A0A096ME80_POEFO Loading...

Ankyrin repeat domain 63

AlphaFold DB , UniProt , Accession A0A096ME80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 455 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.5Very low57.7Low239 Ų239113.2 Ų113.2100%1.17756%0.561SS**  0133.90-67.3150.98000108
2M53.6Low59.4Low104 Ų104103.9 Ų103.951%0.51252%0.516SS..  trans-72.8146.7167.8-62.5175.283.100108.8L7 T15M2-L7 HydrophobicContact CE-CD2 4.01Å; M2-T15 HydrophobicContact CE-CG2 4.39Å
3R62.1Low61.1Low186 Ų18699.7 Ų99.770%0.70250%0.499SS*.  trans-92.9140.8179.5-44.1178.4-173-164.53.1109K5 D6R3-K5 PolarHBondContact O-N 2.89Å; R3-D6 WeakPolarHBondContact CA-OD2 3.47Å; R3-D6 VanDerWaalsContact CB-OD2 3.23Å; R3-D6 WeakPolarHBondContact CB-OD2 3.43Å; R3-D6 WeakPolarHBondContact CG-OD2 3.23Å; R3-D6 PolarHBondContact N-OD2 3.3Å; R3-D6 PolarHBondContact O-N 3.13Å
4P57.5Low62.7Low59 Ų59102.1 Ų102.138%0.38351%0.505SS..THydrogen-bonded Turntrans-61.9-4.2177.8-26.635.8000116.2R8 A34P4-R8 PolarHBondContact O-NE 3.03Å; P4-A34 HydrophobicContact CB-CB 4.39Å; P4-A34 HydrophobicContact CG-CB 4.45Å
5K57.5Low64.4Low172 Ų17297.3 Ų97.375%0.74848%0.484SS*.THydrogen-bonded Turntrans-84.2-38.9172.5-66-173.1178.1-174.20111.5R3 L7 R8R3-K5 PolarHBondContact O-N 2.89Å; K5-L7 VanDerWaalsContact C-N 3.25Å; K5-L7 PolarHBondContact O-N 3.17Å; K5-R8 PolarHBondContact O-N 3.3Å; K5-R8 VanDerWaalsContact O-N 3.09Å
6D59.5Low65.9Low73 Ų7391.3 Ų91.339%0.3945%0.453SS..G310 helixtrans-64.4-32.3-175.4-39.1-23.9000111.5R3 R8 S11R3-D6 WeakPolarHBondContact CA-OD2 3.47Å; R3-D6 VanDerWaalsContact CB-OD2 3.23Å; R3-D6 WeakPolarHBondContact CB-OD2 3.43Å; R3-D6 WeakPolarHBondContact CG-OD2 3.23Å; R3-D6 PolarHBondContact N-OD2 3.3Å; R3-D6 PolarHBondContact O-N 3.13Å; D6-R8 VanDerWaalsContact C-N 3.34Å; D6-S11 PolarHBondContact O-OG 2.85Å
7L59.6Low67.2Low5 Ų587.3 Ų87.33%0.02643%0.434CS..G310 helixtrans-74-17.8177.5-67.8167.1000114.1M2 K5 S11 G12 T15 I31 L35M2-L7 HydrophobicContact CE-CD2 4.01Å; K5-L7 VanDerWaalsContact C-N 3.25Å; K5-L7 PolarHBondContact O-N 3.17Å; L7-S11 WeakPolarHBondContact CA-OG 3.47Å; L7-G12 VanDerWaalsContact O-CA 3.31Å; L7-G12 WeakPolarHBondContact O-CA 3.3Å; L7-G12 PolarHBondContact O-N 3.21Å; L7-T15 HydrophobicContact CD2-CG2 4.46Å; L7-T15 VanDerWaalsContact CD2-OG1 3.3Å; L7-T15 WeakPolarHBondContact CD2-OG1 3.42Å; L7-I31 HydrophobicContact CD1-CG1 4.48Å; L7-L35 HydrophobicContact CB-CD1 3.79Å; L7-L35 HydrophobicContact CB-CD2 3.92Å; L7-L35 HydrophobicContact CB-CG 4.34Å; L7-L35 HydrophobicContact CD1-CD1 4.22Å; L7-L35 HydrophobicContact CG-CD1 4.5Å
8R56.9Low68.4Low130 Ų13087.1 Ų87.149%0.49144%0.435SS..G310 helixtrans-81.8-16-178.2-62.2-174.3-159.2-107.82.7113.2P4 K5 D6 G10 L35 D36P4-R8 PolarHBondContact O-NE 3.03Å; K5-R8 PolarHBondContact O-N 3.3Å; K5-R8 VanDerWaalsContact O-N 3.09Å; D6-R8 VanDerWaalsContact C-N 3.34Å; R8-G10 PolarHBondContact O-N 3.08Å; R8-L35 HydrophobicContact CG-CD2 3.73Å; R8-D36 IonicContact NH1-OD2 3.15Å; R8-D36 PolarHBondContact NH1-OD2 3.16Å
9Q56Low69.6Low173 Ų17382.6 Ų82.681%0.80841%0.413SS*.THydrogen-bonded Turntrans-8449.1-178.4-62.2-175.4-6.300112.2S11Q9-S11 PolarHBondContact O-N 3.47Å
10G56.4Low70.6Confident61 Ų6178.5 Ų78.563%0.62939%0.392SS*.THydrogen-bonded Turntrans75.1-17.6179.200000116.3R8 G12R8-G10 PolarHBondContact O-N 3.08Å; G10-G12 VanDerWaalsContact C-N 3.34Å; G10-G12 PolarHBondContact O-N 2.97Å
11S67.3Low71.4Confident43 Ų4380 Ų8030%0.30140%0.398SS..Hα-helixtrans-72.8-19.7-178.665.40000114.9D6 L7 Q9 T13 K14 T15D6-S11 PolarHBondContact O-OG 2.85Å; L7-S11 WeakPolarHBondContact CA-OG 3.47Å; Q9-S11 PolarHBondContact O-N 3.47Å; S11-T13 PolarHBondContact O-N 3.21Å; S11-K14 PolarHBondContact O-N 2.96Å; S11-T15 WeakPolarHBondContact O-CB 3.37Å; S11-T15 WeakPolarHBondContact O-CG2 3.47Å; S11-T15 PolarHBondContact O-N 3.49Å; S11-T15 PolarHBondContact O-OG1 3.09Å
12G78.1Confident73.3Confident2 Ų270.8 Ų70.82%0.02136%0.364CS..Hα-helixtrans-61.8-35.3-172.600000115L7 G10 T15 F16L7-G12 VanDerWaalsContact O-CA 3.31Å; L7-G12 WeakPolarHBondContact O-CA 3.3Å; L7-G12 PolarHBondContact O-N 3.21Å; G10-G12 VanDerWaalsContact C-N 3.34Å; G10-G12 PolarHBondContact O-N 2.97Å; G12-T15 WeakPolarHBondContact CA-OG1 3.37Å; G12-T15 PolarHBondContact O-OG1 3.31Å; G12-F16 VanDerWaalsContact O-CB 3.3Å; G12-F16 WeakPolarHBondContact O-CB 3.33Å; G12-F16 PolarHBondContact O-N 2.95Å; G12-F16 VanDerWaalsContact O-N 3.09Å
13T81.4Confident75.1Confident49 Ų4967.2 Ų67.230%0.30135%0.354SS..Hα-helixtrans-67.6-51.417752.60000111S11 F16 L17 I39 S42S11-T13 PolarHBondContact O-N 3.21Å; T13-F16 WeakPolarHBondContact O-CB 3.19Å; T13-F16 PolarHBondContact O-N 3.04Å; T13-L17 WeakPolarHBondContact O-CG 3.4Å; T13-L17 PolarHBondContact O-N 3.22Å; T13-I39 HydrophobicContact CG2-CG1 3.96Å; T13-I39 HydrophobicContact CG2-CG2 4.2Å; T13-S42 VanDerWaalsContact CG2-OG 3.29Å; T13-S42 WeakPolarHBondContact CG2-OG 3.36Å
14K83.6Confident76.5Confident134 Ų13464 Ų6458%0.58335%0.345SS*.Hα-helixtrans-60.7-49.2179.1-174164.7-175.3161.40111.8S11 F16 L17 D18S11-K14 PolarHBondContact O-N 2.96Å; K14-F16 VanDerWaalsContact C-N 3.27Å; K14-F16 PolarHBondContact O-N 2.91Å; K14-L17 CarbonylContact O-C 3.59Å; K14-L17 PolarHBondContact O-N 3.46Å; K14-D18 PolarHBondContact O-N 3.02Å
15T87.4Confident78.1Confident30 Ų3062.1 Ų62.118%0.18433%0.333CS..Hα-helixtrans-64.5-28177.951.50000113.6M2 L7 S11 G12 A19M2-T15 HydrophobicContact CE-CG2 4.39Å; L7-T15 HydrophobicContact CD2-CG2 4.46Å; L7-T15 VanDerWaalsContact CD2-OG1 3.3Å; L7-T15 WeakPolarHBondContact CD2-OG1 3.42Å; S11-T15 WeakPolarHBondContact O-CB 3.37Å; S11-T15 WeakPolarHBondContact O-CG2 3.47Å; S11-T15 PolarHBondContact O-N 3.49Å; S11-T15 PolarHBondContact O-OG1 3.09Å; G12-T15 WeakPolarHBondContact CA-OG1 3.37Å; G12-T15 PolarHBondContact O-OG1 3.31Å; T15-A19 WeakPolarHBondContact O-CB 3.31Å; T15-A19 PolarHBondContact O-N 3.04Å; T15-A19 VanDerWaalsContact O-N 3.13Å
16F89.2Confident79.7Confident0 Ų061.6 Ų61.60%033%0.333CS..Hα-helixtrans-67.2-46.1169-177-105.2000111.8G12 T13 K14 A19 M20 A28 I31 L32 I39 P50 L70G12-F16 VanDerWaalsContact O-CB 3.3Å; G12-F16 WeakPolarHBondContact O-CB 3.33Å; G12-F16 PolarHBondContact O-N 2.95Å; G12-F16 VanDerWaalsContact O-N 3.09Å; T13-F16 WeakPolarHBondContact O-CB 3.19Å; T13-F16 PolarHBondContact O-N 3.04Å; K14-F16 VanDerWaalsContact C-N 3.27Å; K14-F16 PolarHBondContact O-N 2.91Å; F16-A19 WeakPolarHBondContact O-CB 3.39Å; F16-A19 PolarHBondContact O-N 2.93Å; F16-M20 HydrophobicContact CD1-CG 4.45Å; F16-M20 HydrophobicContact CD1-SD 3.72Å; F16-M20 HydrophobicContact CE1-CG 4.12Å; F16-M20 HydrophobicContact CE1-SD 3.28Å; F16-M20 WeakPolarHBondContact CE1-SD 3.3Å; F16-M20 HydrophobicContact CZ-CG 4.34Å; F16-M20 HydrophobicContact CZ-SD 3.96Å; F16-M20 WeakPolarHBondContact O-CG 3.48Å; F16-M20 PolarHBondContact O-N 3.45Å; F16-A28 HydrophobicContact CD2-CB 4.08Å; F16-A28 HydrophobicContact CE2-CB 3.6Å; F16-A28 WeakPolarHBondContact CE2-O 3.12Å; F16-A28 HydrophobicContact CZ-CB 4.39Å; F16-I31 HydrophobicContact CB-CG2 4Å; F16-I31 HydrophobicContact CD2-CB 4.23Å; F16-I31 HydrophobicContact CD2-CG2 3.99Å; F16-I31 HydrophobicContact CG-CG2 4.46Å; F16-L32 HydrophobicContact CD2-CD2 3.95Å; F16-L32 HydrophobicContact CD2-CG 4.13Å; F16-L32 HydrophobicContact CE1-CD2 4.43Å; F16-L32 HydrophobicContact CE2-CD1 3.83Å; F16-L32 HydrophobicContact CE2-CD2 3.55Å; F16-L32 HydrophobicContact CE2-CG 3.46Å; F16-L32 VanDerWaalsContact CE2-CG 3.46Å; F16-L32 HydrophobicContact CZ-CD1 3.95Å; F16-L32 HydrophobicContact CZ-CD2 3.84Å; F16-L32 HydrophobicContact CZ-CG 3.99Å; F16-I39 HydrophobicContact CB-CG2 4.32Å; F16-I39 HydrophobicContact CD1-CG2 4.31Å; F16-I39 HydrophobicContact CG-CG2 4.36Å; F16-P50 HydrophobicContact CD1-CB 4.05Å; F16-P50 HydrophobicContact CD1-CG 4.47Å; F16-P50 HydrophobicContact CE1-CB 3.69Å; F16-P50 HydrophobicContact CE1-CG 4.48Å; F16-L70 HydrophobicContact CE1-CD1 4.41Å; F16-L70 HydrophobicContact CE1-CD2 3.97Å; F16-L70 HydrophobicContact CZ-CD1 4.48Å; F16-L70 HydrophobicContact CZ-CD2 3.8Å; F16-L70 HydrophobicContact CZ-CG 4.3Å
