G4VJV9_SCHMA Loading...

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AlphaFold DB , UniProt , Accession G4VJV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 270 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
1M38.2Very low78.2Confident233 Ų23380.4 Ų80.4100%1.14848%0.482SS*.  0114.50-71.9-161.8171.400105.2G3M1-G3 PolarHBondContact O-N 3.15Å
2D48.6Very low79.6Confident165 Ų16580.6 Ų80.688%0.88248%0.479SS*.  trans-60.1108.4-179.8-64.3-21.6000107.5T4D2-T4 PolarHBondContact O-N 2.85Å
3G58.8Low80.8Confident81 Ų8181.5 Ų81.584%0.83548%0.475SS*.  trans-75.948.7-157.800000114.4M1 D5M1-G3 PolarHBondContact O-N 3.15Å; G3-D5 PolarHBondContact O-N 2.61Å
4T75.2Confident81.9Confident102 Ų10275.7 Ų75.763%0.62644%0.441SS*.  trans-75.3107.1174.8-53.70000108.6D2 P6D2-T4 PolarHBondContact O-N 2.85Å; T4-P6 WeakPolarHBondContact O-CD 3.23Å
5D86.1Confident82.9Confident40 Ų4075.3 Ų75.321%0.21443%0.432CS..  trans-59.3118.9178.2-172.8-22.3000111.2G3 Y7 F8 R81G3-D5 PolarHBondContact O-N 2.61Å; D5-Y7 PolarHBondContact O-N 3.21Å; D5-Y7 VanDerWaalsContact O-N 3.13Å; D5-Y7 WeakPolarHBondContact OD1-CB 3.37Å; D5-Y7 PolarHBondContact OD1-N 3.14Å; D5-F8 HydrophobicContact CB-CD2 3.79Å; D5-F8 HydrophobicContact CB-CE2 3.86Å; D5-F8 PolarHBondContact O-N 3.26Å; D5-R81 IonicContact OD1-NH1 3.15Å; D5-R81 IonicContact OD2-CZ 3.74Å; D5-R81 IonicContact OD2-NH1 3.63Å; D5-R81 PolarHBondContact OD2-NH1 3.45Å; D5-R81 IonicContact OD2-NH2 3.08Å; D5-R81 PolarHBondContact OD2-NH2 3.27Å
6P89.3Confident83.7Confident101 Ų10179.9 Ų79.966%0.65645%0.446SS*.Hα-helixtrans-57.4-24.8178.9-2534.6000114T4 F8 C9 M10T4-P6 WeakPolarHBondContact O-CD 3.23Å; P6-F8 PolarHBondContact O-N 2.73Å; P6-C9 WeakPolarHBondContact O-CB 3.44Å; P6-C9 PolarHBondContact O-N 2.91Å; P6-C9 VanDerWaalsContact O-N 3.08Å; P6-M10 PolarHBondContact O-N 3.32Å
7Y91.7Very high84.4Confident10 Ų1076.9 Ų76.94%0.03943%0.429CS..Hα-helixtrans-52.3-41176.4168.6-93.3000112D5 C9 M10 Q11 L57 I61 R81 F84 A120D5-Y7 PolarHBondContact O-N 3.21Å; D5-Y7 VanDerWaalsContact O-N 3.13Å; D5-Y7 WeakPolarHBondContact OD1-CB 3.37Å; D5-Y7 PolarHBondContact OD1-N 3.14Å; Y7-C9 VanDerWaalsContact C-N 3.3Å; Y7-C9 PolarHBondContact O-N 3.08Å; Y7-M10 PolarHBondContact O-N 3.45Å; Y7-Q11 HydrophobicContact CE1-CB 4.01Å; Y7-Q11 HydrophobicContact CE1-CG 4.31Å; Y7-Q11 VanDerWaalsContact CZ-OE1 3.29Å; Y7-Q11 WeakPolarHBondContact O-CB 3.43Å; Y7-Q11 PolarHBondContact O-N 3.05Å; Y7-Q11 PolarHBondContact OH-OE1 3.32Å; Y7-L57 HydrophobicContact CD2-CD2 3.79Å; Y7-L57 HydrophobicContact CE2-CD2 3.97Å; Y7-I61 HydrophobicContact CE2-CD1 4.34Å; Y7-R81 HydrophobicContact CD1-CG 4.16Å; Y7-R81 HydrophobicContact CD2-CG 4.11Å; Y7-R81 HydrophobicContact CE1-CG 3.72Å; Y7-R81 HydrophobicContact CE2-CB 3.85Å; Y7-R81 HydrophobicContact CE2-CG 3.63Å; Y7-R81 HydrophobicContact CG-CG 4.36Å; Y7-R81 VanDerWaalsContact CZ-CG 3.45Å; Y7-F84 WeakPolarHBondContact OH-CD1 3.42Å; Y7-A120 HydrophobicContact CE1-CB 4.02Å
8F92.7Very high85.1Confident9 Ų972.7 Ų72.74%0.03941%0.405CS..Hα-helixtrans-68.3-31.5-177.5-65.3-67.8000112.6D5 P6 Q11 D12 R122D5-F8 HydrophobicContact CB-CD2 3.79Å; D5-F8 HydrophobicContact CB-CE2 3.86Å; D5-F8 PolarHBondContact O-N 3.26Å; P6-F8 PolarHBondContact O-N 2.73Å; F8-Q11 PolarHBondContact O-N 3.09Å; F8-D12 WeakPolarHBondContact O-CB 3.49Å; F8-D12 PolarHBondContact O-N 3.21Å; F8-R122 HydrophobicContact CD2-CG 4.47Å; F8-R122 HydrophobicContact CE1-CB 4.24Å; F8-R122 HydrophobicContact CE2-CG 4.19Å; F8-R122 HydrophobicContact CZ-CB 4.28Å; F8-R122 HydrophobicContact CZ-CG 4.23Å
9C91.9Very high85.7Confident86 Ų8672.1 Ų72.158%0.58140%0.399SS*.Hα-helixtrans-63.3-47.6174.4-173.30000110.7P6 Y7 D12 E13P6-C9 WeakPolarHBondContact O-CB 3.44Å; P6-C9 PolarHBondContact O-N 2.91Å; P6-C9 VanDerWaalsContact O-N 3.08Å; Y7-C9 VanDerWaalsContact C-N 3.3Å; Y7-C9 PolarHBondContact O-N 3.08Å; C9-D12 PolarHBondContact O-N 3.39Å; C9-E13 WeakPolarHBondContact O-CB 3.15Å; C9-E13 PolarHBondContact O-N 3.28Å
10M93.1Very high86.2Confident54 Ų5471.8 Ų71.827%0.26640%0.396SS..Hα-helixtrans-64.6-40.7176.7-66.1-63.9-71.700111.7P6 Y7 E13 V14 D53 L57P6-M10 PolarHBondContact O-N 3.32Å; Y7-M10 PolarHBondContact O-N 3.45Å; M10-E13 PolarHBondContact O-N 3.08Å; M10-V14 WeakPolarHBondContact O-CB 3.39Å; M10-V14 VanDerWaalsContact O-CG2 3.31Å; M10-V14 WeakPolarHBondContact O-CG2 3.42Å; M10-V14 PolarHBondContact O-N 2.93Å; M10-D53 HydrophobicContact CE-CB 4.37Å; M10-L57 HydrophobicContact CB-CD1 4.42Å; M10-L57 HydrophobicContact CB-CD2 3.77Å; M10-L57 HydrophobicContact CB-CG 4.26Å; M10-L57 HydrophobicContact CG-CD2 4.45Å
11Q94.3Very high86.6Confident3 Ų368.5 Ų68.51%0.01438%0.378CS..Hα-helixtrans-60.5-46.3176.5-178.8-179.3-101.500111.6Y7 F8 E13 V14 F15 F84 V119 A120Y7-Q11 HydrophobicContact CE1-CB 4.01Å; Y7-Q11 HydrophobicContact CE1-CG 4.31Å; Y7-Q11 VanDerWaalsContact CZ-OE1 3.29Å; Y7-Q11 WeakPolarHBondContact O-CB 3.43Å; Y7-Q11 PolarHBondContact O-N 3.05Å; Y7-Q11 PolarHBondContact OH-OE1 3.32Å; F8-Q11 PolarHBondContact O-N 3.09Å; Q11-E13 VanDerWaalsContact C-N 3.33Å; Q11-V14 PolarHBondContact O-N 3.29Å; Q11-F15 VanDerWaalsContact O-CB 3.24Å; Q11-F15 WeakPolarHBondContact O-CB 3.49Å; Q11-F15 PolarHBondContact O-N 3.41Å; Q11-F84 HydrophobicContact CB-CE1 4.35Å; Q11-F84 HydrophobicContact CB-CZ 4.4Å; Q11-F84 HydrophobicContact CG-CD1 4.25Å; Q11-F84 HydrophobicContact CG-CD2 4.21Å; Q11-F84 HydrophobicContact CG-CE1 3.91Å; Q11-F84 HydrophobicContact CG-CE2 3.85Å; Q11-F84 HydrophobicContact CG-CG 4.39Å; Q11-F84 HydrophobicContact CG-CZ 3.68Å; Q11-V119 VanDerWaalsContact CD-CG1 3.4Å; Q11-V119 HydrophobicContact CG-CG1 4Å; Q11-A120 PolarHBondContact NE2-O 3.34Å
12D95Very high89.3Confident83 Ų8361.5 Ų61.544%0.44434%0.341SS..Hα-helixtrans-65-39.2179.8-68-18.1000110.9F8 C9 K16F8-D12 WeakPolarHBondContact O-CB 3.49Å; F8-D12 PolarHBondContact O-N 3.21Å; C9-D12 PolarHBondContact O-N 3.39Å; D12-K16 VanDerWaalsContact O-CB 3.23Å; D12-K16 WeakPolarHBondContact O-CB 3.49Å; D12-K16 PolarHBondContact O-N 3.43Å
13E94.8Very high91.4Very high93 Ų9358.1 Ų58.144%0.43533%0.327SS..Hα-helixtrans-63.9-50.3175.1-179.4162.9-163.400112.3C9 M10 Q11 F15 K16 N17C9-E13 WeakPolarHBondContact O-CB 3.15Å; C9-E13 PolarHBondContact O-N 3.28Å; M10-E13 PolarHBondContact O-N 3.08Å; Q11-E13 VanDerWaalsContact C-N 3.33Å; E13-F15 VanDerWaalsContact C-N 3.34Å; E13-F15 PolarHBondContact O-N 3.18Å; E13-K16 PolarHBondContact O-N 2.93Å; E13-N17 WeakPolarHBondContact O-CB 3.49Å; E13-N17 PolarHBondContact O-N 3.02Å; E13-N17 PolarHBondContact O-ND2 2.96Å
14V96.7Very high92.9Very high0 Ų055.1 Ų55.10%029%0.291CS..Hα-helixtrans-58.3-48.1176166.40000110.6M10 Q11 K16 N17 L18 I50 D53 L54 L57 F84 A88M10-V14 WeakPolarHBondContact O-CB 3.39Å; M10-V14 VanDerWaalsContact O-CG2 3.31Å; M10-V14 WeakPolarHBondContact O-CG2 3.42Å; M10-V14 PolarHBondContact O-N 2.93Å; Q11-V14 PolarHBondContact O-N 3.29Å; V14-K16 PolarHBondContact O-N 3.2Å; V14-N17 PolarHBondContact O-N 2.94Å; V14-L18 HydrophobicContact CG1-CD1 3.7Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CD1 3.33Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 2.98Å; V14-I50 HydrophobicContact CG1-CG2 4.16Å; V14-D53 HydrophobicContact CG2-CB 3.42Å; V14-D53 VanDerWaalsContact CG2-CB 3.42Å; V14-L54 HydrophobicContact CG1-CD2 3.94Å; V14-L57 HydrophobicContact CG2-CD1 3.94Å; V14-F84 HydrophobicContact CB-CE1 4.34Å; V14-F84 HydrophobicContact CB-CZ 4.01Å; V14-F84 HydrophobicContact CG1-CE1 3.97Å; V14-F84 HydrophobicContact CG1-CZ 3.59Å; V14-A88 HydrophobicContact CG1-CB 4.43Å
15F96.1Very high93.6Very high69 Ų6950.4 Ų50.430%0.30326%0.262SS..Hα-helixtrans-60.6-45.3179-178.3-96.1000111.7Q11 E13 N17 L18 Q19 V119Q11-F15 VanDerWaalsContact O-CB 3.24Å; Q11-F15 WeakPolarHBondContact O-CB 3.49Å; Q11-F15 PolarHBondContact O-N 3.41Å; E13-F15 VanDerWaalsContact C-N 3.34Å; E13-F15 PolarHBondContact O-N 3.18Å; F15-N17 PolarHBondContact O-N 3.39Å; F15-L18 WeakPolarHBondContact O-CB 3.27Å; F15-L18 PolarHBondContact O-N 3.29Å; F15-Q19 HydrophobicContact CD1-CG 4.27Å; F15-Q19 HydrophobicContact CE1-CG 3.87Å; F15-Q19 HydrophobicContact CZ-CG 4.16Å; F15-Q19 WeakPolarHBondContact O-CG 3.14Å; F15-Q19 PolarHBondContact O-N 3.42Å; F15-V119 HydrophobicContact CD2-CG2 3.54Å; F15-V119 HydrophobicContact CE2-CG2 3.81Å; F15-V119 HydrophobicContact CG-CG2 4.1Å
16K96.2Very high93.7Very high150 Ų15052.2 Ų52.265%0.65227%0.269SS*.Hα-helixtrans-60-45.8176.2178.6-176.6174-1750111.5D12 E13 V14 L18 Q19 L20D12-K16 VanDerWaalsContact O-CB 3.23Å; D12-K16 WeakPolarHBondContact O-CB 3.49Å; D12-K16 PolarHBondContact O-N 3.43Å; E13-K16 PolarHBondContact O-N 2.93Å; V14-K16 PolarHBondContact O-N 3.2Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 2.81Å; K16-Q19 PolarHBondContact O-N 3Å; K16-L20 PolarHBondContact O-N 3.02Å
17N96.6Very high93.6Very high29 Ų2950.6 Ų50.616%0.15526%0.255CS..Hα-helixtrans-64.6-36.1178.8-72.4-20.7000111.3E13 V14 F15 L20 V21 T46 I50E13-N17 WeakPolarHBondContact O-CB 3.49Å; E13-N17 PolarHBondContact O-N 3.02Å; E13-N17 PolarHBondContact O-ND2 2.96Å; V14-N17 PolarHBondContact O-N 2.94Å; F15-N17 PolarHBondContact O-N 3.39Å; N17-L20 WeakPolarHBondContact O-CB 3.45Å; N17-L20 PolarHBondContact O-N 2.96Å; N17-V21 WeakPolarHBondContact O-CG2 3.41Å; N17-V21 PolarHBondContact O-N 3.25Å; N17-T46 HydrophobicContact CB-CG2 4.26Å; N17-I50 HydrophobicContact CB-CD1 3.79Å; N17-I50 HydrophobicContact CB-CG1 3.54Å
18L97Very high93.3Very high1 Ų150.8 Ų50.81%0.00526%0.256CS..Hα-helixtrans-64.3-40172.6-74.6156.9000112.6V14 F15 K16 L20 V21 K22 I50 A88 V91 V92 I117V14-L18 HydrophobicContact CG1-CD1 3.7Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CD1 3.33Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 2.98Å; F15-L18 WeakPolarHBondContact O-CB 3.27Å; F15-L18 PolarHBondContact O-N 3.29Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 2.81Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.43Å; L18-V21 PolarHBondContact O-N 2.93Å; L18-K22 PolarHBondContact O-N 3.49Å; L18-I50 HydrophobicContact CD2-CD1 4.06Å; L18-I50 HydrophobicContact CD2-CG2 4.4Å; L18-I50 HydrophobicContact CG-CD1 4Å; L18-I50 HydrophobicContact CG-CG2 4.38Å; L18-A88 HydrophobicContact CD1-CB 4.07Å; L18-V91 HydrophobicContact CD2-CB 4.33Å; L18-V91 HydrophobicContact CD2-CG1 3.81Å; L18-V92 HydrophobicContact CD2-CG2 4.08Å; L18-I117 HydrophobicContact CB-CD1 4.48Å; L18-I117 HydrophobicContact CD1-CD1 3.35Å; L18-I117 HydrophobicContact CD2-CD1 4.2Å; L18-I117 HydrophobicContact CG-CD1 4.22Å
19Q96.1Very high92.8Very high60 Ų6053.8 Ų53.828%0.2827%0.267SS..Hα-helixtrans-65.6-35173.1-63.1-49.7-44.800112.1F15 K16 K22 T23F15-Q19 HydrophobicContact CD1-CG 4.27Å; F15-Q19 HydrophobicContact CE1-CG 3.87Å; F15-Q19 HydrophobicContact CZ-CG 4.16Å; F15-Q19 WeakPolarHBondContact O-CG 3.14Å; F15-Q19 PolarHBondContact O-N 3.42Å; K16-Q19 PolarHBondContact O-N 3Å; Q19-K22 PolarHBondContact O-N 2.89Å; Q19-T23 PolarHBondContact O-N 3.29Å; Q19-T23 PolarHBondContact O-OG1 3.46Å
20L95.3Very high92.3Very high67 Ų6752.5 Ų52.535%0.35127%0.269SS..Hα-helixtrans-63.8-47172.3178.761.1000111K16 N17 L18 K22 T23 L24 T46K16-L20 PolarHBondContact O-N 3.02Å; N17-L20 WeakPolarHBondContact O-CB 3.45Å; N17-L20 PolarHBondContact O-N 2.96Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.43Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.45Å; L20-T23 PolarHBondContact O-N 3.34Å; L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CG 4.05Å; L20-L24 HydrophobicContact CG-CD1 3.92Å; L20-L24 HydrophobicContact CG-CG 4.37Å; L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 3.11Å; L20-T46 HydrophobicContact CD2-CG2 4.01Å; L20-T46 HydrophobicContact CG-CG2 4.34Å
21V94.5Very high91.7Very high2 Ų254.7 Ų54.71%0.01227%0.274CS..Hα-helixtrans-57.3-46.2174.71710000110.9N17 L18 T23 L24 Y25 I43 T46 I47 I50 A95 F115N17-V21 WeakPolarHBondContact O-CG2 3.41Å; N17-V21 PolarHBondContact O-N 3.25Å; L18-V21 PolarHBondContact O-N 2.93Å; V21-T23 VanDerWaalsContact C-N 3.34Å; V21-T23 PolarHBondContact O-N 2.99Å; V21-L24 PolarHBondContact O-N 3.38Å; V21-Y25 WeakPolarHBondContact O-CB 3.44Å; V21-Y25 PolarHBondContact O-N 2.95Å; V21-I43 HydrophobicContact CG1-CG2 4.34Å; V21-T46 HydrophobicContact CG2-CG2 3.58Å; V21-I47 HydrophobicContact CB-CG1 4.5Å; V21-I47 HydrophobicContact CG1-CD1 4.05Å; V21-I47 HydrophobicContact CG1-CG1 3.8Å; V21-I47 HydrophobicContact CG2-CG1 3.78Å; V21-I50 HydrophobicContact CG2-CD1 3.72Å; V21-A95 HydrophobicContact CG1-CB 4.5Å; V21-F115 HydrophobicContact CB-CE1 4.4Å; V21-F115 HydrophobicContact CG1-CE1 3.88Å; V21-F115 HydrophobicContact CG1-CZ 4.12Å
22K94.1Very high90.3Very high86 Ų8661 Ų6137%0.37431%0.307SS..Hα-helixtrans-54.8-50.3175.8179.7-178-179.5178.80111.7L18 Q19 L20 Y25 E26 F115L18-K22 PolarHBondContact O-N 3.49Å; Q19-K22 PolarHBondContact O-N 2.89Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.45Å; K22-Y25 PolarHBondContact O-N 3.28Å; K22-E26 WeakPolarHBondContact O-CG 3.22Å; K22-E26 PolarHBondContact O-N 3.33Å; K22-F115 HydrophobicContact CB-CB 4.47Å; K22-F115 HydrophobicContact CB-CD1 3.79Å; K22-F115 HydrophobicContact CB-CD2 3.98Å; K22-F115 HydrophobicContact CB-CE1 3.94Å; K22-F115 HydrophobicContact CB-CE2 4.09Å; K22-F115 HydrophobicContact CB-CG 3.83Å; K22-F115 HydrophobicContact CB-CZ 4.09Å; K22-F115 HydrophobicContact CD-CB 3.92Å; K22-F115 HydrophobicContact CD-CD2 4.23Å; K22-F115 HydrophobicContact CD-CG 4.08Å; K22-F115 HydrophobicContact CG-CB 4.32Å; K22-F115 HydrophobicContact CG-CD1 4.39Å; K22-F115 HydrophobicContact CG-CD2 3.74Å; K22-F115 HydrophobicContact CG-CE2 4.09Å; K22-F115 HydrophobicContact CG-CG 3.91Å
23T93.6Very high88.7Confident94 Ų9462.7 Ų62.758%0.57732%0.316SS*.Hα-helixtrans-63-45.4-178.2-55.40000111.5Q19 L20 V21 D27Q19-T23 PolarHBondContact O-N 3.29Å; Q19-T23 PolarHBondContact O-OG1 3.46Å; L20-T23 PolarHBondContact O-N 3.34Å; V21-T23 VanDerWaalsContact C-N 3.34Å; V21-T23 PolarHBondContact O-N 2.99Å; T23-D27 PolarHBondContact O-N 3.41Å; T23-D27 VanDerWaalsContact O-N 3.16Å
24L91.1Very high86.9Confident18 Ų1864.2 Ų64.29%0.09433%0.334CS..Hα-helixtrans-65.5-42.4177.8-67.1172.3000111.3L20 V21 E26 D27 W28 L39 K42 I43L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CG 4.05Å; L20-L24 HydrophobicContact CG-CD1 3.92Å; L20-L24 HydrophobicContact CG-CG 4.37Å; L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 3.11Å; V21-L24 PolarHBondContact O-N 3.38Å; L24-E26 PolarHBondContact O-N 3.42Å; L24-D27 PolarHBondContact O-N 3.11Å; L24-W28 WeakPolarHBondContact O-CB 3.41Å; L24-W28 PolarHBondContact O-N 2.88Å; L24-L39 HydrophobicContact CB-CD2 4.08Å; L24-L39 HydrophobicContact CD2-CD2 4.41Å; L24-L39 WeakPolarHBondContact O-CD2 3.33Å; L24-K42 HydrophobicContact CD1-CB 4.45Å; L24-K42 HydrophobicContact CD1-CD 4.03Å; L24-K42 HydrophobicContact CD1-CG 3.83Å; L24-K42 HydrophobicContact CD2-CD 4Å; L24-I43 HydrophobicContact CB-CD1 4.14Å; L24-I43 HydrophobicContact CB-CG1 3.46Å; L24-I43 VanDerWaalsContact CB-CG1 3.46Å; L24-I43 HydrophobicContact CD1-CG1 4.27Å; L24-I43 HydrophobicContact CG-CG1 4.48Å
25Y88.6Confident85.2Confident3 Ų365.6 Ų65.61%0.01235%0.348CS..Hα-helixtrans-61.3-44.9179.8-179.8-95.4000112.1V21 K22 W28 R29 C98 L99 I113 F115V21-Y25 WeakPolarHBondContact O-CB 3.44Å; V21-Y25 PolarHBondContact O-N 2.95Å; K22-Y25 PolarHBondContact O-N 3.28Å; Y25-W28 HydrophobicContact CD2-CE3 4.16Å; Y25-W28 HydrophobicContact CD2-CZ3 4.29Å; Y25-W28 HydrophobicContact CE2-CE3 4.06Å; Y25-W28 AromaticContact CE2-CZ3 3.76Å; Y25-W28 HydrophobicContact CE2-CZ3 3.76Å; Y25-W28 PolarHBondContact O-N 3.49Å; Y25-R29 VanDerWaalsContact O-CB 3.28Å; Y25-R29 WeakPolarHBondContact O-CB 3.36Å; Y25-R29 PolarHBondContact O-N 3.42Å; Y25-C98 HydrophobicContact CE2-CB 4.1Å; Y25-L99 HydrophobicContact CD2-CD2 4.12Å; Y25-L99 HydrophobicContact CE2-CD2 4.28Å; Y25-I113 HydrophobicContact CD1-CD1 3.96Å; Y25-I113 HydrophobicContact CD2-CD1 3.88Å; Y25-I113 HydrophobicContact CE1-CD1 3.61Å; Y25-I113 HydrophobicContact CE1-CG1 4.12Å; Y25-I113 HydrophobicContact CE2-CD1 3.52Å; Y25-I113 HydrophobicContact CG-CD1 4.09Å; Y25-F115 HydrophobicContact CD1-CE2 4.42Å
26E88.1Confident84Confident78 Ų7864 Ų6436%0.36434%0.343SS..Hα-helixtrans-66.3-38.2177.1-67.3-59154.500112.3K22 L24 R29 G30K22-E26 WeakPolarHBondContact O-CG 3.22Å; K22-E26 PolarHBondContact O-N 3.33Å; L24-E26 PolarHBondContact O-N 3.42Å; E26-R29 PolarHBondContact O-N 3.33Å; E26-G30 PolarHBondContact O-N 2.91Å
