A0A077ZKW8_TRITR Loading...

Gag-Pol polyprotein

AlphaFold DB , UniProt , Accession A0A077ZKW8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 132 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
1M51.2Low67Low64 Ų6477.8 Ų77.832%0.31544%0.442SS..  01110-49-174.988.200113.2F13 K61 D64M1-F13 HydrophobicContact CE-CD2 3.83Å; M1-F13 HydrophobicContact CE-CE1 4.31Å; M1-F13 HydrophobicContact CE-CE2 3.4Å; M1-F13 VanDerWaalsContact CE-CE2 3.4Å; M1-F13 HydrophobicContact CE-CG 4.44Å; M1-F13 HydrophobicContact CE-CZ 3.69Å; M1-K61 HydrophobicContact CB-CD 4Å; M1-K61 HydrophobicContact CG-CD 3.95Å; M1-K61 PolarHBondContact O-NZ 2.97Å; M1-K61 HydrophobicContact SD-CD 4.27Å; M1-D64 HydrophobicContact CG-CB 4.37Å; M1-D64 WeakPolarHBondContact CG-OD2 3.24Å; M1-D64 HydrophobicContact SD-CB 4.07Å
2P53.9Low67.8Low106 Ų10678.8 Ų78.869%0.68846%0.457SS*.  trans-61.3162.1157.729-32.8000110
3A58.8Low68.3Low84 Ų8474.5 Ų74.569%0.69443%0.43SS*.  trans-54.5139.4169.100000108.8S5A3-S5 PolarHBondContact O-N 3.23Å
4P61.8Low69.1Low42 Ų4269.8 Ų69.827%0.27340%0.402SS..  trans-54.7114.1176.219.9-28.6000108.1D6 Y9 L10 W44P4-D6 PolarHBondContact O-N 3.05Å; P4-Y9 HydrophobicContact CB-CD1 4.09Å; P4-L10 HydrophobicContact CB-CB 4.44Å; P4-W44 HydrophobicContact CB-CH2 4.13Å; P4-W44 HydrophobicContact CB-CZ2 3.9Å; P4-W44 HydrophobicContact CG-CH2 4.02Å; P4-W44 HydrophobicContact CG-CZ2 3.82Å; P4-W44 WeakPolarHBondContact O-CZ2 3.49Å
5S65.6Low69.8Low108 Ų10868 Ų6876%0.75541%0.405SS*.  trans-72-26.7-174.553.80000111.6A3A3-S5 PolarHBondContact O-N 3.23Å
6D69.2Low69.9Low85 Ų8569 Ų6946%0.45541%0.407SS..SBendtrans-150.2154.4-174.5-168.114000111.8P4 S8 Y9 L10P4-D6 PolarHBondContact O-N 3.05Å; D6-S8 PolarHBondContact O-N 3.12Å; D6-S8 PolarHBondContact OD2-OG 2.99Å; D6-Y9 PolarHBondContact O-N 3.44Å; D6-L10 PolarHBondContact O-N 3.45Å
7Q71.8Confident70.1Confident61 Ų6165.8 Ų65.829%0.28539%0.388SS..Hα-helixtrans-60.3-33.4178.1-167.1-179.38.300111.6L10 R11 L38Q7-L10 PolarHBondContact O-N 3.22Å; Q7-R11 VanDerWaalsContact NE2-NH2 3.17Å; Q7-R11 PolarHBondContact O-N 2.96Å; Q7-L38 HydrophobicContact CG-CD2 3.47Å; Q7-L38 VanDerWaalsContact CG-CD2 3.47Å
8S74.9Confident70.4Confident68 Ų6867.3 Ų67.348%0.47639%0.394SS..Hα-helixtrans-60.5-48.9176.5-55.90000111.6D6 L10 R11 S12D6-S8 PolarHBondContact O-N 3.12Å; D6-S8 PolarHBondContact OD2-OG 2.99Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.31Å; S8-R11 PolarHBondContact O-N 3.32Å; S8-S12 PolarHBondContact O-N 3.26Å; S8-S12 VanDerWaalsContact O-N 3.1Å; S8-S12 PolarHBondContact O-OG 3.47Å
9Y74.8Confident70.6Confident102 Ų10273.2 Ų73.240%0.441%0.411SS..Hα-helixtrans-61-42.3176.7178.5-97.7000111.3P4 D6 R11 S12 F13P4-Y9 HydrophobicContact CB-CD1 4.09Å; D6-Y9 PolarHBondContact O-N 3.44Å; Y9-R11 VanDerWaalsContact C-N 3.34Å; Y9-R11 PolarHBondContact O-N 3.48Å; Y9-S12 PolarHBondContact O-N 2.9Å; Y9-F13 VanDerWaalsContact O-CB 3.3Å; Y9-F13 WeakPolarHBondContact O-CB 3.27Å; Y9-F13 PolarHBondContact O-N 2.92Å
10L77.6Confident70.4Confident2 Ų270.8 Ų70.81%0.0140%0.396CS..Hα-helixtrans-61.3-41.8177.1179.265.3000112P4 D6 Q7 S8 F13 L14 F34 L37 L38 W44P4-L10 HydrophobicContact CB-CB 4.44Å; D6-L10 PolarHBondContact O-N 3.45Å; Q7-L10 PolarHBondContact O-N 3.22Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.31Å; L10-F13 PolarHBondContact O-N 3.08Å; L10-L14 HydrophobicContact CD1-CD1 4.39Å; L10-L14 HydrophobicContact CD1-CG 4.25Å; L10-L14 HydrophobicContact CG-CD1 4.15Å; L10-L14 HydrophobicContact CG-CG 4.43Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 WeakPolarHBondContact O-CG 3.3Å; L10-L14 PolarHBondContact O-N 3.18Å; L10-F34 HydrophobicContact CD1-CB 4.4Å; L10-F34 HydrophobicContact CD1-CD1 3.37Å; L10-F34 HydrophobicContact CD1-CE1 3.92Å; L10-F34 HydrophobicContact CD1-CG 4.16Å; L10-F34 HydrophobicContact CD2-CB 4.38Å; L10-F34 HydrophobicContact CD2-CD1 4.08Å; L10-F34 HydrophobicContact CG-CD1 4.34Å; L10-L37 HydrophobicContact CD2-CB 3.96Å; L10-L37 HydrophobicContact CD2-CD1 3.78Å; L10-L37 HydrophobicContact CD2-CG 4.44Å; L10-L38 HydrophobicContact CD2-CD2 4.12Å; L10-L38 HydrophobicContact CD2-CG 4.26Å; L10-W44 HydrophobicContact CB-CH2 4.12Å; L10-W44 HydrophobicContact CD2-CH2 3.69Å; L10-W44 HydrophobicContact CD2-CZ3 3.68Å; L10-W44 HydrophobicContact CG-CH2 4.45Å
11R77Confident70.4Confident134 Ų13468.4 Ų68.451%0.50639%0.387SS..Hα-helixtrans-62.7-46177.1-77.4-172.3179.2123.7-0.2112.1Q7 S8 Y9 F13 L14 G15 L38Q7-R11 VanDerWaalsContact NE2-NH2 3.17Å; Q7-R11 PolarHBondContact O-N 2.96Å; S8-R11 PolarHBondContact O-N 3.32Å; Y9-R11 VanDerWaalsContact C-N 3.34Å; Y9-R11 PolarHBondContact O-N 3.48Å; R11-F13 VanDerWaalsContact C-N 3.32Å; R11-F13 PolarHBondContact O-N 3.5Å; R11-L14 PolarHBondContact O-N 3.12Å; R11-G15 PolarHBondContact O-N 2.99Å; R11-L38 HydrophobicContact CG-CD1 3.93Å; R11-L38 HydrophobicContact CG-CD2 3.61Å; R11-L38 HydrophobicContact CG-CG 4.45Å
12S77.1Confident71.3Confident90 Ų9072.9 Ų72.963%0.62941%0.412SS*.Hα-helixtrans-60.9-44.1177-61.30000111.4S8 Y9 G15 L16S8-S12 PolarHBondContact O-N 3.26Å; S8-S12 VanDerWaalsContact O-N 3.1Å; S8-S12 PolarHBondContact O-OG 3.47Å; Y9-S12 PolarHBondContact O-N 2.9Å; S12-G15 PolarHBondContact O-N 3.34Å; S12-G15 VanDerWaalsContact O-N 3.16Å; S12-L16 PolarHBondContact O-N 3.07Å
13F74.8Confident72Confident23 Ų2375.2 Ų75.210%0.10141%0.412CS..Hα-helixtrans-62.3-43.7177179.4-97.9000112.2M1 Y9 L10 R11 G15 L16 V17 L60M1-F13 HydrophobicContact CE-CD2 3.83Å; M1-F13 HydrophobicContact CE-CE1 4.31Å; M1-F13 HydrophobicContact CE-CE2 3.4Å; M1-F13 VanDerWaalsContact CE-CE2 3.4Å; M1-F13 HydrophobicContact CE-CG 4.44Å; M1-F13 HydrophobicContact CE-CZ 3.69Å; Y9-F13 VanDerWaalsContact O-CB 3.3Å; Y9-F13 WeakPolarHBondContact O-CB 3.27Å; Y9-F13 PolarHBondContact O-N 2.92Å; L10-F13 PolarHBondContact O-N 3.08Å; R11-F13 VanDerWaalsContact C-N 3.32Å; R11-F13 PolarHBondContact O-N 3.5Å; F13-G15 VanDerWaalsContact C-N 3.28Å; F13-G15 PolarHBondContact O-N 3.4Å; F13-L16 WeakPolarHBondContact O-CB 3.11Å; F13-L16 PolarHBondContact O-N 3.01Å; F13-V17 HydrophobicContact CD1-CG2 4.11Å; F13-V17 HydrophobicContact CE1-CG2 3.51Å; F13-V17 HydrophobicContact CE2-CG2 4.06Å; F13-V17 HydrophobicContact CZ-CG2 3.46Å; F13-V17 VanDerWaalsContact CZ-CG2 3.46Å; F13-V17 WeakPolarHBondContact O-CG2 3.44Å; F13-V17 PolarHBondContact O-N 2.93Å; F13-L60 HydrophobicContact CE1-CD1 4.37Å; F13-L60 HydrophobicContact CE1-CD2 3.36Å; F13-L60 HydrophobicContact CE1-CG 4.44Å; F13-L60 HydrophobicContact CZ-CD2 3.46Å; F13-L60 VanDerWaalsContact CZ-CD2 3.46Å