17L88.1Confident81.1Confident24 Ų2461.5 Ų61.513%0.12633%0.331CS..Hα-helixtrans-65.8-37.6177.5-63.2166.2000112.2T13 K14 A19 M20 H21 T44 Y53T13-L17 WeakPolarHBondContact O-CG 3.4Å; T13-L17 PolarHBondContact O-N 3.22Å; K14-L17 CarbonylContact O-C 3.59Å; K14-L17 PolarHBondContact O-N 3.46Å; L17-A19 VanDerWaalsContact C-N 3.29Å; L17-A19 PolarHBondContact O-N 3.37Å; L17-M20 HydrophobicContact CD2-SD 4.05Å; L17-M20 WeakPolarHBondContact O-CB 3.43Å; L17-M20 PolarHBondContact O-N 3.49Å; L17-M20 VanDerWaalsContact O-N 3.12Å; L17-H21 PolarHBondContact O-N 2.66Å; L17-H21 PolarHBondContact O-ND1 3.43Å; L17-T44 HydrophobicContact CD1-CG2 3.69Å; L17-Y53 HydrophobicContact CD2-CD1 3.95Å; L17-Y53 HydrophobicContact CD2-CD2 4.12Å; L17-Y53 HydrophobicContact CD2-CG 3.65Å
18D88.4Confident82.6Confident83 Ų8361.2 Ų61.244%0.44433%0.33SS..Hα-helixtrans-62.8-37.1172.9-63.1-30.4000111.3K14 M20 G22K14-D18 PolarHBondContact O-N 3.02Å; D18-M20 VanDerWaalsContact C-N 3.33Å; D18-G22 PolarHBondContact O-N 2.92Å
19A91.1Very high84.2Confident2 Ų259.4 Ų59.42%0.01732%0.323CS..Hα-helixtrans-68.7-30.9173.100000112.5T15 F16 L17 G23 K24 L27 A28 I31T15-A19 WeakPolarHBondContact O-CB 3.31Å; T15-A19 PolarHBondContact O-N 3.04Å; T15-A19 VanDerWaalsContact O-N 3.13Å; F16-A19 WeakPolarHBondContact O-CB 3.39Å; F16-A19 PolarHBondContact O-N 2.93Å; L17-A19 VanDerWaalsContact C-N 3.29Å; L17-A19 PolarHBondContact O-N 3.37Å; A19-G23 PolarHBondContact O-N 2.97Å; A19-K24 HydrophobicContact CB-CB 4.34Å; A19-K24 WeakPolarHBondContact O-CB 3.48Å; A19-K24 PolarHBondContact O-N 3.44Å; A19-L27 HydrophobicContact CB-CB 4.35Å; A19-L27 HydrophobicContact CB-CD2 3.9Å; A19-L27 HydrophobicContact CB-CG 4Å; A19-A28 HydrophobicContact CB-CB 4.21Å; A19-I31 HydrophobicContact CB-CD1 4.32Å
20M90.3Very high85.8Confident1 Ų156.3 Ų56.31%0.00531%0.307CS..Hα-helixtrans-68.9-50.8173.4-68.8173.163.900112.2F16 L17 D18 G22 G23 Y53 A54 L57 F66F16-M20 HydrophobicContact CD1-CG 4.45Å; F16-M20 HydrophobicContact CD1-SD 3.72Å; F16-M20 HydrophobicContact CE1-CG 4.12Å; F16-M20 HydrophobicContact CE1-SD 3.28Å; F16-M20 WeakPolarHBondContact CE1-SD 3.3Å; F16-M20 HydrophobicContact CZ-CG 4.34Å; F16-M20 HydrophobicContact CZ-SD 3.96Å; F16-M20 WeakPolarHBondContact O-CG 3.48Å; F16-M20 PolarHBondContact O-N 3.45Å; L17-M20 HydrophobicContact CD2-SD 4.05Å; L17-M20 WeakPolarHBondContact O-CB 3.43Å; L17-M20 PolarHBondContact O-N 3.49Å; L17-M20 VanDerWaalsContact O-N 3.12Å; D18-M20 VanDerWaalsContact C-N 3.33Å; M20-G22 VanDerWaalsContact C-N 3.29Å; M20-G22 PolarHBondContact O-N 2.83Å; M20-G23 PolarHBondContact O-N 3.13Å; M20-Y53 HydrophobicContact CE-CD1 4.27Å; M20-A54 VanDerWaalsContact CE-CA 3.41Å; M20-A54 HydrophobicContact CE-CB 3.57Å; M20-A54 VanDerWaalsContact CE-N 3.35Å; M20-L57 HydrophobicContact CB-CD1 4.42Å; M20-L57 HydrophobicContact CE-CD1 4.14Å; M20-F66 HydrophobicContact CB-CE1 4.44Å; M20-F66 HydrophobicContact CB-CE2 4.41Å; M20-F66 HydrophobicContact CB-CZ 4.33Å; M20-F66 HydrophobicContact CE-CB 4.39Å; M20-F66 HydrophobicContact CG-CD1 3.88Å; M20-F66 HydrophobicContact CG-CE1 3.91Å; M20-F66 HydrophobicContact CG-CG 4.27Å; M20-F66 HydrophobicContact CG-CZ 4.3Å; M20-F66 WeakPolarHBondContact O-CE2 3.47Å
21H87.8Confident87.3Confident110 Ų11053.6 Ų53.651%0.50928%0.278SS..Hα-helixtrans-55.3-44.4174.7-72.798.2000112.1L17 G23 Y53L17-H21 PolarHBondContact O-N 2.66Å; L17-H21 PolarHBondContact O-ND1 3.43Å; H21-G23 PolarHBondContact O-N 2.99Å; H21-G23 VanDerWaalsContact O-N 3.16Å; H21-Y53 AromaticContact CE1-CE1 3.34Å; H21-Y53 WeakPolarHBondContact CE1-CE1 3.5Å; H21-Y53 AromaticContact CE1-CZ 3.45Å; H21-Y53 VanDerWaalsContact CE1-CZ 3.45Å; H21-Y53 PolarHBondContact CE1-OH 3.06Å; H21-Y53 AromaticContact NE2-CE1 3.49Å; H21-Y53 WeakPolarHBondContact NE2-CE1 3.25Å; H21-Y53 AromaticContact NE2-CZ 3.54Å; H21-Y53 PolarHBondContact NE2-OH 2.83Å
22G88.3Confident88.2Confident45 Ų4551.7 Ų51.746%0.46427%0.265SS..THydrogen-bonded Turntrans-745.2178.700000115.4D18 M20 K24D18-G22 PolarHBondContact O-N 2.92Å; M20-G22 VanDerWaalsContact C-N 3.29Å; M20-G22 PolarHBondContact O-N 2.83Å; G22-K24 VanDerWaalsContact O-CG 3.3Å; G22-K24 WeakPolarHBondContact O-CG 3.41Å; G22-K24 PolarHBondContact O-N 2.81Å
23G90.2Very high88.7Confident30 Ų3055.6 Ų55.631%0.30929%0.285SS..THydrogen-bonded Turntrans66.512.5-177.300000114.8A19 M20 H21 V25A19-G23 PolarHBondContact O-N 2.97Å; M20-G23 PolarHBondContact O-N 3.13Å; H21-G23 PolarHBondContact O-N 2.99Å; H21-G23 VanDerWaalsContact O-N 3.16Å; G23-V25 VanDerWaalsContact C-N 3.28Å; G23-V25 PolarHBondContact O-N 3.35Å
24K91.4Very high88.9Confident119 Ų11954 Ų5452%0.51728%0.277SS..  trans-83.261.1-166.8-55.2179.6-177163.30112A19 G22 H26 L27 A28A19-K24 HydrophobicContact CB-CB 4.34Å; A19-K24 WeakPolarHBondContact O-CB 3.48Å; A19-K24 PolarHBondContact O-N 3.44Å; G22-K24 VanDerWaalsContact O-CG 3.3Å; G22-K24 WeakPolarHBondContact O-CG 3.41Å; G22-K24 PolarHBondContact O-N 2.81Å; K24-H26 PolarHBondContact O-N 3.36Å; K24-H26 VanDerWaalsContact O-N 3.07Å; K24-L27 HydrophobicContact CB-CB 3.87Å; K24-L27 HydrophobicContact CB-CD2 4.34Å; K24-L27 HydrophobicContact CD-CD2 3.97Å; K24-L27 WeakPolarHBondContact O-CB 3.24Å; K24-L27 PolarHBondContact O-N 2.87Å; K24-A28 PolarHBondContact O-N 3.42Å
25V91.3Very high88.8Confident19 Ų1948 Ų4812%0.11525%0.251CS..Hα-helixtrans-50.4-37.3-175.8-177.20000113.2G23 R29 K65 F66 L69G23-V25 VanDerWaalsContact C-N 3.28Å; G23-V25 PolarHBondContact O-N 3.35Å; V25-R29 WeakPolarHBondContact O-CB 3.19Å; V25-R29 PolarHBondContact O-N 2.79Å; V25-K65 HydrophobicContact CG2-CB 4.19Å; V25-K65 HydrophobicContact CG2-CD 4.39Å; V25-F66 HydrophobicContact CB-CE1 4.3Å; V25-F66 HydrophobicContact CB-CZ 4.38Å; V25-F66 HydrophobicContact CG2-CD1 4.47Å; V25-F66 HydrophobicContact CG2-CE1 3.93Å; V25-F66 HydrophobicContact CG2-CE2 4.03Å; V25-F66 HydrophobicContact CG2-CZ 3.68Å; V25-L69 HydrophobicContact CG1-CD2 4.31Å
26H90.4Very high88.1Confident161 Ų16151.4 Ų51.475%0.74527%0.269SS*.Hα-helixtrans-70.3-39.6177.4-63.7-86.1000113.2K24 F30K24-H26 PolarHBondContact O-N 3.36Å; K24-H26 VanDerWaalsContact O-N 3.07Å; H26-F30 WeakPolarHBondContact O-CB 3.45Å; H26-F30 PolarHBondContact O-N 3.36Å
27L89.8Confident87.2Confident70 Ų7052.6 Ų52.637%0.36628%0.28SS..Hα-helixtrans-67.2-44.5175.3176.560.8000110.5A19 K24 R29 F30 I31A19-L27 HydrophobicContact CB-CB 4.35Å; A19-L27 HydrophobicContact CB-CD2 3.9Å; A19-L27 HydrophobicContact CB-CG 4Å; K24-L27 HydrophobicContact CB-CB 3.87Å; K24-L27 HydrophobicContact CB-CD2 4.34Å; K24-L27 HydrophobicContact CD-CD2 3.97Å; K24-L27 WeakPolarHBondContact O-CB 3.24Å; K24-L27 PolarHBondContact O-N 2.87Å; L27-R29 PolarHBondContact O-N 3.27Å; L27-F30 PolarHBondContact O-N 3.06Å; L27-I31 HydrophobicContact CD1-CD1 4.02Å; L27-I31 HydrophobicContact CD1-CG1 4.28Å; L27-I31 HydrophobicContact CG-CD1 3.87Å; L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.19Å; L27-I31 PolarHBondContact O-N 3.38Å
28A90.6Very high86.7Confident0 Ų060.2 Ų60.20%031%0.308CS..Hα-helixtrans-58.9-46.4175.500000111.9F16 A19 K24 F30 I31 L32 F66 L69F16-A28 HydrophobicContact CD2-CB 4.08Å; F16-A28 HydrophobicContact CE2-CB 3.6Å; F16-A28 WeakPolarHBondContact CE2-O 3.12Å; F16-A28 HydrophobicContact CZ-CB 4.39Å; A19-A28 HydrophobicContact CB-CB 4.21Å; K24-A28 PolarHBondContact O-N 3.42Å; A28-F30 PolarHBondContact O-N 2.95Å; A28-I31 PolarHBondContact O-N 3.38Å; A28-L32 WeakPolarHBondContact O-CG 3.33Å; A28-L32 PolarHBondContact O-N 3.1Å; A28-F66 HydrophobicContact CB-CD1 4.31Å; A28-F66 HydrophobicContact CB-CE1 3.6Å; A28-L69 HydrophobicContact CB-CD2 4.39Å
29R90.9Very high86.4Confident92 Ų9257.1 Ų57.135%0.34729%0.291SS..Hα-helixtrans-56.9-49.5174.5-172.9-177.2-53.8-93.6-3.7111.4V25 L27 I31 L32 D33 L69V25-R29 WeakPolarHBondContact O-CB 3.19Å; V25-R29 PolarHBondContact O-N 2.79Å; L27-R29 PolarHBondContact O-N 3.27Å; R29-I31 VanDerWaalsContact C-N 3.32Å; R29-I31 PolarHBondContact O-N 3.04Å; R29-L32 PolarHBondContact O-N 3.4Å; R29-D33 WeakPolarHBondContact O-CB 3.4Å; R29-D33 VanDerWaalsContact O-CG 3.29Å; R29-D33 PolarHBondContact O-N 3.38Å; R29-L69 HydrophobicContact CB-CD1 4.15Å; R29-L69 HydrophobicContact CB-CD2 4.12Å; R29-L69 HydrophobicContact CG-CD1 3.98Å