27D87.5Confident83Confident68 Ų6858.1 Ų58.136%0.36432%0.317SS..Hα-helixtrans-60.3-51.1172.3-176.528.6000110.3T23 L24 R29 G30 R31 L39T23-D27 PolarHBondContact O-N 3.41Å; T23-D27 VanDerWaalsContact O-N 3.16Å; L24-D27 PolarHBondContact O-N 3.11Å; D27-R29 VanDerWaalsContact C-N 3.34Å; D27-R29 PolarHBondContact O-N 3.03Å; D27-G30 PolarHBondContact O-N 3.44Å; D27-G30 VanDerWaalsContact O-N 3.16Å; D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 2.88Å; D27-R31 IonicContact OD1-CZ 3.99Å; D27-R31 IonicContact OD1-NE 3.75Å; D27-R31 PolarHBondContact OD1-NE 2.74Å; D27-R31 IonicContact OD1-NH2 2.77Å; D27-R31 PolarHBondContact OD1-NH2 3.17Å; D27-R31 IonicContact OD2-CZ 2.81Å; D27-R31 IonicContact OD2-NE 2.69Å; D27-R31 PolarHBondContact OD2-NE 3.38Å; D27-R31 IonicContact OD2-NH2 2.72Å; D27-R31 PolarHBondContact OD2-NH2 3.11Å; D27-L39 HydrophobicContact CB-CD1 4.14Å; D27-L39 VanDerWaalsContact OD2-CD1 3.25Å; D27-L39 WeakPolarHBondContact OD2-CD1 3.48Å
28W85.5Confident82.2Confident14 Ų1464.7 Ų64.75%0.05335%0.347CS..Hα-helixtrans-60.6-40179.3174.182.2000113.7L24 Y25 G30 R31 L39 L40 I43 L99 S102 K107L24-W28 WeakPolarHBondContact O-CB 3.41Å; L24-W28 PolarHBondContact O-N 2.88Å; Y25-W28 HydrophobicContact CD2-CE3 4.16Å; Y25-W28 HydrophobicContact CD2-CZ3 4.29Å; Y25-W28 HydrophobicContact CE2-CE3 4.06Å; Y25-W28 AromaticContact CE2-CZ3 3.76Å; Y25-W28 HydrophobicContact CE2-CZ3 3.76Å; Y25-W28 PolarHBondContact O-N 3.49Å; W28-G30 VanDerWaalsContact C-N 3.33Å; W28-R31 PolarHBondContact O-N 3.04Å; W28-L39 HydrophobicContact CB-CD1 3.91Å; W28-L39 HydrophobicContact CB-CD2 3.64Å; W28-L39 HydrophobicContact CB-CG 4.36Å; W28-L39 HydrophobicContact CG-CD2 4.42Å; W28-L40 HydrophobicContact CZ2-CD1 4.33Å; W28-I43 HydrophobicContact CB-CD1 3.79Å; W28-I43 HydrophobicContact CG-CD1 4.13Å; W28-L99 HydrophobicContact CE3-CD2 4.3Å; W28-L99 HydrophobicContact CH2-CD2 4.16Å; W28-L99 HydrophobicContact CZ3-CD2 4.08Å; W28-S102 VanDerWaalsContact CH2-CB 3.42Å; W28-S102 WeakPolarHBondContact CH2-OG 3.44Å; W28-K107 HydrophobicContact CZ2-CG 4.41Å
29R82.1Confident81.6Confident71 Ų7165.4 Ų65.427%0.26835%0.351SS..Hα-helixtrans-66.2-36.2177.4-172.8-177.2-174.7-154.55.7111.9Y25 E26 D27 R31 D110Y25-R29 VanDerWaalsContact O-CB 3.28Å; Y25-R29 WeakPolarHBondContact O-CB 3.36Å; Y25-R29 PolarHBondContact O-N 3.42Å; E26-R29 PolarHBondContact O-N 3.33Å; D27-R29 VanDerWaalsContact C-N 3.34Å; D27-R29 PolarHBondContact O-N 3.03Å; R29-R31 VanDerWaalsContact C-N 3.31Å; R29-D110 PolarHBondContact NH2-O 2.97Å
30G82.6Confident81Confident60 Ų6063.3 Ų63.362%0.61934%0.341SS*.Hα-helixtrans-71.4-22.4176.900000114.1E26 D27 W28E26-G30 PolarHBondContact O-N 2.91Å; D27-G30 PolarHBondContact O-N 3.44Å; D27-G30 VanDerWaalsContact O-N 3.16Å; W28-G30 VanDerWaalsContact C-N 3.33Å
31R79.3Confident80.4Confident100 Ų10062.2 Ų62.238%0.37734%0.338SS..  trans-79.8123.7-176.1-71.1-172.4-168-1506.1113D27 W28 R29 D36 K107D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 2.88Å; D27-R31 IonicContact OD1-CZ 3.99Å; D27-R31 IonicContact OD1-NE 3.75Å; D27-R31 PolarHBondContact OD1-NE 2.74Å; D27-R31 IonicContact OD1-NH2 2.77Å; D27-R31 PolarHBondContact OD1-NH2 3.17Å; D27-R31 IonicContact OD2-CZ 2.81Å; D27-R31 IonicContact OD2-NE 2.69Å; D27-R31 PolarHBondContact OD2-NE 3.38Å; D27-R31 IonicContact OD2-NH2 2.72Å; D27-R31 PolarHBondContact OD2-NH2 3.11Å; W28-R31 PolarHBondContact O-N 3.04Å; R29-R31 VanDerWaalsContact C-N 3.31Å; R31-D36 WeakPolarHBondContact CB-OD2 3.34Å; R31-D36 WeakPolarHBondContact CD-OD2 3.38Å; R31-D36 IonicContact CZ-OD1 3.39Å; R31-D36 IonicContact NH1-OD1 2.85Å; R31-D36 PolarHBondContact NH1-OD1 2.98Å; R31-D36 IonicContact NH1-OD2 3.52Å; R31-K107 PolarHBondContact O-NZ 2.94Å; R31-K107 VanDerWaalsContact O-NZ 3.11Å
32L64.7Low80.1Confident135 Ų13567.3 Ų67.371%0.70736%0.36SS*.  trans-73-25.4179.3-71.3107.6000113.7
33N62.2Low79.9Confident118 Ų11863.2 Ų63.263%0.63134%0.342SS*.  trans-86.4140.2-172-68.6-26.1000111.3G35 K107N33-G35 PolarHBondContact O-N 2.91Å; N33-K107 PolarHBondContact O-NZ 3.24Å; N33-K107 VanDerWaalsContact O-NZ 3.15Å
34P57.2Low79.7Confident126 Ų12661.5 Ų61.582%0.81833%0.325SS*.THydrogen-bonded Turntrans-75.10175.727-31.7000114.6
35G61Low79.5Confident28 Ų2864 Ų6429%0.28934%0.336SS..THydrogen-bonded Turntrans-96.29.1-173.300000116.9N33 Q37 E222N33-G35 PolarHBondContact O-N 2.91Å; G35-Q37 PolarHBondContact O-N 2.98Å; G35-E222 WeakPolarHBondContact CA-OE1 3.46Å
36D71.5Confident79.7Confident37 Ų3764.5 Ų64.520%0.19834%0.339CS..  trans-84.246178.8-63.1-68000111.9R31 E38 L39 L40R31-D36 WeakPolarHBondContact CB-OD2 3.34Å; R31-D36 WeakPolarHBondContact CD-OD2 3.38Å; R31-D36 IonicContact CZ-OD1 3.39Å; R31-D36 IonicContact NH1-OD1 2.85Å; R31-D36 PolarHBondContact NH1-OD1 2.98Å; R31-D36 IonicContact NH1-OD2 3.52Å; D36-E38 PolarHBondContact O-N 3.37Å; D36-L39 HydrophobicContact CB-CB 4.12Å; D36-L39 WeakPolarHBondContact O-CB 3.42Å; D36-L39 PolarHBondContact O-N 3.36Å; D36-L39 VanDerWaalsContact O-N 3.08Å; D36-L40 PolarHBondContact O-N 3.46Å; D36-L40 VanDerWaalsContact O-N 3.14Å
37Q74.5Confident80Confident25 Ų2560.9 Ų60.912%0.11732%0.323CS..Hα-helixtrans-60.7-34.4-178.6-17168.2-9.400111.6G35 L39 L40 T41 L215 D218G35-Q37 PolarHBondContact O-N 2.98Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 3.45Å; Q37-L40 PolarHBondContact O-N 3.08Å; Q37-T41 WeakPolarHBondContact O-CB 3.34Å; Q37-T41 PolarHBondContact O-N 2.63Å; Q37-T41 PolarHBondContact O-OG1 3.27Å; Q37-L215 HydrophobicContact CG-CD1 4.17Å; Q37-L215 HydrophobicContact CG-CG 4.39Å; Q37-D218 HydrophobicContact CG-CB 4.33Å; Q37-D218 PolarHBondContact NE2-OD2 3.34Å
38E79.9Confident80.1Confident168 Ų16858.9 Ų58.979%0.78531%0.311SS*.Hα-helixtrans-57.6-44174-174.1-171168.600111.7D36 T41 K42D36-E38 PolarHBondContact O-N 3.37Å; E38-T41 WeakPolarHBondContact O-CB 3.44Å; E38-T41 PolarHBondContact O-N 3.19Å; E38-K42 WeakPolarHBondContact O-CB 3.48Å; E38-K42 PolarHBondContact O-N 2.85Å
39L84Confident80.4Confident16 Ų1661.4 Ų61.48%0.08433%0.325CS..Hα-helixtrans-65.9-47.3179.8-160179.3000109.7L24 D27 W28 D36 Q37 T41 K42 I43L24-L39 HydrophobicContact CB-CD2 4.08Å; L24-L39 HydrophobicContact CD2-CD2 4.41Å; L24-L39 WeakPolarHBondContact O-CD2 3.33Å; D27-L39 HydrophobicContact CB-CD1 4.14Å; D27-L39 VanDerWaalsContact OD2-CD1 3.25Å; D27-L39 WeakPolarHBondContact OD2-CD1 3.48Å; W28-L39 HydrophobicContact CB-CD1 3.91Å; W28-L39 HydrophobicContact CB-CD2 3.64Å; W28-L39 HydrophobicContact CB-CG 4.36Å; W28-L39 HydrophobicContact CG-CD2 4.42Å; D36-L39 HydrophobicContact CB-CB 4.12Å; D36-L39 WeakPolarHBondContact O-CB 3.42Å; D36-L39 PolarHBondContact O-N 3.36Å; D36-L39 VanDerWaalsContact O-N 3.08Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 3.45Å; L39-T41 VanDerWaalsContact C-N 3.29Å; L39-T41 PolarHBondContact O-N 2.88Å; L39-K42 WeakPolarHBondContact O-CB 3.39Å; L39-K42 PolarHBondContact O-N 2.93Å; L39-K42 VanDerWaalsContact O-N 3.11Å; L39-I43 HydrophobicContact CD2-CD1 3.32Å; L39-I43 HydrophobicContact CD2-CG1 3.66Å; L39-I43 WeakPolarHBondContact O-CG1 3.16Å; L39-I43 PolarHBondContact O-N 3.25Å
40L82.8Confident81Confident15 Ų1558 Ų588%0.07931%0.312CS..Hα-helixtrans-59.5-42.1177.5-176.356.4000111.9W28 D36 Q37 K42 I43 R44 L99W28-L40 HydrophobicContact CZ2-CD1 4.33Å; D36-L40 PolarHBondContact O-N 3.46Å; D36-L40 VanDerWaalsContact O-N 3.14Å; Q37-L40 PolarHBondContact O-N 3.08Å; L40-K42 VanDerWaalsContact C-N 3.35Å; L40-K42 PolarHBondContact O-N 2.72Å; L40-I43 PolarHBondContact O-N 2.74Å; L40-R44 VanDerWaalsContact CG-CZ 3.48Å; L40-R44 WeakPolarHBondContact O-CB 3.45Å; L40-R44 WeakPolarHBondContact O-CG 3.5Å; L40-R44 PolarHBondContact O-N 2.61Å; L40-L99 HydrophobicContact CD1-CD2 3.59Å
41T84Confident81.5Confident44 Ų4457.9 Ų57.927%0.2730%0.295SS..Hα-helixtrans-58-48.1173.4-53.40000110.9Q37 E38 L39 I43 R44 Q45 L215Q37-T41 WeakPolarHBondContact O-CB 3.34Å; Q37-T41 PolarHBondContact O-N 2.63Å; Q37-T41 PolarHBondContact O-OG1 3.27Å; E38-T41 WeakPolarHBondContact O-CB 3.44Å; E38-T41 PolarHBondContact O-N 3.19Å; L39-T41 VanDerWaalsContact C-N 3.29Å; L39-T41 PolarHBondContact O-N 2.88Å; T41-I43 PolarHBondContact O-N 2.91Å; T41-R44 PolarHBondContact O-N 3.27Å; T41-Q45 WeakPolarHBondContact O-CB 3.37Å; T41-Q45 PolarHBondContact O-N 3Å; T41-L215 HydrophobicContact CG2-CD1 4.35Å; T41-L215 HydrophobicContact CG2-CD2 3.45Å; T41-L215 VanDerWaalsContact CG2-CD2 3.45Å; T41-L215 WeakPolarHBondContact OG1-CD1 3.39Å; T41-L215 WeakPolarHBondContact OG1-CD2 3.48Å
42K87.6Confident82Confident109 Ų10956.5 Ų56.547%0.47429%0.29SS..Hα-helixtrans-63.5-40.4179.8-169.8177.5-179175.20112L24 E38 L39 L40 T46L24-K42 HydrophobicContact CD1-CB 4.45Å; L24-K42 HydrophobicContact CD1-CD 4.03Å; L24-K42 HydrophobicContact CD1-CG 3.83Å; L24-K42 HydrophobicContact CD2-CD 4Å; E38-K42 WeakPolarHBondContact O-CB 3.48Å; E38-K42 PolarHBondContact O-N 2.85Å; L39-K42 WeakPolarHBondContact O-CB 3.39Å; L39-K42 PolarHBondContact O-N 2.93Å; L39-K42 VanDerWaalsContact O-N 3.11Å; L40-K42 VanDerWaalsContact C-N 3.35Å; L40-K42 PolarHBondContact O-N 2.72Å; K42-T46 WeakPolarHBondContact O-CB 3.5Å; K42-T46 PolarHBondContact O-N 3.42Å; K42-T46 PolarHBondContact O-OG1 2.9Å
43I89.7Confident83.3Confident0 Ų051.2 Ų51.20%026%0.263CS..Hα-helixtrans-60.6-53.5173.8-65.2165.6000109.6V21 L24 W28 L39 L40 T41 Q45 T46 I47 L99V21-I43 HydrophobicContact CG1-CG2 4.34Å; L24-I43 HydrophobicContact CB-CD1 4.14Å; L24-I43 HydrophobicContact CB-CG1 3.46Å; L24-I43 VanDerWaalsContact CB-CG1 3.46Å; L24-I43 HydrophobicContact CD1-CG1 4.27Å; L24-I43 HydrophobicContact CG-CG1 4.48Å; W28-I43 HydrophobicContact CB-CD1 3.79Å; W28-I43 HydrophobicContact CG-CD1 4.13Å; L39-I43 HydrophobicContact CD2-CD1 3.32Å; L39-I43 HydrophobicContact CD2-CG1 3.66Å; L39-I43 WeakPolarHBondContact O-CG1 3.16Å; L39-I43 PolarHBondContact O-N 3.25Å; L40-I43 PolarHBondContact O-N 2.74Å; T41-I43 PolarHBondContact O-N 2.91Å; I43-Q45 VanDerWaalsContact C-N 3.33Å; I43-Q45 PolarHBondContact O-N 3.49Å; I43-T46 PolarHBondContact O-N 2.92Å; I43-T46 VanDerWaalsContact O-N 3.15Å; I43-I47 HydrophobicContact CG2-CD1 3.66Å; I43-I47 HydrophobicContact CG2-CG1 4.23Å; I43-I47 WeakPolarHBondContact O-CB 3.35Å; I43-I47 WeakPolarHBondContact O-CG1 3.4Å; I43-I47 PolarHBondContact O-N 3.26Å; I43-L99 HydrophobicContact CB-CD1 4.48Å; I43-L99 HydrophobicContact CD1-CD2 4.33Å; I43-L99 HydrophobicContact CG2-CD1 3.45Å; I43-L99 VanDerWaalsContact CG2-CD1 3.45Å; I43-L99 HydrophobicContact CG2-CD2 4.14Å; I43-L99 HydrophobicContact CG2-CG 4.42Å
44R88.8Confident84.9Confident59 Ų5945.8 Ų45.822%0.22323%0.234CC..Hα-helixtrans-57.3-46.4-178.9-73177.2-179.7144.5-3.8111.3L40 T41 T46 I47 K48L40-R44 VanDerWaalsContact CG-CZ 3.48Å; L40-R44 WeakPolarHBondContact O-CB 3.45Å; L40-R44 WeakPolarHBondContact O-CG 3.5Å; L40-R44 PolarHBondContact O-N 2.61Å; T41-R44 PolarHBondContact O-N 3.27Å; R44-T46 PolarHBondContact O-N 2.92Å; R44-I47 PolarHBondContact O-N 3.48Å; R44-K48 VanDerWaalsContact O-CG 3.28Å; R44-K48 WeakPolarHBondContact O-CG 3.29Å; R44-K48 PolarHBondContact O-N 3.11Å
45Q87.4Confident86.5Confident70 Ų7042.7 Ų42.733%0.32721%0.209SC..Hα-helixtrans-60-45.6176.6-174.962.658.100112T41 I43 K48 N49 E208T41-Q45 WeakPolarHBondContact O-CB 3.37Å; T41-Q45 PolarHBondContact O-N 3Å; I43-Q45 VanDerWaalsContact C-N 3.33Å; I43-Q45 PolarHBondContact O-N 3.49Å; Q45-K48 PolarHBondContact O-N 3.11Å; Q45-N49 PolarHBondContact NE2-OD1 3.04Å; Q45-N49 VanDerWaalsContact O-CG 3.26Å; Q45-N49 PolarHBondContact O-N 3.06Å; Q45-N49 PolarHBondContact O-OD1 3.22Å; Q45-E208 PolarHBondContact OE1-OE1 3.22Å
46T93.3Very high87.9Confident13 Ų1345.2 Ų45.28%0.0822%0.216CC..Hα-helixtrans-65.7-42.2-179.2-50.30000111N17 L20 V21 K42 I43 R44 K48 N49 I50N17-T46 HydrophobicContact CB-CG2 4.26Å; L20-T46 HydrophobicContact CD2-CG2 4.01Å; L20-T46 HydrophobicContact CG-CG2 4.34Å; V21-T46 HydrophobicContact CG2-CG2 3.58Å; K42-T46 WeakPolarHBondContact O-CB 3.5Å; K42-T46 PolarHBondContact O-N 3.42Å; K42-T46 PolarHBondContact O-OG1 2.9Å; I43-T46 PolarHBondContact O-N 2.92Å; I43-T46 VanDerWaalsContact O-N 3.15Å; R44-T46 PolarHBondContact O-N 2.92Å; T46-K48 VanDerWaalsContact C-N 3.32Å; T46-K48 PolarHBondContact O-N 3.03Å; T46-N49 PolarHBondContact O-N 3.44Å; T46-I50 HydrophobicContact CG2-CD1 4.38Å; T46-I50 WeakPolarHBondContact O-CD1 3.32Å; T46-I50 WeakPolarHBondContact O-CG1 3.36Å; T46-I50 PolarHBondContact O-N 3.36Å; T46-I50 VanDerWaalsContact O-N 3.11Å
47I93.7Very high88.9Confident3 Ų343.7 Ų43.72%0.01521%0.208CC..Hα-helixtrans-57.9-45.3174.1-75.1177.3000111V21 I43 R44 I50 E51 V92 A95 K96 L99V21-I47 HydrophobicContact CB-CG1 4.5Å; V21-I47 HydrophobicContact CG1-CD1 4.05Å; V21-I47 HydrophobicContact CG1-CG1 3.8Å; V21-I47 HydrophobicContact CG2-CG1 3.78Å; I43-I47 HydrophobicContact CG2-CD1 3.66Å; I43-I47 HydrophobicContact CG2-CG1 4.23Å; I43-I47 WeakPolarHBondContact O-CB 3.35Å; I43-I47 WeakPolarHBondContact O-CG1 3.4Å; I43-I47 PolarHBondContact O-N 3.26Å; R44-I47 PolarHBondContact O-N 3.48Å; I47-I50 WeakPolarHBondContact O-CB 3.4Å; I47-I50 PolarHBondContact O-N 3.1Å; I47-E51 PolarHBondContact O-N 3.4Å; I47-V92 HydrophobicContact CG2-CG1 4.05Å; I47-A95 HydrophobicContact CD1-CB 3.72Å; I47-K96 HydrophobicContact CG2-CD 3.8Å; I47-K96 HydrophobicContact CG2-CG 3.55Å; I47-L99 HydrophobicContact CD1-CD1 3.38Å
48K89.7Confident89.8Confident26 Ų2647.1 Ų47.111%0.11322%0.224CC..Hα-helixtrans-63.2-45.2178.4-72.2178.7-176.3-177.90111.9R44 Q45 T46 I50 E51 W52 E208 D211R44-K48 VanDerWaalsContact O-CG 3.28Å; R44-K48 WeakPolarHBondContact O-CG 3.29Å; R44-K48 PolarHBondContact O-N 3.11Å; Q45-K48 PolarHBondContact O-N 3.11Å; T46-K48 VanDerWaalsContact C-N 3.32Å; T46-K48 PolarHBondContact O-N 3.03Å; K48-I50 PolarHBondContact O-N 2.89Å; K48-E51 WeakPolarHBondContact O-CA 3.29Å; K48-E51 WeakPolarHBondContact O-CB 3.32Å; K48-E51 PolarHBondContact O-N 2.89Å; K48-W52 PolarHBondContact O-N 2.75Å; K48-E208 WeakPolarHBondContact CD-OE2 3.17Å; K48-E208 WeakPolarHBondContact CE-OE2 3.17Å; K48-E208 IonicContact NZ-OE1 3.98Å; K48-E208 IonicContact NZ-OE2 2.61Å; K48-E208 PolarHBondContact NZ-OE2 2.83Å; K48-D211 WeakPolarHBondContact CE-OD2 3.45Å; K48-D211 VanDerWaalsContact NZ-CB 3.32Å; K48-D211 IonicContact NZ-OD2 3.48Å; K48-D211 PolarHBondContact NZ-OD2 3.3Å
49N92.2Very high90.3Very high66 Ų6643.1 Ų43.135%0.35321%0.205SC..Hα-helixtrans-53.7-44.5175.3-66-2.2000110.8Q45 T46 E51 W52 D53Q45-N49 PolarHBondContact NE2-OD1 3.04Å; Q45-N49 VanDerWaalsContact O-CG 3.26Å; Q45-N49 PolarHBondContact O-N 3.06Å; Q45-N49 PolarHBondContact O-OD1 3.22Å; T46-N49 PolarHBondContact O-N 3.44Å; N49-E51 PolarHBondContact O-N 3.47Å; N49-W52 WeakPolarHBondContact O-CB 3.33Å; N49-W52 PolarHBondContact O-N 3.4Å; N49-D53 PolarHBondContact O-N 2.92Å
50I94.6Very high90.6Very high0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-62.9-40175.2-60.7157.5000111.5V14 N17 L18 V21 T46 I47 K48 W52 D53 L54 V92V14-I50 HydrophobicContact CG1-CG2 4.16Å; N17-I50 HydrophobicContact CB-CD1 3.79Å; N17-I50 HydrophobicContact CB-CG1 3.54Å; L18-I50 HydrophobicContact CD2-CD1 4.06Å; L18-I50 HydrophobicContact CD2-CG2 4.4Å; L18-I50 HydrophobicContact CG-CD1 4Å; L18-I50 HydrophobicContact CG-CG2 4.38Å; V21-I50 HydrophobicContact CG2-CD1 3.72Å; T46-I50 HydrophobicContact CG2-CD1 4.38Å; T46-I50 WeakPolarHBondContact O-CD1 3.32Å; T46-I50 WeakPolarHBondContact O-CG1 3.36Å; T46-I50 PolarHBondContact O-N 3.36Å; T46-I50 VanDerWaalsContact O-N 3.11Å; I47-I50 WeakPolarHBondContact O-CB 3.4Å; I47-I50 PolarHBondContact O-N 3.1Å; K48-I50 PolarHBondContact O-N 2.89Å; I50-W52 PolarHBondContact O-N 3Å; I50-D53 PolarHBondContact O-N 3.5Å; I50-L54 HydrophobicContact CG2-CD1 3.69Å; I50-L54 HydrophobicContact CG2-CG 3.93Å; I50-L54 WeakPolarHBondContact O-CB 3.45Å; I50-L54 WeakPolarHBondContact O-CG 3.22Å; I50-L54 PolarHBondContact O-N 3.43Å; I50-V92 HydrophobicContact CB-CG2 4.26Å; I50-V92 HydrophobicContact CG2-CG2 3.61Å
51E92.9Very high90.9Very high57 Ų5745.7 Ų45.727%0.26622%0.222SC..Hα-helixtrans-60.4-32.2175.9-72.9-176.8129.400113.2I47 K48 N49 M55 V92 K96I47-E51 PolarHBondContact O-N 3.4Å; K48-E51 WeakPolarHBondContact O-CA 3.29Å; K48-E51 WeakPolarHBondContact O-CB 3.32Å; K48-E51 PolarHBondContact O-N 2.89Å; N49-E51 PolarHBondContact O-N 3.47Å; E51-M55 PolarHBondContact O-N 3.04Å; E51-V92 HydrophobicContact CG-CG1 3.44Å; E51-V92 VanDerWaalsContact CG-CG1 3.44Å; E51-K96 WeakPolarHBondContact OE1-CD 3.4Å; E51-K96 IonicContact OE1-NZ 3.92Å; E51-K96 PolarHBondContact OE1-NZ 3.43Å; E51-K96 IonicContact OE2-NZ 3.59Å; E51-K96 PolarHBondContact OE2-NZ 3.33Å