14L78.6Confident72.4Confident8 Ų871.7 Ų71.74%0.04238%0.381CS..Hα-helixtrans-63.9-33.2174-76.7175.4000112.7L10 R11 V17 N18 R31 F34 L38L10-L14 HydrophobicContact CD1-CD1 4.39Å; L10-L14 HydrophobicContact CD1-CG 4.25Å; L10-L14 HydrophobicContact CG-CD1 4.15Å; L10-L14 HydrophobicContact CG-CG 4.43Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 WeakPolarHBondContact O-CG 3.3Å; L10-L14 PolarHBondContact O-N 3.18Å; R11-L14 PolarHBondContact O-N 3.12Å; L14-V17 PolarHBondContact O-N 3.07Å; L14-N18 WeakPolarHBondContact O-CB 3.1Å; L14-N18 PolarHBondContact O-N 3.16Å; L14-R31 HydrophobicContact CD2-CG 3.85Å; L14-F34 HydrophobicContact CD1-CB 3.97Å; L14-F34 HydrophobicContact CD2-CB 4.08Å; L14-F34 HydrophobicContact CD2-CG 4.39Å; L14-F34 HydrophobicContact CG-CB 4.47Å; L14-L38 HydrophobicContact CD1-CD1 3.51Å; L14-L38 HydrophobicContact CD1-CG 4.38Å
15G79.7Confident72.9Confident43 Ų4376.9 Ų76.944%0.44340%0.402SS..Hα-helixtrans-60.8-46.5172.100000112.1R11 S12 F13 N18 Y19R11-G15 PolarHBondContact O-N 2.99Å; S12-G15 PolarHBondContact O-N 3.34Å; S12-G15 VanDerWaalsContact O-N 3.16Å; F13-G15 VanDerWaalsContact C-N 3.28Å; F13-G15 PolarHBondContact O-N 3.4Å; G15-N18 PolarHBondContact O-N 3.42Å; G15-Y19 PolarHBondContact O-N 3.47Å
16L72.3Confident73.1Confident84 Ų8474.6 Ų74.644%0.4438%0.379SS..Hα-helixtrans-61.7-48.6175.5-177.471.8000111.4S12 F13 N18 Y19 H20S12-L16 PolarHBondContact O-N 3.07Å; F13-L16 WeakPolarHBondContact O-CB 3.11Å; F13-L16 PolarHBondContact O-N 3.01Å; L16-N18 VanDerWaalsContact C-N 3.26Å; L16-N18 PolarHBondContact O-N 3.08Å; L16-Y19 WeakPolarHBondContact O-CB 3.49Å; L16-Y19 PolarHBondContact O-N 3.2Å; L16-Y19 VanDerWaalsContact O-N 3.12Å; L16-H20 PolarHBondContact O-CD2 3.47Å; L16-H20 PolarHBondContact O-N 3.13Å
17V72.9Confident73.3Confident14 Ų1471.6 Ų71.69%0.08536%0.363CS..Hα-helixtrans-62.2-36178.9170.70000111.5F13 L14 H20 G21 L27 L60F13-V17 HydrophobicContact CD1-CG2 4.11Å; F13-V17 HydrophobicContact CE1-CG2 3.51Å; F13-V17 HydrophobicContact CE2-CG2 4.06Å; F13-V17 HydrophobicContact CZ-CG2 3.46Å; F13-V17 VanDerWaalsContact CZ-CG2 3.46Å; F13-V17 WeakPolarHBondContact O-CG2 3.44Å; F13-V17 PolarHBondContact O-N 2.93Å; L14-V17 PolarHBondContact O-N 3.07Å; V17-H20 CarbonylContact O-C 3.45Å; V17-H20 PolarHBondContact O-N 2.64Å; V17-G21 PolarHBondContact O-N 3.13Å; V17-G21 VanDerWaalsContact O-N 3.12Å; V17-L27 HydrophobicContact CG1-CD1 3.16Å; V17-L27 HydrophobicContact CG1-CD2 4.09Å; V17-L27 HydrophobicContact CG1-CG 4.07Å; V17-L60 HydrophobicContact CG2-CD2 4.21Å
18N75.5Confident73.5Confident93 Ų9373 Ų7350%0.49738%0.379SS..Hα-helixtrans-69.7-33.7175.8-165.370.6000112.5L14 G15 L16 H20 G21 R31L14-N18 WeakPolarHBondContact O-CB 3.1Å; L14-N18 PolarHBondContact O-N 3.16Å; G15-N18 PolarHBondContact O-N 3.42Å; L16-N18 VanDerWaalsContact C-N 3.26Å; L16-N18 PolarHBondContact O-N 3.08Å; N18-H20 PolarHBondContact O-N 2.93Å; N18-G21 PolarHBondContact O-N 3.41Å; N18-R31 PolarHBondContact OD1-NH1 3.15Å
19Y74.4Confident73.5Confident180 Ų18076.3 Ų76.371%0.70639%0.385SS*.Hα-helixtrans-60.8-34172.5-177.7-99000111.7G15 L16G15-Y19 PolarHBondContact O-N 3.47Å; L16-Y19 WeakPolarHBondContact O-CB 3.49Å; L16-Y19 PolarHBondContact O-N 3.2Å; L16-Y19 VanDerWaalsContact O-N 3.12Å
20H66.7Low73.4Confident25 Ų2571.9 Ų71.912%0.11637%0.368CS..THydrogen-bonded Turntrans-92.99.9174.3-60.3-70000113.8L16 V17 N18 D22 F23 V24L16-H20 PolarHBondContact O-CD2 3.47Å; L16-H20 PolarHBondContact O-N 3.13Å; V17-H20 CarbonylContact O-C 3.45Å; V17-H20 PolarHBondContact O-N 2.64Å; N18-H20 PolarHBondContact O-N 2.93Å; H20-D22 PolarHBondContact O-N 2.93Å; H20-F23 HydrophobicContact CB-CD2 4.41Å; H20-F23 PolarHBondContact O-N 3.16Å; H20-V24 WeakPolarHBondContact O-CG2 3.28Å; H20-V24 PolarHBondContact O-N 3.21Å
21G70.2Confident73.5Confident20 Ų2075.1 Ų75.121%0.20638%0.381CS..G310 helixtrans-59.9-31.3-172.900000114.2V17 N18 F23 V24V17-G21 PolarHBondContact O-N 3.13Å; V17-G21 VanDerWaalsContact O-N 3.12Å; N18-G21 PolarHBondContact O-N 3.41Å; G21-F23 PolarHBondContact O-N 3.06Å; G21-V24 PolarHBondContact O-N 3.22Å
22D70.1Confident73.6Confident159 Ų15971.3 Ų71.385%0.8538%0.378SS*.G310 helixtrans-61.1-27.1175.3-68.3-19.9000112.5H20H20-D22 PolarHBondContact O-N 2.93Å
23F68.1Low73.4Confident155 Ų15568.6 Ų68.668%0.6836%0.358SS*.G310 helixtrans-95.7-16.6-178.6-52.8-77.9000112.8H20 G21H20-F23 HydrophobicContact CB-CD2 4.41Å; H20-F23 PolarHBondContact O-N 3.16Å; G21-F23 PolarHBondContact O-N 3.06Å
24V68.4Low73.4Confident9 Ų968.1 Ų68.16%0.05536%0.356CS..SBendtrans-101.594.9-174.7-175.10000110.3H20 G21 E26 L27 M30 W63H20-V24 WeakPolarHBondContact O-CG2 3.28Å; H20-V24 PolarHBondContact O-N 3.21Å; G21-V24 PolarHBondContact O-N 3.22Å; V24-E26 PolarHBondContact O-N 2.99Å; V24-L27 HydrophobicContact CB-CB 4.25Å; V24-L27 HydrophobicContact CB-CD1 3.68Å; V24-L27 HydrophobicContact CG1-CB 4.19Å; V24-L27 HydrophobicContact CG1-CD1 3.51Å; V24-L27 HydrophobicContact CG2-CD1 4.18Å; V24-L27 PolarHBondContact O-N 3.33Å; V24-L27 VanDerWaalsContact O-N 3.17Å; V24-M30 HydrophobicContact CG1-CE 3.28Å; V24-W63 HydrophobicContact CB-CH2 4.2Å; V24-W63 HydrophobicContact CB-CZ2 3.98Å; V24-W63 HydrophobicContact CG1-CD2 4.32Å; V24-W63 HydrophobicContact CG1-CH2 4.27Å; V24-W63 HydrophobicContact CG1-CZ2 3.54Å; V24-W63 HydrophobicContact CG2-CD2 3.88Å; V24-W63 HydrophobicContact CG2-CE3 3.82Å; V24-W63 HydrophobicContact CG2-CH2 3.73Å; V24-W63 HydrophobicContact CG2-CZ2 3.8Å; V24-W63 HydrophobicContact CG2-CZ3 3.74Å
25H70.6Confident73.4Confident152 Ų15270.9 Ų70.970%0.70437%0.371SS*.THydrogen-bonded Turntrans-53.1137170.6-166.968000110.1L27 R59H25-L27 VanDerWaalsContact C-N 3.29Å; H25-L27 PolarHBondContact O-N 3.42Å; H25-R59 PolarHBondContact O-NH2 2.94Å
26E71.4Confident73.2Confident60 Ų6071.6 Ų71.628%0.2837%0.372SS..THydrogen-bonded Turntrans56.928.9-176.6-49-177.4127.400116.6V24 S28 K29 M30 R59V24-E26 PolarHBondContact O-N 2.99Å; E26-S28 PolarHBondContact O-N 3.36Å; E26-K29 HydrophobicContact CB-CB 4.36Å; E26-K29 HydrophobicContact CB-CD 4.27Å; E26-K29 HydrophobicContact CB-CG 4.47Å; E26-K29 HydrophobicContact CG-CD 4.33Å; E26-K29 PolarHBondContact O-N 3.23Å; E26-K29 IonicContact OE1-NZ 3.61Å; E26-K29 PolarHBondContact OE1-NZ 2.95Å; E26-M30 PolarHBondContact O-N 3.21Å; E26-R59 IonicContact OE2-CZ 3.24Å; E26-R59 IonicContact OE2-NH1 3.25Å; E26-R59 PolarHBondContact OE2-NH1 3.34Å; E26-R59 IonicContact OE2-NH2 2.78Å; E26-R59 PolarHBondContact OE2-NH2 3.17Å
27L73.3Confident73.2Confident21 Ų2168.6 Ų68.611%0.1136%0.356CS..Hα-helixtrans-51.3-43.7173.3-164.980.6000112.1V17 V24 H25 K29 M30 R31V17-L27 HydrophobicContact CG1-CD1 3.16Å; V17-L27 HydrophobicContact CG1-CD2 4.09Å; V17-L27 HydrophobicContact CG1-CG 4.07Å; V24-L27 HydrophobicContact CB-CB 4.25Å; V24-L27 HydrophobicContact CB-CD1 3.68Å; V24-L27 HydrophobicContact CG1-CB 4.19Å; V24-L27 HydrophobicContact CG1-CD1 3.51Å; V24-L27 HydrophobicContact CG2-CD1 4.18Å; V24-L27 PolarHBondContact O-N 3.33Å; V24-L27 VanDerWaalsContact O-N 3.17Å; H25-L27 VanDerWaalsContact C-N 3.29Å; H25-L27 PolarHBondContact O-N 3.42Å; L27-K29 PolarHBondContact O-N 3.35Å; L27-M30 HydrophobicContact CD1-CE 4.35Å; L27-M30 PolarHBondContact O-N 2.74Å; L27-R31 WeakPolarHBondContact O-CB 3.11Å; L27-R31 PolarHBondContact O-N 3.14Å