30F89.4Confident86.1Confident108 Ų10857.3 Ų57.347%0.47429%0.291SS..Hα-helixtrans-59.1-38.9175.9176.2-94.7000113H26 L27 A28 D33 A34H26-F30 WeakPolarHBondContact O-CB 3.45Å; H26-F30 PolarHBondContact O-N 3.36Å; L27-F30 PolarHBondContact O-N 3.06Å; A28-F30 PolarHBondContact O-N 2.95Å; F30-D33 PolarHBondContact O-N 3.16Å; F30-A34 HydrophobicContact CE1-CB 4.45Å; F30-A34 WeakPolarHBondContact O-CB 3.47Å; F30-A34 PolarHBondContact O-N 3.45Å
31I87.9Confident85.9Confident3 Ų360.6 Ų60.62%0.01531%0.309CS..Hα-helixtrans-65.9-42.1176.8-70.5166.5000111.2L7 F16 A19 L27 A28 R29 L35L7-I31 HydrophobicContact CD1-CG1 4.48Å; F16-I31 HydrophobicContact CB-CG2 4Å; F16-I31 HydrophobicContact CD2-CB 4.23Å; F16-I31 HydrophobicContact CD2-CG2 3.99Å; F16-I31 HydrophobicContact CG-CG2 4.46Å; A19-I31 HydrophobicContact CB-CD1 4.32Å; L27-I31 HydrophobicContact CD1-CD1 4.02Å; L27-I31 HydrophobicContact CD1-CG1 4.28Å; L27-I31 HydrophobicContact CG-CD1 3.87Å; L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.19Å; L27-I31 PolarHBondContact O-N 3.38Å; A28-I31 PolarHBondContact O-N 3.38Å; R29-I31 VanDerWaalsContact C-N 3.32Å; R29-I31 PolarHBondContact O-N 3.04Å; I31-L35 HydrophobicContact CG2-CD1 3.76Å; I31-L35 WeakPolarHBondContact O-CB 3.22Å; I31-L35 WeakPolarHBondContact O-CD1 3.34Å; I31-L35 WeakPolarHBondContact O-CG 3.33Å; I31-L35 PolarHBondContact O-N 2.93Å
32L87.4Confident85.8Confident3 Ų356.9 Ų56.92%0.01630%0.295CS..Hα-helixtrans-63.5-42.8175.2-65-179.4000112F16 A28 R29 L35 D36 G37 I40 L69 L70 K73F16-L32 HydrophobicContact CD2-CD2 3.95Å; F16-L32 HydrophobicContact CD2-CG 4.13Å; F16-L32 HydrophobicContact CE1-CD2 4.43Å; F16-L32 HydrophobicContact CE2-CD1 3.83Å; F16-L32 HydrophobicContact CE2-CD2 3.55Å; F16-L32 HydrophobicContact CE2-CG 3.46Å; F16-L32 VanDerWaalsContact CE2-CG 3.46Å; F16-L32 HydrophobicContact CZ-CD1 3.95Å; F16-L32 HydrophobicContact CZ-CD2 3.84Å; F16-L32 HydrophobicContact CZ-CG 3.99Å; A28-L32 WeakPolarHBondContact O-CG 3.33Å; A28-L32 PolarHBondContact O-N 3.1Å; R29-L32 PolarHBondContact O-N 3.4Å; L32-L35 PolarHBondContact O-N 3.14Å; L32-D36 PolarHBondContact O-N 3.41Å; L32-G37 PolarHBondContact O-N 2.89Å; L32-G37 VanDerWaalsContact O-N 3.15Å; L32-I40 HydrophobicContact CD2-CG1 3.7Å; L32-L69 HydrophobicContact CD1-CD1 4.5Å; L32-L69 HydrophobicContact CD1-CD2 4.42Å; L32-L69 HydrophobicContact CD1-CG 4.13Å; L32-L70 HydrophobicContact CD1-CD2 4.06Å; L32-L70 HydrophobicContact CD2-CD2 4.49Å; L32-K73 HydrophobicContact CD1-CB 4.44Å; L32-K73 HydrophobicContact CD1-CG 4.15Å
33D87Confident85.5Confident84 Ų8460 Ų6045%0.44930%0.296SS..Hα-helixtrans-69.4-37.7-179.4-68.8-28.6000112.2R29 F30 L35 K73R29-D33 WeakPolarHBondContact O-CB 3.4Å; R29-D33 VanDerWaalsContact O-CG 3.29Å; R29-D33 PolarHBondContact O-N 3.38Å; F30-D33 PolarHBondContact O-N 3.16Å; D33-L35 PolarHBondContact O-N 3.44Å; D33-K73 WeakPolarHBondContact OD1-CE 3.5Å; D33-K73 IonicContact OD1-NZ 3.16Å; D33-K73 PolarHBondContact OD1-NZ 3.21Å; D33-K73 IonicContact OD2-NZ 2.65Å
34A85.8Confident85Confident17 Ų1760.1 Ų60.114%0.1429%0.291CS..THydrogen-bonded Turntrans-75-9.4178.500000114.5P4 F30P4-A34 HydrophobicContact CB-CB 4.39Å; P4-A34 HydrophobicContact CG-CB 4.45Å; F30-A34 HydrophobicContact CE1-CB 4.45Å; F30-A34 WeakPolarHBondContact O-CB 3.47Å; F30-A34 PolarHBondContact O-N 3.45Å
35L81.8Confident84.3Confident7 Ų763.2 Ų63.24%0.03731%0.307CS..THydrogen-bonded Turntrans-127.922.7-171.9-62.9169.6000112.9L7 R8 I31 L32 D33 G37 R38 I39L7-L35 HydrophobicContact CB-CD1 3.79Å; L7-L35 HydrophobicContact CB-CD2 3.92Å; L7-L35 HydrophobicContact CB-CG 4.34Å; L7-L35 HydrophobicContact CD1-CD1 4.22Å; L7-L35 HydrophobicContact CG-CD1 4.5Å; R8-L35 HydrophobicContact CG-CD2 3.73Å; I31-L35 HydrophobicContact CG2-CD1 3.76Å; I31-L35 WeakPolarHBondContact O-CB 3.22Å; I31-L35 WeakPolarHBondContact O-CD1 3.34Å; I31-L35 WeakPolarHBondContact O-CG 3.33Å; I31-L35 PolarHBondContact O-N 2.93Å; L32-L35 PolarHBondContact O-N 3.14Å; D33-L35 PolarHBondContact O-N 3.44Å; L35-G37 PolarHBondContact O-N 3.44Å; L35-R38 WeakPolarHBondContact O-CB 3.31Å; L35-R38 VanDerWaalsContact O-CG 3.3Å; L35-R38 WeakPolarHBondContact O-CG 3.45Å; L35-R38 PolarHBondContact O-N 3.21Å; L35-I39 HydrophobicContact CB-CD1 4.13Å; L35-I39 HydrophobicContact CD1-CD1 3.32Å; L35-I39 HydrophobicContact CG-CD1 4.3Å
36D71.9Confident83.6Confident102 Ų10267.4 Ų67.455%0.54533%0.329SS..THydrogen-bonded Turntrans54.928.1171.4-35.8-54.1000113.4R8 L32 R38R8-D36 IonicContact NH1-OD2 3.15Å; R8-D36 PolarHBondContact NH1-OD2 3.16Å; L32-D36 PolarHBondContact O-N 3.41Å; D36-R38 HydrophobicContact CB-CG 4.33Å; D36-R38 PolarHBondContact O-N 2.89Å; D36-R38 VanDerWaalsContact O-N 3.13Å; D36-R38 IonicContact OD2-CZ 3.8Å; D36-R38 IonicContact OD2-NE 3.21Å; D36-R38 PolarHBondContact OD2-NE 2.77Å; D36-R38 IonicContact OD2-NH2 3.49Å; D36-R38 PolarHBondContact OD2-NH2 3.45Å
37G71.9Confident83.2Confident24 Ų2461.1 Ų61.125%0.24730%0.303CS..THydrogen-bonded Turntrans66.64.4-174.700000116.3L32 L35 I39 I40L32-G37 PolarHBondContact O-N 2.89Å; L32-G37 VanDerWaalsContact O-N 3.15Å; L35-G37 PolarHBondContact O-N 3.44Å; G37-I39 PolarHBondContact O-N 3.02Å; G37-I40 VanDerWaalsContact CA-CD1 3.42Å; G37-I40 WeakPolarHBondContact O-CB 3.39Å; G37-I40 WeakPolarHBondContact O-CD1 3.43Å; G37-I40 WeakPolarHBondContact O-CG1 3.46Å; G37-I40 PolarHBondContact O-N 3.09Å
38R76.8Confident83Confident185 Ų18561.1 Ų61.170%0.69830%0.299SS*.THydrogen-bonded Turntrans-57.1-26.3-174.6-64173-170.1-122.3-0.2114.3L35 D36L35-R38 WeakPolarHBondContact O-CB 3.31Å; L35-R38 VanDerWaalsContact O-CG 3.3Å; L35-R38 WeakPolarHBondContact O-CG 3.45Å; L35-R38 PolarHBondContact O-N 3.21Å; D36-R38 HydrophobicContact CB-CG 4.33Å; D36-R38 PolarHBondContact O-N 2.89Å; D36-R38 VanDerWaalsContact O-N 3.13Å; D36-R38 IonicContact OD2-CZ 3.8Å; D36-R38 IonicContact OD2-NE 3.21Å; D36-R38 PolarHBondContact OD2-NE 2.77Å; D36-R38 IonicContact OD2-NH2 3.49Å; D36-R38 PolarHBondContact OD2-NH2 3.45Å
39I83.1Confident83Confident17 Ų1761.2 Ų61.29%0.08730%0.299CS..THydrogen-bonded Turntrans-84.3-18.8-179-74155.8000112.8T13 F16 L35 G37 N41 S42 P50T13-I39 HydrophobicContact CG2-CG1 3.96Å; T13-I39 HydrophobicContact CG2-CG2 4.2Å; F16-I39 HydrophobicContact CB-CG2 4.32Å; F16-I39 HydrophobicContact CD1-CG2 4.31Å; F16-I39 HydrophobicContact CG-CG2 4.36Å; L35-I39 HydrophobicContact CB-CD1 4.13Å; L35-I39 HydrophobicContact CD1-CD1 3.32Å; L35-I39 HydrophobicContact CG-CD1 4.3Å; G37-I39 PolarHBondContact O-N 3.02Å; I39-N41 PolarHBondContact O-N 2.97Å; I39-N41 VanDerWaalsContact O-N 3.09Å; I39-S42 PolarHBondContact O-N 3.15Å; I39-S42 PolarHBondContact O-OG 3.44Å; I39-P50 HydrophobicContact CG2-CG 4.48Å; I39-P50 WeakPolarHBondContact O-CG 3.29Å
40I84.4Confident82.9Confident6 Ų656.9 Ų56.93%0.03128%0.283CS..THydrogen-bonded Turntrans-58.3-35.8-169.5-62.9169.5000112.1L32 G37 P50 L70 K73 A75L32-I40 HydrophobicContact CD2-CG1 3.7Å; G37-I40 VanDerWaalsContact CA-CD1 3.42Å; G37-I40 WeakPolarHBondContact O-CB 3.39Å; G37-I40 WeakPolarHBondContact O-CD1 3.43Å; G37-I40 WeakPolarHBondContact O-CG1 3.46Å; G37-I40 PolarHBondContact O-N 3.09Å; I40-P50 WeakPolarHBondContact O-CD 3.43Å; I40-L70 HydrophobicContact CG1-CD2 4.48Å; I40-L70 HydrophobicContact CG2-CD2 4.09Å; I40-K73 HydrophobicContact CD1-CB 3.57Å; I40-K73 VanDerWaalsContact CD1-O 3.24Å; I40-K73 WeakPolarHBondContact CD1-O 3.41Å; I40-A75 HydrophobicContact CG2-CB 3.44Å; I40-A75 VanDerWaalsContact CG2-CB 3.44Å
41N85.7Confident83.1Confident71 Ų7151.8 Ų51.838%0.3826%0.261SS..THydrogen-bonded Turntrans-111.19179-61.8-44.6000113I39 K43 N76I39-N41 PolarHBondContact O-N 2.97Å; I39-N41 VanDerWaalsContact O-N 3.09Å; N41-K43 PolarHBondContact O-N 3.02Å; N41-N76 PolarHBondContact OD1-N 3.13Å
