-165.1169.200110.9R89 F90 K107 F110 L111 I178 Q180R89-M182 HydrophobicContact CB-CE 4.41Å; F90-M182 HydrophobicContact CD1-CE 3.96Å; F90-M182 HydrophobicContact CD1-CG 4.19Å; F90-M182 HydrophobicContact CE1-CE 3.51Å; F90-M182 HydrophobicContact CE1-CG 4.24Å; F90-M182 HydrophobicContact CE2-CE 4.33Å; F90-M182 HydrophobicContact CZ-CE 3.73Å; K107-M182 HydrophobicContact CB-SD 3.72Å; K107-M182 HydrophobicContact CD-CB 4.36Å; K107-M182 HydrophobicContact CG-SD 3.87Å; K107-M182 PolarHBondContact NZ-O 2.8Å; F110-M182 HydrophobicContact CB-CE 3.86Å; F110-M182 HydrophobicContact CD1-CE 3.15Å; F110-M182 HydrophobicContact CD1-SD 4.48Å; F110-M182 HydrophobicContact CD2-CE 4.25Å; F110-M182 HydrophobicContact CE1-CE 3.71Å; F110-M182 HydrophobicContact CG-CE 3.49Å; F110-M182 VanDerWaalsContact CG-CE 3.49Å; F110-M182 HydrophobicContact CZ-CE 4.49Å; L111-M182 HydrophobicContact CD1-SD 4.4Å; L111-M182 HydrophobicContact CD2-SD 4.14Å; L111-M182 HydrophobicContact CG-SD 3.98Å; I178-M182 HydrophobicContact CG2-CB 4.24Å; I178-M182 WeakPolarHBondContact O-CB 3.46Å; I178-M182 PolarHBondContact O-N 2.84Å; Q180-M182 PolarHBondContact O-N 3.23Å
183S87.4Confident84.3Confident40 Ų4082.9 Ų82.928%0.2840%0.399SS..  trans-120.4130.3174.974.10000110.9F90 Q180 K181F90-S183 VanDerWaalsContact O-CA 3.29Å; F90-S183 WeakPolarHBondContact O-CA 3.12Å; Q180-S183 WeakPolarHBondContact O-CB 3.19Å; Q180-S183 PolarHBondContact O-N 2.84Å; Q180-S183 PolarHBondContact O-OG 3.39Å; K181-S183 VanDerWaalsContact C-N 3.28Å; K181-S183 PolarHBondContact O-N 3.3Å
184I84.2Confident83.6Confident99 Ų9985.1 Ų85.151%0.50841%0.411SS..  trans-128.7136.4-177-52.5176.5000108.8F90 F186F90-I184 HydrophobicContact CD1-CD1 3.73Å; F90-I184 HydrophobicContact CD1-CG1 4.17Å; F90-I184 HydrophobicContact CE1-CD1 4.2Å; F90-I184 HydrophobicContact CG-CD1 4.47Å; F90-I184 PolarHBondContact O-N 3.26Å; I184-F186 HydrophobicContact CB-CD1 4.16Å; I184-F186 HydrophobicContact CG2-CD1 4.25Å; I184-F186 VanDerWaalsContact O-CD1 3.3Å; I184-F186 WeakPolarHBondContact O-CD1 3.24Å; I184-F186 PolarHBondContact O-N 3.05Å
185R79.9Confident83Confident199 Ų19983.6 Ų83.675%0.75140%0.4SS*.  trans-92.796.7173.3-63.4177.7-179.1-151.512.1108.9E188R185-E188 WeakPolarHBondContact CD-OE2 3.32Å; R185-E188 IonicContact CZ-OE1 2.77Å; R185-E188 IonicContact CZ-OE2 3.47Å; R185-E188 IonicContact NE-OE1 2.93Å; R185-E188 IonicContact NE-OE2 3.85Å; R185-E188 IonicContact NH1-OE1 3.81Å; R185-E188 PolarHBondContact NH1-OE1 2.75Å; R185-E188 IonicContact NH1-OE2 3.79Å; R185-E188 PolarHBondContact NH1-OE2 2.78Å
186F74.9Confident82.5Confident44 Ų4477.8 Ų77.819%0.19337%0.365CS..  trans-111.6-2.6177.952.8-87.9000113.3F23 L31 R34 L87 F90 I184F23-F186 HydrophobicContact CE1-CE2 4.27Å; F23-F186 HydrophobicContact CE1-CZ 4.06Å; F23-F186 HydrophobicContact CZ-CE2 4.27Å; F23-F186 AromaticContact CZ-CZ 3.89Å; F23-F186 HydrophobicContact CZ-CZ 3.89Å; L31-F186 HydrophobicContact CD2-CD2 4.27Å; L31-F186 HydrophobicContact CD2-CE2 3.98Å; R34-F186 PolarHBondContact NH1-O 2.9Å; R34-F186 PolarHBondContact NH2-O 2.83Å; L87-F186 HydrophobicContact CB-CZ 4.24Å; L87-F186 HydrophobicContact CD1-CE2 4.39Å; L87-F186 HydrophobicContact CD2-CE2 4.27Å; L87-F186 HydrophobicContact CD2-CZ 4.2Å; F90-F186 HydrophobicContact CB-CE1 3.97Å; I184-F186 HydrophobicContact CB-CD1 4.16Å; I184-F186 HydrophobicContact CG2-CD1 4.25Å; I184-F186 VanDerWaalsContact O-CD1 3.3Å; I184-F186 WeakPolarHBondContact O-CD1 3.24Å; I184-F186 PolarHBondContact O-N 3.05Å
187L70.9Confident81.8Confident15 Ų1580.7 Ų80.78%0.07937%0.374CS..  trans-122.13.1-174.2-66.2175.6000115.2F23 Q27 R30 L31F23-L187 HydrophobicContact CD1-CD1 3.88Å; F23-L187 HydrophobicContact CE1-CD1 3.73Å; Q27-L187 HydrophobicContact CB-CD1 3.74Å; Q27-L187 HydrophobicContact CG-CB 4.32Å; Q27-L187 HydrophobicContact CG-CD1 3.73Å; R30-L187 HydrophobicContact CB-CD2 4.25Å; R30-L187 PolarHBondContact NH1-O 3.37Å; L31-L187 HydrophobicContact CD1-CD1 4.21Å; L31-L187 HydrophobicContact CD2-CD1 4.36Å; L31-L187 HydrophobicContact CD2-CD2 3.81Å; L31-L187 HydrophobicContact CG-CD1 4.15Å; L31-L187 HydrophobicContact CG-CD2 4.04Å
188E58.3Low81Confident192 Ų19280.6 Ų80.690%0.89737%0.368SS*.  trans-70.90171.8-70.2-177.8174.900110.5R185R185-E188 WeakPolarHBondContact CD-OE2 3.32Å; R185-E188 IonicContact CZ-OE1 2.77Å; R185-E188 IonicContact CZ-OE2 3.47Å; R185-E188 IonicContact NE-OE1 2.93Å; R185-E188 IonicContact NE-OE2 3.85Å; R185-E188 IonicContact NH1-OE1 3.81Å; R185-E188 PolarHBondContact NH1-OE1 2.75Å; R185-E188 IonicContact NH1-OE2 3.79Å; R185-E188 PolarHBondContact NH1-OE2 2.78Å

Retrieved 188 of 188 residues in 42.6 ms (Link to these results)

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