52W89.9Confident91.2Very high71 Ų7144.8 Ų44.827%0.26922%0.221SC..Hα-helixtrans-69.8-51.1172-67.9105.1000111.3K48 N49 I50 L54 M55 D56 M201 R204K48-W52 PolarHBondContact O-N 2.75Å; N49-W52 WeakPolarHBondContact O-CB 3.33Å; N49-W52 PolarHBondContact O-N 3.4Å; I50-W52 PolarHBondContact O-N 3Å; W52-L54 VanDerWaalsContact C-N 3.25Å; W52-L54 PolarHBondContact O-N 2.9Å; W52-M55 WeakPolarHBondContact O-CA 3.24Å; W52-M55 WeakPolarHBondContact O-CB 3.44Å; W52-M55 PolarHBondContact O-N 3.49Å; W52-D56 PolarHBondContact O-N 2.95Å; W52-D56 VanDerWaalsContact O-N 3.1Å; W52-M201 HydrophobicContact CH2-CB 4.22Å; W52-M201 HydrophobicContact CH2-CG 3.78Å; W52-M201 HydrophobicContact CZ3-CB 4.27Å; W52-M201 HydrophobicContact CZ3-CG 4.02Å; W52-R204 HydrophobicContact CH2-CB 3.32Å; W52-R204 HydrophobicContact CH2-CG 3.85Å; W52-R204 HydrophobicContact CZ2-CB 3.19Å; W52-R204 VanDerWaalsContact CZ2-CD 3.47Å; W52-R204 HydrophobicContact CZ2-CG 3.92Å; W52-R204 HydrophobicContact CZ3-CB 4.28Å; W52-R204 HydrophobicContact CZ3-CG 4.35Å
53D92.9Very high91.1Very high25 Ų2542 Ų4213%0.13422%0.219CC..Hα-helixtrans-58.2-39.9179.3-60.2-25.6000111.7M10 V14 N49 I50 M55 D56 L57M10-D53 HydrophobicContact CE-CB 4.37Å; V14-D53 HydrophobicContact CG2-CB 3.42Å; V14-D53 VanDerWaalsContact CG2-CB 3.42Å; N49-D53 PolarHBondContact O-N 2.92Å; I50-D53 PolarHBondContact O-N 3.5Å; D53-M55 VanDerWaalsContact C-N 3.32Å; D53-M55 PolarHBondContact O-N 3.37Å; D53-D56 PolarHBondContact O-N 3.45Å; D53-L57 VanDerWaalsContact O-CB 3.29Å; D53-L57 WeakPolarHBondContact O-CB 3.13Å; D53-L57 VanDerWaalsContact O-CG 3.27Å; D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.09Å
54L95.2Very high91Very high3 Ų342.5 Ų42.52%0.01622%0.221CC..Hα-helixtrans-69.5-27.4177.4-67.3175.1000112.9V14 I50 W52 L57 Q58 L85 A88 K89 V92V14-L54 HydrophobicContact CG1-CD2 3.94Å; I50-L54 HydrophobicContact CG2-CD1 3.69Å; I50-L54 HydrophobicContact CG2-CG 3.93Å; I50-L54 WeakPolarHBondContact O-CB 3.45Å; I50-L54 WeakPolarHBondContact O-CG 3.22Å; I50-L54 PolarHBondContact O-N 3.43Å; W52-L54 VanDerWaalsContact C-N 3.25Å; W52-L54 PolarHBondContact O-N 2.9Å; L54-L57 HydrophobicContact CD2-CD1 4.42Å; L54-Q58 WeakPolarHBondContact O-CB 3.35Å; L54-Q58 PolarHBondContact O-N 2.96Å; L54-L85 HydrophobicContact CB-CD1 4.05Å; L54-L85 HydrophobicContact CD2-CD1 3.79Å; L54-L85 HydrophobicContact CG-CD1 4.5Å; L54-L85 WeakPolarHBondContact O-CD1 3.31Å; L54-A88 HydrophobicContact CD1-CB 4.08Å; L54-A88 HydrophobicContact CD2-CB 3.61Å; L54-K89 HydrophobicContact CB-CG 4.46Å; L54-K89 HydrophobicContact CD1-CG 3.88Å; L54-V92 HydrophobicContact CD1-CG2 3.99Å
55M90.7Very high90.9Very high61 Ų6142.9 Ų42.930%0.323%0.226SC..Hα-helixtrans-68.8-51.7172.6175151.5-7500110.5E51 W52 D53 L57 Q58 E59 R204E51-M55 PolarHBondContact O-N 3.04Å; W52-M55 WeakPolarHBondContact O-CA 3.24Å; W52-M55 WeakPolarHBondContact O-CB 3.44Å; W52-M55 PolarHBondContact O-N 3.49Å; D53-M55 VanDerWaalsContact C-N 3.32Å; D53-M55 PolarHBondContact O-N 3.37Å; M55-L57 VanDerWaalsContact C-N 3.27Å; M55-L57 PolarHBondContact O-N 2.89Å; M55-Q58 WeakPolarHBondContact O-CB 3.48Å; M55-Q58 PolarHBondContact O-N 3.3Å; M55-E59 PolarHBondContact O-N 3.31Å; M55-R204 PolarHBondContact SD-NH2 3.06Å
56D89.9Confident90.8Very high81 Ų8146.4 Ų46.443%0.43325%0.247SC..Hα-helixtrans-62.3-38.8-180-68.3-13.2000111W52 D53 E59 T60W52-D56 PolarHBondContact O-N 2.95Å; W52-D56 VanDerWaalsContact O-N 3.1Å; D53-D56 PolarHBondContact O-N 3.45Å; D56-E59 PolarHBondContact O-N 2.87Å; D56-T60 WeakPolarHBondContact O-CB 3.34Å; D56-T60 PolarHBondContact O-N 3.13Å; D56-T60 PolarHBondContact O-OG1 3.37Å
57L94Very high90.5Very high5 Ų549.4 Ų49.43%0.02626%0.262CS..Hα-helixtrans-62.9-40.9172.7-80.5174.2000112.4Y7 M10 V14 D53 L54 M55 T60 I61 F84 L85Y7-L57 HydrophobicContact CD2-CD2 3.79Å; Y7-L57 HydrophobicContact CE2-CD2 3.97Å; M10-L57 HydrophobicContact CB-CD1 4.42Å; M10-L57 HydrophobicContact CB-CD2 3.77Å; M10-L57 HydrophobicContact CB-CG 4.26Å; M10-L57 HydrophobicContact CG-CD2 4.45Å; V14-L57 HydrophobicContact CG2-CD1 3.94Å; D53-L57 VanDerWaalsContact O-CB 3.29Å; D53-L57 WeakPolarHBondContact O-CB 3.13Å; D53-L57 VanDerWaalsContact O-CG 3.27Å; D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.09Å; L54-L57 HydrophobicContact CD2-CD1 4.42Å; M55-L57 VanDerWaalsContact C-N 3.27Å; M55-L57 PolarHBondContact O-N 2.89Å; L57-T60 PolarHBondContact O-N 3.42Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 WeakPolarHBondContact O-CD1 3.47Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 2.98Å; L57-F84 HydrophobicContact CD1-CE1 4.24Å; L57-L85 HydrophobicContact CB-CD1 4.35Å
58Q92.8Very high89.9Confident97 Ų9751.2 Ų51.245%0.45327%0.274SS..Hα-helixtrans-62.6-46.5176.6-177.6-175-30.400111.5L54 M55 T60 I61 G62 L85L54-Q58 WeakPolarHBondContact O-CB 3.35Å; L54-Q58 PolarHBondContact O-N 2.96Å; M55-Q58 WeakPolarHBondContact O-CB 3.48Å; M55-Q58 PolarHBondContact O-N 3.3Å; Q58-T60 VanDerWaalsContact C-N 3.32Å; Q58-T60 PolarHBondContact O-N 3.37Å; Q58-I61 PolarHBondContact O-N 3.05Å; Q58-G62 PolarHBondContact O-N 3.22Å; Q58-L85 HydrophobicContact CB-CD1 4.42Å; Q58-L85 HydrophobicContact CB-CD2 3.72Å; Q58-L85 HydrophobicContact CG-CD2 4Å
59E89.9Confident89.4Confident85 Ų8556.9 Ų56.940%0.39731%0.305SS..Hα-helixtrans-61-44.3177.4-69.6-173.1-169.200110.9M55 D56 I61 G62 A63 N197M55-E59 PolarHBondContact O-N 3.31Å; D56-E59 PolarHBondContact O-N 2.87Å; E59-I61 PolarHBondContact O-N 2.89Å; E59-G62 PolarHBondContact O-N 3.19Å; E59-A63 PolarHBondContact O-N 3.39Å; E59-N197 PolarHBondContact OE2-ND2 3.16Å; E59-N197 VanDerWaalsContact OE2-ND2 3.12Å
60T89.8Confident88.9Confident77 Ų7760.5 Ų60.547%0.47232%0.317SS..Hα-helixtrans-62.7-44.6179-57.70000111.8D56 L57 Q58 A63 V64D56-T60 WeakPolarHBondContact O-CB 3.34Å; D56-T60 PolarHBondContact O-N 3.13Å; D56-T60 PolarHBondContact O-OG1 3.37Å; L57-T60 PolarHBondContact O-N 3.42Å; Q58-T60 VanDerWaalsContact C-N 3.32Å; Q58-T60 PolarHBondContact O-N 3.37Å; T60-A63 PolarHBondContact O-N 3.18Å; T60-V64 WeakPolarHBondContact O-CG2 3.46Å; T60-V64 PolarHBondContact O-N 2.93Å
61I90.1Very high88.3Confident8 Ų864.6 Ų64.64%0.04134%0.335CS..Hα-helixtrans-64.7-42.3176.9-69163.2000110.4Y7 L57 Q58 E59 A63 V64 E65 R81 R82 L85Y7-I61 HydrophobicContact CE2-CD1 4.34Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 WeakPolarHBondContact O-CD1 3.47Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 2.98Å; Q58-I61 PolarHBondContact O-N 3.05Å; E59-I61 PolarHBondContact O-N 2.89Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 2.81Å; I61-V64 WeakPolarHBondContact O-CB 3.39Å; I61-V64 PolarHBondContact O-N 3.28Å; I61-V64 VanDerWaalsContact O-N 3.17Å; I61-E65 HydrophobicContact CG2-CG 4.44Å; I61-E65 WeakPolarHBondContact O-CG 3.41Å; I61-E65 PolarHBondContact O-N 3.43Å; I61-R81 HydrophobicContact CD1-CB 3.75Å; I61-R81 HydrophobicContact CG1-CB 4.07Å; I61-R82 HydrophobicContact CG2-CG 4.01Å; I61-L85 HydrophobicContact CD1-CB 4.3Å; I61-L85 HydrophobicContact CD1-CD2 4.08Å
62G89.1Confident87.8Confident24 Ų2470.1 Ų70.125%0.24736%0.361CS..Hα-helixtrans-61.5-38.5175.700000113Q58 E59 E65 N66Q58-G62 PolarHBondContact O-N 3.22Å; E59-G62 PolarHBondContact O-N 3.19Å; G62-E65 PolarHBondContact O-N 2.83Å; G62-N66 PolarHBondContact O-N 2.75Å; G62-N66 PolarHBondContact O-ND2 3.27Å; G62-N66 VanDerWaalsContact O-ND2 3.11Å
63A86.6Confident87.5Confident52 Ų5268 Ų6843%0.4336%0.355SS..Hα-helixtrans-65.9-37.8174.400000112.5E59 T60 I61E59-A63 PolarHBondContact O-N 3.39Å; T60-A63 PolarHBondContact O-N 3.18Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 2.81Å
64V87.3Confident87.1Confident9 Ų969.5 Ų69.56%0.05537%0.367CS..Hα-helixtrans-65.9-42.7174.9167.20000111.4T60 I61 N66 N67 P68 F71 L73 I78T60-V64 WeakPolarHBondContact O-CG2 3.46Å; T60-V64 PolarHBondContact O-N 2.93Å; I61-V64 WeakPolarHBondContact O-CB 3.39Å; I61-V64 PolarHBondContact O-N 3.28Å; I61-V64 VanDerWaalsContact O-N 3.17Å; V64-N66 PolarHBondContact O-N 3.25Å; V64-N67 CarbonylContact O-C 3.21Å; V64-N67 PolarHBondContact O-N 2.84Å; V64-P68 WeakPolarHBondContact O-CA 3.31Å; V64-P68 VanDerWaalsContact O-N 3.09Å; V64-F71 HydrophobicContact CB-CD2 4.13Å; V64-F71 HydrophobicContact CB-CE2 4.47Å; V64-F71 HydrophobicContact CG1-CB 4.42Å; V64-F71 HydrophobicContact CG1-CD2 4.23Å; V64-F71 HydrophobicContact CG2-CD1 4.36Å; V64-F71 HydrophobicContact CG2-CD2 3.82Å; V64-F71 HydrophobicContact CG2-CE2 4.07Å; V64-F71 HydrophobicContact CG2-CG 3.98Å; V64-F71 HydrophobicContact CG2-CZ 4.44Å; V64-L73 HydrophobicContact CG1-CB 4.43Å; V64-L73 HydrophobicContact CG1-CD1 3.51Å; V64-L73 HydrophobicContact CG2-CD1 4.29Å; V64-I78 HydrophobicContact CG1-CD1 4.02Å; V64-I78 HydrophobicContact CG1-CG1 4Å
65E87.3Confident86.8Confident68 Ų6875.7 Ų75.732%0.31840%0.4SS..Hα-helixtrans-59.6-35.1178.4-78176.5-178.600112.8I61 G62 N67 P68 I78 R82I61-E65 HydrophobicContact CG2-CG 4.44Å; I61-E65 WeakPolarHBondContact O-CG 3.41Å; I61-E65 PolarHBondContact O-N 3.43Å; G62-E65 PolarHBondContact O-N 2.83Å; E65-N67 VanDerWaalsContact C-N 3.29Å; E65-N67 PolarHBondContact O-N 2.85Å; E65-P68 WeakPolarHBondContact O-CD 3.44Å; E65-I78 HydrophobicContact CG-CG2 3.58Å; E65-R82 VanDerWaalsContact CD-NH1 3.26Å; E65-R82 WeakPolarHBondContact OE1-CD 3.19Å; E65-R82 WeakPolarHBondContact OE1-CG 3.34Å; E65-R82 IonicContact OE1-CZ 3.08Å; E65-R82 IonicContact OE1-NE 2.73Å; E65-R82 IonicContact OE1-NH1 3.6Å; E65-R82 PolarHBondContact OE1-NH1 3.36Å; E65-R82 IonicContact OE2-NH1 3.61Å; E65-R82 PolarHBondContact OE2-NH1 3.03Å; E65-R82 VanDerWaalsContact OE2-NH1 3.08Å
66N85.6Confident86.6Confident144 Ų14480.6 Ų80.677%0.7742%0.419SS*.THydrogen-bonded Turntrans-74.9-16.8177.8-68.7-35.5000113.4G62 V64G62-N66 PolarHBondContact O-N 2.75Å; G62-N66 PolarHBondContact O-ND2 3.27Å; G62-N66 VanDerWaalsContact O-ND2 3.11Å; V64-N66 PolarHBondContact O-N 3.25Å
67N86.6Confident86.6Confident75 Ų7578.9 Ų78.940%0.40141%0.41SS..  trans-150.362.4-179.8-163.3-9000113.3V64 E65 I69 K70 F71V64-N67 CarbonylContact O-C 3.21Å; V64-N67 PolarHBondContact O-N 2.84Å; E65-N67 VanDerWaalsContact C-N 3.29Å; E65-N67 PolarHBondContact O-N 2.85Å; N67-I69 VanDerWaalsContact C-N 3.3Å; N67-I69 PolarHBondContact O-N 3.2Å; N67-K70 HydrophobicContact CB-CB 4.42Å; N67-K70 WeakPolarHBondContact O-CB 3.33Å; N67-K70 PolarHBondContact O-N 3.44Å; N67-K70 WeakPolarHBondContact OD1-CB 3.24Å; N67-F71 HydrophobicContact CB-CE2 4.43Å; N67-F71 WeakPolarHBondContact O-CD2 3.5Å
68P80.2Confident86.5Confident41 Ų4179.3 Ų79.327%0.26641%0.412SS..Hα-helixtrans-64.9-32.9-170.924.2-33.9000112.9V64 E65 K70 F71 H72 I78V64-P68 WeakPolarHBondContact O-CA 3.31Å; V64-P68 VanDerWaalsContact O-N 3.09Å; E65-P68 WeakPolarHBondContact O-CD 3.44Å; P68-K70 VanDerWaalsContact C-N 3.29Å; P68-K70 PolarHBondContact O-N 3.15Å; P68-F71 PolarHBondContact O-N 2.86Å; P68-F71 VanDerWaalsContact O-N 3.09Å; P68-H72 PolarHBondContact O-N 3.29Å; P68-H72 VanDerWaalsContact O-N 3.08Å; P68-I78 HydrophobicContact CB-CD1 4.02Å
69I79.9Confident86.5Confident146 Ų14678 Ų7875%0.74941%0.414SS*.Hα-helixtrans-60.2-40.2179.6-58.1174000110.6N67 F71 H72N67-I69 VanDerWaalsContact C-N 3.3Å; N67-I69 PolarHBondContact O-N 3.2Å; I69-F71 PolarHBondContact O-N 3.4Å; I69-H72 PolarHBondContact O-N 2.85Å
70K82.2Confident86.7Confident142 Ų14274.9 Ų74.962%0.61740%0.403SS*.Hα-helixtrans-63.1-31.6178.8-177.9-178.6176.6-173.50112.5N67 P68N67-K70 HydrophobicContact CB-CB 4.42Å; N67-K70 WeakPolarHBondContact O-CB 3.33Å; N67-K70 PolarHBondContact O-N 3.44Å; N67-K70 WeakPolarHBondContact OD1-CB 3.24Å; P68-K70 VanDerWaalsContact C-N 3.29Å; P68-K70 PolarHBondContact O-N 3.15Å
71F81.2Confident86.9Confident86 Ų8671.9 Ų71.938%0.37738%0.383SS..Hα-helixtrans-97.9-4.2-175.3-61-73.6000113.5V64 N67 P68 I69 L73V64-F71 HydrophobicContact CB-CD2 4.13Å; V64-F71 HydrophobicContact CB-CE2 4.47Å; V64-F71 HydrophobicContact CG1-CB 4.42Å; V64-F71 HydrophobicContact CG1-CD2 4.23Å; V64-F71 HydrophobicContact CG2-CD1 4.36Å; V64-F71 HydrophobicContact CG2-CD2 3.82Å; V64-F71 HydrophobicContact CG2-CE2 4.07Å; V64-F71 HydrophobicContact CG2-CG 3.98Å; V64-F71 HydrophobicContact CG2-CZ 4.44Å; N67-F71 HydrophobicContact CB-CE2 4.43Å; N67-F71 WeakPolarHBondContact O-CD2 3.5Å; P68-F71 PolarHBondContact O-N 2.86Å; P68-F71 VanDerWaalsContact O-N 3.09Å; I69-F71 PolarHBondContact O-N 3.4Å; F71-L73 HydrophobicContact CB-CD1 3.98Å; F71-L73 HydrophobicContact CB-CG 4.11Å; F71-L73 PolarHBondContact O-N 3.29Å
72H81.8Confident87.1Confident173 Ų17377.7 Ų77.780%0.80140%0.404SS*.THydrogen-bonded Turntrans53.536.7-176.9-50.9114.1000113.4P68 I69P68-H72 PolarHBondContact O-N 3.29Å; P68-H72 VanDerWaalsContact O-N 3.08Å; I69-H72 PolarHBondContact O-N 2.85Å
73L83.5Confident87.4Confident27 Ų2780.8 Ų80.814%0.14141%0.412CS..  trans-104.1135.8179.3-66.1173.7000110.1V64 F71 D77 I78V64-L73 HydrophobicContact CG1-CB 4.43Å; V64-L73 HydrophobicContact CG1-CD1 3.51Å; V64-L73 HydrophobicContact CG2-CD1 4.29Å; F71-L73 HydrophobicContact CB-CD1 3.98Å; F71-L73 HydrophobicContact CB-CG 4.11Å; F71-L73 PolarHBondContact O-N 3.29Å; L73-D77 HydrophobicContact CD2-CB 4.33Å; L73-I78 HydrophobicContact CB-CD1 4.5Å; L73-I78 HydrophobicContact CB-CG1 4.25Å
74S86.2Confident87.9Confident56 Ų5678.3 Ų78.339%0.39239%0.392SS..  trans-79157.817471.70000111K76 D77 I78S74-K76 PolarHBondContact O-N 3.43Å; S74-K76 VanDerWaalsContact O-N 3.15Å; S74-D77 WeakPolarHBondContact CB-OD2 3.5Å; S74-D77 PolarHBondContact N-OD2 2.91Å; S74-D77 WeakPolarHBondContact O-CB 3.38Å; S74-D77 PolarHBondContact O-N 2.92Å; S74-D77 PolarHBondContact OG-N 2.74Å; S74-D77 PolarHBondContact OG-OD2 2.93Å; S74-I78 PolarHBondContact O-N 3.17Å
75D87.3Confident88.2Confident132 Ų13278.5 Ų78.571%0.70639%0.392SS*.Hα-helixtrans-57-30.3173.5-65.1-35.7000112S79D75-S79 VanDerWaalsContact O-CB 3.23Å; D75-S79 WeakPolarHBondContact O-CB 3.18Å; D75-S79 PolarHBondContact O-N 2.7Å
76K88.4Confident88.5Confident164 Ų16478.9 Ų78.971%0.71340%0.399SS*.Hα-helixtrans-65.6-43.1174.2-176-178.3177.5-177.50111.6S74 S79 A80S74-K76 PolarHBondContact O-N 3.43Å; S74-K76 VanDerWaalsContact O-N 3.15Å; K76-S79 PolarHBondContact O-N 3.05Å; K76-A80 WeakPolarHBondContact O-CB 3.37Å; K76-A80 PolarHBondContact O-N 3Å
77D89.9Confident89Confident46 Ų4673.9 Ų73.925%0.24637%0.371CS..Hα-helixtrans-63.8-48.1177.4-58.2-49.5000109.9L73 S74 S79 A80 R81L73-D77 HydrophobicContact CD2-CB 4.33Å; S74-D77 WeakPolarHBondContact CB-OD2 3.5Å; S74-D77 PolarHBondContact N-OD2 2.91Å; S74-D77 WeakPolarHBondContact O-CB 3.38Å; S74-D77 PolarHBondContact O-N 2.92Å; S74-D77 PolarHBondContact OG-N 2.74Å; S74-D77 PolarHBondContact OG-OD2 2.93Å; D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 PolarHBondContact O-N 3.37Å; D77-A80 PolarHBondContact O-N 3.5Å; D77-R81 VanDerWaalsContact O-CG 3.27Å; D77-R81 WeakPolarHBondContact O-CG 3.44Å; D77-R81 PolarHBondContact O-N 3.12Å
78I91.1Very high89.5Confident13 Ų1370.3 Ų70.37%0.06735%0.352CS..Hα-helixtrans-58.7-46.1177.6-65.4169.7000110.5V64 E65 P68 L73 S74 A80 R81 R82V64-I78 HydrophobicContact CG1-CD1 4.02Å; V64-I78 HydrophobicContact CG1-CG1 4Å; E65-I78 HydrophobicContact CG-CG2 3.58Å; P68-I78 HydrophobicContact CB-CD1 4.02Å; L73-I78 HydrophobicContact CB-CD1 4.5Å; L73-I78 HydrophobicContact CB-CG1 4.25Å; S74-I78 PolarHBondContact O-N 3.17Å; I78-A80 VanDerWaalsContact C-N 3.34Å; I78-A80 PolarHBondContact O-N 3.01Å; I78-R81 PolarHBondContact O-N 2.76Å; I78-R82 WeakPolarHBondContact O-CG 3.44Å; I78-R82 PolarHBondContact O-N 3.42Å
79S92.1Very high90.2Very high71 Ų7171.9 Ų71.950%0.49736%0.355SS..Hα-helixtrans-60.5-41.3176.9-173.20000112.4D75 K76 D77 R82 Q83D75-S79 VanDerWaalsContact O-CB 3.23Å; D75-S79 WeakPolarHBondContact O-CB 3.18Å; D75-S79 PolarHBondContact O-N 2.7Å; K76-S79 PolarHBondContact O-N 3.05Å; D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 PolarHBondContact O-N 3.37Å; S79-R82 PolarHBondContact O-N 3.45Å; S79-Q83 WeakPolarHBondContact O-CB 3.27Å; S79-Q83 PolarHBondContact O-N 2.94Å