42S85.3Confident83.3Confident31 Ų3151.7 Ų51.722%0.21726%0.26CS..  trans-71.8127.5179.565.70000110.9T13 I39 P50T13-S42 VanDerWaalsContact CG2-OG 3.29Å; T13-S42 WeakPolarHBondContact CG2-OG 3.36Å; I39-S42 PolarHBondContact O-N 3.15Å; I39-S42 PolarHBondContact O-OG 3.44Å; S42-P50 WeakPolarHBondContact O-CD 3.3Å
43K81.8Confident83.4Confident111 Ų11154.7 Ų54.748%0.48327%0.271SS..  trans-70.7139.6175.6-75.2-167.9154.5-159.80111.6N41 S47 R48 Q80N41-K43 PolarHBondContact O-N 3.02Å; K43-S47 WeakPolarHBondContact CD-O 3.5Å; K43-S47 WeakPolarHBondContact CE-O 3.32Å; K43-S47 VanDerWaalsContact CG-O 3.31Å; K43-S47 WeakPolarHBondContact CG-O 3.34Å; K43-R48 WeakPolarHBondContact CA-O 3.27Å; K43-Q80 WeakPolarHBondContact CE-O 3.23Å; K43-Q80 PolarHBondContact NZ-O 2.99Å
44T80.4Confident83.7Confident32 Ų3250.7 Ų50.720%0.19625%0.25CS..  trans-83.9-176.5173.965.80000111.9L17 N46 S47 R48L17-T44 HydrophobicContact CD1-CG2 3.69Å; T44-N46 PolarHBondContact O-N 2.61Å; T44-N46 VanDerWaalsContact O-N 3.16Å; T44-S47 WeakPolarHBondContact O-CA 3.41Å; T44-S47 PolarHBondContact O-N 2.61Å; T44-R48 WeakPolarHBondContact CG2-O 3.37Å; T44-R48 PolarHBondContact N-O 3.44Å; T44-R48 PolarHBondContact OG1-N 2.86Å; T44-R48 PolarHBondContact OG1-O 3.22Å
45E76.3Confident84Confident184 Ų18449.9 Ų49.986%0.8624%0.243SC*.THydrogen-bonded Turntrans-58.6-20.3175.1-66.2166.1-154.500113.9
46N76.4Confident84.5Confident107 Ų10751.4 Ų51.457%0.57225%0.254SS*.THydrogen-bonded Turntrans-103.722.1173-49.397.7000112.3T44 R48T44-N46 PolarHBondContact O-N 2.61Å; T44-N46 VanDerWaalsContact O-N 3.16Å; N46-R48 PolarHBondContact O-N 3Å
47S81.9Confident85.4Confident30 Ų3047.1 Ų47.121%0.2123%0.231CC..SBendtrans49.112.8-169.6-59.60000117.8K43 T44 E82K43-S47 WeakPolarHBondContact CD-O 3.5Å; K43-S47 WeakPolarHBondContact CE-O 3.32Å; K43-S47 VanDerWaalsContact CG-O 3.31Å; K43-S47 WeakPolarHBondContact CG-O 3.34Å; T44-S47 WeakPolarHBondContact O-CA 3.41Å; T44-S47 PolarHBondContact O-N 2.61Å; S47-E82 VanDerWaalsContact CB-OE1 3.22Å; S47-E82 WeakPolarHBondContact CB-OE1 3.26Å; S47-E82 PolarHBondContact N-OE1 2.95Å; S47-E82 WeakPolarHBondContact OG-CG 3.34Å; S47-E82 PolarHBondContact OG-OE1 2.89Å
48R85.8Confident86.1Confident70 Ų7054.6 Ų54.626%0.26426%0.26SS..  trans-75.4149.3178.1-70.8-179.3-179.8-177.31110.6K43 T44 N46 M52 D81K43-R48 WeakPolarHBondContact CA-O 3.27Å; T44-R48 WeakPolarHBondContact CG2-O 3.37Å; T44-R48 PolarHBondContact N-O 3.44Å; T44-R48 PolarHBondContact OG1-N 2.86Å; T44-R48 PolarHBondContact OG1-O 3.22Å; N46-R48 PolarHBondContact O-N 3Å; R48-M52 HydrophobicContact CB-CB 4.31Å; R48-M52 HydrophobicContact CB-SD 4.09Å; R48-M52 HydrophobicContact CG-SD 4.27Å; R48-D81 HydrophobicContact CG-CB 4.04Å
49T90.4Very high86.8Confident1 Ų150.6 Ų50.61%0.00625%0.252CS..  trans-84.2159.4169.764.60000110.7L51 M52 Y53 C79T49-L51 PolarHBondContact O-N 3.28Å; T49-M52 HydrophobicContact CG2-SD 4.37Å; T49-M52 PolarHBondContact N-SD 3.19Å; T49-M52 WeakPolarHBondContact O-CB 3.49Å; T49-M52 PolarHBondContact O-N 2.87Å; T49-M52 VanDerWaalsContact O-N 3.13Å; T49-M52 WeakPolarHBondContact OG1-CG 3.1Å; T49-M52 PolarHBondContact OG1-N 3.03Å; T49-Y53 PolarHBondContact O-N 3.38Å; T49-C79 HydrophobicContact CG2-CB 3.62Å
50P90.3Very high87.1Confident2 Ų253.4 Ų53.41%0.01327%0.272CS..Hα-helixtrans-60.6-24.5171-20.230.7000112.9F16 I39 I40 S42 Y53 A54 L70F16-P50 HydrophobicContact CD1-CB 4.05Å; F16-P50 HydrophobicContact CD1-CG 4.47Å; F16-P50 HydrophobicContact CE1-CB 3.69Å; F16-P50 HydrophobicContact CE1-CG 4.48Å; I39-P50 HydrophobicContact CG2-CG 4.48Å; I39-P50 WeakPolarHBondContact O-CG 3.29Å; I40-P50 WeakPolarHBondContact O-CD 3.43Å; S42-P50 WeakPolarHBondContact O-CD 3.3Å; P50-Y53 PolarHBondContact O-N 3.25Å; P50-A54 PolarHBondContact O-N 3.13Å; P50-L70 HydrophobicContact CB-CD1 4.23Å; P50-L70 HydrophobicContact CB-CD2 4.35Å; P50-L70 WeakPolarHBondContact O-CD1 3.49Å
51L92.7Very high87.3Confident1 Ų155.1 Ų55.11%0.00529%0.29CS..Hα-helixtrans-65.4-48.3172.3-176.365.1000111.2T49 Y53 A54 V55 T67 L70 L71 A75 V77 A87 L103T49-L51 PolarHBondContact O-N 3.28Å; L51-Y53 VanDerWaalsContact C-N 3.25Å; L51-Y53 PolarHBondContact O-N 3.09Å; L51-A54 WeakPolarHBondContact O-CB 3.24Å; L51-A54 PolarHBondContact O-N 3.43Å; L51-A54 VanDerWaalsContact O-N 3.15Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.48Å; L51-V55 VanDerWaalsContact O-N 3.16Å; L51-T67 HydrophobicContact CD1-CG2 4Å; L51-L70 HydrophobicContact CD1-CB 4.11Å; L51-L71 HydrophobicContact CD1-CD2 4.11Å; L51-L71 HydrophobicContact CD1-CG 4.07Å; L51-L71 HydrophobicContact CD2-CD2 4Å; L51-A75 HydrophobicContact CB-CB 4.37Å; L51-A75 HydrophobicContact CD2-CB 4.12Å; L51-V77 HydrophobicContact CD2-CG1 4.39Å; L51-A87 HydrophobicContact CD2-CB 4.01Å; L51-A87 HydrophobicContact CG-CB 3.99Å; L51-L103 HydrophobicContact CD2-CD2 4.29Å
52M92.2Very high87.6Confident0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-58.4-41171.7-65.3155.8175.600111.1R48 T49 A54 V55 C56 C79 D81 R85 A87R48-M52 HydrophobicContact CB-CB 4.31Å; R48-M52 HydrophobicContact CB-SD 4.09Å; R48-M52 HydrophobicContact CG-SD 4.27Å; T49-M52 HydrophobicContact CG2-SD 4.37Å; T49-M52 PolarHBondContact N-SD 3.19Å; T49-M52 WeakPolarHBondContact O-CB 3.49Å; T49-M52 PolarHBondContact O-N 2.87Å; T49-M52 VanDerWaalsContact O-N 3.13Å; T49-M52 WeakPolarHBondContact OG1-CG 3.1Å; T49-M52 PolarHBondContact OG1-N 3.03Å; M52-A54 VanDerWaalsContact C-N 3.3Å; M52-A54 PolarHBondContact O-N 3.1Å; M52-V55 WeakPolarHBondContact O-CB 3.32Å; M52-V55 PolarHBondContact O-N 3.42Å; M52-V55 VanDerWaalsContact O-N 3.16Å; M52-C56 PolarHBondContact O-N 2.9Å; M52-C56 VanDerWaalsContact O-N 3.11Å; M52-C56 PolarHBondContact O-SG 3.16Å; M52-C56 VanDerWaalsContact O-SG 3.38Å; M52-C79 WeakPolarHBondContact CE-O 3.48Å; M52-D81 HydrophobicContact CE-CB 4.26Å; M52-D81 HydrophobicContact SD-CB 4.02Å; M52-R85 VanDerWaalsContact CE-O 3.24Å; M52-R85 WeakPolarHBondContact CE-O 3.41Å; M52-A87 HydrophobicContact CG-CB 4.14Å
53Y90.5Very high87.9Confident66 Ų6652.7 Ų52.726%0.25927%0.274SS..Hα-helixtrans-61.7-38.1177.3-147.5-80.9000112.5L17 M20 H21 T49 P50 L51 V55 C56 L57L17-Y53 HydrophobicContact CD2-CD1 3.95Å; L17-Y53 HydrophobicContact CD2-CD2 4.12Å; L17-Y53 HydrophobicContact CD2-CG 3.65Å; M20-Y53 HydrophobicContact CE-CD1 4.27Å; H21-Y53 AromaticContact CE1-CE1 3.34Å; H21-Y53 WeakPolarHBondContact CE1-CE1 3.5Å; H21-Y53 AromaticContact CE1-CZ 3.45Å; H21-Y53 VanDerWaalsContact CE1-CZ 3.45Å; H21-Y53 PolarHBondContact CE1-OH 3.06Å; H21-Y53 AromaticContact NE2-CE1 3.49Å; H21-Y53 WeakPolarHBondContact NE2-CE1 3.25Å; H21-Y53 AromaticContact NE2-CZ 3.54Å; H21-Y53 PolarHBondContact NE2-OH 2.83Å; T49-Y53 PolarHBondContact O-N 3.38Å; P50-Y53 PolarHBondContact O-N 3.25Å; L51-Y53 VanDerWaalsContact C-N 3.25Å; L51-Y53 PolarHBondContact O-N 3.09Å; Y53-V55 VanDerWaalsContact C-N 3.33Å; Y53-V55 PolarHBondContact O-N 3.33Å; Y53-C56 PolarHBondContact O-N 3.29Å; Y53-L57 HydrophobicContact CD1-CD2 4.39Å; Y53-L57 HydrophobicContact CE1-CD2 4.36Å; Y53-L57 PolarHBondContact O-N 3.06Å
54A92.4Very high88.5Confident0 Ų049.5 Ų49.50%026%0.264CS..Hα-helixtrans-63.4-39175.600000111.9M20 P50 L51 M52 C56 L57 R63 F66 L70M20-A54 VanDerWaalsContact CE-CA 3.41Å; M20-A54 HydrophobicContact CE-CB 3.57Å; M20-A54 VanDerWaalsContact CE-N 3.35Å; P50-A54 PolarHBondContact O-N 3.13Å; L51-A54 WeakPolarHBondContact O-CB 3.24Å; L51-A54 PolarHBondContact O-N 3.43Å; L51-A54 VanDerWaalsContact O-N 3.15Å; M52-A54 VanDerWaalsContact C-N 3.3Å; M52-A54 PolarHBondContact O-N 3.1Å; A54-C56 VanDerWaalsContact C-N 3.35Å; A54-L57 WeakPolarHBondContact O-CB 3.43Å; A54-L57 PolarHBondContact O-N 3.49Å; A54-R63 WeakPolarHBondContact O-CG 3.47Å; A54-F66 HydrophobicContact CB-CB 3.89Å; A54-L70 HydrophobicContact CB-CD1 3.96Å