28S74.9Confident73.2Confident90 Ų9069.4 Ų69.463%0.62936%0.36SS*.Hα-helixtrans-55.9-45.9-179.756.30000112.8E26 R31 A32E26-S28 PolarHBondContact O-N 3.36Å; S28-R31 PolarHBondContact O-N 3.49Å; S28-A32 PolarHBondContact O-N 3.1Å
29K76.2Confident73.1Confident139 Ų13972.7 Ų72.760%0.60437%0.365SS*.Hα-helixtrans-66-40.7178.5-63.9-176.6-171.3168.40111.7E26 L27 R31E26-K29 HydrophobicContact CB-CB 4.36Å; E26-K29 HydrophobicContact CB-CD 4.27Å; E26-K29 HydrophobicContact CB-CG 4.47Å; E26-K29 HydrophobicContact CG-CD 4.33Å; E26-K29 PolarHBondContact O-N 3.23Å; E26-K29 IonicContact OE1-NZ 3.61Å; E26-K29 PolarHBondContact OE1-NZ 2.95Å; L27-K29 PolarHBondContact O-N 3.35Å; K29-R31 VanDerWaalsContact C-N 3.31Å
30M72.6Confident73Confident9 Ų973.9 Ų73.94%0.04438%0.375CS..Hα-helixtrans-69.2-31.2176.4-73.9-167.9-80.400113.1V24 E26 L27 P33 F34 T56 R59V24-M30 HydrophobicContact CG1-CE 3.28Å; E26-M30 PolarHBondContact O-N 3.21Å; L27-M30 HydrophobicContact CD1-CE 4.35Å; L27-M30 PolarHBondContact O-N 2.74Å; M30-P33 VanDerWaalsContact O-CD 3.25Å; M30-P33 WeakPolarHBondContact O-CD 3.41Å; M30-P33 VanDerWaalsContact O-CG 3.22Å; M30-P33 WeakPolarHBondContact O-CG 3.1Å; M30-F34 WeakPolarHBondContact O-CD2 3.48Å; M30-T56 HydrophobicContact CB-CG2 4.25Å; M30-T56 VanDerWaalsContact O-CG2 3.24Å; M30-T56 WeakPolarHBondContact O-CG2 3.45Å; M30-R59 HydrophobicContact CE-CG 4.17Å; M30-R59 HydrophobicContact SD-CB 3.69Å; M30-R59 WeakPolarHBondContact SD-CD 3.42Å; M30-R59 HydrophobicContact SD-CG 3.24Å; M30-R59 WeakPolarHBondContact SD-CG 3.27Å; M30-R59 PolarHBondContact SD-NE 2.99Å
31R79.2Confident72.9Confident70 Ų7076.4 Ų76.426%0.26441%0.407SS..Hα-helixtrans-77.8-30.2-178.2-167.9-179162.7158.1-2.3112.3L14 N18 L27 S28 K29 F34 D35L14-R31 HydrophobicContact CD2-CG 3.85Å; N18-R31 PolarHBondContact OD1-NH1 3.15Å; L27-R31 WeakPolarHBondContact O-CB 3.11Å; L27-R31 PolarHBondContact O-N 3.14Å; S28-R31 PolarHBondContact O-N 3.49Å; K29-R31 VanDerWaalsContact C-N 3.31Å; R31-F34 CarbonylContact O-C 3.56Å; R31-F34 WeakPolarHBondContact O-CA 3.22Å; R31-F34 WeakPolarHBondContact O-CB 3.36Å; R31-F34 PolarHBondContact O-N 3.44Å; R31-D35 WeakPolarHBondContact CD-OD2 3.45Å; R31-D35 WeakPolarHBondContact CG-OD2 3.36Å; R31-D35 IonicContact CZ-OD1 3.62Å; R31-D35 IonicContact NE-OD1 2.79Å; R31-D35 PolarHBondContact NE-OD1 3.41Å; R31-D35 IonicContact NE-OD2 3.47Å; R31-D35 PolarHBondContact NE-OD2 3.08Å; R31-D35 IonicContact NH2-OD1 3.73Å; R31-D35 PolarHBondContact NH2-OD1 3.12Å; R31-D35 PolarHBondContact O-N 2.77Å
32A78.9Confident72.7Confident54 Ų5477 Ų7745%0.44641%0.41SS..Hα-helixtrans-43-49.4178.800000114.9S28 F34 D35 A36S28-A32 PolarHBondContact O-N 3.1Å; A32-F34 VanDerWaalsContact C-N 3.31Å; A32-F34 PolarHBondContact O-N 3.27Å; A32-D35 PolarHBondContact O-N 2.82Å; A32-A36 PolarHBondContact O-N 3Å; A32-A36 VanDerWaalsContact O-N 3.11Å
33P72Confident72.5Confident33 Ų3377.3 Ų77.321%0.21440%0.4CS..Hα-helixtrans-61.8-36.5175.422.5-34000112.9M30 A36 L37 T56M30-P33 VanDerWaalsContact O-CD 3.25Å; M30-P33 WeakPolarHBondContact O-CD 3.41Å; M30-P33 VanDerWaalsContact O-CG 3.22Å; M30-P33 WeakPolarHBondContact O-CG 3.1Å; P33-A36 WeakPolarHBondContact O-CB 3.31Å; P33-A36 PolarHBondContact O-N 3.48Å; P33-L37 WeakPolarHBondContact O-CG 3.37Å; P33-L37 PolarHBondContact O-N 2.82Å; P33-T56 HydrophobicContact CG-CG2 3.98Å
34F76.2Confident72.5Confident13 Ų1373.3 Ų73.36%0.05738%0.38CS..Hα-helixtrans-74.6-37.8178.4-61.4-77.9000113.6L10 L14 M30 R31 A32 A36 L37 L38 V52 T56 L60L10-F34 HydrophobicContact CD1-CB 4.4Å; L10-F34 HydrophobicContact CD1-CD1 3.37Å; L10-F34 HydrophobicContact CD1-CE1 3.92Å; L10-F34 HydrophobicContact CD1-CG 4.16Å; L10-F34 HydrophobicContact CD2-CB 4.38Å; L10-F34 HydrophobicContact CD2-CD1 4.08Å; L10-F34 HydrophobicContact CG-CD1 4.34Å; L14-F34 HydrophobicContact CD1-CB 3.97Å; L14-F34 HydrophobicContact CD2-CB 4.08Å; L14-F34 HydrophobicContact CD2-CG 4.39Å; L14-F34 HydrophobicContact CG-CB 4.47Å; M30-F34 WeakPolarHBondContact O-CD2 3.48Å; R31-F34 CarbonylContact O-C 3.56Å; R31-F34 WeakPolarHBondContact O-CA 3.22Å; R31-F34 WeakPolarHBondContact O-CB 3.36Å; R31-F34 PolarHBondContact O-N 3.44Å; A32-F34 VanDerWaalsContact C-N 3.31Å; A32-F34 PolarHBondContact O-N 3.27Å; F34-A36 PolarHBondContact O-N 3.44Å; F34-L37 HydrophobicContact CD1-CD1 3.84Å; F34-L37 HydrophobicContact CE1-CD1 4.48Å; F34-L37 WeakPolarHBondContact O-CA 3.33Å; F34-L37 VanDerWaalsContact O-CB 3.27Å; F34-L37 WeakPolarHBondContact O-CB 3.18Å; F34-L37 PolarHBondContact O-N 3.01Å; F34-L38 PolarHBondContact O-N 3.36Å; F34-L38 VanDerWaalsContact O-N 3.07Å; F34-V52 HydrophobicContact CD1-CG2 4.18Å; F34-V52 HydrophobicContact CE1-CB 4.48Å; F34-V52 HydrophobicContact CE1-CG1 4.21Å; F34-V52 HydrophobicContact CE1-CG2 3.5Å; F34-V52 VanDerWaalsContact CE1-CG2 3.5Å; F34-V52 HydrophobicContact CE2-CG1 4.04Å; F34-V52 HydrophobicContact CZ-CB 4.28Å; F34-V52 HydrophobicContact CZ-CG1 3.55Å; F34-V52 HydrophobicContact CZ-CG2 3.75Å; F34-T56 HydrophobicContact CD2-CG2 4.41Å; F34-T56 HydrophobicContact CE2-CG2 3.48Å; F34-T56 VanDerWaalsContact CE2-CG2 3.48Å; F34-T56 HydrophobicContact CZ-CG2 4.15Å; F34-L60 HydrophobicContact CD2-CD1 4.3Å; F34-L60 HydrophobicContact CE1-CD1 4.14Å; F34-L60 HydrophobicContact CE2-CD1 3.15Å; F34-L60 HydrophobicContact CE2-CG 4.45Å; F34-L60 HydrophobicContact CZ-CD1 3.03Å
35D78.7Confident72.3Confident66 Ų6679.7 Ų79.735%0.35341%0.409SS..Hα-helixtrans-62.4-34.5173.9-70.8-31.4000110.4R31 A32 L37 L38 R39R31-D35 WeakPolarHBondContact CD-OD2 3.45Å; R31-D35 WeakPolarHBondContact CG-OD2 3.36Å; R31-D35 IonicContact CZ-OD1 3.62Å; R31-D35 IonicContact NE-OD1 2.79Å; R31-D35 PolarHBondContact NE-OD1 3.41Å; R31-D35 IonicContact NE-OD2 3.47Å; R31-D35 PolarHBondContact NE-OD2 3.08Å; R31-D35 IonicContact NH2-OD1 3.73Å; R31-D35 PolarHBondContact NH2-OD1 3.12Å; R31-D35 PolarHBondContact O-N 2.77Å; A32-D35 PolarHBondContact O-N 2.82Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.28Å; D35-L38 PolarHBondContact O-N 3.12Å; D35-L38 VanDerWaalsContact O-N 3.13Å; D35-R39 PolarHBondContact O-N 3.27Å
36A75.7Confident71.6Confident57 Ų5778.5 Ų78.547%0.47140%0.404SS..Hα-helixtrans-63.9-31.9171.200000112.9A32 P33 F34 L38 R39A32-A36 PolarHBondContact O-N 3Å; A32-A36 VanDerWaalsContact O-N 3.11Å; P33-A36 WeakPolarHBondContact O-CB 3.31Å; P33-A36 PolarHBondContact O-N 3.48Å; F34-A36 PolarHBondContact O-N 3.44Å; A36-L38 VanDerWaalsContact C-N 3.33Å; A36-R39 WeakPolarHBondContact O-CB 3.3Å