80A93.7Very high90.8Very high18 Ų1868.9 Ų68.915%0.14934%0.341CS..Hα-helixtrans-65.5-39.3176.500000111.9K76 D77 I78 Q83 F84 A120K76-A80 WeakPolarHBondContact O-CB 3.37Å; K76-A80 PolarHBondContact O-N 3Å; D77-A80 PolarHBondContact O-N 3.5Å; I78-A80 VanDerWaalsContact C-N 3.34Å; I78-A80 PolarHBondContact O-N 3.01Å; A80-Q83 WeakPolarHBondContact O-CB 3.39Å; A80-Q83 PolarHBondContact O-N 3.48Å; A80-F84 PolarHBondContact O-N 3.44Å; A80-A120 HydrophobicContact CB-CB 3.87Å
81R95.2Very high91.4Very high15 Ų1562.5 Ų62.56%0.05731%0.313CS..Hα-helixtrans-63.9-42.2174.8-62.7179-163.9-144.1-9.4112D5 Y7 I61 D77 I78 Q83 F84 L85D5-R81 IonicContact OD1-NH1 3.15Å; D5-R81 IonicContact OD2-CZ 3.74Å; D5-R81 IonicContact OD2-NH1 3.63Å; D5-R81 PolarHBondContact OD2-NH1 3.45Å; D5-R81 IonicContact OD2-NH2 3.08Å; D5-R81 PolarHBondContact OD2-NH2 3.27Å; Y7-R81 HydrophobicContact CD1-CG 4.16Å; Y7-R81 HydrophobicContact CD2-CG 4.11Å; Y7-R81 HydrophobicContact CE1-CG 3.72Å; Y7-R81 HydrophobicContact CE2-CB 3.85Å; Y7-R81 HydrophobicContact CE2-CG 3.63Å; Y7-R81 HydrophobicContact CG-CG 4.36Å; Y7-R81 VanDerWaalsContact CZ-CG 3.45Å; I61-R81 HydrophobicContact CD1-CB 3.75Å; I61-R81 HydrophobicContact CG1-CB 4.07Å; D77-R81 VanDerWaalsContact O-CG 3.27Å; D77-R81 WeakPolarHBondContact O-CG 3.44Å; D77-R81 PolarHBondContact O-N 3.12Å; I78-R81 PolarHBondContact O-N 2.76Å; R81-Q83 VanDerWaalsContact C-N 3.33Å; R81-F84 PolarHBondContact O-N 3.34Å; R81-L85 WeakPolarHBondContact O-CB 3.37Å; R81-L85 PolarHBondContact O-N 3.24Å
82R94.3Very high91.9Very high130 Ų13058.7 Ų58.749%0.49130%0.297SS..Hα-helixtrans-62.7-40.3174-71.1-179.477.3117.7-4.8112.1I61 E65 I78 S79 L85 T86I61-R82 HydrophobicContact CG2-CG 4.01Å; E65-R82 VanDerWaalsContact CD-NH1 3.26Å; E65-R82 WeakPolarHBondContact OE1-CD 3.19Å; E65-R82 WeakPolarHBondContact OE1-CG 3.34Å; E65-R82 IonicContact OE1-CZ 3.08Å; E65-R82 IonicContact OE1-NE 2.73Å; E65-R82 IonicContact OE1-NH1 3.6Å; E65-R82 PolarHBondContact OE1-NH1 3.36Å; E65-R82 IonicContact OE2-NH1 3.61Å; E65-R82 PolarHBondContact OE2-NH1 3.03Å; E65-R82 VanDerWaalsContact OE2-NH1 3.08Å; I78-R82 WeakPolarHBondContact O-CG 3.44Å; I78-R82 PolarHBondContact O-N 3.42Å; S79-R82 PolarHBondContact O-N 3.45Å; R82-L85 PolarHBondContact O-N 3.31Å; R82-T86 WeakPolarHBondContact O-CB 3.46Å; R82-T86 PolarHBondContact O-N 3.23Å; R82-T86 PolarHBondContact O-OG1 3.25Å
83Q94.7Very high92.3Very high89 Ų8956.5 Ų56.542%0.41629%0.285SS..Hα-helixtrans-61.4-52.4176.9-179.2-179.3-2.900110.3S79 A80 R81 L85 T86 E87S79-Q83 WeakPolarHBondContact O-CB 3.27Å; S79-Q83 PolarHBondContact O-N 2.94Å; A80-Q83 WeakPolarHBondContact O-CB 3.39Å; A80-Q83 PolarHBondContact O-N 3.48Å; R81-Q83 VanDerWaalsContact C-N 3.33Å; Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 2.86Å; Q83-T86 PolarHBondContact O-N 3.45Å; Q83-T86 VanDerWaalsContact O-N 3.11Å; Q83-E87 HydrophobicContact CG-CG 4.34Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.31Å; Q83-E87 PolarHBondContact NE2-OE1 3.35Å; Q83-E87 WeakPolarHBondContact O-CG 3.44Å; Q83-E87 PolarHBondContact O-N 3.06Å
84F97.1Very high92.6Very high0 Ų058.7 Ų58.70%030%0.297CS..Hα-helixtrans-53-50.1175.7172.4-99.4000111.7Y7 Q11 V14 L57 A80 R81 T86 E87 A88 I117 V119Y7-F84 WeakPolarHBondContact OH-CD1 3.42Å; Q11-F84 HydrophobicContact CB-CE1 4.35Å; Q11-F84 HydrophobicContact CB-CZ 4.4Å; Q11-F84 HydrophobicContact CG-CD1 4.25Å; Q11-F84 HydrophobicContact CG-CD2 4.21Å; Q11-F84 HydrophobicContact CG-CE1 3.91Å; Q11-F84 HydrophobicContact CG-CE2 3.85Å; Q11-F84 HydrophobicContact CG-CG 4.39Å; Q11-F84 HydrophobicContact CG-CZ 3.68Å; V14-F84 HydrophobicContact CB-CE1 4.34Å; V14-F84 HydrophobicContact CB-CZ 4.01Å; V14-F84 HydrophobicContact CG1-CE1 3.97Å; V14-F84 HydrophobicContact CG1-CZ 3.59Å; L57-F84 HydrophobicContact CD1-CE1 4.24Å; A80-F84 PolarHBondContact O-N 3.44Å; R81-F84 PolarHBondContact O-N 3.34Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 3.1Å; F84-E87 PolarHBondContact O-N 3.39Å; F84-A88 VanDerWaalsContact O-CB 3.24Å; F84-A88 WeakPolarHBondContact O-CB 3.23Å; F84-A88 PolarHBondContact O-N 2.9Å; F84-I117 HydrophobicContact CD2-CG2 3.58Å; F84-I117 HydrophobicContact CE2-CG2 3.74Å; F84-V119 HydrophobicContact CE2-CG2 4.49Å
85L94.6Very high92.7Very high13 Ų1356 Ų567%0.06828%0.278CS..Hα-helixtrans-58.2-42.9178.3177.365.1000112.2L54 L57 Q58 I61 R81 R82 Q83 K89L54-L85 HydrophobicContact CB-CD1 4.05Å; L54-L85 HydrophobicContact CD2-CD1 3.79Å; L54-L85 HydrophobicContact CG-CD1 4.5Å; L54-L85 WeakPolarHBondContact O-CD1 3.31Å; L57-L85 HydrophobicContact CB-CD1 4.35Å; Q58-L85 HydrophobicContact CB-CD1 4.42Å; Q58-L85 HydrophobicContact CB-CD2 3.72Å; Q58-L85 HydrophobicContact CG-CD2 4Å; I61-L85 HydrophobicContact CD1-CB 4.3Å; I61-L85 HydrophobicContact CD1-CD2 4.08Å; R81-L85 WeakPolarHBondContact O-CB 3.37Å; R81-L85 PolarHBondContact O-N 3.24Å; R82-L85 PolarHBondContact O-N 3.31Å; Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 2.86Å; L85-K89 HydrophobicContact CD1-CD 4.36Å; L85-K89 HydrophobicContact CD1-CG 4.5Å; L85-K89 HydrophobicContact CG-CD 4.4Å; L85-K89 WeakPolarHBondContact O-CB 3.39Å; L85-K89 WeakPolarHBondContact O-CG 3.36Å; L85-K89 PolarHBondContact O-N 2.9Å
86T94.1Very high92.7Very high76 Ų7653 Ų5347%0.46626%0.259SS..Hα-helixtrans-68.4-46.4-178.9-57.50000111.1R82 Q83 F84 K89 N90R82-T86 WeakPolarHBondContact O-CB 3.46Å; R82-T86 PolarHBondContact O-N 3.23Å; R82-T86 PolarHBondContact O-OG1 3.25Å; Q83-T86 PolarHBondContact O-N 3.45Å; Q83-T86 VanDerWaalsContact O-N 3.11Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 3.1Å; T86-K89 PolarHBondContact O-N 3.47Å; T86-N90 VanDerWaalsContact O-CG 3.24Å; T86-N90 PolarHBondContact O-N 2.97Å; T86-N90 PolarHBondContact O-ND2 3.44Å
87E95.7Very high92.5Very high39 Ų3948.9 Ų48.918%0.18225%0.245CC..Hα-helixtrans-63.8-47.3178.2-69.9179.9-174.100111.1Q83 F84 K89 N90 V91 I117 H118Q83-E87 HydrophobicContact CG-CG 4.34Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.31Å; Q83-E87 PolarHBondContact NE2-OE1 3.35Å; Q83-E87 WeakPolarHBondContact O-CG 3.44Å; Q83-E87 PolarHBondContact O-N 3.06Å; F84-E87 PolarHBondContact O-N 3.39Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 2.89Å; E87-N90 WeakPolarHBondContact O-CB 3.08Å; E87-N90 PolarHBondContact O-N 3.26Å; E87-N90 VanDerWaalsContact O-N 3.09Å; E87-V91 WeakPolarHBondContact O-CG2 3.49Å; E87-V91 PolarHBondContact O-N 3.45Å; E87-I117 HydrophobicContact CB-CG1 4.38Å; E87-I117 HydrophobicContact CB-CG2 4.3Å; E87-I117 WeakPolarHBondContact OE2-CA 3.24Å; E87-H118 IonicContact OE1-CE1 3.04Å; E87-H118 IonicContact OE1-CG 3.73Å; E87-H118 IonicContact OE1-ND1 2.93Å; E87-H118 PolarHBondContact OE1-ND1 3.44Å; E87-H118 VanDerWaalsContact OE1-ND1 3.08Å; E87-H118 WeakPolarHBondContact OE2-CB 3.47Å; E87-H118 IonicContact OE2-CG 2.69Å; E87-H118 PolarHBondContact OE2-N 2.96Å; E87-H118 IonicContact OE2-ND1 2.85Å; E87-H118 PolarHBondContact OE2-ND1 2.98Å
88A96.9Very high92.2Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-59.1-43.2177.200000112.2V14 L18 L54 F84 N90 V91 V92 I117V14-A88 HydrophobicContact CG1-CB 4.43Å; L18-A88 HydrophobicContact CD1-CB 4.07Å; L54-A88 HydrophobicContact CD1-CB 4.08Å; L54-A88 HydrophobicContact CD2-CB 3.61Å; F84-A88 VanDerWaalsContact O-CB 3.24Å; F84-A88 WeakPolarHBondContact O-CB 3.23Å; F84-A88 PolarHBondContact O-N 2.9Å; A88-N90 VanDerWaalsContact C-N 3.33Å; A88-N90 PolarHBondContact O-N 2.9Å; A88-V91 PolarHBondContact O-N 3.28Å; A88-V92 WeakPolarHBondContact O-CB 3.5Å; A88-V92 WeakPolarHBondContact O-CG2 3.36Å; A88-V92 PolarHBondContact O-N 3.43Å; A88-I117 HydrophobicContact CB-CD1 4.31Å
89K94.6Very high91.7Very high73 Ų7347.2 Ų47.232%0.31724%0.238SC..Hα-helixtrans-61.2-40.4174.1-79.4179.8174.3-169.10113L54 L85 T86 E87 V92 K93L54-K89 HydrophobicContact CB-CG 4.46Å; L54-K89 HydrophobicContact CD1-CG 3.88Å; L85-K89 HydrophobicContact CD1-CD 4.36Å; L85-K89 HydrophobicContact CD1-CG 4.5Å; L85-K89 HydrophobicContact CG-CD 4.4Å; L85-K89 WeakPolarHBondContact O-CB 3.39Å; L85-K89 WeakPolarHBondContact O-CG 3.36Å; L85-K89 PolarHBondContact O-N 2.9Å; T86-K89 PolarHBondContact O-N 3.47Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 2.89Å; K89-V92 PolarHBondContact O-N 3.3Å; K89-K93 VanDerWaalsContact O-CB 3.29Å; K89-K93 WeakPolarHBondContact O-CB 3.43Å; K89-K93 PolarHBondContact O-N 3.48Å
90N92Very high90.9Very high84 Ų8448.5 Ų48.545%0.44924%0.239SC..Hα-helixtrans-65.1-42.9177.7-71.8-22000111.1T86 E87 A88 K93 N94T86-N90 VanDerWaalsContact O-CG 3.24Å; T86-N90 PolarHBondContact O-N 2.97Å; T86-N90 PolarHBondContact O-ND2 3.44Å; E87-N90 WeakPolarHBondContact O-CB 3.08Å; E87-N90 PolarHBondContact O-N 3.26Å; E87-N90 VanDerWaalsContact O-N 3.09Å; A88-N90 VanDerWaalsContact C-N 3.33Å; A88-N90 PolarHBondContact O-N 2.9Å; N90-K93 PolarHBondContact O-N 3.48Å; N90-N94 WeakPolarHBondContact O-CB 3.18Å; N90-N94 PolarHBondContact O-N 3.27Å; N90-N94 PolarHBondContact O-ND2 3.44Å; N90-N94 PolarHBondContact O-OD1 3.47Å
91V94.7Very high89.7Confident7 Ų750.8 Ų50.84%0.04225%0.253CS..Hα-helixtrans-60.6-48175.3173.60000111.3L18 E87 A88 K93 N94 A95 D114 F115 I117L18-V91 HydrophobicContact CD2-CB 4.33Å; L18-V91 HydrophobicContact CD2-CG1 3.81Å; E87-V91 WeakPolarHBondContact O-CG2 3.49Å; E87-V91 PolarHBondContact O-N 3.45Å; A88-V91 PolarHBondContact O-N 3.28Å; V91-K93 PolarHBondContact O-N 3Å; V91-N94 PolarHBondContact O-N 2.87Å; V91-A95 WeakPolarHBondContact O-CB 3.32Å; V91-A95 PolarHBondContact O-N 2.91Å; V91-D114 WeakPolarHBondContact CG2-O 3.4Å; V91-F115 HydrophobicContact CG1-CD1 3.37Å; V91-F115 HydrophobicContact CG1-CE1 3.69Å; V91-F115 HydrophobicContact CG1-CG 4.15Å; V91-I117 HydrophobicContact CB-CD1 4.12Å; V91-I117 HydrophobicContact CG1-CD1 4.43Å; V91-I117 HydrophobicContact CG2-CD1 3.76Å; V91-I117 HydrophobicContact CG2-CG1 3.76Å
92V93.1Very high88Confident6 Ų650.7 Ų50.74%0.03626%0.255CS..Hα-helixtrans-57.8-46.8176.2164.20000111.5L18 I47 I50 E51 L54 A88 K89 A95 K96L18-V92 HydrophobicContact CD2-CG2 4.08Å; I47-V92 HydrophobicContact CG2-CG1 4.05Å; I50-V92 HydrophobicContact CB-CG2 4.26Å; I50-V92 HydrophobicContact CG2-CG2 3.61Å; E51-V92 HydrophobicContact CG-CG1 3.44Å; E51-V92 VanDerWaalsContact CG-CG1 3.44Å; L54-V92 HydrophobicContact CD1-CG2 3.99Å; A88-V92 WeakPolarHBondContact O-CB 3.5Å; A88-V92 WeakPolarHBondContact O-CG2 3.36Å; A88-V92 PolarHBondContact O-N 3.43Å; K89-V92 PolarHBondContact O-N 3.3Å; V92-A95 PolarHBondContact O-N 2.9Å; V92-K96 HydrophobicContact CG1-CD 4.33Å; V92-K96 WeakPolarHBondContact O-CG 3.36Å; V92-K96 PolarHBondContact O-N 3.36Å
93K88.8Confident86.3Confident127 Ų12750.8 Ų50.855%0.55227%0.265SS*.Hα-helixtrans-61.2-46.3178-178-179.4178.2-177.80111.7K89 N90 V91 A95 K96 N97K89-K93 VanDerWaalsContact O-CB 3.29Å; K89-K93 WeakPolarHBondContact O-CB 3.43Å; K89-K93 PolarHBondContact O-N 3.48Å; N90-K93 PolarHBondContact O-N 3.48Å; V91-K93 PolarHBondContact O-N 3Å; K93-A95 VanDerWaalsContact C-N 3.35Å; K93-K96 PolarHBondContact O-N 3.04Å; K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 PolarHBondContact O-ND2 3.47Å; K93-N97 PolarHBondContact O-OD1 2.88Å
94N89.9Confident84.3Confident73 Ų7353.2 Ų53.239%0.3928%0.281SS..Hα-helixtrans-62.7-43.8178.5-68.7-14.4000111N90 V91 K96 N97 C98 I113N90-N94 WeakPolarHBondContact O-CB 3.18Å; N90-N94 PolarHBondContact O-N 3.27Å; N90-N94 PolarHBondContact O-ND2 3.44Å; N90-N94 PolarHBondContact O-OD1 3.47Å; V91-N94 PolarHBondContact O-N 2.87Å; N94-K96 PolarHBondContact O-N 3.39Å; N94-N97 PolarHBondContact O-N 3.2Å; N94-C98 PolarHBondContact O-N 2.76Å; N94-C98 PolarHBondContact O-SG 3.44Å; N94-C98 VanDerWaalsContact O-SG 3.39Å; N94-I113 HydrophobicContact CB-CG2 4.13Å
95A89.4Confident82.3Confident0 Ų056.5 Ų56.50%032%0.315CS..Hα-helixtrans-60.2-45.4175.900000112.5V21 I47 V91 V92 K93 N97 C98 L99 I113V21-A95 HydrophobicContact CG1-CB 4.5Å; I47-A95 HydrophobicContact CD1-CB 3.72Å; V91-A95 WeakPolarHBondContact O-CB 3.32Å; V91-A95 PolarHBondContact O-N 2.91Å; V92-A95 PolarHBondContact O-N 2.9Å; K93-A95 VanDerWaalsContact C-N 3.35Å; A95-N97 PolarHBondContact O-N 2.85Å; A95-C98 PolarHBondContact O-N 2.74Å; A95-L99 WeakPolarHBondContact O-CD1 3.15Å; A95-L99 WeakPolarHBondContact O-CG 3.21Å; A95-L99 PolarHBondContact O-N 2.8Å; A95-I113 HydrophobicContact CB-CD1 4.06Å
96K86.8Confident80.3Confident68 Ų6858.7 Ų58.730%0.29633%0.332SS..Hα-helixtrans-59.6-45.1175.1-74179.370.9162.30112.2I47 E51 V92 K93 N94 C98 L99 N100I47-K96 HydrophobicContact CG2-CD 3.8Å; I47-K96 HydrophobicContact CG2-CG 3.55Å; E51-K96 WeakPolarHBondContact OE1-CD 3.4Å; E51-K96 IonicContact OE1-NZ 3.92Å; E51-K96 PolarHBondContact OE1-NZ 3.43Å; E51-K96 IonicContact OE2-NZ 3.59Å; E51-K96 PolarHBondContact OE2-NZ 3.33Å; V92-K96 HydrophobicContact CG1-CD 4.33Å; V92-K96 WeakPolarHBondContact O-CG 3.36Å; V92-K96 PolarHBondContact O-N 3.36Å; K93-K96 PolarHBondContact O-N 3.04Å; N94-K96 PolarHBondContact O-N 3.39Å; K96-C98 VanDerWaalsContact C-N 3.34Å; K96-C98 PolarHBondContact O-N 3.3Å; K96-L99 PolarHBondContact O-N 2.92Å; K96-N100 WeakPolarHBondContact O-CB 3.37Å; K96-N100 PolarHBondContact O-N 3.43Å; K96-N100 PolarHBondContact O-OD1 3.35Å
97N84.3Confident78.6Confident78 Ų7857.5 Ų57.542%0.41732%0.32SS..Hα-helixtrans-61.9-42.2-179.3-68.1-15000112.2K93 N94 A95 N100 S101K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 PolarHBondContact O-ND2 3.47Å; K93-N97 PolarHBondContact O-OD1 2.88Å; N94-N97 PolarHBondContact O-N 3.2Å; A95-N97 PolarHBondContact O-N 2.85Å; N97-N100 PolarHBondContact O-N 3.33Å; N97-S101 WeakPolarHBondContact O-CB 3.48Å; N97-S101 PolarHBondContact O-N 3.26Å; N97-S101 PolarHBondContact O-OG 3.43Å
98C82.3Confident76.7Confident21 Ų2164.5 Ų64.514%0.14235%0.345CS..Hα-helixtrans-65.2-40176.4-690000112.2Y25 N94 A95 K96 S102 I113Y25-C98 HydrophobicContact CE2-CB 4.1Å; N94-C98 PolarHBondContact O-N 2.76Å; N94-C98 PolarHBondContact O-SG 3.44Å; N94-C98 VanDerWaalsContact O-SG 3.39Å; A95-C98 PolarHBondContact O-N 2.74Å; K96-C98 VanDerWaalsContact C-N 3.34Å; K96-C98 PolarHBondContact O-N 3.3Å; C98-S102 WeakPolarHBondContact O-CB 3.24Å; C98-S102 PolarHBondContact O-N 2.81Å; C98-I113 HydrophobicContact CB-CD1 3.94Å; C98-I113 HydrophobicContact CB-CG1 4.3Å
99L80.8Confident75Confident4 Ų470.9 Ų70.92%0.02138%0.379CS..Hα-helixtrans-70.1-35.7179.2-64.8165.2000112.5Y25 W28 L40 I43 I47 A95 K96Y25-L99 HydrophobicContact CD2-CD2 4.12Å; Y25-L99 HydrophobicContact CE2-CD2 4.28Å; W28-L99 HydrophobicContact CE3-CD2 4.3Å; W28-L99 HydrophobicContact CH2-CD2 4.16Å; W28-L99 HydrophobicContact CZ3-CD2 4.08Å; L40-L99 HydrophobicContact CD1-CD2 3.59Å; I43-L99 HydrophobicContact CB-CD1 4.48Å; I43-L99 HydrophobicContact CD1-CD2 4.33Å; I43-L99 HydrophobicContact CG2-CD1 3.45Å; I43-L99 VanDerWaalsContact CG2-CD1 3.45Å; I43-L99 HydrophobicContact CG2-CD2 4.14Å; I43-L99 HydrophobicContact CG2-CG 4.42Å; I47-L99 HydrophobicContact CD1-CD1 3.38Å; A95-L99 WeakPolarHBondContact O-CD1 3.15Å; A95-L99 WeakPolarHBondContact O-CG 3.21Å; A95-L99 PolarHBondContact O-N 2.8Å; K96-L99 PolarHBondContact O-N 2.92Å
100N75.7Confident73.6Confident98 Ų9869.5 Ų69.552%0.52438%0.375SS..Hα-helixtrans-74.9-37.7178.7-67.5-9.5000112.1K96 N97 S102K96-N100 WeakPolarHBondContact O-CB 3.37Å; K96-N100 PolarHBondContact O-N 3.43Å; K96-N100 PolarHBondContact O-OD1 3.35Å; N97-N100 PolarHBondContact O-N 3.33Å; N100-S102 PolarHBondContact O-N 2.69Å
101S68.5Low72.5Confident65 Ų6569.9 Ų69.946%0.45538%0.382SS..Hα-helixtrans-68.2-27.8178.8-55.80000112.2N97 D103 N104N97-S101 WeakPolarHBondContact O-CB 3.48Å; N97-S101 PolarHBondContact O-N 3.26Å; N97-S101 PolarHBondContact O-OG 3.43Å; S101-D103 PolarHBondContact O-N 3.09Å; S101-N104 PolarHBondContact O-N 2.79Å
102S60.2Low71.8Confident14 Ų1473.8 Ų73.810%0.09841%0.407CS..G310 helixtrans-70.5-15.1-176.3-151.20000114.9W28 C98 N100 N104 G105W28-S102 VanDerWaalsContact CH2-CB 3.42Å; W28-S102 WeakPolarHBondContact CH2-OG 3.44Å; C98-S102 WeakPolarHBondContact O-CB 3.24Å; C98-S102 PolarHBondContact O-N 2.81Å; N100-S102 PolarHBondContact O-N 2.69Å; S102-N104 PolarHBondContact O-N 3.38Å; S102-N104 VanDerWaalsContact O-N 3.15Å; S102-G105 PolarHBondContact O-N 3.3Å
103D58.3Low71.4Confident131 Ų13174.2 Ų74.270%0.70141%0.41SS*.G310 helixtrans-57-27.9173.6-164.338.4000111.8S101 G105S101-D103 PolarHBondContact O-N 3.09Å; D103-G105 PolarHBondContact O-N 3.33Å; D103-G105 VanDerWaalsContact O-N 3.12Å
104N51.9Low71.4Confident141 Ų14173 Ų7375%0.75441%0.409SS*.G310 helixtrans-83.422.7-179.3-68.7-45.4000115.1S101 S102 S106S101-N104 PolarHBondContact O-N 2.79Å; S102-N104 PolarHBondContact O-N 3.38Å; S102-N104 VanDerWaalsContact O-N 3.15Å; N104-S106 PolarHBondContact O-N 3.39Å