55V92.8Very high89.1Confident0 Ų054 Ų540%028%0.281CS..Hα-helixtrans-62.4-40.7175.2177.70000111.4L51 M52 Y53 L57 R63 A87 H90 A91 H96 V99 L103L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.48Å; L51-V55 VanDerWaalsContact O-N 3.16Å; M52-V55 WeakPolarHBondContact O-CB 3.32Å; M52-V55 PolarHBondContact O-N 3.42Å; M52-V55 VanDerWaalsContact O-N 3.16Å; Y53-V55 VanDerWaalsContact C-N 3.33Å; Y53-V55 PolarHBondContact O-N 3.33Å; V55-L57 VanDerWaalsContact C-N 3.27Å; V55-L57 PolarHBondContact O-N 2.91Å; V55-R63 WeakPolarHBondContact O-CD 3.47Å; V55-A87 HydrophobicContact CG2-CB 4.25Å; V55-H90 HydrophobicContact CG1-CB 4.05Å; V55-A91 HydrophobicContact CG1-CB 3.68Å; V55-H96 PolarHBondContact O-CD2 2.89Å; V55-H96 VanDerWaalsContact O-CD2 3.3Å; V55-V99 HydrophobicContact CB-CG1 4.46Å; V55-V99 HydrophobicContact CG1-CG1 4.21Å; V55-V99 HydrophobicContact CG2-CG1 3.76Å; V55-L103 HydrophobicContact CG2-CD1 4.47Å
56C90.8Very high89.9Confident39 Ų3945.2 Ų45.226%0.26424%0.24SC..THydrogen-bonded Turntrans-75.7-3.9-179.8-60.10000115.1M52 Y53 A54M52-C56 PolarHBondContact O-N 2.9Å; M52-C56 VanDerWaalsContact O-N 3.11Å; M52-C56 PolarHBondContact O-SG 3.16Å; M52-C56 VanDerWaalsContact O-SG 3.38Å; Y53-C56 PolarHBondContact O-N 3.29Å; A54-C56 VanDerWaalsContact C-N 3.35Å
57L91.2Very high90.7Very high13 Ų1340.1 Ų40.17%0.06821%0.213CC..  trans-65.7136.8178.2-67.5175.4000111.2M20 Y53 A54 V55 R63 F66M20-L57 HydrophobicContact CB-CD1 4.42Å; M20-L57 HydrophobicContact CE-CD1 4.14Å; Y53-L57 HydrophobicContact CD1-CD2 4.39Å; Y53-L57 HydrophobicContact CE1-CD2 4.36Å; Y53-L57 PolarHBondContact O-N 3.06Å; A54-L57 WeakPolarHBondContact O-CB 3.43Å; A54-L57 PolarHBondContact O-N 3.49Å; V55-L57 VanDerWaalsContact C-N 3.27Å; V55-L57 PolarHBondContact O-N 2.91Å; L57-R63 HydrophobicContact CB-CB 4.16Å; L57-R63 PolarHBondContact O-NH1 3.07Å; L57-F66 HydrophobicContact CD1-CB 4.24Å; L57-F66 HydrophobicContact CD1-CD2 3.4Å; L57-F66 VanDerWaalsContact CD1-CD2 3.4Å; L57-F66 HydrophobicContact CD1-CE2 4.07Å; L57-F66 HydrophobicContact CD1-CG 4.12Å
58Q87.8Confident91.3Very high181 Ų18143.8 Ų43.885%0.84622%0.222SC*.SBendtrans-67.7-46.7-173.7-164.7168.615.900113.1R63Q58-R63 PolarHBondContact O-NH1 3.37Å
59D91.1Very high91.6Very high100 Ų10040.5 Ų40.554%0.53521%0.209SC..  trans-71.3121.3-178.2-65.1-51000112.4G61 T62 R63D59-G61 VanDerWaalsContact C-N 3.25Å; D59-G61 PolarHBondContact O-N 2.86Å; D59-T62 HydrophobicContact CB-CG2 4.03Å; D59-T62 WeakPolarHBondContact CB-OG1 3.15Å; D59-T62 PolarHBondContact O-N 3.35Å; D59-T62 PolarHBondContact O-OG1 3.5Å; D59-R63 WeakPolarHBondContact O-CB 3.43Å; D59-R63 PolarHBondContact O-N 3.15Å
60P88.5Confident91.6Very high77 Ų7740.4 Ų40.450%0.521%0.209SC..Hα-helixtrans-61.1-36.4177.324.6-33.1000112.2T62 T64P60-T62 VanDerWaalsContact C-N 3.33Å; P60-T62 PolarHBondContact O-N 3.5Å; P60-T64 WeakPolarHBondContact O-CB 3.28Å; P60-T64 PolarHBondContact O-N 2.78Å; P60-T64 VanDerWaalsContact O-N 3.15Å; P60-T64 PolarHBondContact O-OG1 3.08Å; P60-T64 VanDerWaalsContact O-OG1 3.09Å
61G88.4Confident91.7Very high41 Ų4140.7 Ų40.742%0.42321%0.211SC..Hα-helixtrans-71.5-20.5-177.900000115D59 K65D59-G61 VanDerWaalsContact C-N 3.25Å; D59-G61 PolarHBondContact O-N 2.86Å; G61-K65 WeakPolarHBondContact O-CD 3.43Å; G61-K65 WeakPolarHBondContact O-CE 3.4Å; G61-K65 VanDerWaalsContact O-CG 3.31Å; G61-K65 WeakPolarHBondContact O-CG 3.33Å
62T91.6Very high91.6Very high26 Ų2644.9 Ų44.916%0.1623%0.23CC..Hα-helixtrans-97-45.1173.170.80000110.4D59 P60 T64 K65 F66D59-T62 HydrophobicContact CB-CG2 4.03Å; D59-T62 WeakPolarHBondContact CB-OG1 3.15Å; D59-T62 PolarHBondContact O-N 3.35Å; D59-T62 PolarHBondContact O-OG1 3.5Å; P60-T62 VanDerWaalsContact C-N 3.33Å; P60-T62 PolarHBondContact O-N 3.5Å; T62-T64 PolarHBondContact O-N 3.5Å; T62-K65 WeakPolarHBondContact O-CA 3.47Å; T62-K65 WeakPolarHBondContact O-CB 3.43Å; T62-K65 PolarHBondContact O-N 2.61Å; T62-F66 VanDerWaalsContact O-CD2 3.23Å; T62-F66 WeakPolarHBondContact O-CD2 3.44Å; T62-F66 PolarHBondContact O-N 3.47Å
63R93.6Very high91.4Very high25 Ų2549 Ų499%0.09425%0.248CC..Hα-helixtrans-44.4-55.4174171.9163.672.6-118.38.6112.8A54 V55 L57 Q58 D59 K65 F66 T67 H96 V99A54-R63 WeakPolarHBondContact O-CG 3.47Å; V55-R63 WeakPolarHBondContact O-CD 3.47Å; L57-R63 HydrophobicContact CB-CB 4.16Å; L57-R63 PolarHBondContact O-NH1 3.07Å; Q58-R63 PolarHBondContact O-NH1 3.37Å; D59-R63 WeakPolarHBondContact O-CB 3.43Å; D59-R63 PolarHBondContact O-N 3.15Å; R63-K65 VanDerWaalsContact C-N 3.32Å; R63-K65 PolarHBondContact O-N 3.18Å; R63-F66 PolarHBondContact O-N 3.1Å; R63-T67 WeakPolarHBondContact O-CB 3.49Å; R63-T67 PolarHBondContact O-N 3.34Å; R63-T67 PolarHBondContact O-OG1 3.48Å; R63-H96 WeakPolarHBondContact CD-CD2 3.46Å; R63-H96 VanDerWaalsContact CZ-CD2 3.46Å; R63-H96 VanDerWaalsContact CZ-NE2 3.34Å; R63-H96 PolarHBondContact NE-CD2 2.68Å; R63-H96 PolarHBondContact NH1-NE2 3.23Å; R63-V99 HydrophobicContact CG-CG2 3.56Å
64T92.9Very high91.2Very high44 Ų4448.3 Ų48.327%0.2726%0.261SS..Hα-helixtrans-63.5-35.9-179.5-59.60000112.1P60 T62 R68 L102P60-T64 WeakPolarHBondContact O-CB 3.28Å; P60-T64 PolarHBondContact O-N 2.78Å; P60-T64 VanDerWaalsContact O-N 3.15Å; P60-T64 PolarHBondContact O-OG1 3.08Å; P60-T64 VanDerWaalsContact O-OG1 3.09Å; T62-T64 PolarHBondContact O-N 3.5Å; T64-R68 VanDerWaalsContact O-CB 3.24Å; T64-R68 WeakPolarHBondContact O-CB 3.3Å; T64-R68 PolarHBondContact O-N 3.19Å; T64-R68 VanDerWaalsContact O-N 3.09Å; T64-L102 HydrophobicContact CG2-CD1 3.74Å
65K93.3Very high91Very high127 Ų12748.7 Ų48.755%0.55226%0.264SS*.Hα-helixtrans-71.9-41.2177.5-66.5175.1-169.51650112.5V25 G61 T62 R63 L69V25-K65 HydrophobicContact CG2-CB 4.19Å; V25-K65 HydrophobicContact CG2-CD 4.39Å; G61-K65 WeakPolarHBondContact O-CD 3.43Å; G61-K65 WeakPolarHBondContact O-CE 3.4Å; G61-K65 VanDerWaalsContact O-CG 3.31Å; G61-K65 WeakPolarHBondContact O-CG 3.33Å; T62-K65 WeakPolarHBondContact O-CA 3.47Å; T62-K65 WeakPolarHBondContact O-CB 3.43Å; T62-K65 PolarHBondContact O-N 2.61Å; R63-K65 VanDerWaalsContact C-N 3.32Å; R63-K65 PolarHBondContact O-N 3.18Å; K65-L69 VanDerWaalsContact O-CB 3.22Å; K65-L69 WeakPolarHBondContact O-CB 3.24Å; K65-L69 PolarHBondContact O-N 2.98Å
66F93.4Very high90.8Very high0 Ų052.5 Ų52.50%029%0.285CS..Hα-helixtrans-71.9-41.8178-74.8-63.2000112.4M20 V25 A28 A54 L57 T62 R63 L69 L70M20-F66 HydrophobicContact CB-CE1 4.44Å; M20-F66 HydrophobicContact CB-CE2 4.41Å; M20-F66 HydrophobicContact CB-CZ 4.33Å; M20-F66 HydrophobicContact CE-CB 4.39Å; M20-F66 HydrophobicContact CG-CD1 3.88Å; M20-F66 HydrophobicContact CG-CE1 3.91Å; M20-F66 HydrophobicContact CG-CG 4.27Å; M20-F66 HydrophobicContact CG-CZ 4.3Å; M20-F66 WeakPolarHBondContact O-CE2 3.47Å; V25-F66 HydrophobicContact CB-CE1 4.3Å; V25-F66 HydrophobicContact CB-CZ 4.38Å; V25-F66 HydrophobicContact CG2-CD1 4.47Å; V25-F66 HydrophobicContact CG2-CE1 3.93Å; V25-F66 HydrophobicContact CG2-CE2 4.03Å; V25-F66 HydrophobicContact CG2-CZ 3.68Å; A28-F66 HydrophobicContact CB-CD1 4.31Å; A28-F66 HydrophobicContact CB-CE1 3.6Å; A54-F66 HydrophobicContact CB-CB 3.89Å; L57-F66 HydrophobicContact CD1-CB 4.24Å; L57-F66 HydrophobicContact CD1-CD2 3.4Å; L57-F66 VanDerWaalsContact CD1-CD2 3.4Å; L57-F66 HydrophobicContact CD1-CE2 4.07Å; L57-F66 HydrophobicContact CD1-CG 4.12Å; T62-F66 VanDerWaalsContact O-CD2 3.23Å; T62-F66 WeakPolarHBondContact O-CD2 3.44Å; T62-F66 PolarHBondContact O-N 3.47Å; R63-F66 PolarHBondContact O-N 3.1Å; F66-L69 HydrophobicContact CD1-CD2 4.47Å; F66-L69 PolarHBondContact O-N 3Å; F66-L70 WeakPolarHBondContact O-CB 3.37Å; F66-L70 WeakPolarHBondContact O-CG 3.48Å; F66-L70 PolarHBondContact O-N 3.26Å
67T93.9Very high90.8Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-58.3-51.9174.1-55.10000110L51 R63 L69 L70 L71 V99 L103L51-T67 HydrophobicContact CD1-CG2 4Å; R63-T67 WeakPolarHBondContact O-CB 3.49Å; R63-T67 PolarHBondContact O-N 3.34Å; R63-T67 PolarHBondContact O-OG1 3.48Å; T67-L69 PolarHBondContact O-N 2.86Å; T67-L70 PolarHBondContact O-N 3.25Å; T67-L71 HydrophobicContact CG2-CD1 3.85Å; T67-L71 VanDerWaalsContact O-CG 3.26Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 3.18Å; T67-V99 HydrophobicContact CG2-CG1 4.24Å; T67-L103 HydrophobicContact CG2-CD2 4.35Å