37L70.3Confident70.9Confident21 Ų2176.9 Ų76.911%0.1140%0.399CS..Hα-helixtrans-70.3-29.7172.8-50.6178.7000112.4L10 P33 F34 D35 R39 W44 S47 V52L10-L37 HydrophobicContact CD2-CB 3.96Å; L10-L37 HydrophobicContact CD2-CD1 3.78Å; L10-L37 HydrophobicContact CD2-CG 4.44Å; P33-L37 WeakPolarHBondContact O-CG 3.37Å; P33-L37 PolarHBondContact O-N 2.82Å; F34-L37 HydrophobicContact CD1-CD1 3.84Å; F34-L37 HydrophobicContact CE1-CD1 4.48Å; F34-L37 WeakPolarHBondContact O-CA 3.33Å; F34-L37 VanDerWaalsContact O-CB 3.27Å; F34-L37 WeakPolarHBondContact O-CB 3.18Å; F34-L37 PolarHBondContact O-N 3.01Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.28Å; L37-R39 VanDerWaalsContact C-N 3.33Å; L37-W44 HydrophobicContact CB-CE3 4.29Å; L37-W44 HydrophobicContact CB-CZ3 3.73Å; L37-W44 HydrophobicContact CD1-CH2 4.1Å; L37-W44 HydrophobicContact CD1-CZ3 3.99Å; L37-W44 HydrophobicContact CG-CZ3 4.38Å; L37-S47 VanDerWaalsContact CD2-OG 3.32Å; L37-S47 WeakPolarHBondContact CD2-OG 3.42Å; L37-V52 HydrophobicContact CD1-CG2 4.3Å
38L73.9Confident70.1Confident32 Ų3280.1 Ų80.117%0.16842%0.423CS..Hα-helixtrans-85.7-4.9179.9-68-176.4000113.8Q7 L10 R11 L14 F34 D35 A36 K40Q7-L38 HydrophobicContact CG-CD2 3.47Å; Q7-L38 VanDerWaalsContact CG-CD2 3.47Å; L10-L38 HydrophobicContact CD2-CD2 4.12Å; L10-L38 HydrophobicContact CD2-CG 4.26Å; R11-L38 HydrophobicContact CG-CD1 3.93Å; R11-L38 HydrophobicContact CG-CD2 3.61Å; R11-L38 HydrophobicContact CG-CG 4.45Å; L14-L38 HydrophobicContact CD1-CD1 3.51Å; L14-L38 HydrophobicContact CD1-CG 4.38Å; F34-L38 PolarHBondContact O-N 3.36Å; F34-L38 VanDerWaalsContact O-N 3.07Å; D35-L38 PolarHBondContact O-N 3.12Å; D35-L38 VanDerWaalsContact O-N 3.13Å; A36-L38 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 3.33Å
39R73.9Confident69.1Low161 Ų16183.5 Ų83.561%0.60843%0.429SS*.SBendtrans-62.5128.9-179.1-171.4174.761.686.51.1110.6D35 A36 L37 G41 A42D35-R39 PolarHBondContact O-N 3.27Å; A36-R39 WeakPolarHBondContact O-CB 3.3Å; L37-R39 VanDerWaalsContact C-N 3.33Å; R39-G41 PolarHBondContact O-N 3.23Å; R39-G41 VanDerWaalsContact O-N 3.14Å; R39-A42 HydrophobicContact CB-CB 4.46Å; R39-A42 WeakPolarHBondContact O-CB 3.35Å; R39-A42 PolarHBondContact O-N 2.94Å
40K70.9Confident68.4Low206 Ų20686.3 Ų86.390%0.89644%0.442SS*.THydrogen-bonded Turntrans-53.6119.4175.7-168.6177.6179.4-177.70109.3L38L38-K40 PolarHBondContact O-N 3.33Å
41G66.1Low67.9Low78 Ų7887.6 Ų87.680%0.80446%0.457SS*.THydrogen-bonded Turntrans94.9-4.5-17900000116.1R39 R43R39-G41 PolarHBondContact O-N 3.23Å; R39-G41 VanDerWaalsContact O-N 3.14Å; G41-R43 PolarHBondContact O-N 3.18Å
42A66Low67.4Low33 Ų3386.3 Ų86.327%0.27346%0.457SS..  trans-73.1123.4168.300000109.7R39 W44R39-A42 HydrophobicContact CB-CB 4.46Å; R39-A42 WeakPolarHBondContact O-CB 3.35Å; R39-A42 PolarHBondContact O-N 2.94Å; A42-W44 PolarHBondContact O-N 3.04Å
43R65.2Low67Low165 Ų16587.1 Ų87.162%0.62346%0.458SS*.  trans-75.8118.4174.6-166.8-174.2-49.1-96.5-5108.6G41 E45 Q46 S47G41-R43 PolarHBondContact O-N 3.18Å; R43-E45 HydrophobicContact CG-CB 4.35Å; R43-E45 PolarHBondContact O-N 3.32Å; R43-Q46 HydrophobicContact CB-CB 4.35Å; R43-Q46 PolarHBondContact O-N 2.94Å; R43-S47 PolarHBondContact O-N 3.35Å
44W67.8Low67.1Low71 Ų7190 Ų9027%0.26948%0.479SS..Hα-helixtrans-56.1-35.2-177.4-175.1-102.7000113.3P4 L10 L37 A42 Q46 S47 S48P4-W44 HydrophobicContact CB-CH2 4.13Å; P4-W44 HydrophobicContact CB-CZ2 3.9Å; P4-W44 HydrophobicContact CG-CH2 4.02Å; P4-W44 HydrophobicContact CG-CZ2 3.82Å; P4-W44 WeakPolarHBondContact O-CZ2 3.49Å; L10-W44 HydrophobicContact CB-CH2 4.12Å; L10-W44 HydrophobicContact CD2-CH2 3.69Å; L10-W44 HydrophobicContact CD2-CZ3 3.68Å; L10-W44 HydrophobicContact CG-CH2 4.45Å; L37-W44 HydrophobicContact CB-CE3 4.29Å; L37-W44 HydrophobicContact CB-CZ3 3.73Å; L37-W44 HydrophobicContact CD1-CH2 4.1Å; L37-W44 HydrophobicContact CD1-CZ3 3.99Å; L37-W44 HydrophobicContact CG-CZ3 4.38Å; A42-W44 PolarHBondContact O-N 3.04Å; W44-Q46 VanDerWaalsContact C-N 3.32Å; W44-Q46 PolarHBondContact O-N 3.43Å; W44-S47 PolarHBondContact O-N 3.4Å; W44-S47 PolarHBondContact O-OG 3.31Å; W44-S48 PolarHBondContact O-N 2.87Å
45E64.7Low67.2Low143 Ų14396.2 Ų96.267%0.66850%0.503SS*.Hα-helixtrans-61.2-40.9177-64.6171.4166.900112.1R43 S47 S48R43-E45 HydrophobicContact CG-CB 4.35Å; R43-E45 PolarHBondContact O-N 3.32Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 3.36Å; E45-S48 WeakPolarHBondContact O-CB 3.41Å; E45-S48 PolarHBondContact O-N 2.93Å; E45-S48 PolarHBondContact O-OG 3.49Å
46Q56.5Low66.8Low127 Ų12793.7 Ų93.759%0.59349%0.489SS*.Hα-helixtrans-77-22.2-174-155.9173.723.100112.5R43 W44R43-Q46 HydrophobicContact CB-CB 4.35Å; R43-Q46 PolarHBondContact O-N 2.94Å; W44-Q46 VanDerWaalsContact C-N 3.32Å; W44-Q46 PolarHBondContact O-N 3.43Å
47S56.7Low66.8Low26 Ų2692.6 Ų92.618%0.18248%0.481CS..Hα-helixtrans-83.5-22.9175.7630000113L37 R43 W44 E45 E49 G51L37-S47 VanDerWaalsContact CD2-OG 3.32Å; L37-S47 WeakPolarHBondContact CD2-OG 3.42Å; R43-S47 PolarHBondContact O-N 3.35Å; W44-S47 PolarHBondContact O-N 3.4Å; W44-S47 PolarHBondContact O-OG 3.31Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 3.36Å; S47-E49 PolarHBondContact O-N 3.46Å; S47-G51 PolarHBondContact O-N 2.93Å
48S56.5Low67.3Low88 Ų8896.4 Ų96.462%0.61550%0.501SS*.Hα-helixtrans-61.5-34.4168.779.80000111.8W44 E45 G51W44-S48 PolarHBondContact O-N 2.87Å; E45-S48 WeakPolarHBondContact O-CB 3.41Å; E45-S48 PolarHBondContact O-N 2.93Å; E45-S48 PolarHBondContact O-OG 3.49Å; S48-G51 PolarHBondContact O-N 2.87Å
49E53.8Low67.5Low162 Ų16296.7 Ų96.776%0.75750%0.5SS*.Hα-helixtrans-72.7-39.8-176.9-165.4178.7-170.500112.7S47 G51S47-E49 PolarHBondContact O-N 3.46Å; E49-G51 VanDerWaalsContact C-N 3.32Å
50K60.8Low67.6Low198 Ų19889.8 Ų89.886%0.86148%0.475SS*.Hα-helixtrans-80.1-18.4170.9-67.7-165.2178-177.50113.1
51G62.6Low68Low36 Ų3684.2 Ų84.237%0.37145%0.451SS..  trans63155.2171.900000114.2S47 S48 E49S47-G51 PolarHBondContact O-N 2.93Å; S48-G51 PolarHBondContact O-N 2.87Å; E49-G51 VanDerWaalsContact C-N 3.32Å
52V68.4Low68.7Low42 Ų4289.7 Ų89.726%0.25545%0.447SS..SBendtrans-65.4130.8161.7177.20000107.1F34 L37 S54 T56 A57F34-V52 HydrophobicContact CD1-CG2 4.18Å; F34-V52 HydrophobicContact CE1-CB 4.48Å; F34-V52 HydrophobicContact CE1-CG1 4.21Å; F34-V52 HydrophobicContact CE1-CG2 3.5Å; F34-V52 VanDerWaalsContact CE1-CG2 3.5Å; F34-V52 HydrophobicContact CE2-CG1 4.04Å; F34-V52 HydrophobicContact CZ-CB 4.28Å; F34-V52 HydrophobicContact CZ-CG1 3.55Å; F34-V52 HydrophobicContact CZ-CG2 3.75Å; L37-V52 HydrophobicContact CD1-CG2 4.3Å; V52-S54 PolarHBondContact O-N 3.3Å; V52-T56 HydrophobicContact CG1-CG2 3.67Å; V52-A57 HydrophobicContact CG1-CB 4.34Å
53P69.9Low69.4Low72 Ų7291.5 Ų91.547%0.46845%0.447SS..  trans-51.9135.3177.3-26.933.8000111.2Y55 T56 A57P53-Y55 PolarHBondContact O-N 3.21Å; P53-T56 WeakPolarHBondContact O-CA 3.45Å; P53-T56 WeakPolarHBondContact O-CB 3.18Å; P53-T56 PolarHBondContact O-N 2.97Å; P53-A57 PolarHBondContact O-N 3.47Å
54S75.3Confident70.1Confident93 Ų9385.6 Ų85.665%0.6543%0.428SS*.Hα-helixtrans-53.3-36.1-174.2-58.30000113.2V52 T56 A57 N58V52-S54 PolarHBondContact O-N 3.3Å; S54-T56 PolarHBondContact O-N 3.34Å; S54-A57 PolarHBondContact O-N 3.5Å; S54-N58 VanDerWaalsContact O-CB 3.23Å; S54-N58 WeakPolarHBondContact O-CB 3.35Å; S54-N58 PolarHBondContact O-N 2.73Å; S54-N58 PolarHBondContact O-ND2 3.22Å