105G54.8Low71.5Confident69 Ų6970.1 Ų70.171%0.71139%0.393SS*.SBendtrans74.4-3.317000000116.1S102 D103 K107S102-G105 PolarHBondContact O-N 3.3Å; D103-G105 PolarHBondContact O-N 3.33Å; D103-G105 VanDerWaalsContact O-N 3.12Å; G105-K107 VanDerWaalsContact C-N 3.25Å; G105-K107 PolarHBondContact O-N 3.5Å; G105-K107 VanDerWaalsContact O-N 3.15Å
106S54.5Low71.7Confident59 Ų5974.1 Ų74.141%0.41342%0.418SS..  trans-90.251.7177.2-166.80000111.8N104 R108N104-S106 PolarHBondContact O-N 3.39Å; S106-R108 PolarHBondContact O-N 3.28Å
107K57.8Low72.1Confident51 Ų5171.8 Ų71.822%0.22241%0.408CS..THydrogen-bonded Turntrans-57.9-16.4-174.8-141.9-177.6-174.4-165.70114.7W28 R31 N33 G105W28-K107 HydrophobicContact CZ2-CG 4.41Å; R31-K107 PolarHBondContact O-NZ 2.94Å; R31-K107 VanDerWaalsContact O-NZ 3.11Å; N33-K107 PolarHBondContact O-NZ 3.24Å; N33-K107 VanDerWaalsContact O-NZ 3.15Å; G105-K107 VanDerWaalsContact C-N 3.25Å; G105-K107 PolarHBondContact O-N 3.5Å; G105-K107 VanDerWaalsContact O-N 3.15Å
108R56.5Low72.5Confident185 Ų18573 Ų7370%0.69841%0.411SS*.THydrogen-bonded Turntrans-108.2-18.1-161.6-110.5178.8179.8163.10.4116.9S106S106-R108 PolarHBondContact O-N 3.28Å
109N60Low73.1Confident134 Ų13474.9 Ų74.972%0.71742%0.422SS*.  trans-109.9-3.5-167-63.1-24000114.2
110D65.7Low73.6Confident45 Ų4575.2 Ų75.224%0.24143%0.425CS..SBendtrans-68.8138.3177.5-67.9-27.9000110.6R29R29-D110 PolarHBondContact NH2-O 2.97Å
111P69Low74.3Confident92 Ų9274.6 Ų74.660%0.59743%0.426SS*.PPolyproline II helixtrans-60.9149.9178.924.3-32.4000110.8I113P111-I113 PolarHBondContact O-N 3.29Å
112P79.6Confident75.1Confident88 Ų8877.9 Ų77.957%0.57143%0.429SS*.PPolyproline II helixtrans-55.9137.4172.9-16.127.5000110.5
113I85.1Confident75.7Confident16 Ų1681.1 Ų81.18%0.08245%0.45CS..PPolyproline II helixtrans-73.4130.8172.7-60.8159.6000108.3Y25 N94 A95 C98 P111 F115Y25-I113 HydrophobicContact CD1-CD1 3.96Å; Y25-I113 HydrophobicContact CD2-CD1 3.88Å; Y25-I113 HydrophobicContact CE1-CD1 3.61Å; Y25-I113 HydrophobicContact CE1-CG1 4.12Å; Y25-I113 HydrophobicContact CE2-CD1 3.52Å; Y25-I113 HydrophobicContact CG-CD1 4.09Å; N94-I113 HydrophobicContact CB-CG2 4.13Å; A95-I113 HydrophobicContact CB-CD1 4.06Å; C98-I113 HydrophobicContact CB-CD1 3.94Å; C98-I113 HydrophobicContact CB-CG1 4.3Å; P111-I113 PolarHBondContact O-N 3.29Å; I113-F115 HydrophobicContact CB-CD2 4.1Å; I113-F115 HydrophobicContact CB-CE2 3.62Å; I113-F115 HydrophobicContact CB-CZ 4.24Å; I113-F115 HydrophobicContact CD1-CE2 4.28Å; I113-F115 HydrophobicContact CD1-CZ 4.27Å; I113-F115 HydrophobicContact CG2-CD2 3.96Å; I113-F115 HydrophobicContact CG2-CE2 3.68Å; I113-F115 HydrophobicContact CG2-CZ 3.98Å; I113-F115 WeakPolarHBondContact O-CD2 3.45Å; I113-F115 PolarHBondContact O-N 3.45Å
114D88.9Confident75.3Confident100 Ų10081.1 Ų81.154%0.53546%0.46SS..PPolyproline II helixtrans-76.3117.4168.2-175.919.6000110V91 T116V91-D114 WeakPolarHBondContact CG2-O 3.4Å; D114-T116 WeakPolarHBondContact OD1-CB 3.14Å; D114-T116 PolarHBondContact OD1-N 3.07Å; D114-T116 PolarHBondContact OD1-OG1 3.17Å
115F92.7Very high75.2Confident13 Ų1379 Ų796%0.05746%0.456CS..  trans-101.318.6176.4-76-89.4000111.9V21 K22 Y25 V91 I113 I117V21-F115 HydrophobicContact CB-CE1 4.4Å; V21-F115 HydrophobicContact CG1-CE1 3.88Å; V21-F115 HydrophobicContact CG1-CZ 4.12Å; K22-F115 HydrophobicContact CB-CB 4.47Å; K22-F115 HydrophobicContact CB-CD1 3.79Å; K22-F115 HydrophobicContact CB-CD2 3.98Å; K22-F115 HydrophobicContact CB-CE1 3.94Å; K22-F115 HydrophobicContact CB-CE2 4.09Å; K22-F115 HydrophobicContact CB-CG 3.83Å; K22-F115 HydrophobicContact CB-CZ 4.09Å; K22-F115 HydrophobicContact CD-CB 3.92Å; K22-F115 HydrophobicContact CD-CD2 4.23Å; K22-F115 HydrophobicContact CD-CG 4.08Å; K22-F115 HydrophobicContact CG-CB 4.32Å; K22-F115 HydrophobicContact CG-CD1 4.39Å; K22-F115 HydrophobicContact CG-CD2 3.74Å; K22-F115 HydrophobicContact CG-CE2 4.09Å; K22-F115 HydrophobicContact CG-CG 3.91Å; Y25-F115 HydrophobicContact CD1-CE2 4.42Å; V91-F115 HydrophobicContact CG1-CD1 3.37Å; V91-F115 HydrophobicContact CG1-CE1 3.69Å; V91-F115 HydrophobicContact CG1-CG 4.15Å; I113-F115 HydrophobicContact CB-CD2 4.1Å; I113-F115 HydrophobicContact CB-CE2 3.62Å; I113-F115 HydrophobicContact CB-CZ 4.24Å; I113-F115 HydrophobicContact CD1-CE2 4.28Å; I113-F115 HydrophobicContact CD1-CZ 4.27Å; I113-F115 HydrophobicContact CG2-CD2 3.96Å; I113-F115 HydrophobicContact CG2-CE2 3.68Å; I113-F115 HydrophobicContact CG2-CZ 3.98Å; I113-F115 WeakPolarHBondContact O-CD2 3.45Å; I113-F115 PolarHBondContact O-N 3.45Å; F115-I117 PolarHBondContact O-N 2.95Å
116T92.6Very high74.2Confident85 Ų8581 Ų8152%0.52146%0.459SS..  trans-71.6120.3179.3-58.60000110.4D114D114-T116 WeakPolarHBondContact OD1-CB 3.14Å; D114-T116 PolarHBondContact OD1-N 3.07Å; D114-T116 PolarHBondContact OD1-OG1 3.17Å
117I94.3Very high73.8Confident19 Ų1983.8 Ų83.810%0.09748%0.476CS..  trans-139.2134.3-179.7-62.7169.6000109.4L18 F84 E87 A88 V91 F115L18-I117 HydrophobicContact CB-CD1 4.48Å; L18-I117 HydrophobicContact CD1-CD1 3.35Å; L18-I117 HydrophobicContact CD2-CD1 4.2Å; L18-I117 HydrophobicContact CG-CD1 4.22Å; F84-I117 HydrophobicContact CD2-CG2 3.58Å; F84-I117 HydrophobicContact CE2-CG2 3.74Å; E87-I117 HydrophobicContact CB-CG1 4.38Å; E87-I117 HydrophobicContact CB-CG2 4.3Å; E87-I117 WeakPolarHBondContact OE2-CA 3.24Å; A88-I117 HydrophobicContact CB-CD1 4.31Å; V91-I117 HydrophobicContact CB-CD1 4.12Å; V91-I117 HydrophobicContact CG1-CD1 4.43Å; V91-I117 HydrophobicContact CG2-CD1 3.76Å; V91-I117 HydrophobicContact CG2-CG1 3.76Å; F115-I117 PolarHBondContact O-N 2.95Å
118H94.7Very high73.1Confident104 Ų10487.1 Ų87.148%0.48150%0.503SS..  trans-92.7110175.9-6085.2000109.9E87E87-H118 IonicContact OE1-CE1 3.04Å; E87-H118 IonicContact OE1-CG 3.73Å; E87-H118 IonicContact OE1-ND1 2.93Å; E87-H118 PolarHBondContact OE1-ND1 3.44Å; E87-H118 VanDerWaalsContact OE1-ND1 3.08Å; E87-H118 WeakPolarHBondContact OE2-CB 3.47Å; E87-H118 IonicContact OE2-CG 2.69Å; E87-H118 PolarHBondContact OE2-N 2.96Å; E87-H118 IonicContact OE2-ND1 2.85Å; E87-H118 PolarHBondContact OE2-ND1 2.98Å
119V94.7Very high72.2Confident60 Ų6083.7 Ų83.736%0.36451%0.507SS..PPolyproline II helixtrans-72.6133.8175.21780000108.7Q11 F15 F84Q11-V119 VanDerWaalsContact CD-CG1 3.4Å; Q11-V119 HydrophobicContact CG-CG1 4Å; F15-V119 HydrophobicContact CD2-CG2 3.54Å; F15-V119 HydrophobicContact CE2-CG2 3.81Å; F15-V119 HydrophobicContact CG-CG2 4.1Å; F84-V119 HydrophobicContact CE2-CG2 4.49Å
120A90.9Very high71.2Confident10 Ų1082.5 Ų82.58%0.08351%0.509CS..PPolyproline II helixtrans-64.8133.8178.400000109.8Y7 Q11 A80Y7-A120 HydrophobicContact CE1-CB 4.02Å; Q11-A120 PolarHBondContact NE2-O 3.34Å; A80-A120 HydrophobicContact CB-CB 3.87Å
121P89.4Confident69.8Low85 Ų8586.2 Ų86.255%0.55253%0.533SS*.PPolyproline II helixtrans-69138.8-174.827.7-33.6000110.8
122R86.5Confident68.2Low134 Ų13488.3 Ų88.351%0.50654%0.539SS..PPolyproline II helixtrans-72.1137.9171.3-166.1176.2-75.7-98.96.2108.9F8 S124F8-R122 HydrophobicContact CD2-CG 4.47Å; F8-R122 HydrophobicContact CE1-CB 4.24Å; F8-R122 HydrophobicContact CE2-CG 4.19Å; F8-R122 HydrophobicContact CZ-CB 4.28Å; F8-R122 HydrophobicContact CZ-CG 4.23Å; R122-S124 PolarHBondContact O-N 3.32Å
123P71.6Confident65.9Low83 Ų8390.2 Ų90.254%0.53955%0.553SS.*PPolyproline II helixtrans-54.7126.5174.218.1-29.4000109.6S125P123-S125 VanDerWaalsContact C-N 3.26Å; P123-S125 PolarHBondContact O-N 3.28Å
124S51.3Low63.6Low130 Ų13096 Ų9691%0.90958%0.583SS**  trans-7480-18059.50000109.8R122R122-S124 PolarHBondContact O-N 3.32Å
125S48.7Very low61Low97 Ų9794.5 Ų94.568%0.67859%0.592SS**  trans-107.3112.6159.8580000108.5P123P123-S125 VanDerWaalsContact C-N 3.26Å; P123-S125 PolarHBondContact O-N 3.28Å
126S34.5Very low58.2Low111 Ų111101.4 Ų101.478%0.77663%0.63SS**SBendtrans-8.4159.3159.7510000120.1
127P45Very low55.3Low118 Ų118105.3 Ų105.377%0.76665%0.646SS**SBend-76.7171.3-115.543.6-34.7000115S129P127-S129 PolarHBondContact O-N 3.15Å
128P43.8Very low52.4Low121 Ų121113.6 Ų113.679%0.78668%0.682SS**  trans-79.5123.9-152.331.9-30.6000111.8S130P128-S130 PolarHBondContact O-N 3.24Å
129S38.3Very low49.5Very low113 Ų113114.4 Ų114.479%0.7969%0.694SS**  trans-64107.6154.9-76.50000107.4P127 V131P127-S129 PolarHBondContact O-N 3.15Å; S129-V131 VanDerWaalsContact C-N 3.34Å; S129-V131 PolarHBondContact O-N 2.96Å
130S37.4Very low46.7Very low109 Ų109117.6 Ų117.676%0.76271%0.709SS**  trans-48.194.8168.351.90000110.2P128P128-S130 PolarHBondContact O-N 3.24Å
131V37.7Very low44Very low123 Ų123123.5 Ų123.575%0.74574%0.739SS**  trans-99.2100154.7-176.80000105S129 C133S129-V131 VanDerWaalsContact C-N 3.34Å; S129-V131 PolarHBondContact O-N 2.96Å; V131-C133 VanDerWaalsContact C-N 3.32Å; V131-C133 PolarHBondContact O-N 2.88Å
132L33.9Very low41.5Very low136 Ų136127.1 Ų127.171%0.71275%0.749SS**  trans-49.997.8163.5-72.6158.9000108.2N134L132-N134 PolarHBondContact O-N 3.06Å
133C31.9Very low38.9Very low128 Ų128126.5 Ų126.587%0.86576%0.759SS**  trans-73.771.9154.624.50000107V131 G135V131-C133 VanDerWaalsContact C-N 3.32Å; V131-C133 PolarHBondContact O-N 2.88Å; C133-G135 PolarHBondContact O-N 3.11Å
134N36.5Very low37.1Very low136 Ų136127.7 Ų127.773%0.72777%0.765SS**  trans-64.8128.7163.4-77.70.1000107.8L132L132-N134 PolarHBondContact O-N 3.06Å
135G33.8Very low36.4Very low69 Ų69128.5 Ų128.571%0.71176%0.76SS**  trans158.565.4170.700000112C133C133-G135 PolarHBondContact O-N 3.11Å
136D34Very low35.7Very low159 Ų159133 Ų13385%0.8577%0.767SS**  trans-39.6139.4163.8-77.1-65.8000112.1K138D136-K138 PolarHBondContact O-N 2.87Å
137L32.8Very low35.5Very low167 Ų167134.4 Ų134.487%0.87477%0.771SS**  trans-45.8101.8171.5-79.6109.9000110.9
138K33.9Very low35.1Very low193 Ų193137.3 Ų137.384%0.83977%0.774SS**  trans-104.194.9153.9-147.1176-175.2-175.10107.8D136 N140D136-K138 PolarHBondContact O-N 2.87Å; K138-N140 PolarHBondContact O-N 3.36Å
139V32.5Very low34.7Very low121 Ų121136.6 Ų136.673%0.73377%0.772SS**  trans-49106.2161.5173.10000106.9
140N35.4Very low34.7Very low127 Ų127136.1 Ų136.168%0.67977%0.769SS**  trans-124.798.2169-165.627.9000108.4K138 Q142K138-N140 PolarHBondContact O-N 3.36Å; N140-Q142 PolarHBondContact O-N 2.79Å
141N35.9Very low34.8Very low134 Ų134138 Ų13872%0.71777%0.769SS**  trans-66.1107.8160.9-68.9-17.7000107.2
142Q35.2Very low34.7Very low161 Ų161143.3 Ų143.375%0.75278%0.776SS**  trans-178.6104.6149.6-98.5150.553.400111.5N140N140-Q142 PolarHBondContact O-N 2.79Å
143T33.3Very low34.5Very low120 Ų120142.6 Ų142.674%0.73678%0.777SS**  41.7109.3123.7-15.30000118.5
144T33.1Very low34.5Very low108 Ų108144.2 Ų144.266%0.66378%0.777SS**  trans50.7117.9139.262.90000119.2
145N37.6Very low34.8Very low147 Ų147142.7 Ų142.779%0.78678%0.777SS**  173.2114.8113.4-82.2-31.5000113.2
146K33.6Very low34.7Very low191 Ų191148.5 Ų148.583%0.8379%0.785SS**  trans30107.4139.5-71176.8176175.70119.6
147T29.6Very low34.9Very low141 Ų141147.1 Ų147.187%0.86578%0.776SS**  22.2101.4119.2-32.30000118
148Q37.1Very low34.9Very low179 Ų179148.6 Ų148.684%0.83678%0.776SS**  trans-148.176.3152.7-156.9161.21.100110.6S150Q148-S150 PolarHBondContact O-N 3.35Å
149S35.9Very low35Very low106 Ų106148.6 Ų148.674%0.74178%0.776SS**  trans-75.2102.9169-178.30000109I151S149-I151 PolarHBondContact O-N 3.36Å
150S38Very low35.1Very low104 Ų104148.5 Ų148.573%0.72778%0.78SS**  trans-78.599.9173.8-70.10000110Q148 R152Q148-S150 PolarHBondContact O-N 3.35Å; S150-R152 PolarHBondContact O-N 3.43Å
151I38.9Very low35.1Very low147 Ų147147.7 Ų147.775%0.75479%0.785SS**  trans-79.6102.8167.4-61.3173.8000107.5S149 T153S149-I151 PolarHBondContact O-N 3.36Å; I151-T153 PolarHBondContact O-N 3.42Å
152R35.1Very low35.6Very low236 Ų236146.6 Ų146.689%0.89179%0.785SS**  trans-88.5102.3175.2-152.7174.8172.6-164.8-2.6108.4S150 N154S150-R152 PolarHBondContact O-N 3.43Å; R152-N154 PolarHBondContact O-N 3.46Å
153T31.4Very low35.4Very low120 Ų120143.9 Ų143.974%0.73678%0.784SS**  trans-70.3112177.947.30000111.3I151I151-T153 PolarHBondContact O-N 3.42Å
154N31.7Very low35.5Very low163 Ų163143.1 Ų143.187%0.87278%0.784SS**  trans-108104.4162.8-98.64.7000108.2R152R152-N154 PolarHBondContact O-N 3.46Å
155S41.8Very low35.7Very low103 Ų103145 Ų14572%0.7279%0.79SS**  trans-132.398164.265.40000109.3
156H32.4Very low35.6Very low191 Ų191146.8 Ų146.888%0.88480%0.795SS**  trans-102.484.2172.3-143.8-59.2000106.7K158H156-K158 PolarHBondContact O-N 2.87Å
157I37.2Very low36Very low130 Ų130148.1 Ų148.167%0.66780%0.797SS**  trans-84107178.5-62.8175.4000108.3K159I157-K159 HydrophobicContact CG2-CG 4.07Å
158K32.8Very low36.7Very low198 Ų198146.5 Ų146.586%0.86179%0.791SS**  trans-71117.8160.6-82.9179.5174.7-177.40108.5H156H156-K158 PolarHBondContact O-N 2.87Å
159K37.5Very low37.3Very low194 Ų194144.7 Ų144.784%0.84379%0.786SS**  trans-106.3115.2165.7-81.4179.4178.9-179.60109I157I157-K159 HydrophobicContact CG2-CG 4.07Å
160S34.5Very low38Very low118 Ų118145 Ų14583%0.82579%0.785SS**  trans-90.3129.1166.546.70000109.9
161S34.6Very low38.7Very low111 Ų111150.4 Ų150.478%0.77679%0.791SS**  trans-72.6-175.8161.9-32.90000110.6
162P46.8Very low39.9Very low110 Ų110148.1 Ų148.171%0.71478%0.781SS**  cis-139.2166.2-10.332-10.2000116.4
163S30.6Very low41.4Very low105 Ų105141.6 Ų141.673%0.73477%0.769SS**  trans61.3115.2140.662.10000121.7
164S36.5Very low43.3Very low104 Ų104140.2 Ų140.273%0.72776%0.757SS**  -177.8143.599.357.20000112.3
165N36.8Very low45.3Very low148 Ų148136.6 Ų136.679%0.79174%0.74SS**  trans84.875.9161.5-51.4-17.8000117.7
166M35.1Very low46.5Very low184 Ų184138.8 Ų138.891%0.90674%0.739SS**  trans-86.9100.3170.1-176.1137106.800110.6
167Y41.7Very low48.1Very low219 Ų219135.8 Ų135.886%0.85973%0.725SS**  trans-76.2116.9156.5-92.9-92.2000107.7I169Y167-I169 PolarHBondContact O-N 3.21Å; Y167-I169 VanDerWaalsContact O-N 3.14Å
168S45.4Very low49.7Very low107 Ų107136.1 Ų136.175%0.74872%0.722SS**  trans-69.5101.8-178.648.90000110.9
169I49.6Very low51.7Low141 Ų141132 Ų13272%0.72371%0.706SS**  trans-72.8129.3163.9-59.1-63.5000107.8Y167 Y171Y167-I169 PolarHBondContact O-N 3.21Å; Y167-I169 VanDerWaalsContact O-N 3.14Å; I169-Y171 PolarHBondContact O-N 2.91Å; I169-Y171 VanDerWaalsContact O-N 3.11Å
170P50Low53.5Low113 Ų113127.5 Ų127.573%0.73469%0.691SS**  trans-54.8117171.8-25.935.6000110.6D172P170-D172 PolarHBondContact O-N 3.23Å
171Y52Low55.5Low216 Ų216127 Ų12785%0.84768%0.678SS**  trans-72.1111.2177.742.9-85.4000108.5I169 P173I169-Y171 PolarHBondContact O-N 2.91Å; I169-Y171 VanDerWaalsContact O-N 3.11Å; Y171-P173 WeakPolarHBondContact O-CD 3.44Å
172D65.2Low57.5Low100 Ų100129.6 Ų129.654%0.53567%0.672SS.*  trans-100.1105.6172.6-155.1-12.1000107.6P170 L174 T175P170-D172 PolarHBondContact O-N 3.23Å; D172-L174 PolarHBondContact O-N 3.47Å; D172-T175 PolarHBondContact O-N 2.85Å
173P66.2Low58.8Low99 Ų99128.8 Ų128.864%0.64366%0.659SS**Hα-helixtrans-58.6-21.2-175.923.6-33.5000112.5Y171 T175 Q177Y171-P173 WeakPolarHBondContact O-CD 3.44Å; P173-T175 VanDerWaalsContact C-N 3.29Å; P173-T175 PolarHBondContact O-N 2.99Å; P173-Q177 PolarHBondContact O-N 2.89Å
174L69.9Low60.9Low91 Ų91129 Ų12948%0.47665%0.648SS.*Hα-helixtrans-65.6-30.3175.4-163.473000112.8D172 Q177 K178D172-L174 PolarHBondContact O-N 3.47Å; L174-Q177 PolarHBondContact O-N 3.02Å; L174-K178 WeakPolarHBondContact O-CG 3.36Å; L174-K178 PolarHBondContact O-N 3.05Å
175T74.1Confident63.1Low87 Ų87128.3 Ų128.353%0.53464%0.636SS.*Hα-helixtrans-72.9-43.1-177.9-53.90000111.2D172 P173 Q177 K178 Q179D172-T175 PolarHBondContact O-N 2.85Å; P173-T175 VanDerWaalsContact C-N 3.29Å; P173-T175 PolarHBondContact O-N 2.99Å; T175-Q177 VanDerWaalsContact C-N 3.32Å; T175-Q177 PolarHBondContact O-N 2.95Å; T175-K178 PolarHBondContact O-N 2.89Å; T175-Q179 PolarHBondContact O-N 3.39Å
176E67.9Low65.1Low148 Ų148125.3 Ų125.369%0.69262%0.62SS**Hα-helixtrans-59.9-43.5172.6-78.3-103.4125.200110.9K178 Q179 L180E176-K178 PolarHBondContact O-N 2.93Å; E176-Q179 PolarHBondContact O-N 2.85Å; E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 PolarHBondContact O-N 2.91Å
177Q64.7Low66.9Low128 Ų128124 Ų12460%0.59861%0.605SS**Hα-helixtrans-65.2-38.2178.8-166.5-179.7-12.500112.2P173 L174 T175 L180 L181P173-Q177 PolarHBondContact O-N 2.89Å; L174-Q177 PolarHBondContact O-N 3.02Å; T175-Q177 VanDerWaalsContact C-N 3.32Å; T175-Q177 PolarHBondContact O-N 2.95Å; Q177-L180 PolarHBondContact O-N 3.36Å; Q177-L181 WeakPolarHBondContact O-CB 3.32Å; Q177-L181 PolarHBondContact O-N 2.93Å