68R93.1Very high90.7Very high106 Ų10653.2 Ų53.240%0.429%0.286SS..Hα-helixtrans-57.4-47.6175.2171.7171-84.3-85.32112.4T64 L70 L71 E72 L102T64-R68 VanDerWaalsContact O-CB 3.24Å; T64-R68 WeakPolarHBondContact O-CB 3.3Å; T64-R68 PolarHBondContact O-N 3.19Å; T64-R68 VanDerWaalsContact O-N 3.09Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.13Å; R68-L71 PolarHBondContact O-N 3.27Å; R68-E72 WeakPolarHBondContact CD-OE1 3.3Å; R68-E72 VanDerWaalsContact CG-CD 3.41Å; R68-E72 HydrophobicContact CG-CG 4.07Å; R68-E72 WeakPolarHBondContact CG-OE1 3.26Å; R68-E72 IonicContact CZ-OE1 3.85Å; R68-E72 IonicContact NE-OE1 3.13Å; R68-E72 IonicContact NH1-OE1 2.7Å; R68-E72 PolarHBondContact NH1-OE1 3.25Å; R68-E72 VanDerWaalsContact O-CB 3.3Å; R68-E72 WeakPolarHBondContact O-CB 3.47Å; R68-E72 VanDerWaalsContact O-CG 3.26Å; R68-E72 WeakPolarHBondContact O-CG 3.42Å; R68-E72 PolarHBondContact O-N 3.05Å; R68-L102 HydrophobicContact CB-CD1 4.47Å
69L91.9Very high90.8Very high1 Ų145.8 Ų45.81%0.00525%0.254CS..Hα-helixtrans-58.4-41.2179171.662.5000112.8V25 A28 R29 L32 K65 F66 T67 K73V25-L69 HydrophobicContact CG1-CD2 4.31Å; A28-L69 HydrophobicContact CB-CD2 4.39Å; R29-L69 HydrophobicContact CB-CD1 4.15Å; R29-L69 HydrophobicContact CB-CD2 4.12Å; R29-L69 HydrophobicContact CG-CD1 3.98Å; L32-L69 HydrophobicContact CD1-CD1 4.5Å; L32-L69 HydrophobicContact CD1-CD2 4.42Å; L32-L69 HydrophobicContact CD1-CG 4.13Å; K65-L69 VanDerWaalsContact O-CB 3.22Å; K65-L69 WeakPolarHBondContact O-CB 3.24Å; K65-L69 PolarHBondContact O-N 2.98Å; F66-L69 HydrophobicContact CD1-CD2 4.47Å; F66-L69 PolarHBondContact O-N 3Å; T67-L69 PolarHBondContact O-N 2.86Å; L69-K73 HydrophobicContact CD1-CG 4.24Å; L69-K73 WeakPolarHBondContact O-CB 3.3Å; L69-K73 WeakPolarHBondContact O-CG 3.24Å; L69-K73 PolarHBondContact O-N 3.16Å
70L91.9Very high90.8Very high0 Ų045 Ų450%025%0.247CC..Hα-helixtrans-70.9-42.7179.4-76.9163.2000111.5F16 L32 I40 P50 L51 A54 F66 T67 R68 K73 G74 A75F16-L70 HydrophobicContact CE1-CD1 4.41Å; F16-L70 HydrophobicContact CE1-CD2 3.97Å; F16-L70 HydrophobicContact CZ-CD1 4.48Å; F16-L70 HydrophobicContact CZ-CD2 3.8Å; F16-L70 HydrophobicContact CZ-CG 4.3Å; L32-L70 HydrophobicContact CD1-CD2 4.06Å; L32-L70 HydrophobicContact CD2-CD2 4.49Å; I40-L70 HydrophobicContact CG1-CD2 4.48Å; I40-L70 HydrophobicContact CG2-CD2 4.09Å; P50-L70 HydrophobicContact CB-CD1 4.23Å; P50-L70 HydrophobicContact CB-CD2 4.35Å; P50-L70 WeakPolarHBondContact O-CD1 3.49Å; L51-L70 HydrophobicContact CD1-CB 4.11Å; A54-L70 HydrophobicContact CB-CD1 3.96Å; F66-L70 WeakPolarHBondContact O-CB 3.37Å; F66-L70 WeakPolarHBondContact O-CG 3.48Å; F66-L70 PolarHBondContact O-N 3.26Å; T67-L70 PolarHBondContact O-N 3.25Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.13Å; L70-K73 CarbonylContact O-C 3.56Å; L70-K73 PolarHBondContact O-N 3.32Å; L70-G74 PolarHBondContact O-N 3.44Å; L70-A75 HydrophobicContact CB-CB 4.06Å; L70-A75 VanDerWaalsContact O-CB 3.25Å; L70-A75 WeakPolarHBondContact O-CB 2.98Å; L70-A75 PolarHBondContact O-N 3.2Å
71L91.1Very high90.9Very high8 Ų841.7 Ų41.74%0.04223%0.226CC..Hα-helixtrans-63.8-45.6175.7-66.5171.3000111.9L51 T67 R68 K73 G74 V77 L102 L103 F106L51-L71 HydrophobicContact CD1-CD2 4.11Å; L51-L71 HydrophobicContact CD1-CG 4.07Å; L51-L71 HydrophobicContact CD2-CD2 4Å; T67-L71 HydrophobicContact CG2-CD1 3.85Å; T67-L71 VanDerWaalsContact O-CG 3.26Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 3.18Å; R68-L71 PolarHBondContact O-N 3.27Å; L71-K73 PolarHBondContact O-N 3.34Å; L71-K73 VanDerWaalsContact O-N 3.13Å; L71-G74 PolarHBondContact O-N 2.88Å; L71-V77 HydrophobicContact CD2-CG1 4.31Å; L71-V77 HydrophobicContact CD2-CG2 3.62Å; L71-L102 HydrophobicContact CD1-CB 4.48Å; L71-L103 HydrophobicContact CD1-CD2 4.27Å; L71-L103 HydrophobicContact CD2-CD2 4.46Å; L71-F106 HydrophobicContact CB-CD1 3.75Å; L71-F106 HydrophobicContact CB-CD2 3.99Å; L71-F106 HydrophobicContact CB-CE1 3.74Å; L71-F106 HydrophobicContact CB-CE2 3.99Å; L71-F106 HydrophobicContact CB-CG 3.86Å; L71-F106 HydrophobicContact CB-CZ 3.85Å; L71-F106 HydrophobicContact CD1-CB 4.17Å; L71-F106 HydrophobicContact CD1-CD2 3.69Å; L71-F106 HydrophobicContact CD1-CE2 4.2Å; L71-F106 HydrophobicContact CD1-CG 3.95Å; L71-F106 HydrophobicContact CD2-CB 4.03Å; L71-F106 HydrophobicContact CD2-CD1 4.5Å; L71-F106 HydrophobicContact CD2-CG 4.22Å; L71-F106 HydrophobicContact CG-CB 4.5Å; L71-F106 HydrophobicContact CG-CD2 4.36Å; L71-F106 HydrophobicContact CG-CG 4.23Å
72E90.1Very high90.9Very high89 Ų8946 Ų4642%0.41623%0.234SC..Hα-helixtrans-60-20.5173.6-75.4171.9179.800113.5R68 F106R68-E72 WeakPolarHBondContact CD-OE1 3.3Å; R68-E72 VanDerWaalsContact CG-CD 3.41Å; R68-E72 HydrophobicContact CG-CG 4.07Å; R68-E72 WeakPolarHBondContact CG-OE1 3.26Å; R68-E72 IonicContact CZ-OE1 3.85Å; R68-E72 IonicContact NE-OE1 3.13Å; R68-E72 IonicContact NH1-OE1 2.7Å; R68-E72 PolarHBondContact NH1-OE1 3.25Å; R68-E72 VanDerWaalsContact O-CB 3.3Å; R68-E72 WeakPolarHBondContact O-CB 3.47Å; R68-E72 VanDerWaalsContact O-CG 3.26Å; R68-E72 WeakPolarHBondContact O-CG 3.42Å; R68-E72 PolarHBondContact O-N 3.05Å; E72-F106 HydrophobicContact CG-CZ 4.38Å
73K88.2Confident90.8Very high85 Ų8546.9 Ų46.937%0.3724%0.238SC..THydrogen-bonded Turntrans-99.43.9176.8-66.3-76.2171.9178.70113.6L32 D33 I40 L69 L70 L71L32-K73 HydrophobicContact CD1-CB 4.44Å; L32-K73 HydrophobicContact CD1-CG 4.15Å; D33-K73 WeakPolarHBondContact OD1-CE 3.5Å; D33-K73 IonicContact OD1-NZ 3.16Å; D33-K73 PolarHBondContact OD1-NZ 3.21Å; D33-K73 IonicContact OD2-NZ 2.65Å; I40-K73 HydrophobicContact CD1-CB 3.57Å; I40-K73 VanDerWaalsContact CD1-O 3.24Å; I40-K73 WeakPolarHBondContact CD1-O 3.41Å; L69-K73 HydrophobicContact CD1-CG 4.24Å; L69-K73 WeakPolarHBondContact O-CB 3.3Å; L69-K73 WeakPolarHBondContact O-CG 3.24Å; L69-K73 PolarHBondContact O-N 3.16Å; L70-K73 CarbonylContact O-C 3.56Å; L70-K73 PolarHBondContact O-N 3.32Å; L71-K73 PolarHBondContact O-N 3.34Å; L71-K73 VanDerWaalsContact O-N 3.13Å
74G86.1Confident90.6Very high52 Ų5246.2 Ų46.254%0.53624%0.239SC..THydrogen-bonded Turntrans90.932.8175.500000115.1L70 L71 N76L70-G74 PolarHBondContact O-N 3.44Å; L71-G74 PolarHBondContact O-N 2.88Å; G74-N76 PolarHBondContact O-N 3.48Å
75A89.3Confident90.5Very high9 Ų945.6 Ų45.67%0.07423%0.232CC..  trans-62.4132.2170.200000111.7I40 L51 L70 V77I40-A75 HydrophobicContact CG2-CB 3.44Å; I40-A75 VanDerWaalsContact CG2-CB 3.44Å; L51-A75 HydrophobicContact CB-CB 4.37Å; L51-A75 HydrophobicContact CD2-CB 4.12Å; L70-A75 HydrophobicContact CB-CB 4.06Å; L70-A75 VanDerWaalsContact O-CB 3.25Å; L70-A75 WeakPolarHBondContact O-CB 2.98Å; L70-A75 PolarHBondContact O-N 3.2Å; A75-V77 PolarHBondContact O-N 2.99Å
76N88.1Confident90.5Very high79 Ų7939.6 Ų39.642%0.42221%0.206SC..  trans-74.5109.2173.2179.52.6000109.1N41 G74 N78 C79N41-N76 PolarHBondContact OD1-N 3.13Å; G74-N76 PolarHBondContact O-N 3.48Å; N76-N78 PolarHBondContact O-N 2.97Å; N76-N78 PolarHBondContact OD1-N 2.99Å; N76-N78 VanDerWaalsContact OD1-N 3.1Å; N76-C79 PolarHBondContact O-N 3.12Å
77V90.2Very high90.5Very high13 Ų1339.6 Ų39.68%0.07921%0.206CC..THydrogen-bonded Turntrans-65.3-29.1-174.7-156.40000112.3L51 L71 A75 L103 F106 A108L51-V77 HydrophobicContact CD2-CG1 4.39Å; L71-V77 HydrophobicContact CD2-CG1 4.31Å; L71-V77 HydrophobicContact CD2-CG2 3.62Å; A75-V77 PolarHBondContact O-N 2.99Å; V77-L103 HydrophobicContact CG1-CB 4.36Å; V77-L103 HydrophobicContact CG1-CD2 3.58Å; V77-F106 HydrophobicContact CG2-CB 4.29Å; V77-F106 WeakPolarHBondContact CG2-O 3.25Å; V77-A108 HydrophobicContact CG1-CB 3.65Å
78N89.5Confident90.6Very high54 Ų5439.7 Ų39.729%0.28921%0.207SC..THydrogen-bonded Turntrans-101.312.1-171.4-57-19.9000112.7N76 A108 D109N76-N78 PolarHBondContact O-N 2.97Å; N76-N78 PolarHBondContact OD1-N 2.99Å; N76-N78 VanDerWaalsContact OD1-N 3.1Å; N78-A108 WeakPolarHBondContact OD1-CA 3.26Å; N78-D109 VanDerWaalsContact ND2-CB 3.34Å; N78-D109 WeakPolarHBondContact ND2-CB 3.47Å; N78-D109 PolarHBondContact OD1-N 2.88Å