55Y76.8Confident70.7Confident144 Ų14486.8 Ų86.857%0.56544%0.443SS*.Hα-helixtrans-59.5-45.3174.5173.8-95.7000112.3P53 N58 R59P53-Y55 PolarHBondContact O-N 3.21Å; Y55-N58 PolarHBondContact O-N 2.99Å; Y55-R59 VanDerWaalsContact O-CB 3.28Å; Y55-R59 WeakPolarHBondContact O-CB 3.19Å; Y55-R59 PolarHBondContact O-N 3.37Å; Y55-R59 WeakPolarHBondContact OH-CD 3.39Å; Y55-R59 PolarHBondContact OH-NH1 3.45Å
56T71.8Confident71.4Confident12 Ų1282.5 Ų82.57%0.07443%0.427CS..Hα-helixtrans-66.1-44.5177.9-580000111.2M30 P33 F34 V52 P53 S54 N58 R59 L60M30-T56 HydrophobicContact CB-CG2 4.25Å; M30-T56 VanDerWaalsContact O-CG2 3.24Å; M30-T56 WeakPolarHBondContact O-CG2 3.45Å; P33-T56 HydrophobicContact CG-CG2 3.98Å; F34-T56 HydrophobicContact CD2-CG2 4.41Å; F34-T56 HydrophobicContact CE2-CG2 3.48Å; F34-T56 VanDerWaalsContact CE2-CG2 3.48Å; F34-T56 HydrophobicContact CZ-CG2 4.15Å; V52-T56 HydrophobicContact CG1-CG2 3.67Å; P53-T56 WeakPolarHBondContact O-CA 3.45Å; P53-T56 WeakPolarHBondContact O-CB 3.18Å; P53-T56 PolarHBondContact O-N 2.97Å; S54-T56 PolarHBondContact O-N 3.34Å; T56-N58 PolarHBondContact O-N 3.39Å; T56-R59 PolarHBondContact O-N 2.92Å; T56-L60 HydrophobicContact CG2-CD1 4.24Å; T56-L60 WeakPolarHBondContact O-CB 3.48Å; T56-L60 PolarHBondContact O-N 3.39Å
57A74.1Confident72.5Confident35 Ų3577.7 Ų77.729%0.28941%0.405SS..Hα-helixtrans-60.8-45.317600000111.5V52 P53 S54 R59 L60 K61V52-A57 HydrophobicContact CG1-CB 4.34Å; P53-A57 PolarHBondContact O-N 3.47Å; S54-A57 PolarHBondContact O-N 3.5Å; A57-R59 PolarHBondContact O-N 3.18Å; A57-L60 PolarHBondContact O-N 3.36Å; A57-K61 WeakPolarHBondContact O-CG 3.32Å; A57-K61 PolarHBondContact O-N 3.21Å
58N80.7Confident73.6Confident101 Ų10182.9 Ų82.954%0.5443%0.43SS..Hα-helixtrans-65-39.4177.3-72.4-16.5000112S54 Y55 T56 L60 K61 R62S54-N58 VanDerWaalsContact O-CB 3.23Å; S54-N58 WeakPolarHBondContact O-CB 3.35Å; S54-N58 PolarHBondContact O-N 2.73Å; S54-N58 PolarHBondContact O-ND2 3.22Å; Y55-N58 PolarHBondContact O-N 2.99Å; T56-N58 PolarHBondContact O-N 3.39Å; N58-L60 VanDerWaalsContact C-N 3.34Å; N58-K61 PolarHBondContact O-N 3.37Å; N58-R62 WeakPolarHBondContact O-CG 3.49Å; N58-R62 PolarHBondContact O-N 3.07Å
59R79Confident74.8Confident38 Ų3883.1 Ų83.114%0.14343%0.431CS..Hα-helixtrans-64.6-42.6177.3-163.4158.6165.5-168.82.5110.6H25 E26 M30 Y55 T56 A57 R62 W63H25-R59 PolarHBondContact O-NH2 2.94Å; E26-R59 IonicContact OE2-CZ 3.24Å; E26-R59 IonicContact OE2-NH1 3.25Å; E26-R59 PolarHBondContact OE2-NH1 3.34Å; E26-R59 IonicContact OE2-NH2 2.78Å; E26-R59 PolarHBondContact OE2-NH2 3.17Å; M30-R59 HydrophobicContact CE-CG 4.17Å; M30-R59 HydrophobicContact SD-CB 3.69Å; M30-R59 WeakPolarHBondContact SD-CD 3.42Å; M30-R59 HydrophobicContact SD-CG 3.24Å; M30-R59 WeakPolarHBondContact SD-CG 3.27Å; M30-R59 PolarHBondContact SD-NE 2.99Å; Y55-R59 VanDerWaalsContact O-CB 3.28Å; Y55-R59 WeakPolarHBondContact O-CB 3.19Å; Y55-R59 PolarHBondContact O-N 3.37Å; Y55-R59 WeakPolarHBondContact OH-CD 3.39Å; Y55-R59 PolarHBondContact OH-NH1 3.45Å; T56-R59 PolarHBondContact O-N 2.92Å; A57-R59 PolarHBondContact O-N 3.18Å; R59-R62 WeakPolarHBondContact O-CB 3.23Å; R59-R62 PolarHBondContact O-N 3.24Å; R59-W63 PolarHBondContact O-N 3.13Å
60L76.1Confident76Confident16 Ų1682.1 Ų82.18%0.08442%0.422CS..Hα-helixtrans-62.8-42.5173.8-84166.3000114F13 V17 F34 T56 A57 N58 R62 W63 D64F13-L60 HydrophobicContact CE1-CD1 4.37Å; F13-L60 HydrophobicContact CE1-CD2 3.36Å; F13-L60 HydrophobicContact CE1-CG 4.44Å; F13-L60 HydrophobicContact CZ-CD2 3.46Å; F13-L60 VanDerWaalsContact CZ-CD2 3.46Å; V17-L60 HydrophobicContact CG2-CD2 4.21Å; F34-L60 HydrophobicContact CD2-CD1 4.3Å; F34-L60 HydrophobicContact CE1-CD1 4.14Å; F34-L60 HydrophobicContact CE2-CD1 3.15Å; F34-L60 HydrophobicContact CE2-CG 4.45Å; F34-L60 HydrophobicContact CZ-CD1 3.03Å; T56-L60 HydrophobicContact CG2-CD1 4.24Å; T56-L60 WeakPolarHBondContact O-CB 3.48Å; T56-L60 PolarHBondContact O-N 3.39Å; A57-L60 PolarHBondContact O-N 3.36Å; N58-L60 VanDerWaalsContact C-N 3.34Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 2.78Å; L60-W63 PolarHBondContact O-N 3.21Å; L60-D64 WeakPolarHBondContact O-CB 3.11Å; L60-D64 PolarHBondContact O-N 3.38Å
61K80Confident76.9Confident89 Ų8980.3 Ų80.339%0.38742%0.421SS..Hα-helixtrans-57.9-42.2173.1-70.4-82-173.1150.60111.7M1 A57 N58 D64 T65M1-K61 HydrophobicContact CB-CD 4Å; M1-K61 HydrophobicContact CG-CD 3.95Å; M1-K61 PolarHBondContact O-NZ 2.97Å; M1-K61 HydrophobicContact SD-CD 4.27Å; A57-K61 WeakPolarHBondContact O-CG 3.32Å; A57-K61 PolarHBondContact O-N 3.21Å; N58-K61 PolarHBondContact O-N 3.37Å; K61-D64 PolarHBondContact O-N 3.14Å; K61-T65 PolarHBondContact O-N 2.99Å; K61-T65 PolarHBondContact O-OG1 2.88Å; K61-T65 VanDerWaalsContact O-OG1 3.08Å
62R79.4Confident77.4Confident192 Ų19283.4 Ų83.473%0.72543%0.425SS*.Hα-helixtrans-63-45.7176.1-73.317870.3166.93110.9N58 R59 L60 D64 T65 T66N58-R62 WeakPolarHBondContact O-CG 3.49Å; N58-R62 PolarHBondContact O-N 3.07Å; R59-R62 WeakPolarHBondContact O-CB 3.23Å; R59-R62 PolarHBondContact O-N 3.24Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 2.78Å; R62-D64 PolarHBondContact O-N 3.25Å; R62-T65 PolarHBondContact O-N 3.42Å; R62-T66 VanDerWaalsContact O-CB 3.31Å; R62-T66 WeakPolarHBondContact O-CB 3.28Å; R62-T66 PolarHBondContact O-N 3.3Å; R62-T66 PolarHBondContact O-OG1 2.86Å
63W80.7Confident77.7Confident71 Ų7188.3 Ų88.327%0.26945%0.448SS..Hα-helixtrans-62.6-41176.5-72.6112.4000112.6V24 R59 L60 T66 L67V24-W63 HydrophobicContact CB-CH2 4.2Å; V24-W63 HydrophobicContact CB-CZ2 3.98Å; V24-W63 HydrophobicContact CG1-CD2 4.32Å; V24-W63 HydrophobicContact CG1-CH2 4.27Å; V24-W63 HydrophobicContact CG1-CZ2 3.54Å; V24-W63 HydrophobicContact CG2-CD2 3.88Å; V24-W63 HydrophobicContact CG2-CE3 3.82Å; V24-W63 HydrophobicContact CG2-CH2 3.73Å; V24-W63 HydrophobicContact CG2-CZ2 3.8Å; V24-W63 HydrophobicContact CG2-CZ3 3.74Å; R59-W63 PolarHBondContact O-N 3.13Å; L60-W63 PolarHBondContact O-N 3.21Å; W63-T66 PolarHBondContact O-N 2.83Å; W63-L67 WeakPolarHBondContact O-CB 3.24Å; W63-L67 VanDerWaalsContact O-CG 3.22Å; W63-L67 WeakPolarHBondContact O-CG 3.44Å; W63-L67 PolarHBondContact O-N 3.31Å
64D80.2Confident78Confident42 Ų4291.3 Ų91.323%0.22547%0.465CS..Hα-helixtrans-58-50.7175-170.643000110.8M1 L60 K61 R62 T66 L67 L68M1-D64 HydrophobicContact CG-CB 4.37Å; M1-D64 WeakPolarHBondContact CG-OD2 3.24Å; M1-D64 HydrophobicContact SD-CB 4.07Å; L60-D64 WeakPolarHBondContact O-CB 3.11Å; L60-D64 PolarHBondContact O-N 3.38Å; K61-D64 PolarHBondContact O-N 3.14Å; R62-D64 PolarHBondContact O-N 3.25Å; D64-T66 PolarHBondContact O-N 3.49Å; D64-L67 PolarHBondContact O-N 3.49Å; D64-L68 WeakPolarHBondContact O-CB 3.25Å; D64-L68 VanDerWaalsContact O-CG 3.28Å; D64-L68 WeakPolarHBondContact O-CG 3.22Å; D64-L68 PolarHBondContact O-N 3.39Å