178K71Confident68.8Low137 Ų137118.6 Ų118.660%0.59659%0.59SS**Hα-helixtrans-65.3-40.3174.1-78.2178.8-179.1178.80112.1L174 T175 E176 L181 Y182L174-K178 WeakPolarHBondContact O-CG 3.36Å; L174-K178 PolarHBondContact O-N 3.05Å; T175-K178 PolarHBondContact O-N 2.89Å; E176-K178 PolarHBondContact O-N 2.93Å; K178-L181 PolarHBondContact O-N 3.29Å; K178-Y182 WeakPolarHBondContact O-CB 3.21Å; K178-Y182 PolarHBondContact O-N 2.87Å
179Q74.8Confident70.5Confident112 Ų112118.4 Ų118.452%0.52358%0.581SS.*Hα-helixtrans-65.4-41.5176.5-173.6177.6-35.800111.2T175 E176 L181 Y182 E183T175-Q179 PolarHBondContact O-N 3.39Å; E176-Q179 PolarHBondContact O-N 2.85Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3.47Å; Q179-Y182 PolarHBondContact O-N 2.72Å; Q179-E183 PolarHBondContact O-N 2.69Å
180L76.1Confident71.5Confident100 Ų100117.5 Ų117.552%0.52457%0.574SS.*Hα-helixtrans-66.3-36.3176.9-163.6135.9000112E176 Q177 E183 Q184E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 PolarHBondContact O-N 2.91Å; Q177-L180 PolarHBondContact O-N 3.36Å; L180-E183 PolarHBondContact O-N 3.46Å; L180-Q184 WeakPolarHBondContact O-CG 3.45Å; L180-Q184 PolarHBondContact O-N 3.14Å
181L75.6Confident72.7Confident107 Ų107116.8 Ų116.856%0.5656%0.563SS**Hα-helixtrans-66.5-41.9173.1-158.4153.1000111.1Q177 K178 Q179 Q184 D185Q177-L181 WeakPolarHBondContact O-CB 3.32Å; Q177-L181 PolarHBondContact O-N 2.93Å; K178-L181 PolarHBondContact O-N 3.29Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3.47Å; L181-Q184 PolarHBondContact O-N 2.86Å; L181-D185 WeakPolarHBondContact O-CB 3.28Å; L181-D185 PolarHBondContact O-N 2.83Å
182Y76.8Confident74.1Confident166 Ų166108.3 Ų108.365%0.65154%0.542SS*.Hα-helixtrans-64.4-39.2175.8-152.3-80.7000112.2K178 Q179 N186K178-Y182 WeakPolarHBondContact O-CB 3.21Å; K178-Y182 PolarHBondContact O-N 2.87Å; Q179-Y182 PolarHBondContact O-N 2.72Å; Y182-N186 PolarHBondContact O-N 3.12Å; Y182-N186 VanDerWaalsContact O-N 3.11Å
183E74.9Confident74.5Confident93 Ų93107.5 Ų107.544%0.43554%0.541SS..Hα-helixtrans-66.8-38.4174-78.2-170.9-16600112.5Q179 L180 R187Q179-E183 PolarHBondContact O-N 2.69Å; L180-E183 PolarHBondContact O-N 3.46Å; E183-R187 WeakPolarHBondContact O-CG 3.19Å; E183-R187 PolarHBondContact O-N 3.07Å; E183-R187 VanDerWaalsContact O-N 3.11Å
184Q75.5Confident74.8Confident110 Ų110106.9 Ų106.951%0.51454%0.535SS..Hα-helixtrans-67.4-40.6175.5-76.9-178.5-7.400112L180 L181 R187 L188L180-Q184 WeakPolarHBondContact O-CG 3.45Å; L180-Q184 PolarHBondContact O-N 3.14Å; L181-Q184 PolarHBondContact O-N 2.86Å; Q184-R187 CarbonylContact O-C 3.48Å; Q184-R187 WeakPolarHBondContact O-CB 3.48Å; Q184-R187 PolarHBondContact O-N 3.15Å; Q184-R187 VanDerWaalsContact O-N 3.1Å; Q184-L188 WeakPolarHBondContact O-CG 3.39Å; Q184-L188 PolarHBondContact O-N 3.37Å
185D82.1Confident74.9Confident89 Ų89107.6 Ų107.648%0.47654%0.538SS..Hα-helixtrans-62.3-45.8177.8-153.547000110.9L181 R187 L188 D189L181-D185 WeakPolarHBondContact O-CB 3.28Å; L181-D185 PolarHBondContact O-N 2.83Å; D185-R187 VanDerWaalsContact C-N 3.27Å; D185-R187 PolarHBondContact O-N 3.46Å; D185-L188 WeakPolarHBondContact O-CA 3.41Å; D185-L188 WeakPolarHBondContact O-CB 3.28Å; D185-L188 PolarHBondContact O-N 3.46Å; D185-D189 PolarHBondContact O-N 3.37Å
186N78.4Confident75Confident84 Ų84107 Ų10745%0.44954%0.538SS..Hα-helixtrans-59.2-34.8172-96.47.3000113.3Y182 Q190Y182-N186 PolarHBondContact O-N 3.12Å; Y182-N186 VanDerWaalsContact O-N 3.11Å; N186-Q190 WeakPolarHBondContact O-CG 3.46Å; N186-Q190 PolarHBondContact O-N 3.25Å
187R72.1Confident75.2Confident157 Ų157103.6 Ų103.659%0.59252%0.524SS*.Hα-helixtrans-72.1-35.4174.3-72.6-176-155.8-99.63.6111.8E183 Q184 D185 Q190 L191E183-R187 WeakPolarHBondContact O-CG 3.19Å; E183-R187 PolarHBondContact O-N 3.07Å; E183-R187 VanDerWaalsContact O-N 3.11Å; Q184-R187 CarbonylContact O-C 3.48Å; Q184-R187 WeakPolarHBondContact O-CB 3.48Å; Q184-R187 PolarHBondContact O-N 3.15Å; Q184-R187 VanDerWaalsContact O-N 3.1Å; D185-R187 VanDerWaalsContact C-N 3.27Å; D185-R187 PolarHBondContact O-N 3.46Å; R187-Q190 PolarHBondContact O-N 3.33Å; R187-L191 WeakPolarHBondContact O-CG 3.25Å; R187-L191 PolarHBondContact O-N 3.15Å
188L82.7Confident75.7Confident105 Ų105102.7 Ų102.755%0.5552%0.523SS..Hα-helixtrans-67-38.2175.4-75.3175.1000111.4Q184 D185 L191 G192Q184-L188 WeakPolarHBondContact O-CG 3.39Å; Q184-L188 PolarHBondContact O-N 3.37Å; D185-L188 WeakPolarHBondContact O-CA 3.41Å; D185-L188 WeakPolarHBondContact O-CB 3.28Å; D185-L188 PolarHBondContact O-N 3.46Å; L188-L191 HydrophobicContact CD2-CD1 4.33Å; L188-L191 CarbonylContact O-C 3.55Å; L188-L191 WeakPolarHBondContact O-CB 3.42Å; L188-L191 PolarHBondContact O-N 2.96Å; L188-G192 PolarHBondContact O-N 3.18Å
189D80.5Confident76Confident103 Ų103102.2 Ų102.255%0.55152%0.521SS*.Hα-helixtrans-63.5-43.3173.6-85.5-11.4000111.9D185 L191 G192 T193D185-D189 PolarHBondContact O-N 3.37Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 3.29Å; D189-G192 CarbonylContact O-C 3.54Å; D189-G192 WeakPolarHBondContact O-CA 3.01Å; D189-G192 PolarHBondContact O-N 3.49Å; D189-T193 WeakPolarHBondContact O-CG2 3.36Å; D189-T193 PolarHBondContact O-N 2.93Å
190Q70.6Confident75.9Confident123 Ų12397.9 Ų97.958%0.57551%0.506SS*.Hα-helixtrans-63.3-37.6174.3-71.217320.400112.3N186 R187 G192 T193 T194N186-Q190 WeakPolarHBondContact O-CG 3.46Å; N186-Q190 PolarHBondContact O-N 3.25Å; R187-Q190 PolarHBondContact O-N 3.33Å; Q190-G192 VanDerWaalsContact C-N 3.32Å; Q190-T193 WeakPolarHBondContact CA-OG1 2.92Å; Q190-T193 PolarHBondContact O-OG1 2.88Å; Q190-T194 VanDerWaalsContact O-CB 3.31Å; Q190-T194 WeakPolarHBondContact O-CB 3.44Å; Q190-T194 PolarHBondContact O-N 3.11Å; Q190-T194 PolarHBondContact O-OG1 2.68Å
191L75.7Confident75.5Confident97 Ų9797.5 Ų97.551%0.50850%0.503SS..Hα-helixtrans-65.6-39.7171.5-75.5171.2000110.4R187 L188 D189 T194 I195R187-L191 WeakPolarHBondContact O-CG 3.25Å; R187-L191 PolarHBondContact O-N 3.15Å; L188-L191 HydrophobicContact CD2-CD1 4.33Å; L188-L191 CarbonylContact O-C 3.55Å; L188-L191 WeakPolarHBondContact O-CB 3.42Å; L188-L191 PolarHBondContact O-N 2.96Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 3.29Å; L191-T194 PolarHBondContact O-N 3.15Å; L191-I195 HydrophobicContact CB-CD1 4.48Å; L191-I195 VanDerWaalsContact O-CB 3.24Å; L191-I195 WeakPolarHBondContact O-CB 3.29Å; L191-I195 WeakPolarHBondContact O-CD1 3.49Å; L191-I195 WeakPolarHBondContact O-CG1 3.34Å; L191-I195 PolarHBondContact O-N 2.97Å
192G80.5Confident75.4Confident39 Ų3996 Ų9640%0.40250%0.501SS..Hα-helixtrans-59.3-47.4175.100000112.2L188 D189 Q190 I195 S196L188-G192 PolarHBondContact O-N 3.18Å; D189-G192 CarbonylContact O-C 3.54Å; D189-G192 WeakPolarHBondContact O-CA 3.01Å; D189-G192 PolarHBondContact O-N 3.49Å; Q190-G192 VanDerWaalsContact C-N 3.32Å; G192-I195 PolarHBondContact O-N 3.39Å; G192-S196 WeakPolarHBondContact O-CB 3.28Å; G192-S196 PolarHBondContact O-N 2.9Å
193T74Confident75.3Confident82 Ų8293.7 Ų93.750%0.50350%0.496SS..Hα-helixtrans-65.3-42.5175.1600000111.2D189 Q190 I195 S196 N197D189-T193 WeakPolarHBondContact O-CG2 3.36Å; D189-T193 PolarHBondContact O-N 2.93Å; Q190-T193 WeakPolarHBondContact CA-OG1 2.92Å; Q190-T193 PolarHBondContact O-OG1 2.88Å; T193-I195 VanDerWaalsContact C-N 3.34Å; T193-I195 PolarHBondContact O-N 2.83Å; T193-S196 WeakPolarHBondContact O-CB 3.39Å; T193-S196 PolarHBondContact O-N 3.48Å; T193-N197 PolarHBondContact O-N 3.27Å; T193-N197 PolarHBondContact O-OD1 3.46Å
194T71.9Confident75Confident86 Ų8692.4 Ų92.453%0.52849%0.488SS..Hα-helixtrans-64.5-39177.5-54.80000111.7Q190 L191 N197 L198Q190-T194 VanDerWaalsContact O-CB 3.31Å; Q190-T194 WeakPolarHBondContact O-CB 3.44Å; Q190-T194 PolarHBondContact O-N 3.11Å; Q190-T194 PolarHBondContact O-OG1 2.68Å; L191-T194 PolarHBondContact O-N 3.15Å; T194-N197 PolarHBondContact O-N 3.34Å; T194-L198 WeakPolarHBondContact O-CB 3.38Å; T194-L198 PolarHBondContact O-N 3.47Å
195I73.5Confident74.6Confident107 Ų10791 Ų9155%0.54948%0.483SS..Hα-helixtrans-68.2-38.4175.4-71.2163.3000110.2L191 G192 T193 L198 K199L191-I195 HydrophobicContact CB-CD1 4.48Å; L191-I195 VanDerWaalsContact O-CB 3.24Å; L191-I195 WeakPolarHBondContact O-CB 3.29Å; L191-I195 WeakPolarHBondContact O-CD1 3.49Å; L191-I195 WeakPolarHBondContact O-CG1 3.34Å; L191-I195 PolarHBondContact O-N 2.97Å; G192-I195 PolarHBondContact O-N 3.39Å; T193-I195 VanDerWaalsContact C-N 3.34Å; T193-I195 PolarHBondContact O-N 2.83Å; I195-L198 PolarHBondContact O-N 3.32Å; I195-K199 WeakPolarHBondContact O-CB 3.35Å; I195-K199 PolarHBondContact O-N 3.16Å
196S76.3Confident74.5Confident74 Ų7488.6 Ų88.652%0.51748%0.479SS..Hα-helixtrans-62.6-46.3174-173.90000111.1G192 T193 K199 G200G192-S196 WeakPolarHBondContact O-CB 3.28Å; G192-S196 PolarHBondContact O-N 2.9Å; T193-S196 WeakPolarHBondContact O-CB 3.39Å; T193-S196 PolarHBondContact O-N 3.48Å; S196-K199 PolarHBondContact O-N 3.3Å; S196-G200 PolarHBondContact O-N 3.2Å
197N72.4Confident74.3Confident77 Ų7789.9 Ų89.941%0.41249%0.486SS..Hα-helixtrans-65.7-41.6177.4-69.418.5000110.8E59 T193 T194 G200 M201E59-N197 PolarHBondContact OE2-ND2 3.16Å; E59-N197 VanDerWaalsContact OE2-ND2 3.12Å; T193-N197 PolarHBondContact O-N 3.27Å; T193-N197 PolarHBondContact O-OD1 3.46Å; T194-N197 PolarHBondContact O-N 3.34Å; N197-G200 PolarHBondContact O-N 3.46Å; N197-M201 WeakPolarHBondContact O-CB 3.27Å; N197-M201 PolarHBondContact O-N 3.42Å
198L73.8Confident74.1Confident108 Ų10884 Ų8457%0.56547%0.465SS*.Hα-helixtrans-65.3-38174.8-176.566.8000112.1T194 I195 M201 S202T194-L198 WeakPolarHBondContact O-CB 3.38Å; T194-L198 PolarHBondContact O-N 3.47Å; I195-L198 PolarHBondContact O-N 3.32Å; L198-M201 CarbonylContact O-C 3.58Å; L198-M201 WeakPolarHBondContact O-CB 3.44Å; L198-M201 PolarHBondContact O-N 3.04Å; L198-S202 WeakPolarHBondContact O-CB 3.43Å; L198-S202 PolarHBondContact O-N 3.48Å
199K78.5Confident73.8Confident128 Ų12883.8 Ų83.856%0.55746%0.464SS*.Hα-helixtrans-66.1-43.7174.8-178.8-177.5177.2-171.80110.5I195 S196 M201 S202 Q203I195-K199 WeakPolarHBondContact O-CB 3.35Å; I195-K199 PolarHBondContact O-N 3.16Å; S196-K199 PolarHBondContact O-N 3.3Å; K199-M201 VanDerWaalsContact C-N 3.29Å; K199-M201 PolarHBondContact O-N 3.49Å; K199-S202 PolarHBondContact O-N 3.17Å; K199-Q203 WeakPolarHBondContact O-CG 3.3Å; K199-Q203 PolarHBondContact O-N 3.19Å
200G71.5Confident73.5Confident20 Ų2080.6 Ų80.621%0.20646%0.455CS..Hα-helixtrans-57.9-44.7171.400000111.1S196 N197 Q203 R204S196-G200 PolarHBondContact O-N 3.2Å; N197-G200 PolarHBondContact O-N 3.46Å; G200-Q203 PolarHBondContact O-N 3.49Å; G200-R204 VanDerWaalsContact O-CD 3.24Å; G200-R204 WeakPolarHBondContact O-CD 3.5Å; G200-R204 WeakPolarHBondContact O-CG 3.37Å; G200-R204 PolarHBondContact O-N 2.97Å; G200-R204 VanDerWaalsContact O-N 3.09Å
201M68.9Low73.6Confident93 Ų9378.6 Ų78.646%0.45845%0.449SS..Hα-helixtrans-63-43176-168.9-176.9-173.400112W52 N197 L198 K199 R204 I205W52-M201 HydrophobicContact CH2-CB 4.22Å; W52-M201 HydrophobicContact CH2-CG 3.78Å; W52-M201 HydrophobicContact CZ3-CB 4.27Å; W52-M201 HydrophobicContact CZ3-CG 4.02Å; N197-M201 WeakPolarHBondContact O-CB 3.27Å; N197-M201 PolarHBondContact O-N 3.42Å; L198-M201 CarbonylContact O-C 3.58Å; L198-M201 WeakPolarHBondContact O-CB 3.44Å; L198-M201 PolarHBondContact O-N 3.04Å; K199-M201 VanDerWaalsContact C-N 3.29Å; K199-M201 PolarHBondContact O-N 3.49Å; M201-R204 PolarHBondContact O-N 2.96Å; M201-I205 HydrophobicContact CE-CD1 4.29Å; M201-I205 HydrophobicContact CG-CD1 3.95Å; M201-I205 VanDerWaalsContact O-CG1 3.25Å; M201-I205 WeakPolarHBondContact O-CG1 3.27Å; M201-I205 PolarHBondContact O-N 3.19Å
202S72.4Confident73.1Confident76 Ų7677.8 Ų77.853%0.53144%0.442SS..Hα-helixtrans-64.9-41.7178.21760000112.3L198 K199 R204 I205 G206L198-S202 WeakPolarHBondContact O-CB 3.43Å; L198-S202 PolarHBondContact O-N 3.48Å; K199-S202 PolarHBondContact O-N 3.17Å; S202-R204 VanDerWaalsContact C-N 3.32Å; S202-I205 PolarHBondContact O-N 3.49Å; S202-G206 PolarHBondContact O-N 3.46Å
203Q75.5Confident72.8Confident117 Ų11780.6 Ų80.655%0.54745%0.451SS..Hα-helixtrans-63.1-43.3176.6-76.7179.7-33.300110.3K199 G200 G206 D207K199-Q203 WeakPolarHBondContact O-CG 3.3Å; K199-Q203 PolarHBondContact O-N 3.19Å; G200-Q203 PolarHBondContact O-N 3.49Å; Q203-G206 CarbonylContact O-C 3.55Å; Q203-G206 WeakPolarHBondContact O-CA 3.4Å; Q203-G206 PolarHBondContact O-N 3.39Å; Q203-G206 VanDerWaalsContact O-N 3.14Å; Q203-D207 VanDerWaalsContact O-CG 3.31Å; Q203-D207 PolarHBondContact O-N 3.45Å
204R67.4Low72.6Confident66 Ų6681 Ų8125%0.24945%0.454CS..Hα-helixtrans-68.8-37177.8-64.6161179.9-105.6-28.8113.6W52 M55 G200 M201 S202 G206 D207 E208W52-R204 HydrophobicContact CH2-CB 3.32Å; W52-R204 HydrophobicContact CH2-CG 3.85Å; W52-R204 HydrophobicContact CZ2-CB 3.19Å; W52-R204 VanDerWaalsContact CZ2-CD 3.47Å; W52-R204 HydrophobicContact CZ2-CG 3.92Å; W52-R204 HydrophobicContact CZ3-CB 4.28Å; W52-R204 HydrophobicContact CZ3-CG 4.35Å; M55-R204 PolarHBondContact SD-NH2 3.06Å; G200-R204 VanDerWaalsContact O-CD 3.24Å; G200-R204 WeakPolarHBondContact O-CD 3.5Å; G200-R204 WeakPolarHBondContact O-CG 3.37Å; G200-R204 PolarHBondContact O-N 2.97Å; G200-R204 VanDerWaalsContact O-N 3.09Å; M201-R204 PolarHBondContact O-N 2.96Å; S202-R204 VanDerWaalsContact C-N 3.32Å; R204-G206 VanDerWaalsContact C-N 3.26Å; R204-D207 PolarHBondContact O-N 3.43Å; R204-E208 VanDerWaalsContact O-CB 3.29Å; R204-E208 WeakPolarHBondContact O-CB 3.45Å; R204-E208 PolarHBondContact O-N 3.39Å
205I68.7Low72.5Confident80 Ų8078.5 Ų78.541%0.4144%0.437SS..Hα-helixtrans-63.6-38.4171.1-68.9164.8000109.6M201 S202 E208 L209M201-I205 HydrophobicContact CE-CD1 4.29Å; M201-I205 HydrophobicContact CG-CD1 3.95Å; M201-I205 VanDerWaalsContact O-CG1 3.25Å; M201-I205 WeakPolarHBondContact O-CG1 3.27Å; M201-I205 PolarHBondContact O-N 3.19Å; S202-I205 PolarHBondContact O-N 3.49Å; I205-E208 PolarHBondContact O-N 2.97Å; I205-L209 HydrophobicContact CG2-CD1 4.17Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.4Å; I205-L209 PolarHBondContact O-N 3Å
206G78.9Confident72.7Confident39 Ų3978.7 Ų78.740%0.40244%0.438SS..Hα-helixtrans-60.8-48.5173.200000112.4S202 Q203 R204 E208 L209 G210S202-G206 PolarHBondContact O-N 3.46Å; Q203-G206 CarbonylContact O-C 3.55Å; Q203-G206 WeakPolarHBondContact O-CA 3.4Å; Q203-G206 PolarHBondContact O-N 3.39Å; Q203-G206 VanDerWaalsContact O-N 3.14Å; R204-G206 VanDerWaalsContact C-N 3.26Å; G206-E208 VanDerWaalsContact C-N 3.32Å; G206-E208 PolarHBondContact O-N 3.38Å; G206-L209 PolarHBondContact O-N 3.47Å; G206-G210 PolarHBondContact O-N 2.92Å
207D74.6Confident72.7Confident110 Ų11079.5 Ų79.559%0.58844%0.437SS*.Hα-helixtrans-64.9-35.4176.9-63.4-18.1000111.5Q203 R204 G210 D211Q203-D207 VanDerWaalsContact O-CG 3.31Å; Q203-D207 PolarHBondContact O-N 3.45Å; R204-D207 PolarHBondContact O-N 3.43Å; D207-G210 PolarHBondContact O-N 2.81Å; D207-D211 PolarHBondContact O-N 2.77Å
208E68Low72.8Confident35 Ų3578.4 Ų78.416%0.16443%0.431CS..Hα-helixtrans-64.1-46.4175-178.958.2-140.500112Q45 K48 R204 I205 G206 G210 D211 Q212Q45-E208 PolarHBondContact OE1-OE1 3.22Å; K48-E208 WeakPolarHBondContact CD-OE2 3.17Å; K48-E208 WeakPolarHBondContact CE-OE2 3.17Å; K48-E208 IonicContact NZ-OE1 3.98Å; K48-E208 IonicContact NZ-OE2 2.61Å; K48-E208 PolarHBondContact NZ-OE2 2.83Å; R204-E208 VanDerWaalsContact O-CB 3.29Å; R204-E208 WeakPolarHBondContact O-CB 3.45Å; R204-E208 PolarHBondContact O-N 3.39Å; I205-E208 PolarHBondContact O-N 2.97Å; G206-E208 VanDerWaalsContact C-N 3.32Å; G206-E208 PolarHBondContact O-N 3.38Å; E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 3.14Å; E208-D211 PolarHBondContact O-N 2.82Å; E208-Q212 WeakPolarHBondContact O-CB 3.42Å; E208-Q212 VanDerWaalsContact O-CG 3.27Å; E208-Q212 WeakPolarHBondContact O-CG 3.35Å; E208-Q212 PolarHBondContact O-N 3.11Å; E208-Q212 PolarHBondContact OE1-NE2 3.32Å
209L75.9Confident72.8Confident99 Ų9978.9 Ų78.952%0.51843%0.429SS..Hα-helixtrans-64.2-37.7174.4-70172000110.9I205 G206 Q212 V213I205-L209 HydrophobicContact CG2-CD1 4.17Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.4Å; I205-L209 PolarHBondContact O-N 3Å; G206-L209 PolarHBondContact O-N 3.47Å; L209-Q212 PolarHBondContact O-N 3.31Å; L209-V213 VanDerWaalsContact O-CG2 3.27Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.08Å