79C90.1Very high90.6Very high26 Ų2634.7 Ų34.718%0.17619%0.188CC..  trans-57.2144.1166.7-82.40000111T49 M52 N76T49-C79 HydrophobicContact CG2-CB 3.62Å; M52-C79 WeakPolarHBondContact CE-O 3.48Å; N76-C79 PolarHBondContact O-N 3.12Å
80Q90.7Very high90.6Very high82 Ų8235 Ų3538%0.38319%0.189SC..BIsolated β-bridgetrans-112.9145.5178.3-66.5177.6-71.300111.8K43 G84 R85 T86 V112 S113K43-Q80 WeakPolarHBondContact CE-O 3.23Å; K43-Q80 PolarHBondContact NZ-O 2.99Å; Q80-G84 WeakPolarHBondContact CG-O 3.46Å; Q80-G84 PolarHBondContact NE2-O 3.05Å; Q80-R85 VanDerWaalsContact CA-O 3.32Å; Q80-R85 WeakPolarHBondContact CA-O 3.22Å; Q80-T86 HydrophobicContact CG-CG2 4.11Å; Q80-V112 HydrophobicContact CG-CG1 4.16Å; Q80-S113 PolarHBondContact NE2-O 2.65Å
81D90.7Very high90.8Very high9 Ų935 Ų355%0.04819%0.189CC..  trans-83.8-160170.262.915.7000111.9R48 M52 D83 G84 R85 H90R48-D81 HydrophobicContact CG-CB 4.04Å; M52-D81 HydrophobicContact CE-CB 4.26Å; M52-D81 HydrophobicContact SD-CB 4.02Å; D81-D83 PolarHBondContact OD1-N 2.94Å; D81-D83 VanDerWaalsContact OD1-N 3.16Å; D81-G84 PolarHBondContact O-N 2.84Å; D81-G84 PolarHBondContact OD1-N 3.06Å; D81-R85 PolarHBondContact N-O 3.19Å; D81-R85 WeakPolarHBondContact OD1-CB 3.44Å; D81-R85 PolarHBondContact OD1-N 3.45Å; D81-H90 IonicContact OD2-CD2 2.61Å; D81-H90 IonicContact OD2-CE1 3.79Å; D81-H90 IonicContact OD2-NE2 2.92Å; D81-H90 PolarHBondContact OD2-NE2 2.82Å
82E89.8Confident90.9Very high130 Ų13034.6 Ų34.661%0.60719%0.187SC*.THydrogen-bonded Turntrans-71.7-31.4-178.9-48.1-168160.700112.3S47 G84S47-E82 VanDerWaalsContact CB-OE1 3.22Å; S47-E82 WeakPolarHBondContact CB-OE1 3.26Å; S47-E82 PolarHBondContact N-OE1 2.95Å; S47-E82 WeakPolarHBondContact OG-CG 3.34Å; S47-E82 PolarHBondContact OG-OE1 2.89Å; E82-G84 PolarHBondContact O-N 2.96Å
83D88.8Confident91.1Very high45 Ų4532.7 Ų32.724%0.24118%0.179CC..THydrogen-bonded Turntrans-77.8-7.4176.6-57-48.5000112D81 R85 D114 A115 W116D81-D83 PolarHBondContact OD1-N 2.94Å; D81-D83 VanDerWaalsContact OD1-N 3.16Å; D83-R85 VanDerWaalsContact C-N 3.31Å; D83-R85 HydrophobicContact CB-CG 4.13Å; D83-R85 IonicContact OD2-CZ 3.67Å; D83-R85 IonicContact OD2-NE 2.74Å; D83-R85 PolarHBondContact OD2-NE 3.07Å; D83-R85 IonicContact OD2-NH2 3.92Å; D83-R85 PolarHBondContact OD2-NH2 3.07Å; D83-D114 WeakPolarHBondContact O-CB 3.28Å; D83-A115 VanDerWaalsContact O-CB 3.3Å; D83-A115 WeakPolarHBondContact O-CB 3.44Å; D83-A115 PolarHBondContact O-N 2.95Å; D83-W116 HydrophobicContact CB-CH2 4.14Å; D83-W116 HydrophobicContact CB-CZ3 3.85Å; D83-W116 WeakPolarHBondContact OD1-CH2 3.41Å
84G89.6Confident91.3Very high11 Ų1133 Ų3311%0.11318%0.182CC..SBendtrans80.65.2-169.300000114.1Q80 D81 E82Q80-G84 WeakPolarHBondContact CG-O 3.46Å; Q80-G84 PolarHBondContact NE2-O 3.05Å; D81-G84 PolarHBondContact O-N 2.84Å; D81-G84 PolarHBondContact OD1-N 3.06Å; E82-G84 PolarHBondContact O-N 2.96Å
85R91.7Very high91.6Very high31 Ų3131.5 Ų31.512%0.11717%0.167CC..  trans-74.3142.7-179.1-71.9-173.2-83.6-164.8-11.4111.2M52 Q80 D81 D83 E93 D114 Y123M52-R85 VanDerWaalsContact CE-O 3.24Å; M52-R85 WeakPolarHBondContact CE-O 3.41Å; Q80-R85 VanDerWaalsContact CA-O 3.32Å; Q80-R85 WeakPolarHBondContact CA-O 3.22Å; D81-R85 PolarHBondContact N-O 3.19Å; D81-R85 WeakPolarHBondContact OD1-CB 3.44Å; D81-R85 PolarHBondContact OD1-N 3.45Å; D83-R85 VanDerWaalsContact C-N 3.31Å; D83-R85 HydrophobicContact CB-CG 4.13Å; D83-R85 IonicContact OD2-CZ 3.67Å; D83-R85 IonicContact OD2-NE 2.74Å; D83-R85 PolarHBondContact OD2-NE 3.07Å; D83-R85 IonicContact OD2-NH2 3.92Å; D83-R85 PolarHBondContact OD2-NH2 3.07Å; R85-E93 IonicContact CZ-OE2 2.91Å; R85-E93 VanDerWaalsContact NH1-CD 3.32Å; R85-E93 IonicContact NH1-OE1 2.78Å; R85-E93 PolarHBondContact NH1-OE1 3.02Å; R85-E93 VanDerWaalsContact NH1-OE1 3.13Å; R85-E93 IonicContact NH1-OE2 3.2Å; R85-E93 PolarHBondContact NH1-OE2 3.32Å; R85-D114 HydrophobicContact CG-CB 4.11Å; R85-Y123 WeakPolarHBondContact CD-OH 3.48Å; R85-Y123 HydrophobicContact CG-CE2 4.28Å
86T93.1Very high91.8Very high1 Ų132.7 Ų32.71%0.00617%0.171CC..BIsolated β-bridgetrans-94.5168.8171.665.50000111.6Q80 L88 S89 H90 V112Q80-T86 HydrophobicContact CG-CG2 4.11Å; T86-L88 PolarHBondContact O-N 2.63Å; T86-L88 PolarHBondContact OG1-N 3.42Å; T86-S89 PolarHBondContact O-N 3.2Å; T86-S89 VanDerWaalsContact O-N 3.1Å; T86-S89 PolarHBondContact OG1-N 2.93Å; T86-S89 PolarHBondContact OG1-OG 2.84Å; T86-H90 PolarHBondContact O-CD2 3.47Å; T86-H90 VanDerWaalsContact O-CD2 3.3Å; T86-H90 PolarHBondContact O-N 2.83Å; T86-V112 HydrophobicContact CG2-CB 3.88Å; T86-V112 HydrophobicContact CG2-CG1 3.5Å; T86-V112 HydrophobicContact CG2-CG2 4.47Å
87A93.6Very high92Very high1 Ų130.5 Ų30.51%0.00816%0.159CC..Hα-helixtrans-57.4-27.917100000112.8L51 M52 V55 A91 L103L51-A87 HydrophobicContact CD2-CB 4.01Å; L51-A87 HydrophobicContact CG-CB 3.99Å; M52-A87 HydrophobicContact CG-CB 4.14Å; V55-A87 HydrophobicContact CG2-CB 4.25Å; A87-A91 WeakPolarHBondContact O-CB 3.44Å; A87-A91 PolarHBondContact O-N 3.24Å; A87-A91 VanDerWaalsContact O-N 3.11Å; A87-L103 HydrophobicContact CB-CD1 4.4Å; A87-L103 HydrophobicContact CB-CD2 4.28Å; A87-L103 WeakPolarHBondContact O-CD1 3.41Å
88L94.2Very high92Very high2 Ų233.9 Ų33.91%0.0118%0.177CC..Hα-helixtrans-69.8-44.5174.1-173.666.5000111.5T86 H90 A91 C92 V100 L103 V104 A108 P110 A120T86-L88 PolarHBondContact O-N 2.63Å; T86-L88 PolarHBondContact OG1-N 3.42Å; L88-H90 PolarHBondContact O-N 3.2Å; L88-A91 PolarHBondContact O-N 3.26Å; L88-A91 VanDerWaalsContact O-N 3.15Å; L88-C92 WeakPolarHBondContact O-CB 3.38Å; L88-C92 PolarHBondContact O-N 3.42Å; L88-C92 PolarHBondContact O-SG 2.89Å; L88-V100 HydrophobicContact CD1-CG1 4.08Å; L88-L103 HydrophobicContact CB-CD1 4.4Å; L88-L103 HydrophobicContact CD1-CB 4.09Å; L88-L103 HydrophobicContact CD1-CD1 4.23Å; L88-V104 HydrophobicContact CD1-CG2 4.39Å; L88-A108 HydrophobicContact CB-CB 4.4Å; L88-A108 HydrophobicContact CD2-CB 4.11Å; L88-P110 HydrophobicContact CD2-CB 4.1Å; L88-A120 HydrophobicContact CB-CB 4.48Å; L88-A120 HydrophobicContact CD2-CB 4.02Å; L88-A120 HydrophobicContact CG-CB 3.86Å
89S93.4Very high92.3Very high1 Ų131.4 Ų31.41%0.00716%0.163CC..Hα-helixtrans-57.4-48.5176.3-56.10000111.7T86 A91 C92 E93T86-S89 PolarHBondContact O-N 3.2Å; T86-S89 VanDerWaalsContact O-N 3.1Å; T86-S89 PolarHBondContact OG1-N 2.93Å; T86-S89 PolarHBondContact OG1-OG 2.84Å; S89-A91 VanDerWaalsContact C-N 3.33Å; S89-A91 PolarHBondContact O-N 3.34Å; S89-C92 PolarHBondContact O-N 3.26Å; S89-E93 WeakPolarHBondContact O-CB 3.49Å; S89-E93 PolarHBondContact O-N 2.83Å
90H93.6Very high92.4Very high6 Ų630.1 Ų30.13%0.02816%0.155CC..Hα-helixtrans-59.9-39175.3-74.4-76.6000112.7V55 D81 T86 L88 C92 M94V55-H90 HydrophobicContact CG1-CB 4.05Å; D81-H90 IonicContact OD2-CD2 2.61Å; D81-H90 IonicContact OD2-CE1 3.79Å; D81-H90 IonicContact OD2-NE2 2.92Å; D81-H90 PolarHBondContact OD2-NE2 2.82Å; T86-H90 PolarHBondContact O-CD2 3.47Å; T86-H90 VanDerWaalsContact O-CD2 3.3Å; T86-H90 PolarHBondContact O-N 2.83Å; L88-H90 PolarHBondContact O-N 3.2Å; H90-C92 VanDerWaalsContact C-N 3.31Å; H90-C92 PolarHBondContact O-N 3.2Å; H90-M94 WeakPolarHBondContact O-CB 3.34Å; H90-M94 VanDerWaalsContact O-CG 3.27Å; H90-M94 WeakPolarHBondContact O-CG 3.4Å; H90-M94 PolarHBondContact O-N 2.81Å; H90-M94 VanDerWaalsContact O-N 3.16Å
91A94.4Very high92.4Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-69-31.1178.300000112.6V55 A87 L88 S89 G95 H96 V99 V100 L103V55-A91 HydrophobicContact CG1-CB 3.68Å; A87-A91 WeakPolarHBondContact O-CB 3.44Å; A87-A91 PolarHBondContact O-N 3.24Å; A87-A91 VanDerWaalsContact O-N 3.11Å; L88-A91 PolarHBondContact O-N 3.26Å; L88-A91 VanDerWaalsContact O-N 3.15Å; S89-A91 VanDerWaalsContact C-N 3.33Å; S89-A91 PolarHBondContact O-N 3.34Å; A91-G95 PolarHBondContact O-N 3.37Å; A91-H96 PolarHBondContact O-N 3.01Å; A91-V99 HydrophobicContact CB-CB 4.29Å; A91-V99 HydrophobicContact CB-CG1 3.69Å; A91-V100 HydrophobicContact CB-CG2 3.72Å; A91-L103 HydrophobicContact CB-CD1 3.84Å