65T80.7Confident78.1Confident95 Ų9593.8 Ų93.858%0.58347%0.466SS*.Hα-helixtrans-62.2-41.6175.5-55.50000112.4K61 R62 L68 S69K61-T65 PolarHBondContact O-N 2.99Å; K61-T65 PolarHBondContact O-OG1 2.88Å; K61-T65 VanDerWaalsContact O-OG1 3.08Å; R62-T65 PolarHBondContact O-N 3.42Å; T65-L68 PolarHBondContact O-N 2.99Å; T65-S69 PolarHBondContact O-N 2.64Å; T65-S69 VanDerWaalsContact O-N 3.16Å
66T80.1Confident78Confident53 Ų5395.8 Ų95.833%0.32547%0.474SS..Hα-helixtrans-63-47.6177.8-69.30000110.6R62 W63 D64 L68 S69 Y70R62-T66 VanDerWaalsContact O-CB 3.31Å; R62-T66 WeakPolarHBondContact O-CB 3.28Å; R62-T66 PolarHBondContact O-N 3.3Å; R62-T66 PolarHBondContact O-OG1 2.86Å; W63-T66 PolarHBondContact O-N 2.83Å; D64-T66 PolarHBondContact O-N 3.49Å; T66-L68 PolarHBondContact O-N 3.44Å; T66-S69 PolarHBondContact O-N 3.26Å; T66-S69 VanDerWaalsContact O-N 3.13Å; T66-S69 PolarHBondContact O-OG 3.04Å; T66-Y70 HydrophobicContact CG2-CD2 4.3Å; T66-Y70 HydrophobicContact CG2-CE2 3.62Å; T66-Y70 WeakPolarHBondContact O-CD2 3.49Å
67L78.2Confident77.8Confident26 Ų26104.4 Ų104.414%0.13651%0.505CS..Hα-helixtrans-61.6-44.1177.2-70.4171.4000111W63 D64 S69 Y70 F72W63-L67 WeakPolarHBondContact O-CB 3.24Å; W63-L67 VanDerWaalsContact O-CG 3.22Å; W63-L67 WeakPolarHBondContact O-CG 3.44Å; W63-L67 PolarHBondContact O-N 3.31Å; D64-L67 PolarHBondContact O-N 3.49Å; L67-S69 PolarHBondContact O-N 3.41Å; L67-S69 VanDerWaalsContact O-N 3.15Å; L67-Y70 PolarHBondContact O-N 3.49Å; L67-Y70 VanDerWaalsContact O-N 3.07Å; L67-F72 HydrophobicContact CB-CE2 4.49Å; L67-F72 HydrophobicContact CB-CZ 4.4Å; L67-F72 HydrophobicContact CD2-CZ 3.79Å; L67-F72 WeakPolarHBondContact O-CE2 3.37Å
68L80Confident77.4Confident136 Ų136108.6 Ų108.671%0.71252%0.517SS*.Hα-helixtrans-61.7-22.2176.6-73.8169.3000113.8D64 T65 T66D64-L68 WeakPolarHBondContact O-CB 3.25Å; D64-L68 VanDerWaalsContact O-CG 3.28Å; D64-L68 WeakPolarHBondContact O-CG 3.22Å; D64-L68 PolarHBondContact O-N 3.39Å; T65-L68 PolarHBondContact O-N 2.99Å; T66-L68 PolarHBondContact O-N 3.44Å
69S83.2Confident76.7Confident92 Ų92108 Ų10864%0.64352%0.517SS*.Hα-helixtrans-81.5-16.5176.972.80000114.2T65 T66 L67T65-S69 PolarHBondContact O-N 2.64Å; T65-S69 VanDerWaalsContact O-N 3.16Å; T66-S69 PolarHBondContact O-N 3.26Å; T66-S69 VanDerWaalsContact O-N 3.13Å; T66-S69 PolarHBondContact O-OG 3.04Å; L67-S69 PolarHBondContact O-N 3.41Å; L67-S69 VanDerWaalsContact O-N 3.15Å
70Y77.3Confident75.9Confident142 Ų142113.7 Ų113.756%0.55755%0.546SS*.SBendtrans-85.6136.8177.1-74.2-76.8000110.9T66 L67 F72T66-Y70 HydrophobicContact CG2-CD2 4.3Å; T66-Y70 HydrophobicContact CG2-CE2 3.62Å; T66-Y70 WeakPolarHBondContact O-CD2 3.49Å; L67-Y70 PolarHBondContact O-N 3.49Å; L67-Y70 VanDerWaalsContact O-N 3.07Å; Y70-F72 HydrophobicContact CD2-CZ 4.44Å; Y70-F72 HydrophobicContact CG-CZ 4.33Å; Y70-F72 PolarHBondContact O-N 2.84Å
71D80.3Confident75.1Confident159 Ų159120.5 Ų120.585%0.8558%0.582SS**  trans-85.1107.7167.5-168.311000108.5
72F74.2Confident74.1Confident101 Ų101118.5 Ų118.544%0.44358%0.579SS.*  trans-94.2121.5-177.8-62.4-74.3000110.6L67 Y70 V74L67-F72 HydrophobicContact CB-CE2 4.49Å; L67-F72 HydrophobicContact CB-CZ 4.4Å; L67-F72 HydrophobicContact CD2-CZ 3.79Å; L67-F72 WeakPolarHBondContact O-CE2 3.37Å; Y70-F72 HydrophobicContact CD2-CZ 4.44Å; Y70-F72 HydrophobicContact CG-CZ 4.33Å; Y70-F72 PolarHBondContact O-N 2.84Å; F72-V74 HydrophobicContact CB-CG2 4.47Å; F72-V74 PolarHBondContact O-N 3.18Å
73I74.1Confident73.3Confident145 Ų145111.4 Ų111.474%0.74457%0.566SS**  trans-80.2101.6163.1-55.2178000107.1E75I73-E75 HydrophobicContact CG2-CG 3.9Å; I73-E75 PolarHBondContact O-N 2.83Å
74V75.7Confident72.5Confident136 Ų136118.3 Ų118.382%0.82459%0.592SS**  trans-78.591.2176.2-175.30000108.5F72F72-V74 HydrophobicContact CB-CG2 4.47Å; F72-V74 PolarHBondContact O-N 3.18Å
75E77.2Confident71.9Confident144 Ų144119.3 Ų119.367%0.67361%0.606SS**  trans-79.5125.2174.6-65.4-176.4172.900110.6I73 R77I73-E75 HydrophobicContact CG2-CG 3.9Å; I73-E75 PolarHBondContact O-N 2.83Å; E75-R77 PolarHBondContact O-N 3.19Å; E75-R77 VanDerWaalsContact O-N 3.12Å
76Y75.2Confident71.3Confident187 Ų187116.5 Ų116.573%0.73359%0.592SS**  trans-69.4108.4169.4177.8-100.8000109.3F78Y76-F78 HydrophobicContact CE1-CB 4.2Å; Y76-F78 HydrophobicContact CE1-CD2 4.05Å
77R67.9Low70.9Confident192 Ų192116.8 Ų116.873%0.72560%0.6SS**  trans-86.1112.1169.2-70.6-160.8-177.5-175.73.7109.9E75 T79E75-R77 PolarHBondContact O-N 3.19Å; E75-R77 VanDerWaalsContact O-N 3.12Å; R77-T79 PolarHBondContact O-N 3.23Å
78F66.1Low70.4Confident123 Ų123120.9 Ų120.954%0.53962%0.622SS.*  trans-58.7134.7171.6-170.4-108.8000110.1Y76 E80 N81Y76-F78 HydrophobicContact CE1-CB 4.2Å; Y76-F78 HydrophobicContact CE1-CD2 4.05Å; F78-E80 HydrophobicContact CD1-CB 3.65Å; F78-E80 HydrophobicContact CE1-CB 3.76Å; F78-E80 PolarHBondContact O-N 3.31Å; F78-N81 PolarHBondContact O-N 3.29Å
79T65Low70Confident89 Ų89118.3 Ų118.355%0.54662%0.615SS.*G310 helixtrans-60.8-17.6-165.749.30000114.6R77 N81 S82R77-T79 PolarHBondContact O-N 3.23Å; T79-N81 VanDerWaalsContact C-N 3.33Å; T79-N81 PolarHBondContact O-N 2.8Å; T79-S82 PolarHBondContact O-N 3.18Å
80E61.4Low69.5Low158 Ų158122.9 Ų122.974%0.73862%0.618SS**G310 helixtrans-66.5-32-178.1-153.2163.6-149.100112.8F78F78-E80 HydrophobicContact CD1-CB 3.65Å; F78-E80 HydrophobicContact CE1-CB 3.76Å; F78-E80 PolarHBondContact O-N 3.31Å
81N59.4Low69.1Low159 Ų159121.7 Ų121.785%0.8562%0.621SS**G310 helixtrans-87.3-9.5175.9-9811.6000114.3F78 T79 G83F78-N81 PolarHBondContact O-N 3.29Å; T79-N81 VanDerWaalsContact C-N 3.33Å; T79-N81 PolarHBondContact O-N 2.8Å; N81-G83 VanDerWaalsContact C-N 3.27Å; N81-G83 PolarHBondContact O-N 3.36Å
82S59Low68.5Low46 Ų46119.2 Ų119.232%0.32261%0.611SS.*  trans-96.349.1176.5-66.40000110.5T79 R84 A85 A86T79-S82 PolarHBondContact O-N 3.18Å; S82-R84 PolarHBondContact O-N 3.04Å; S82-A85 PolarHBondContact O-N 2.67Å; S82-A86 PolarHBondContact O-N 3.41Å
83G63.5Low68Low43 Ų43121 Ų12144%0.44363%0.625SS.*Hα-helixtrans-51.7-28.7-172.100000114.5N81 A87N81-G83 VanDerWaalsContact C-N 3.27Å; N81-G83 PolarHBondContact O-N 3.36Å; G83-A87 WeakPolarHBondContact O-CB 3.36Å; G83-A87 PolarHBondContact O-N 2.86Å
84R64.5Low67.4Low216 Ų216122.5 Ų122.582%0.81563%0.626SS**Hα-helixtrans-66.3-44.8174.6-66.1-178.666.7-174.90.1113S82 L88S82-R84 PolarHBondContact O-N 3.04Å; R84-L88 VanDerWaalsContact O-CG 3.3Å; R84-L88 WeakPolarHBondContact O-CG 3.32Å; R84-L88 PolarHBondContact O-N 3.31Å
85A67Low66.6Low63 Ų63121.8 Ų121.852%0.52161%0.614SS.*Hα-helixtrans-71.1-43-179.400000111S82 A87 L88 S89S82-A85 PolarHBondContact O-N 2.67Å; A85-A87 PolarHBondContact O-N 2.92Å; A85-L88 PolarHBondContact O-N 3.47Å; A85-S89 WeakPolarHBondContact O-CB 3.45Å; A85-S89 PolarHBondContact O-N 3.29Å