210G75.6Confident72.8Confident36 Ų3676 Ų7637%0.37142%0.42SS..Hα-helixtrans-61.4-49.9174.900000112.7G206 D207 E208 Q212 V213 V214G206-G210 PolarHBondContact O-N 2.92Å; D207-G210 PolarHBondContact O-N 2.81Å; E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 3.14Å; G210-Q212 VanDerWaalsContact C-N 3.33Å; G210-Q212 PolarHBondContact O-N 2.63Å; G210-V213 WeakPolarHBondContact O-CB 3.36Å; G210-V213 PolarHBondContact O-N 3.38Å; G210-V214 PolarHBondContact O-N 3.39Å; G210-V214 VanDerWaalsContact O-N 3.17Å
211D70.9Confident73.2Confident81 Ų8178.9 Ų78.943%0.43343%0.43SS..Hα-helixtrans-63.6-38.5176.2-79.3-6.5000111.8K48 D207 E208 V213 V214 L215K48-D211 WeakPolarHBondContact CE-OD2 3.45Å; K48-D211 VanDerWaalsContact NZ-CB 3.32Å; K48-D211 IonicContact NZ-OD2 3.48Å; K48-D211 PolarHBondContact NZ-OD2 3.3Å; D207-D211 PolarHBondContact O-N 2.77Å; E208-D211 PolarHBondContact O-N 2.82Å; D211-V213 VanDerWaalsContact C-N 3.31Å; D211-V213 PolarHBondContact O-N 2.91Å; D211-V214 PolarHBondContact O-N 3.4Å; D211-L215 WeakPolarHBondContact O-CB 3.4Å; D211-L215 PolarHBondContact O-N 2.89Å
212Q65.6Low73.5Confident81 Ų8177.7 Ų77.738%0.37942%0.423SS..Hα-helixtrans-64.7-34.2175.2-75.7178.819.700112.1E208 L209 G210 L215 L216E208-Q212 WeakPolarHBondContact O-CB 3.42Å; E208-Q212 VanDerWaalsContact O-CG 3.27Å; E208-Q212 WeakPolarHBondContact O-CG 3.35Å; E208-Q212 PolarHBondContact O-N 3.11Å; E208-Q212 PolarHBondContact OE1-NE2 3.32Å; L209-Q212 PolarHBondContact O-N 3.31Å; G210-Q212 VanDerWaalsContact C-N 3.33Å; G210-Q212 PolarHBondContact O-N 2.63Å; Q212-L215 PolarHBondContact O-N 3.11Å; Q212-L216 VanDerWaalsContact O-CB 3.32Å; Q212-L216 WeakPolarHBondContact O-CB 3.21Å; Q212-L216 WeakPolarHBondContact O-CD1 2.91Å; Q212-L216 PolarHBondContact O-N 2.82Å
213V74.3Confident73.8Confident98 Ų9878.4 Ų78.459%0.59442%0.419SS*.Hα-helixtrans-66.5-43.8175.31670000111.4L209 G210 D211 L215 L216 D217L209-V213 VanDerWaalsContact O-CG2 3.27Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.08Å; G210-V213 WeakPolarHBondContact O-CB 3.36Å; G210-V213 PolarHBondContact O-N 3.38Å; D211-V213 VanDerWaalsContact C-N 3.31Å; D211-V213 PolarHBondContact O-N 2.91Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.38Å; V213-L216 PolarHBondContact O-N 3.22Å; V213-D217 PolarHBondContact O-N 3.06Å
214V70Confident74.1Confident91 Ų9176.8 Ų76.855%0.55241%0.414SS*.Hα-helixtrans-61.9-42.1174.81760000110.4G210 D211 L216 D217 D218G210-V214 PolarHBondContact O-N 3.39Å; G210-V214 VanDerWaalsContact O-N 3.17Å; D211-V214 PolarHBondContact O-N 3.4Å; V214-L216 PolarHBondContact O-N 2.77Å; V214-D217 WeakPolarHBondContact O-CB 3.25Å; V214-D217 PolarHBondContact O-N 3.39Å; V214-D218 PolarHBondContact O-N 2.85Å
215L70.2Confident74.8Confident33 Ų3375.8 Ų75.817%0.17342%0.417CS..Hα-helixtrans-67.4-35.4178-162.997.8000113.3Q37 T41 D211 Q212 V213 D217 D218 F219Q37-L215 HydrophobicContact CG-CD1 4.17Å; Q37-L215 HydrophobicContact CG-CG 4.39Å; T41-L215 HydrophobicContact CG2-CD1 4.35Å; T41-L215 HydrophobicContact CG2-CD2 3.45Å; T41-L215 VanDerWaalsContact CG2-CD2 3.45Å; T41-L215 WeakPolarHBondContact OG1-CD1 3.39Å; T41-L215 WeakPolarHBondContact OG1-CD2 3.48Å; D211-L215 WeakPolarHBondContact O-CB 3.4Å; D211-L215 PolarHBondContact O-N 2.89Å; Q212-L215 PolarHBondContact O-N 3.11Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.38Å; L215-D217 VanDerWaalsContact C-N 3.29Å; L215-D218 PolarHBondContact O-N 2.88Å; L215-F219 WeakPolarHBondContact O-CB 3.44Å; L215-F219 PolarHBondContact O-N 3.26Å
216L77.5Confident75.4Confident111 Ų11175 Ų7558%0.58142%0.416SS*.Hα-helixtrans-64.1-35.6172.8-94.6148.5000111.2Q212 V213 V214 N220Q212-L216 VanDerWaalsContact O-CB 3.32Å; Q212-L216 WeakPolarHBondContact O-CB 3.21Å; Q212-L216 WeakPolarHBondContact O-CD1 2.91Å; Q212-L216 PolarHBondContact O-N 2.82Å; V213-L216 PolarHBondContact O-N 3.22Å; V214-L216 PolarHBondContact O-N 2.77Å; L216-N220 WeakPolarHBondContact O-CB 3.32Å; L216-N220 PolarHBondContact O-N 3.5Å
217D76.8Confident75.6Confident91 Ų9178.3 Ų78.349%0.48742%0.421SS..Hα-helixtrans-68.5-42174.5-161.749.5000111.5V213 V214 L215 F219 N220 N221V213-D217 PolarHBondContact O-N 3.06Å; V214-D217 WeakPolarHBondContact O-CB 3.25Å; V214-D217 PolarHBondContact O-N 3.39Å; L215-D217 VanDerWaalsContact C-N 3.29Å; D217-F219 PolarHBondContact O-N 2.85Å; D217-N220 CarbonylContact O-C 3.58Å; D217-N220 WeakPolarHBondContact O-CB 3.4Å; D217-N220 PolarHBondContact O-N 3.31Å; D217-N221 WeakPolarHBondContact O-CB 3.5Å; D217-N221 PolarHBondContact O-N 2.82Å; D217-N221 PolarHBondContact O-ND2 3.39Å; D217-N221 VanDerWaalsContact O-ND2 3.11Å
218D74.7Confident76.2Confident53 Ų5376.3 Ų76.328%0.28342%0.416SS..Hα-helixtrans-62.1-43.9172.9-72.4-16.8000112.2Q37 V214 L215 N220 N221 E222Q37-D218 HydrophobicContact CG-CB 4.33Å; Q37-D218 PolarHBondContact NE2-OD2 3.34Å; V214-D218 PolarHBondContact O-N 2.85Å; L215-D218 PolarHBondContact O-N 2.88Å; D218-N220 VanDerWaalsContact C-N 3.31Å; D218-N220 PolarHBondContact O-N 3.2Å; D218-N221 WeakPolarHBondContact O-CB 3.26Å; D218-N221 PolarHBondContact O-N 3.48Å; D218-E222 PolarHBondContact O-N 2.87Å
219F73.6Confident76.9Confident118 Ų11882.8 Ų82.852%0.51844%0.438SS..Hα-helixtrans-63.2-39.6175178.8-106.8000111.4L215 D217 N221 E222 M223L215-F219 WeakPolarHBondContact O-CB 3.44Å; L215-F219 PolarHBondContact O-N 3.26Å; D217-F219 PolarHBondContact O-N 2.85Å; F219-N221 VanDerWaalsContact C-N 3.34Å; F219-E222 PolarHBondContact O-N 3.23Å; F219-M223 HydrophobicContact CD1-CE 3.86Å; F219-M223 HydrophobicContact CE1-CE 3.21Å; F219-M223 HydrophobicContact CZ-CE 3.84Å; F219-M223 VanDerWaalsContact O-CB 3.26Å; F219-M223 WeakPolarHBondContact O-CB 3.11Å; F219-M223 PolarHBondContact O-N 3.41Å
220N78.8Confident77.4Confident69 Ų6982.7 Ų82.737%0.36944%0.438SS..Hα-helixtrans-61.8-42.9173.1176.670.3000111L216 D217 D218 M223 I224L216-N220 WeakPolarHBondContact O-CB 3.32Å; L216-N220 PolarHBondContact O-N 3.5Å; D217-N220 CarbonylContact O-C 3.58Å; D217-N220 WeakPolarHBondContact O-CB 3.4Å; D217-N220 PolarHBondContact O-N 3.31Å; D218-N220 VanDerWaalsContact C-N 3.31Å; D218-N220 PolarHBondContact O-N 3.2Å; N220-M223 WeakPolarHBondContact O-CB 3.48Å; N220-M223 PolarHBondContact O-N 3.31Å; N220-I224 WeakPolarHBondContact O-CB 3.49Å; N220-I224 VanDerWaalsContact O-CG1 3.22Å; N220-I224 WeakPolarHBondContact O-CG1 3.4Å; N220-I224 PolarHBondContact O-N 2.97Å
221N79.6Confident78Confident79 Ų7985.4 Ų85.442%0.42244%0.444SS..Hα-helixtrans-64.3-41.5176.4-70.1-35.3000112.1D217 D218 F219 I224 S225D217-N221 WeakPolarHBondContact O-CB 3.5Å; D217-N221 PolarHBondContact O-N 2.82Å; D217-N221 PolarHBondContact O-ND2 3.39Å; D217-N221 VanDerWaalsContact O-ND2 3.11Å; D218-N221 WeakPolarHBondContact O-CB 3.26Å; D218-N221 PolarHBondContact O-N 3.48Å; F219-N221 VanDerWaalsContact C-N 3.34Å; N221-I224 PolarHBondContact O-N 2.98Å; N221-S225 PolarHBondContact O-N 2.85Å
222E74.3Confident78.7Confident68 Ų6884 Ų8432%0.31844%0.44SS..Hα-helixtrans-69.1-37.1175.3-176.4151.1-153.300112.2G35 D218 F219 S225 T226G35-E222 WeakPolarHBondContact CA-OE1 3.46Å; D218-E222 PolarHBondContact O-N 2.87Å; F219-E222 PolarHBondContact O-N 3.23Å; E222-S225 PolarHBondContact O-N 2.87Å; E222-S225 PolarHBondContact O-OG 3.41Å; E222-T226 WeakPolarHBondContact O-CB 3.46Å; E222-T226 PolarHBondContact O-N 3.39Å; E222-T226 PolarHBondContact O-OG1 2.72Å
223M78.6Confident79.6Confident91 Ų9184.4 Ų84.445%0.44844%0.444SS..Hα-helixtrans-61-46172-173.8-172.4-50.700110.9F219 N220 S225 T226 E227F219-M223 HydrophobicContact CD1-CE 3.86Å; F219-M223 HydrophobicContact CE1-CE 3.21Å; F219-M223 HydrophobicContact CZ-CE 3.84Å; F219-M223 VanDerWaalsContact O-CB 3.26Å; F219-M223 WeakPolarHBondContact O-CB 3.11Å; F219-M223 PolarHBondContact O-N 3.41Å; N220-M223 WeakPolarHBondContact O-CB 3.48Å; N220-M223 PolarHBondContact O-N 3.31Å; M223-S225 VanDerWaalsContact C-N 3.29Å; M223-S225 PolarHBondContact O-N 3.41Å; M223-T226 CarbonylContact O-C 3.58Å; M223-T226 WeakPolarHBondContact O-CA 3.22Å; M223-T226 WeakPolarHBondContact O-CB 3.44Å; M223-T226 PolarHBondContact O-N 2.81Å; M223-T226 VanDerWaalsContact O-N 3.09Å; M223-E227 WeakPolarHBondContact O-CB 3.33Å; M223-E227 PolarHBondContact O-N 2.85Å
224I82.7Confident80.1Confident83 Ų8383 Ų8343%0.42644%0.436SS..Hα-helixtrans-60-41175.1-70.6163.8000110.5N220 N221 T226 E227 S228N220-I224 WeakPolarHBondContact O-CB 3.49Å; N220-I224 VanDerWaalsContact O-CG1 3.22Å; N220-I224 WeakPolarHBondContact O-CG1 3.4Å; N220-I224 PolarHBondContact O-N 2.97Å; N221-I224 PolarHBondContact O-N 2.98Å; I224-T226 VanDerWaalsContact C-N 3.32Å; I224-T226 PolarHBondContact O-N 2.95Å; I224-E227 PolarHBondContact O-N 2.74Å; I224-S228 WeakPolarHBondContact O-CB 3.49Å; I224-S228 PolarHBondContact O-N 3.09Å
225S81Confident80.9Confident45 Ų4584.5 Ų84.532%0.31544%0.435SS..Hα-helixtrans-64.6-39175.888.60000111.7N221 E222 M223 S228 R229N221-S225 PolarHBondContact O-N 2.85Å; E222-S225 PolarHBondContact O-N 2.87Å; E222-S225 PolarHBondContact O-OG 3.41Å; M223-S225 VanDerWaalsContact C-N 3.29Å; M223-S225 PolarHBondContact O-N 3.41Å; S225-S228 PolarHBondContact O-N 3.32Å; S225-S228 PolarHBondContact O-OG 3.23Å; S225-R229 WeakPolarHBondContact O-CG 3.37Å; S225-R229 PolarHBondContact O-N 2.99Å
226T81.9Confident81.4Confident63 Ų6391.2 Ų91.239%0.38746%0.458SS..Hα-helixtrans-71-39.3178-59.60000111.1E222 M223 I224 R229 L230E222-T226 WeakPolarHBondContact O-CB 3.46Å; E222-T226 PolarHBondContact O-N 3.39Å; E222-T226 PolarHBondContact O-OG1 2.72Å; M223-T226 CarbonylContact O-C 3.58Å; M223-T226 WeakPolarHBondContact O-CA 3.22Å; M223-T226 WeakPolarHBondContact O-CB 3.44Å; M223-T226 PolarHBondContact O-N 2.81Å; M223-T226 VanDerWaalsContact O-N 3.09Å; I224-T226 VanDerWaalsContact C-N 3.32Å; I224-T226 PolarHBondContact O-N 2.95Å; T226-R229 WeakPolarHBondContact O-CB 3.35Å; T226-R229 PolarHBondContact O-N 2.7Å; T226-L230 HydrophobicContact CG2-CD1 4.3Å; T226-L230 HydrophobicContact CG2-CG 4.42Å; T226-L230 WeakPolarHBondContact O-CB 3.5Å; T226-L230 WeakPolarHBondContact O-CG 3.5Å; T226-L230 PolarHBondContact O-N 3.46Å
227E82.6Confident81.4Confident110 Ų11089.7 Ų89.751%0.51445%0.453SS..Hα-helixtrans-60.7-46172-176.6175.5-169.800109.9M223 I224 R229 L230 D231M223-E227 WeakPolarHBondContact O-CB 3.33Å; M223-E227 PolarHBondContact O-N 2.85Å; I224-E227 PolarHBondContact O-N 2.74Å; E227-R229 VanDerWaalsContact C-N 3.29Å; E227-R229 PolarHBondContact O-N 2.75Å; E227-L230 CarbonylContact O-C 3.57Å; E227-L230 PolarHBondContact O-N 2.93Å; E227-D231 WeakPolarHBondContact O-CB 3.26Å; E227-D231 PolarHBondContact O-N 3.09Å
228S87.7Confident81.5Confident68 Ų6887.9 Ų87.948%0.47645%0.451SS..Hα-helixtrans-62.4-35.8176.280.60000112.8I224 S225 S232I224-S228 WeakPolarHBondContact O-CB 3.49Å; I224-S228 PolarHBondContact O-N 3.09Å; S225-S228 PolarHBondContact O-N 3.32Å; S225-S228 PolarHBondContact O-OG 3.23Å; S228-S232 WeakPolarHBondContact O-CB 3.47Å; S228-S232 PolarHBondContact O-N 2.68Å
229R82.7Confident81.4Confident171 Ų17192.1 Ų92.165%0.64546%0.463SS*.Hα-helixtrans-70.6-45.8175-76.8174.7166.5-172.6-1110.9S225 T226 E227 D231 S232 I233S225-R229 WeakPolarHBondContact O-CG 3.37Å; S225-R229 PolarHBondContact O-N 2.99Å; T226-R229 WeakPolarHBondContact O-CB 3.35Å; T226-R229 PolarHBondContact O-N 2.7Å; E227-R229 VanDerWaalsContact C-N 3.29Å; E227-R229 PolarHBondContact O-N 2.75Å; R229-D231 VanDerWaalsContact C-N 3.3Å; R229-D231 PolarHBondContact O-N 3.45Å; R229-S232 WeakPolarHBondContact O-CB 3.45Å; R229-S232 PolarHBondContact O-N 3.03Å; R229-S232 VanDerWaalsContact O-N 3.17Å; R229-S232 PolarHBondContact O-OG 2.66Å; R229-I233 VanDerWaalsContact O-CG1 3.3Å; R229-I233 WeakPolarHBondContact O-CG1 3.48Å; R229-I233 PolarHBondContact O-N 3.1Å
230L86.1Confident81.2Confident96 Ų9692.5 Ų92.550%0.50347%0.47SS..Hα-helixtrans-59.1-44.1173.7-76.5176.8000109.9T226 E227 S232 I233 T234T226-L230 HydrophobicContact CG2-CD1 4.3Å; T226-L230 HydrophobicContact CG2-CG 4.42Å; T226-L230 WeakPolarHBondContact O-CB 3.5Å; T226-L230 WeakPolarHBondContact O-CG 3.5Å; T226-L230 PolarHBondContact O-N 3.46Å; E227-L230 CarbonylContact O-C 3.57Å; E227-L230 PolarHBondContact O-N 2.93Å; L230-S232 VanDerWaalsContact C-N 3.31Å; L230-S232 PolarHBondContact O-N 3.22Å; L230-I233 CarbonylContact O-C 3.6Å; L230-I233 WeakPolarHBondContact O-CA 3.47Å; L230-I233 WeakPolarHBondContact O-CB 3.48Å; L230-I233 PolarHBondContact O-N 3.17Å; L230-T234 WeakPolarHBondContact O-CB 3.03Å; L230-T234 VanDerWaalsContact O-CG2 3.26Å; L230-T234 WeakPolarHBondContact O-CG2 3.33Å; L230-T234 PolarHBondContact O-N 3.38Å; L230-T234 PolarHBondContact O-OG1 2.82Å; L230-T234 VanDerWaalsContact O-OG1 3.14Å
231D88.2Confident80.7Confident94 Ų9495.8 Ų95.850%0.50349%0.487SS..Hα-helixtrans-60.7-39.8174.6-90.51.3000112.5E227 R229 I233 T234 K235E227-D231 WeakPolarHBondContact O-CB 3.26Å; E227-D231 PolarHBondContact O-N 3.09Å; R229-D231 VanDerWaalsContact C-N 3.3Å; R229-D231 PolarHBondContact O-N 3.45Å; D231-I233 VanDerWaalsContact C-N 3.29Å; D231-I233 PolarHBondContact O-N 3.48Å; D231-T234 VanDerWaalsContact CA-OG1 3.23Å; D231-T234 WeakPolarHBondContact CA-OG1 3.23Å; D231-T234 PolarHBondContact O-OG1 2.72Å; D231-T234 VanDerWaalsContact O-OG1 3.09Å; D231-K235 WeakPolarHBondContact O-CB 3.46Å; D231-K235 PolarHBondContact O-N 3.14Å
232S86.1Confident80.2Confident50 Ų5098 Ų9835%0.3549%0.494SS..Hα-helixtrans-65-36.9174.383.30000111.7S228 R229 L230 R236S228-S232 WeakPolarHBondContact O-CB 3.47Å; S228-S232 PolarHBondContact O-N 2.68Å; R229-S232 WeakPolarHBondContact O-CB 3.45Å; R229-S232 PolarHBondContact O-N 3.03Å; R229-S232 VanDerWaalsContact O-N 3.17Å; R229-S232 PolarHBondContact O-OG 2.66Å; L230-S232 VanDerWaalsContact C-N 3.31Å; L230-S232 PolarHBondContact O-N 3.22Å; S232-R236 WeakPolarHBondContact O-CB 3.46Å; S232-R236 WeakPolarHBondContact O-CD 3.27Å; S232-R236 WeakPolarHBondContact O-CG 3.3Å; S232-R236 PolarHBondContact O-N 2.93Å; S232-R236 VanDerWaalsContact O-N 3.1Å
233I84.4Confident79.4Confident90 Ų90100 Ų10046%0.46251%0.507SS..Hα-helixtrans-73.9-48.1178.3-67.5166000110.1R229 L230 D231 K235 R236 T237R229-I233 VanDerWaalsContact O-CG1 3.3Å; R229-I233 WeakPolarHBondContact O-CG1 3.48Å; R229-I233 PolarHBondContact O-N 3.1Å; L230-I233 CarbonylContact O-C 3.6Å; L230-I233 WeakPolarHBondContact O-CA 3.47Å; L230-I233 WeakPolarHBondContact O-CB 3.48Å; L230-I233 PolarHBondContact O-N 3.17Å; D231-I233 VanDerWaalsContact C-N 3.29Å; D231-I233 PolarHBondContact O-N 3.48Å; I233-K235 VanDerWaalsContact C-N 3.3Å; I233-K235 PolarHBondContact O-N 2.89Å; I233-R236 CarbonylContact O-C 3.58Å; I233-R236 WeakPolarHBondContact O-CA 3.49Å; I233-R236 WeakPolarHBondContact O-CB 3.13Å; I233-R236 PolarHBondContact O-N 3.09Å; I233-R236 VanDerWaalsContact O-N 3.09Å; I233-T237 HydrophobicContact CG2-CG2 4.43Å; I233-T237 WeakPolarHBondContact O-CG2 3.19Å; I233-T237 PolarHBondContact O-N 3.28Å; I233-T237 PolarHBondContact O-OG1 2.8Å
234T84.4Confident78.6Confident70 Ų70100 Ų10043%0.42951%0.509SS..Hα-helixtrans-63.3-36.8177.960.60000110.6L230 D231 T237 A238L230-T234 WeakPolarHBondContact O-CB 3.03Å; L230-T234 VanDerWaalsContact O-CG2 3.26Å; L230-T234 WeakPolarHBondContact O-CG2 3.33Å; L230-T234 PolarHBondContact O-N 3.38Å; L230-T234 PolarHBondContact O-OG1 2.82Å; L230-T234 VanDerWaalsContact O-OG1 3.14Å; D231-T234 VanDerWaalsContact CA-OG1 3.23Å; D231-T234 WeakPolarHBondContact CA-OG1 3.23Å; D231-T234 PolarHBondContact O-OG1 2.72Å; D231-T234 VanDerWaalsContact O-OG1 3.09Å; T234-T237 VanDerWaalsContact CA-OG1 3.27Å; T234-T237 WeakPolarHBondContact CA-OG1 3.06Å; T234-T237 PolarHBondContact O-N 3.42Å; T234-T237 PolarHBondContact O-OG1 2.73Å; T234-A238 WeakPolarHBondContact O-CA 3.46Å; T234-A238 WeakPolarHBondContact O-CB 3.44Å; T234-A238 PolarHBondContact O-N 3.42Å
235K86.5Confident77.6Confident122 Ų122100 Ų10053%0.5351%0.513SS..Hα-helixtrans-68.4-36.4173.4-170.5173.2-170.6172.60111.9D231 I233 R239D231-K235 WeakPolarHBondContact O-CB 3.46Å; D231-K235 PolarHBondContact O-N 3.14Å; I233-K235 VanDerWaalsContact C-N 3.3Å; I233-K235 PolarHBondContact O-N 2.89Å; K235-R239 VanDerWaalsContact O-CB 3.28Å; K235-R239 WeakPolarHBondContact O-CB 3.28Å; K235-R239 WeakPolarHBondContact O-CD 3.22Å; K235-R239 WeakPolarHBondContact O-CG 3.43Å; K235-R239 PolarHBondContact O-N 3.34Å