86A67.2Low65.5Low36 Ų36120.3 Ų120.330%0.29862%0.615SS.*Hα-helixtrans-61.6-42.1174.900000111.9S82 S89 R90S82-A86 PolarHBondContact O-N 3.41Å; A86-S89 PolarHBondContact O-N 3.32Å; A86-R90 WeakPolarHBondContact O-CB 3.35Å; A86-R90 VanDerWaalsContact O-CG 3.27Å; A86-R90 WeakPolarHBondContact O-CG 3.44Å; A86-R90 PolarHBondContact O-N 3.35Å; A86-R90 VanDerWaalsContact O-N 3.08Å
87A71.8Confident64.4Low59 Ų59117.1 Ų117.149%0.48862%0.615SS.*Hα-helixtrans-63.7-42.5176.500000112.6G83 A85 R90 L91G83-A87 WeakPolarHBondContact O-CB 3.36Å; G83-A87 PolarHBondContact O-N 2.86Å; A85-A87 PolarHBondContact O-N 2.92Å; A87-R90 PolarHBondContact O-N 3.44Å; A87-L91 PolarHBondContact O-N 3.39Å
88L68.9Low63.5Low113 Ų113111.8 Ų111.859%0.59261%0.612SS**Hα-helixtrans-68.4-40.4177.8-70.1174.8000112.4R84 A85 R90 L91 V92R84-L88 VanDerWaalsContact O-CG 3.3Å; R84-L88 WeakPolarHBondContact O-CG 3.32Å; R84-L88 PolarHBondContact O-N 3.31Å; A85-L88 PolarHBondContact O-N 3.47Å; L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 2.87Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 2.78Å; L88-L91 VanDerWaalsContact O-N 3.12Å; L88-V92 PolarHBondContact O-N 3.11Å
89S72Confident62.6Low82 Ų82114.3 Ų114.357%0.57363%0.625SS**Hα-helixtrans-61.8-38.8175.7-168.60000111.6A85 A86 L91A85-S89 WeakPolarHBondContact O-CB 3.45Å; A85-S89 PolarHBondContact O-N 3.29Å; A86-S89 PolarHBondContact O-N 3.32Å; S89-L91 VanDerWaalsContact C-N 3.33Å
90R71.3Confident61.7Low187 Ų187118.6 Ų118.671%0.70664%0.639SS**Hα-helixtrans-72.1-25.7175.3-70173.1-175.9-104.84.6113.2A86 A87 L88A86-R90 WeakPolarHBondContact O-CB 3.35Å; A86-R90 VanDerWaalsContact O-CG 3.27Å; A86-R90 WeakPolarHBondContact O-CG 3.44Å; A86-R90 PolarHBondContact O-N 3.35Å; A86-R90 VanDerWaalsContact O-N 3.08Å; A87-R90 PolarHBondContact O-N 3.44Å; L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 2.87Å
91L69.3Low60.8Low117 Ų117118.5 Ų118.561%0.61364%0.643SS**Hα-helixtrans-72.6-36.1177.5-172.863.9000111.3A87 L88 S89 D93 K94A87-L91 PolarHBondContact O-N 3.39Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 2.78Å; L88-L91 VanDerWaalsContact O-N 3.12Å; S89-L91 VanDerWaalsContact C-N 3.33Å; L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.43Å; L91-K94 PolarHBondContact O-N 3.22Å
92V67.1Low60.3Low107 Ų107117.6 Ų117.665%0.64864%0.638SS**Hα-helixtrans-63.1-39.3178.1173.60000111.4L88 K94 H95L88-V92 PolarHBondContact O-N 3.11Å; V92-K94 PolarHBondContact O-N 3.4Å; V92-K94 VanDerWaalsContact O-N 3.08Å; V92-H95 PolarHBondContact O-N 3.04Å
93D65.3Low59.8Low139 Ų139121 Ų12174%0.74366%0.657SS**THydrogen-bonded Turntrans-59.4-22.5177.2-86.8-3.1000113.8L91L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.43Å
94K61.2Low59Low176 Ų176126.4 Ų126.477%0.76567%0.674SS**THydrogen-bonded Turntrans-84.7-11.1178.1-68.6-169.6178-174.60113.9L91 V92 T96L91-K94 PolarHBondContact O-N 3.22Å; V92-K94 PolarHBondContact O-N 3.4Å; V92-K94 VanDerWaalsContact O-N 3.08Å; K94-T96 VanDerWaalsContact C-N 3.29Å; K94-T96 PolarHBondContact O-N 3.41Å; K94-T96 VanDerWaalsContact O-N 3.13Å
95H58.9Low58.1Low122 Ų122121.4 Ų121.457%0.56567%0.667SS**SBendtrans-84.684.6166.7-176.748.1000107.7V92 V97V92-H95 PolarHBondContact O-N 3.04Å; H95-V97 PolarHBondContact O-N 3.42Å
96T52.9Low57.3Low113 Ų113122.6 Ų122.669%0.69368%0.677SS**  trans-53110.9160.450.30000106.5K94 A98K94-T96 VanDerWaalsContact C-N 3.29Å; K94-T96 PolarHBondContact O-N 3.41Å; K94-T96 VanDerWaalsContact O-N 3.13Å; T96-A98 PolarHBondContact O-N 3.43Å
97V52.4Low56.6Low120 Ų120126 Ų12673%0.72769%0.694SS**  trans-64.581.1165.5-179.10000105H95 E99H95-V97 PolarHBondContact O-N 3.42Å; V97-E99 PolarHBondContact O-N 2.84Å; V97-E99 VanDerWaalsContact O-N 3.14Å
98A49.8Very low55.6Low80 Ų80130.2 Ų130.266%0.66171%0.708SS**  trans-61.9114.5162.500000104.3T96 E100T96-A98 PolarHBondContact O-N 3.43Å; A98-E100 PolarHBondContact O-N 3.45Å
99E46.7Very low54.9Low176 Ų176126.3 Ų126.382%0.82269%0.692SS**SBendtrans-46.6139.9174.7-67.1-173.9131.800109.1V97V97-E99 PolarHBondContact O-N 2.84Å; V97-E99 VanDerWaalsContact O-N 3.14Å
100E46.9Very low54.2Low178 Ų178129.5 Ų129.583%0.83270%0.698SS**SBendtrans88.6100.4170.5-46.8-175.5-179.600116.2A98 L102A98-E100 PolarHBondContact O-N 3.45Å; E100-L102 PolarHBondContact O-N 2.81Å
101D41.4Very low53.5Low156 Ų156127.7 Ų127.783%0.83470%0.697SS**  trans4966147.9-65.6-21.7000118.4V103D101-V103 VanDerWaalsContact C-N 3.27Å; D101-V103 PolarHBondContact O-N 2.97Å
102L49.2Very low52.9Low141 Ų141125.8 Ų125.874%0.73869%0.688SS**  trans-69.589.2158.3-175.268000109.4E100 I104E100-L102 PolarHBondContact O-N 2.81Å; L102-I104 PolarHBondContact O-N 2.83Å
103V47.8Very low52.6Low117 Ų117125.3 Ų125.371%0.70968%0.684SS**  trans-51.9109162.61750000106.9D101 V105D101-V103 VanDerWaalsContact C-N 3.27Å; D101-V103 PolarHBondContact O-N 2.97Å; V103-V105 PolarHBondContact O-N 3.07Å
104I48.3Very low52.5Low157 Ų157127.5 Ų127.581%0.80568%0.682SS**  trans-54.1106.5172.7-62.5171.4000105.4L102 A106L102-I104 PolarHBondContact O-N 2.83Å; I104-A106 PolarHBondContact O-N 2.75Å
105V44.3Very low52.7Low110 Ų110126 Ų12667%0.66767%0.672SS**  trans-50.4107.1179.1174.60000106.3V103 V107V103-V105 PolarHBondContact O-N 3.07Å; V105-V107 PolarHBondContact O-N 3.35Å
106A51Low52.8Low88 Ų88123.6 Ų123.673%0.72767%0.668SS**  trans-58.297.9161.100000104.2I104 N108I104-A106 PolarHBondContact O-N 2.75Å; A106-N108 PolarHBondContact O-N 2.79Å
107V53.1Low53.4Low108 Ų108123.3 Ų123.366%0.65566%0.662SS**  trans-58.9112.4175.8178.50000104.5V105 A109V105-V107 PolarHBondContact O-N 3.35Å; V107-A109 HydrophobicContact CG1-CB 4.11Å; V107-A109 PolarHBondContact O-N 2.93Å
108N50Low54.2Low147 Ų147120.5 Ų120.579%0.78665%0.647SS**  trans-64.571.3170.6-106.7-14.1000107.7A106 E110A106-N108 PolarHBondContact O-N 2.79Å; N108-E110 PolarHBondContact O-N 2.69Å
109A54.4Low55.2Low31 Ų31121.1 Ų121.126%0.25664%0.64SS.*THydrogen-bonded Turntrans-8516.4-176.700000111.6V107 H111 D112 V113V107-A109 HydrophobicContact CG1-CB 4.11Å; V107-A109 PolarHBondContact O-N 2.93Å; A109-H111 PolarHBondContact O-N 3.3Å; A109-H111 VanDerWaalsContact O-N 3.15Å; A109-D112 PolarHBondContact O-N 2.73Å; A109-V113 HydrophobicContact CB-CG2 4.16Å; A109-V113 WeakPolarHBondContact O-CB 3.42Å; A109-V113 VanDerWaalsContact O-CG2 3.24Å; A109-V113 WeakPolarHBondContact O-CG2 3.46Å; A109-V113 PolarHBondContact O-N 3.36Å
110E57Low56.3Low150 Ų150116 Ų11670%0.70162%0.623SS**Hα-helixtrans-57.2-29.6175.8-94.5-166.6149.500112.1N108 R114N108-E110 PolarHBondContact O-N 2.69Å; E110-R114 WeakPolarHBondContact O-CG 3.24Å
111H57.3Low57.1Low149 Ų149112.3 Ų112.369%0.6961%0.608SS**Hα-helixtrans-85.3-34.5176.3-64.9-62.1000113.6A109 R115A109-H111 PolarHBondContact O-N 3.3Å; A109-H111 VanDerWaalsContact O-N 3.15Å; H111-R115 PolarHBondContact O-N 3.42Å
112D55.6Low58.3Low77 Ų77112.2 Ų112.241%0.41260%0.602SS.*Hα-helixtrans-76.2-35.6179.3-77.6-38.6000112.6A109 R114 R115 C116A109-D112 PolarHBondContact O-N 2.73Å; D112-R114 VanDerWaalsContact C-N 3.31Å; D112-R114 PolarHBondContact O-N 3.08Å; D112-R115 PolarHBondContact O-N 3.48Å; D112-R115 IonicContact OD1-CZ 3.39Å; D112-R115 IonicContact OD1-NH1 2.75Å; D112-R115 PolarHBondContact OD1-NH1 2.9Å; D112-R115 IonicContact OD1-NH2 2.83Å; D112-C116 PolarHBondContact O-N 3.07Å
113V61.3Low59Low96 Ų96111.4 Ų111.458%0.58260%0.603SS**Hα-helixtrans-63.9-38.6176.81750000110.9A109 C116 L117A109-V113 HydrophobicContact CB-CG2 4.16Å; A109-V113 WeakPolarHBondContact O-CB 3.42Å; A109-V113 VanDerWaalsContact O-CG2 3.24Å; A109-V113 WeakPolarHBondContact O-CG2 3.46Å; A109-V113 PolarHBondContact O-N 3.36Å; V113-C116 PolarHBondContact O-N 2.98Å; V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.39Å
114R63.4Low59.2Low185 Ų185111.7 Ų111.770%0.69860%0.6SS**Hα-helixtrans-65.2-39.3176.7-77.7-179.5133.6155.9-2112.6E110 D112 S118E110-R114 WeakPolarHBondContact O-CG 3.24Å; D112-R114 VanDerWaalsContact C-N 3.31Å; D112-R114 PolarHBondContact O-N 3.08Å; R114-S118 WeakPolarHBondContact O-CB 3.41Å; R114-S118 PolarHBondContact O-N 3.15Å
115R64.2Low59.1Low144 Ų144111.5 Ų111.554%0.54360%0.6SS.*Hα-helixtrans-64.4-49.2176.6-167175.877.3-117.3-0.9110.8H111 D112 L117 S118 D119H111-R115 PolarHBondContact O-N 3.42Å; D112-R115 PolarHBondContact O-N 3.48Å; D112-R115 IonicContact OD1-CZ 3.39Å; D112-R115 IonicContact OD1-NH1 2.75Å; D112-R115 PolarHBondContact OD1-NH1 2.9Å; D112-R115 IonicContact OD1-NH2 2.83Å; R115-L117 VanDerWaalsContact C-N 3.33Å; R115-L117 PolarHBondContact O-N 3.18Å; R115-S118 PolarHBondContact O-N 2.96Å; R115-D119 VanDerWaalsContact O-CG 3.3Å; R115-D119 PolarHBondContact O-N 3.4Å
116C61Low59.8Low72 Ų72112.1 Ų112.149%0.48660%0.603SS.*Hα-helixtrans-62.2-37.5178.6-70.60000113.2D112 V113 S120D112-C116 PolarHBondContact O-N 3.07Å; V113-C116 PolarHBondContact O-N 2.98Å; C116-S120 WeakPolarHBondContact O-CB 3.37Å; C116-S120 PolarHBondContact O-N 3.27Å; C116-S120 VanDerWaalsContact O-N 3.08Å; C116-S120 PolarHBondContact O-OG 3.07Å
117L65.4Low59.9Low108 Ų108112.8 Ų112.857%0.56560%0.598SS**Hα-helixtrans-68.4-42.8176.3-175.367.2000111.6V113 R115 S120 I121V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.39Å; R115-L117 VanDerWaalsContact C-N 3.33Å; R115-L117 PolarHBondContact O-N 3.18Å; L117-S120 PolarHBondContact O-N 3.3Å; L117-I121 HydrophobicContact CG-CD1 4.33Å; L117-I121 WeakPolarHBondContact O-CG1 3.38Å; L117-I121 PolarHBondContact O-N 3.27Å; L117-I121 VanDerWaalsContact O-N 3.07Å
118S69.9Low60.3Low60 Ų60112.4 Ų112.442%0.4260%0.6SS.*Hα-helixtrans-61.2-45.7176.8-169.10000111.4R114 R115 S120 I121 H122R114-S118 WeakPolarHBondContact O-CB 3.41Å; R114-S118 PolarHBondContact O-N 3.15Å; R115-S118 PolarHBondContact O-N 2.96Å; S118-S120 VanDerWaalsContact C-N 3.26Å; S118-S120 PolarHBondContact O-N 3.46Å; S118-I121 PolarHBondContact O-N 3.24Å; S118-H122 PolarHBondContact O-CD2 2.98Å; S118-H122 VanDerWaalsContact O-CD2 3.27Å
119D71.1Confident60.9Low94 Ų94113.2 Ų113.250%0.50360%0.599SS.*Hα-helixtrans-62.3-36.7177.7-67.7-16.6000111.2R115 H122R115-D119 VanDerWaalsContact O-CG 3.3Å; R115-D119 PolarHBondContact O-N 3.4Å; D119-H122 PolarHBondContact O-N 3.36Å
120S68.7Low61.1Low67 Ų67117.7 Ų117.747%0.46963%0.626SS.*Hα-helixtrans-69.7-33.3179-58.90000113.2C116 L117 S118 H122 V123 L124C116-S120 WeakPolarHBondContact O-CB 3.37Å; C116-S120 PolarHBondContact O-N 3.27Å; C116-S120 VanDerWaalsContact O-N 3.08Å; C116-S120 PolarHBondContact O-OG 3.07Å; L117-S120 PolarHBondContact O-N 3.3Å; S118-S120 VanDerWaalsContact C-N 3.26Å; S118-S120 PolarHBondContact O-N 3.46Å; S120-H122 VanDerWaalsContact C-N 3.32Å; S120-H122 PolarHBondContact O-N 3.26Å; S120-V123 PolarHBondContact O-N 3.4Å; S120-L124 PolarHBondContact O-N 3.49Å
121I65.5Low61.3Low102 Ų102118.6 Ų118.652%0.52363%0.634SS.*Hα-helixtrans-66.6-34.7179-70.9167.5000111.2L117 S118 V123 L124L117-I121 HydrophobicContact CG-CD1 4.33Å; L117-I121 WeakPolarHBondContact O-CG1 3.38Å; L117-I121 PolarHBondContact O-N 3.27Å; L117-I121 VanDerWaalsContact O-N 3.07Å; S118-I121 PolarHBondContact O-N 3.24Å; I121-V123 VanDerWaalsContact C-N 3.28Å; I121-V123 PolarHBondContact O-N 3.23Å; I121-L124 PolarHBondContact O-N 2.94Å
122H64.8Low61.4Low154 Ų154120 Ų12071%0.71366%0.66SS**Hα-helixtrans-72-20.8178.3-72.5-65.9000114S118 D119 S120S118-H122 PolarHBondContact O-CD2 2.98Å; S118-H122 VanDerWaalsContact O-CD2 3.27Å; D119-H122 PolarHBondContact O-N 3.36Å; S120-H122 VanDerWaalsContact C-N 3.32Å; S120-H122 PolarHBondContact O-N 3.26Å
123V64.6Low61.7Low123 Ų123122.1 Ų122.175%0.74567%0.672SS**Hα-helixtrans-84.2-19175.3-177.60000111.5S120 I121 L125S120-V123 PolarHBondContact O-N 3.4Å; I121-V123 VanDerWaalsContact C-N 3.28Å; I121-V123 PolarHBondContact O-N 3.23Å; V123-L125 PolarHBondContact O-N 3.27Å
124L53.3Low61.7Low124 Ų124123.5 Ų123.565%0.64968%0.677SS**SBendtrans-75.894.6173.1-70.8171.5000109.3S120 I121 V126S120-L124 PolarHBondContact O-N 3.49Å; I121-L124 PolarHBondContact O-N 2.94Å; L124-V126 VanDerWaalsContact C-N 3.28Å; L124-V126 PolarHBondContact O-N 2.93Å
125L46.1Very low61.6Low153 Ų153120.1 Ų120.180%0.80168%0.676SS**  trans-58.287.5168.7-155.592.8000108.9V123 T127V123-L125 PolarHBondContact O-N 3.27Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 HydrophobicContact CD2-CG2 3.81Å; L125-T127 HydrophobicContact CG-CG2 4.31Å; L125-T127 PolarHBondContact O-N 2.84Å
126V58.8Low61.4Low123 Ų123118.6 Ų118.675%0.74568%0.684SS**  trans-72.691172.5173.60000107.6L124 S128L124-V126 VanDerWaalsContact C-N 3.28Å; L124-V126 PolarHBondContact O-N 2.93Å; V126-S128 VanDerWaalsContact C-N 3.28Å; V126-S128 PolarHBondContact O-N 3.17Å; V126-S128 VanDerWaalsContact O-N 3.17Å
127T53.3Low61.5Low102 Ų102121.6 Ų121.663%0.62670%0.696SS**  trans-79.983.9162.755.70000107.1L125 E129L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 HydrophobicContact CD2-CG2 3.81Å; L125-T127 HydrophobicContact CG-CG2 4.31Å; L125-T127 PolarHBondContact O-N 2.84Å; T127-E129 PolarHBondContact O-N 3.16Å; T127-E129 VanDerWaalsContact O-N 3.16Å
128S61Low61.2Low99 Ų99122.5 Ų122.569%0.69271%0.705SS**  trans-73.7100.8166.460.30000107.7V126V126-S128 VanDerWaalsContact C-N 3.28Å; V126-S128 PolarHBondContact O-N 3.17Å; V126-S128 VanDerWaalsContact O-N 3.17Å
129E61.9Low60.6Low164 Ų164126.9 Ų126.977%0.76673%0.725SS**  trans-68.6126.5166.1-61.6-168.5171.700108.3T127 I131T127-E129 PolarHBondContact O-N 3.16Å; T127-E129 VanDerWaalsContact O-N 3.16Å; E129-I131 PolarHBondContact O-N 3.24Å
130P58.4Low59.8Low125 Ų125129.5 Ų129.581%0.81274%0.742SS**  trans-67.7120.8-179.326.5-32.1000109.4S132P130-S132 PolarHBondContact O-N 3.11Å; P130-S132 VanDerWaalsContact O-N 3.11Å
131I61.5Low59Low170 Ų170134.7 Ų134.787%0.87277%0.765SS**  trans-65.1108.9173.7-53.3166.2000106.9E129E129-I131 PolarHBondContact O-N 3.24Å
132S59.1Low58.4Low177 Ų177137.6 Ų137.6100%1.23879%0.787SS**  trans-69.20166.2-1790000111.2P130P130-S132 PolarHBondContact O-N 3.11Å; P130-S132 VanDerWaalsContact O-N 3.11Å

Retrieved 132 of 132 residues in 643.2 ms (Link to these results)