236R80.6Confident77.3Confident174 Ų174102.4 Ų102.466%0.65752%0.522SS*.Hα-helixtrans-67.2-45172.9-74.7169.3-175.4-1652.7110.9S232 I233 R239 L240S232-R236 WeakPolarHBondContact O-CB 3.46Å; S232-R236 WeakPolarHBondContact O-CD 3.27Å; S232-R236 WeakPolarHBondContact O-CG 3.3Å; S232-R236 PolarHBondContact O-N 2.93Å; S232-R236 VanDerWaalsContact O-N 3.1Å; I233-R236 CarbonylContact O-C 3.58Å; I233-R236 WeakPolarHBondContact O-CA 3.49Å; I233-R236 WeakPolarHBondContact O-CB 3.13Å; I233-R236 PolarHBondContact O-N 3.09Å; I233-R236 VanDerWaalsContact O-N 3.09Å; R236-R239 PolarHBondContact O-N 2.91Å; R236-L240 VanDerWaalsContact O-CG 3.28Å; R236-L240 WeakPolarHBondContact O-CG 3.28Å; R236-L240 PolarHBondContact O-N 2.97Å
237T77.8Confident77.1Confident78 Ų78109.9 Ų109.948%0.47954%0.543SS..Hα-helixtrans-68.3-39177.657.80000112I233 T234 R239 L240 L241I233-T237 HydrophobicContact CG2-CG2 4.43Å; I233-T237 WeakPolarHBondContact O-CG2 3.19Å; I233-T237 PolarHBondContact O-N 3.28Å; I233-T237 PolarHBondContact O-OG1 2.8Å; T234-T237 VanDerWaalsContact CA-OG1 3.27Å; T234-T237 WeakPolarHBondContact CA-OG1 3.06Å; T234-T237 PolarHBondContact O-N 3.42Å; T234-T237 PolarHBondContact O-OG1 2.73Å; T237-R239 VanDerWaalsContact C-N 3.35Å; T237-L240 CarbonylContact O-C 3.52Å; T237-L240 WeakPolarHBondContact O-CB 3.47Å; T237-L240 PolarHBondContact O-N 3.36Å; T237-L240 VanDerWaalsContact O-N 3.17Å; T237-L241 WeakPolarHBondContact O-CB 3.44Å; T237-L241 PolarHBondContact O-N 2.82Å
238A78.7Confident76.9Confident54 Ų54115.2 Ų115.245%0.44656%0.558SS.*Hα-helixtrans-65.1-38173.700000111.5T234 L241 H242T234-A238 WeakPolarHBondContact O-CA 3.46Å; T234-A238 WeakPolarHBondContact O-CB 3.44Å; T234-A238 PolarHBondContact O-N 3.42Å; A238-L241 PolarHBondContact O-N 2.8Å; A238-H242 WeakPolarHBondContact O-CB 3.12Å; A238-H242 PolarHBondContact O-N 3.17Å
239R72.9Confident76.5Confident141 Ų141115.5 Ų115.553%0.53255%0.552SS.*Hα-helixtrans-63.8-43.3170.2-77.2170.6-179.7-176.8-2.1111.2K235 R236 T237 L241 H242 L243K235-R239 VanDerWaalsContact O-CB 3.28Å; K235-R239 WeakPolarHBondContact O-CB 3.28Å; K235-R239 WeakPolarHBondContact O-CD 3.22Å; K235-R239 WeakPolarHBondContact O-CG 3.43Å; K235-R239 PolarHBondContact O-N 3.34Å; R236-R239 PolarHBondContact O-N 2.91Å; T237-R239 VanDerWaalsContact C-N 3.35Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 2.84Å; R239-H242 PolarHBondContact O-N 3.26Å; R239-L243 WeakPolarHBondContact O-CB 3.35Å; R239-L243 WeakPolarHBondContact O-CD1 3.39Å; R239-L243 WeakPolarHBondContact O-CG 3.39Å; R239-L243 PolarHBondContact O-N 3.41Å
240L69.3Low76.5Confident127 Ų127115.4 Ų115.467%0.66555%0.552SS**Hα-helixtrans-63-35.3176.3-69.6172.1000112R236 T237R236-L240 VanDerWaalsContact O-CG 3.28Å; R236-L240 WeakPolarHBondContact O-CG 3.28Å; R236-L240 PolarHBondContact O-N 2.97Å; T237-L240 CarbonylContact O-C 3.52Å; T237-L240 WeakPolarHBondContact O-CB 3.47Å; T237-L240 PolarHBondContact O-N 3.36Å; T237-L240 VanDerWaalsContact O-N 3.17Å
241L68.5Low76.3Confident138 Ų138115.1 Ų115.172%0.72356%0.557SS**Hα-helixtrans-69.7-45.2173.3-166.389.8000111.6T237 A238 R239 N244T237-L241 WeakPolarHBondContact O-CB 3.44Å; T237-L241 PolarHBondContact O-N 2.82Å; A238-L241 PolarHBondContact O-N 2.8Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 2.84Å; L241-N244 WeakPolarHBondContact O-CB 3.49Å; L241-N244 PolarHBondContact O-N 3.09Å
242H69Low76.2Confident124 Ų124113.5 Ų113.557%0.57456%0.557SS**Hα-helixtrans-68.2-35.2-178.6169.6-85.6000112.5A238 R239 N244 T245A238-H242 WeakPolarHBondContact O-CB 3.12Å; A238-H242 PolarHBondContact O-N 3.17Å; R239-H242 PolarHBondContact O-N 3.26Å; H242-N244 PolarHBondContact O-N 3.11Å; H242-N244 VanDerWaalsContact O-N 3.14Å; H242-T245 WeakPolarHBondContact O-CG2 3.48Å; H242-T245 PolarHBondContact O-N 3.14Å; H242-T245 VanDerWaalsContact O-N 3.11Å; H242-T245 PolarHBondContact O-OG1 3.2Å; H242-T245 VanDerWaalsContact O-OG1 3.09Å
243L57.9Low76.3Confident110 Ų110115.6 Ų115.658%0.57656%0.563SS**THydrogen-bonded Turntrans-70.9-4.6176.7-66.1167.1000112.8R239R239-L243 WeakPolarHBondContact O-CB 3.35Å; R239-L243 WeakPolarHBondContact O-CD1 3.39Å; R239-L243 WeakPolarHBondContact O-CG 3.39Å; R239-L243 PolarHBondContact O-N 3.41Å
244N61Low76.6Confident93 Ų93117.3 Ų117.350%0.49757%0.567SS.*THydrogen-bonded Turntrans-945.4172.8-140.113.2000112.6L241 H242 D246 Q249L241-N244 WeakPolarHBondContact O-CB 3.49Å; L241-N244 PolarHBondContact O-N 3.09Å; H242-N244 PolarHBondContact O-N 3.11Å; H242-N244 VanDerWaalsContact O-N 3.14Å; N244-D246 VanDerWaalsContact C-N 3.29Å; N244-D246 PolarHBondContact O-N 2.89Å; N244-Q249 PolarHBondContact OD1-OE1 2.97Å
245T63.2Low76.9Confident83 Ų83117.1 Ų117.151%0.50957%0.569SS.*  trans-91.819.2178.278.20000113H242 R247H242-T245 WeakPolarHBondContact O-CG2 3.48Å; H242-T245 PolarHBondContact O-N 3.14Å; H242-T245 VanDerWaalsContact O-N 3.11Å; H242-T245 PolarHBondContact O-OG1 3.2Å; H242-T245 VanDerWaalsContact O-OG1 3.09Å; T245-R247 PolarHBondContact O-N 3.24Å
246D73.5Confident77.1Confident94 Ų94117.2 Ų117.250%0.50358%0.575SS.*  trans-67.2122.4175.6-82.5-24.1000109.5N244 R248 Q249 W250N244-D246 VanDerWaalsContact C-N 3.29Å; N244-D246 PolarHBondContact O-N 2.89Å; D246-R248 PolarHBondContact O-N 2.98Å; D246-Q249 HydrophobicContact CB-CB 4.29Å; D246-Q249 HydrophobicContact CB-CG 4.11Å; D246-Q249 WeakPolarHBondContact O-CB 3.5Å; D246-Q249 PolarHBondContact O-N 3.04Å; D246-W250 PolarHBondContact O-N 3.49Å
247R78.5Confident77.7Confident221 Ų221113.7 Ų113.783%0.83457%0.568SS**Hα-helixtrans-51.4-31.6177.5-68.2-174.4-170.1170.83.3112.1T245 C251T245-R247 PolarHBondContact O-N 3.24Å; R247-C251 PolarHBondContact O-N 3.49Å; R247-C251 PolarHBondContact O-SG 2.95Å
248R78Confident78.5Confident221 Ų221113.8 Ų113.883%0.83457%0.565SS**Hα-helixtrans-68-41.8177-63.8-177.2-179.7-161.70.2112.6D246 C251 A252D246-R248 PolarHBondContact O-N 2.98Å; R248-C251 PolarHBondContact O-N 3.4Å; R248-A252 PolarHBondContact O-N 3.42Å
249Q79.9Confident79.2Confident75 Ų75114.8 Ų114.835%0.3557%0.566SS.*Hα-helixtrans-67.8-41.9175.5-72.5177.8-18.700110.9N244 D246 C251 A252 I253N244-Q249 PolarHBondContact OD1-OE1 2.97Å; D246-Q249 HydrophobicContact CB-CB 4.29Å; D246-Q249 HydrophobicContact CB-CG 4.11Å; D246-Q249 WeakPolarHBondContact O-CB 3.5Å; D246-Q249 PolarHBondContact O-N 3.04Å; Q249-C251 VanDerWaalsContact C-N 3.33Å; Q249-C251 PolarHBondContact O-N 2.97Å; Q249-A252 WeakPolarHBondContact O-CB 3.33Å; Q249-A252 PolarHBondContact O-N 2.9Å; Q249-A252 VanDerWaalsContact O-N 3.08Å; Q249-I253 PolarHBondContact O-N 2.86Å
250W81.6Confident80.2Confident168 Ų168112.8 Ų112.864%0.63657%0.565SS**Hα-helixtrans-59-42.1173.1-104.691.6000112.4D246 F254D246-W250 PolarHBondContact O-N 3.49Å; W250-F254 WeakPolarHBondContact O-CB 3.46Å; W250-F254 PolarHBondContact O-N 3.29Å
251C82Confident81.4Confident91 Ų91111 Ų11162%0.61556%0.556SS**Hα-helixtrans-62.2-40.5171.8-80.70000112.6R247 R248 Q249 F254 S255R247-C251 PolarHBondContact O-N 3.49Å; R247-C251 PolarHBondContact O-SG 2.95Å; R248-C251 PolarHBondContact O-N 3.4Å; Q249-C251 VanDerWaalsContact C-N 3.33Å; Q249-C251 PolarHBondContact O-N 2.97Å; C251-F254 PolarHBondContact O-N 2.9Å; C251-S255 VanDerWaalsContact O-CB 3.25Å; C251-S255 WeakPolarHBondContact O-CB 3.21Å; C251-S255 PolarHBondContact O-N 2.98Å
252A87.4Confident82.7Confident59 Ų59108.7 Ų108.749%0.48855%0.547SS..Hα-helixtrans-65.2-46.3178.200000111.8R248 Q249 S255 L256R248-A252 PolarHBondContact O-N 3.42Å; Q249-A252 WeakPolarHBondContact O-CB 3.33Å; Q249-A252 PolarHBondContact O-N 2.9Å; Q249-A252 VanDerWaalsContact O-N 3.08Å; A252-S255 WeakPolarHBondContact O-CB 3.42Å; A252-S255 PolarHBondContact O-N 3.38Å; A252-L256 WeakPolarHBondContact O-CB 3.38Å; A252-L256 PolarHBondContact O-N 3.46Å
253I87Confident83.9Confident94 Ų94107.6 Ų107.648%0.48254%0.544SS..Hα-helixtrans-60.8-45.1174.8-80.3149.6000111Q249 L256 L257Q249-I253 PolarHBondContact O-N 2.86Å; I253-L256 PolarHBondContact O-N 3.08Å; I253-L257 WeakPolarHBondContact O-CB 3.49Å; I253-L257 PolarHBondContact O-N 2.91Å
254F90.2Very high85.6Confident126 Ų126107.5 Ų107.555%0.55354%0.544SS*.Hα-helixtrans-63.3-42.7177.9-171.6-103.2000112W250 C251 L257 I258W250-F254 WeakPolarHBondContact O-CB 3.46Å; W250-F254 PolarHBondContact O-N 3.29Å; C251-F254 PolarHBondContact O-N 2.9Å; F254-L257 PolarHBondContact O-N 2.84Å; F254-I258 HydrophobicContact CD1-CD1 3.61Å; F254-I258 HydrophobicContact CD1-CG1 4.5Å; F254-I258 HydrophobicContact CE1-CD1 3.33Å; F254-I258 HydrophobicContact CE1-CG1 4.29Å; F254-I258 HydrophobicContact CG-CD1 4.48Å; F254-I258 HydrophobicContact CZ-CD1 3.99Å; F254-I258 WeakPolarHBondContact O-CG1 3.25Å; F254-I258 PolarHBondContact O-N 3.34Å
255S90.8Very high87.2Confident67 Ų67107.5 Ų107.547%0.46954%0.543SS..Hα-helixtrans-59.4-46.6173.3163.10000111.8C251 A252 L257 I258 T259C251-S255 VanDerWaalsContact O-CB 3.25Å; C251-S255 WeakPolarHBondContact O-CB 3.21Å; C251-S255 PolarHBondContact O-N 2.98Å; A252-S255 WeakPolarHBondContact O-CB 3.42Å; A252-S255 PolarHBondContact O-N 3.38Å; S255-L257 VanDerWaalsContact C-N 3.32Å; S255-L257 PolarHBondContact O-N 3.14Å; S255-I258 PolarHBondContact O-N 3.02Å; S255-T259 PolarHBondContact O-N 3.29Å; S255-T259 PolarHBondContact O-OG1 3.48Å; S255-T259 VanDerWaalsContact O-OG1 3.14Å
256L91.3Very high88.7Confident124 Ų124109.6 Ų109.665%0.64955%0.55SS**Hα-helixtrans-65.4-38.9-179.1-140.7166.3000110.9A252 I253 T259 L260A252-L256 WeakPolarHBondContact O-CB 3.38Å; A252-L256 PolarHBondContact O-N 3.46Å; I253-L256 PolarHBondContact O-N 3.08Å; L256-T259 PolarHBondContact O-N 3.33Å; L256-L260 WeakPolarHBondContact O-CB 3.33Å; L256-L260 PolarHBondContact O-N 3.32Å
257L93.8Very high89.6Confident99 Ų99112.5 Ų112.552%0.51856%0.559SS.*Hα-helixtrans-65-39.2175.7-167.5136.1000112.2I253 F254 S255 L260 L261I253-L257 WeakPolarHBondContact O-CB 3.49Å; I253-L257 PolarHBondContact O-N 2.91Å; F254-L257 PolarHBondContact O-N 2.84Å; S255-L257 VanDerWaalsContact C-N 3.32Å; S255-L257 PolarHBondContact O-N 3.14Å; L257-L260 PolarHBondContact O-N 2.96Å; L257-L261 WeakPolarHBondContact O-CB 3.43Å; L257-L261 PolarHBondContact O-N 3.47Å
258I95.1Very high90.3Very high80 Ų80105.1 Ų105.141%0.4155%0.552SS.*Hα-helixtrans-62-48.5172.2-72.9165.7000110.8F254 S255 L260 L261 V262F254-I258 HydrophobicContact CD1-CD1 3.61Å; F254-I258 HydrophobicContact CD1-CG1 4.5Å; F254-I258 HydrophobicContact CE1-CD1 3.33Å; F254-I258 HydrophobicContact CE1-CG1 4.29Å; F254-I258 HydrophobicContact CG-CD1 4.48Å; F254-I258 HydrophobicContact CZ-CD1 3.99Å; F254-I258 WeakPolarHBondContact O-CG1 3.25Å; F254-I258 PolarHBondContact O-N 3.34Å; S255-I258 PolarHBondContact O-N 3.02Å; I258-L260 VanDerWaalsContact C-N 3.32Å; I258-L260 PolarHBondContact O-N 2.92Å; I258-L261 PolarHBondContact O-N 3.46Å; I258-L261 VanDerWaalsContact O-N 3.15Å; I258-V262 WeakPolarHBondContact O-CG2 3.37Å; I258-V262 PolarHBondContact O-N 3.06Å
259T93Very high90.6Very high75 Ų75101.3 Ų101.346%0.4655%0.546SS..Hα-helixtrans-61-42.2179.3-54.40000111.5S255 L256 L261 V262 I263S255-T259 PolarHBondContact O-N 3.29Å; S255-T259 PolarHBondContact O-OG1 3.48Å; S255-T259 VanDerWaalsContact O-OG1 3.14Å; L256-T259 PolarHBondContact O-N 3.33Å; T259-L261 VanDerWaalsContact C-N 3.33Å; T259-L261 PolarHBondContact O-N 3.27Å; T259-V262 PolarHBondContact O-N 2.95Å; T259-I263 HydrophobicContact CG2-CD1 4.28Å; T259-I263 WeakPolarHBondContact O-CG1 3.41Å; T259-I263 PolarHBondContact O-N 3.32Å
260L93Very high90.4Very high99 Ų99107 Ų10752%0.51858%0.578SS.*Hα-helixtrans-59.2-43.9174-176.377000111.6L256 L257 I258 I263 L264L256-L260 WeakPolarHBondContact O-CB 3.33Å; L256-L260 PolarHBondContact O-N 3.32Å; L257-L260 PolarHBondContact O-N 2.96Å; I258-L260 VanDerWaalsContact C-N 3.32Å; I258-L260 PolarHBondContact O-N 2.92Å; L260-I263 PolarHBondContact O-N 3.5Å; L260-L264 HydrophobicContact CG-CD1 4.39Å; L260-L264 PolarHBondContact O-N 3.42Å
261L94.8Very high90.8Very high91 Ų91103.9 Ų103.948%0.47658%0.575SS.*Hα-helixtrans-65.1-39.6179.6-168.1147.1000111.6L257 I258 T259 L264 I265L257-L261 WeakPolarHBondContact O-CB 3.43Å; L257-L261 PolarHBondContact O-N 3.47Å; I258-L261 PolarHBondContact O-N 3.46Å; I258-L261 VanDerWaalsContact O-N 3.15Å; T259-L261 VanDerWaalsContact C-N 3.33Å; T259-L261 PolarHBondContact O-N 3.27Å; L261-L264 PolarHBondContact O-N 2.92Å; L261-I265 HydrophobicContact CD2-CD1 3.48Å; L261-I265 VanDerWaalsContact CD2-CD1 3.48Å; L261-I265 HydrophobicContact CD2-CG1 4.2Å; L261-I265 WeakPolarHBondContact O-CG1 3.5Å; L261-I265 PolarHBondContact O-N 3.4Å
262V95.2Very high91.3Very high88 Ų88104.6 Ų104.653%0.53357%0.573SS.*Hα-helixtrans-61.5-43.9173.3172.20000111.4I258 T259 L264 I265 L266I258-V262 WeakPolarHBondContact O-CG2 3.37Å; I258-V262 PolarHBondContact O-N 3.06Å; T259-V262 PolarHBondContact O-N 2.95Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 3.34Å; V262-I265 PolarHBondContact O-N 2.93Å; V262-L266 WeakPolarHBondContact O-CB 3.43Å; V262-L266 PolarHBondContact O-N 3.15Å
263I94.2Very high91.5Very high101 Ų101107.1 Ų107.152%0.51858%0.577SS.*Hα-helixtrans-62.7-42.5177.2-67.8166.6000110.8T259 L260 L266 F267T259-I263 HydrophobicContact CG2-CD1 4.28Å; T259-I263 WeakPolarHBondContact O-CG1 3.41Å; T259-I263 PolarHBondContact O-N 3.32Å; L260-I263 PolarHBondContact O-N 3.5Å; I263-L266 PolarHBondContact O-N 3.16Å; I263-F267 WeakPolarHBondContact O-CB 3.4Å; I263-F267 PolarHBondContact O-N 2.97Å
264L93.9Very high91.8Very high109 Ų109107.9 Ų107.957%0.57158%0.583SS**Hα-helixtrans-64.6-40.5176.6-78.9170.3000112.6L260 L261 V262 F267 G268L260-L264 HydrophobicContact CG-CD1 4.39Å; L260-L264 PolarHBondContact O-N 3.42Å; L261-L264 PolarHBondContact O-N 2.92Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 3.34Å; L264-F267 PolarHBondContact O-N 3.27Å; L264-G268 PolarHBondContact O-N 2.92Å
265I95.4Very high91.9Very high92 Ų92106.8 Ų106.847%0.47259%0.585SS.*Hα-helixtrans-63-46.9174.5-71.7174.6000110.1L261 V262 F267 G268 I269L261-I265 HydrophobicContact CD2-CD1 3.48Å; L261-I265 VanDerWaalsContact CD2-CD1 3.48Å; L261-I265 HydrophobicContact CD2-CG1 4.2Å; L261-I265 WeakPolarHBondContact O-CG1 3.5Å; L261-I265 PolarHBondContact O-N 3.4Å; V262-I265 PolarHBondContact O-N 2.93Å; I265-F267 VanDerWaalsContact C-N 3.3Å; I265-F267 PolarHBondContact O-N 2.81Å; I265-G268 PolarHBondContact O-N 3.42Å; I265-I269 HydrophobicContact CG2-CD1 3.47Å; I265-I269 VanDerWaalsContact CG2-CD1 3.47Å; I265-I269 HydrophobicContact CG2-CG1 4.31Å; I265-I269 WeakPolarHBondContact O-CB 3.35Å; I265-I269 WeakPolarHBondContact O-CD1 3.41Å; I265-I269 WeakPolarHBondContact O-CG1 3.37Å; I265-I269 PolarHBondContact O-N 2.89Å
266L93.2Very high91.9Very high127 Ų127109.4 Ų109.467%0.66559%0.593SS**Hα-helixtrans-58.3-45.1178-171.281.9000111V262 I263 L270V262-L266 WeakPolarHBondContact O-CB 3.43Å; V262-L266 PolarHBondContact O-N 3.15Å; I263-L266 PolarHBondContact O-N 3.16Å; L266-L270 WeakPolarHBondContact O-CB 3.22Å; L266-L270 PolarHBondContact O-N 3.36Å; L266-L270 VanDerWaalsContact O-N 3.16Å
267F93.9Very high92Very high156 Ų156108.4 Ų108.468%0.68459%0.589SS**Hα-helixtrans-71-33.2179-173.6-97.5000113.3I263 L264 I265 L270I263-F267 WeakPolarHBondContact O-CB 3.4Å; I263-F267 PolarHBondContact O-N 2.97Å; L264-F267 PolarHBondContact O-N 3.27Å; I265-F267 VanDerWaalsContact C-N 3.3Å; I265-F267 PolarHBondContact O-N 2.81Å; F267-L270 VanDerWaalsContact O-OXT 3.08Å
268G91.8Very high91.9Very high66 Ų66109.1 Ų109.168%0.6859%0.594SS**Hα-helixtrans-77.7-20.9177.200000114L264 I265L264-G268 PolarHBondContact O-N 2.92Å; I265-G268 PolarHBondContact O-N 3.42Å
269I85.9Confident91.6Very high140 Ų140111.5 Ų111.572%0.71861%0.609SS**Hα-helixtrans-84.1-29.8173.9-70.2169.4000111.4I265I265-I269 HydrophobicContact CG2-CD1 3.47Å; I265-I269 VanDerWaalsContact CG2-CD1 3.47Å; I265-I269 HydrophobicContact CG2-CG1 4.31Å; I265-I269 WeakPolarHBondContact O-CB 3.35Å; I265-I269 WeakPolarHBondContact O-CD1 3.41Å; I265-I269 WeakPolarHBondContact O-CG1 3.37Å; I265-I269 PolarHBondContact O-N 2.89Å
270L74.5Confident91.4Very high194 Ų194114.8 Ų114.8100%1.01662%0.623SS**  trans-80.50178.3-171.570.2000111.7L266 F267L266-L270 WeakPolarHBondContact O-CB 3.22Å; L266-L270 PolarHBondContact O-N 3.36Å; L266-L270 VanDerWaalsContact O-N 3.16Å; F267-L270 VanDerWaalsContact O-OXT 3.08Å

Retrieved 270 of 270 residues in 63.7 ms (Link to these results)