92C94.2Very high92.5Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-77.8-41.7176.9-67.10000112.6L88 S89 H90 M94 G95 A120 A124 H129 V132L88-C92 WeakPolarHBondContact O-CB 3.38Å; L88-C92 PolarHBondContact O-N 3.42Å; L88-C92 PolarHBondContact O-SG 2.89Å; S89-C92 PolarHBondContact O-N 3.26Å; H90-C92 VanDerWaalsContact C-N 3.31Å; H90-C92 PolarHBondContact O-N 3.2Å; C92-M94 VanDerWaalsContact C-N 3.27Å; C92-M94 PolarHBondContact O-N 3.4Å; C92-G95 PolarHBondContact O-N 3.34Å; C92-A120 HydrophobicContact CB-CB 4.42Å; C92-A120 WeakPolarHBondContact CB-O 3.46Å; C92-A124 HydrophobicContact CB-CB 4.11Å; C92-H129 PolarHBondContact O-CD2 3.38Å; C92-V132 HydrophobicContact CB-CG1 4.47Å
93E93.8Very high92.6Very high50 Ų5023 Ų2323%0.23412%0.12CC..Hα-helixtrans-59.1-37.4174.3-173.2174.5174.400111.8R85 S89 Y123 S127R85-E93 IonicContact CZ-OE2 2.91Å; R85-E93 VanDerWaalsContact NH1-CD 3.32Å; R85-E93 IonicContact NH1-OE1 2.78Å; R85-E93 PolarHBondContact NH1-OE1 3.02Å; R85-E93 VanDerWaalsContact NH1-OE1 3.13Å; R85-E93 IonicContact NH1-OE2 3.2Å; R85-E93 PolarHBondContact NH1-OE2 3.32Å; S89-E93 WeakPolarHBondContact O-CB 3.49Å; S89-E93 PolarHBondContact O-N 2.83Å; E93-Y123 HydrophobicContact CB-CD1 3.81Å; E93-Y123 HydrophobicContact CB-CG 4.29Å; E93-Y123 HydrophobicContact CG-CD1 3.81Å; E93-Y123 HydrophobicContact CG-CE1 4.33Å; E93-Y123 WeakPolarHBondContact OE2-CE1 3.47Å; E93-S127 VanDerWaalsContact O-CB 3.29Å; E93-S127 WeakPolarHBondContact O-CB 3.4Å; E93-S127 PolarHBondContact O-OG 2.9Å
94M92.3Very high92.6Very high92 Ų9221.8 Ų21.845%0.45311%0.114SC..THydrogen-bonded Turntrans-93.91.3179.8-57.8-71.6-101.600114H90 C92 H96H90-M94 WeakPolarHBondContact O-CB 3.34Å; H90-M94 VanDerWaalsContact O-CG 3.27Å; H90-M94 WeakPolarHBondContact O-CG 3.4Å; H90-M94 PolarHBondContact O-N 2.81Å; H90-M94 VanDerWaalsContact O-N 3.16Å; C92-M94 VanDerWaalsContact C-N 3.27Å; C92-M94 PolarHBondContact O-N 3.4Å; M94-H96 VanDerWaalsContact C-N 3.29Å; M94-H96 PolarHBondContact O-CE1 2.96Å; M94-H96 PolarHBondContact O-N 3.31Å; M94-H96 PolarHBondContact O-ND1 3.3Å
95G91.8Very high92.5Very high20 Ų2024.8 Ų24.821%0.20613%0.126CC..THydrogen-bonded Turntrans6920.8175.700000115.4A91 C92 L97 H129A91-G95 PolarHBondContact O-N 3.37Å; C92-G95 PolarHBondContact O-N 3.34Å; G95-L97 VanDerWaalsContact C-N 3.31Å; G95-L97 PolarHBondContact O-N 2.76Å; G95-H129 WeakPolarHBondContact CA-CD2 3.3Å; G95-H129 VanDerWaalsContact CA-CG 3.44Å; G95-H129 WeakPolarHBondContact CA-NE2 3.23Å; G95-H129 PolarHBondContact N-CD2 3.45Å; G95-H129 PolarHBondContact N-NE2 2.93Å
96H93.6Very high92.3Very high33 Ų3326.7 Ų26.715%0.15314%0.135CC..  trans-81.670.6-170.2-67.1-7.3000112.2V55 R63 A91 M94 D98 V99 V100V55-H96 PolarHBondContact O-CD2 2.89Å; V55-H96 VanDerWaalsContact O-CD2 3.3Å; R63-H96 WeakPolarHBondContact CD-CD2 3.46Å; R63-H96 VanDerWaalsContact CZ-CD2 3.46Å; R63-H96 VanDerWaalsContact CZ-NE2 3.34Å; R63-H96 PolarHBondContact NE-CD2 2.68Å; R63-H96 PolarHBondContact NH1-NE2 3.23Å; A91-H96 PolarHBondContact O-N 3.01Å; M94-H96 VanDerWaalsContact C-N 3.29Å; M94-H96 PolarHBondContact O-CE1 2.96Å; M94-H96 PolarHBondContact O-N 3.31Å; M94-H96 PolarHBondContact O-ND1 3.3Å; H96-D98 VanDerWaalsContact C-N 3.28Å; H96-D98 PolarHBondContact O-N 3.38Å; H96-D98 VanDerWaalsContact O-N 3.09Å; H96-V99 HydrophobicContact CB-CB 3.99Å; H96-V99 HydrophobicContact CB-CG2 4.08Å; H96-V99 WeakPolarHBondContact O-CA 3.33Å; H96-V99 WeakPolarHBondContact O-CB 3.26Å; H96-V99 PolarHBondContact O-N 3.15Å; H96-V100 PolarHBondContact O-N 3.38Å
97L91.9Very high92Very high33 Ų3331.4 Ų31.417%0.17316%0.16CC..Hα-helixtrans-47.6-42.1-173.618063.1000114.7G95 V99 V100 K101 Q131 V132 F135G95-L97 VanDerWaalsContact C-N 3.31Å; G95-L97 PolarHBondContact O-N 2.76Å; L97-V99 VanDerWaalsContact C-N 3.32Å; L97-V99 PolarHBondContact O-N 2.88Å; L97-V100 PolarHBondContact O-N 3.34Å; L97-K101 WeakPolarHBondContact O-CG 3.18Å; L97-K101 PolarHBondContact O-N 3.16Å; L97-Q131 HydrophobicContact CD2-CB 4.25Å; L97-V132 HydrophobicContact CB-CG2 3.91Å; L97-V132 HydrophobicContact CD1-CG2 4.17Å; L97-F135 HydrophobicContact CD1-CB 3.92Å; L97-F135 HydrophobicContact CD1-CG 4.21Å
98D92Very high91.7Very high85 Ų8531.7 Ų31.746%0.45516%0.163SC..Hα-helixtrans-71.7-28.7-178.9-55.2-40.5000113.2H96 K101 L102H96-D98 VanDerWaalsContact C-N 3.28Å; H96-D98 PolarHBondContact O-N 3.38Å; H96-D98 VanDerWaalsContact O-N 3.09Å; D98-K101 IonicContact OD1-NZ 2.78Å; D98-K101 PolarHBondContact OD1-NZ 3.38Å; D98-L102 WeakPolarHBondContact O-CG 3.4Å; D98-L102 PolarHBondContact O-N 3.16Å; D98-L102 VanDerWaalsContact O-N 3.14Å
99V94.1Very high91.2Very high1 Ų134.8 Ų34.81%0.00618%0.179CC..Hα-helixtrans-73.2-42.7171175.30000110V55 R63 T67 A91 H96 L97 K101 L102 L103V55-V99 HydrophobicContact CB-CG1 4.46Å; V55-V99 HydrophobicContact CG1-CG1 4.21Å; V55-V99 HydrophobicContact CG2-CG1 3.76Å; R63-V99 HydrophobicContact CG-CG2 3.56Å; T67-V99 HydrophobicContact CG2-CG1 4.24Å; A91-V99 HydrophobicContact CB-CB 4.29Å; A91-V99 HydrophobicContact CB-CG1 3.69Å; H96-V99 HydrophobicContact CB-CB 3.99Å; H96-V99 HydrophobicContact CB-CG2 4.08Å; H96-V99 WeakPolarHBondContact O-CA 3.33Å; H96-V99 WeakPolarHBondContact O-CB 3.26Å; H96-V99 PolarHBondContact O-N 3.15Å; L97-V99 VanDerWaalsContact C-N 3.32Å; L97-V99 PolarHBondContact O-N 2.88Å; V99-K101 VanDerWaalsContact C-N 3.32Å; V99-K101 PolarHBondContact O-N 3.11Å; V99-L102 PolarHBondContact O-N 2.9Å; V99-L102 VanDerWaalsContact O-N 3.17Å; V99-L103 HydrophobicContact CG1-CD1 3.74Å; V99-L103 HydrophobicContact CG1-CG 4.17Å; V99-L103 WeakPolarHBondContact O-CB 3.42Å; V99-L103 VanDerWaalsContact O-CG 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.19Å; V99-L103 PolarHBondContact O-N 3.36Å
100V93.1Very high90.5Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-60-42.2175175.60000111L88 A91 H96 L97 L103 V104 V132 F135 L136L88-V100 HydrophobicContact CD1-CG1 4.08Å; A91-V100 HydrophobicContact CB-CG2 3.72Å; H96-V100 PolarHBondContact O-N 3.38Å; L97-V100 PolarHBondContact O-N 3.34Å; V100-L103 PolarHBondContact O-N 3.4Å; V100-V104 WeakPolarHBondContact O-CB 3Å; V100-V104 WeakPolarHBondContact O-CG2 3.22Å; V100-V104 PolarHBondContact O-N 2.9Å; V100-V132 HydrophobicContact CG1-CG1 4.33Å; V100-V132 HydrophobicContact CG2-CG1 3.99Å; V100-F135 HydrophobicContact CG1-CD1 3.77Å; V100-F135 HydrophobicContact CG1-CE1 3.97Å; V100-L136 HydrophobicContact CG1-CD2 3.79Å; V100-L136 HydrophobicContact CG1-CG 4.34Å
101K90.9Very high89.9Confident60 Ų6037.2 Ų37.226%0.26119%0.193SC..Hα-helixtrans-57.9-48.5172-71.5169.1-168.1152.60111.9L97 D98 V99 V104 Q105 F135L97-K101 WeakPolarHBondContact O-CG 3.18Å; L97-K101 PolarHBondContact O-N 3.16Å; D98-K101 IonicContact OD1-NZ 2.78Å; D98-K101 PolarHBondContact OD1-NZ 3.38Å; V99-K101 VanDerWaalsContact C-N 3.32Å; V99-K101 PolarHBondContact O-N 3.11Å; K101-V104 PolarHBondContact O-N 2.82Å; K101-Q105 WeakPolarHBondContact O-CG 3.3Å; K101-Q105 PolarHBondContact O-N 3.36Å; K101-F135 HydrophobicContact CB-CZ 4.25Å; K101-F135 HydrophobicContact CG-CD2 4.23Å; K101-F135 HydrophobicContact CG-CE1 4.36Å; K101-F135 HydrophobicContact CG-CE2 3.73Å; K101-F135 HydrophobicContact CG-CZ 3.81Å
102L92.1Very high89.5Confident11 Ų1138.6 Ų38.66%0.05820%0.201CC..Hα-helixtrans-62.8-45.8178.2-79.6170.2000112.4T64 R68 L71 D98 V99 V104 Q105 F106T64-L102 HydrophobicContact CG2-CD1 3.74Å; R68-L102 HydrophobicContact CB-CD1 4.47Å; L71-L102 HydrophobicContact CD1-CB 4.48Å; D98-L102 WeakPolarHBondContact O-CG 3.4Å; D98-L102 PolarHBondContact O-N 3.16Å; D98-L102 VanDerWaalsContact O-N 3.14Å; V99-L102 PolarHBondContact O-N 2.9Å; V99-L102 VanDerWaalsContact O-N 3.17Å; L102-V104 VanDerWaalsContact C-N 3.33Å; L102-V104 PolarHBondContact O-N 3.16Å; L102-Q105 WeakPolarHBondContact O-CB 3.49Å; L102-Q105 PolarHBondContact O-N 2.86Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 PolarHBondContact O-N 3.17Å
103L91.5Very high89.3Confident0 Ų040.5 Ų40.50%021%0.214CC..Hα-helixtrans-63.1-41-179.5-68.1170.2000110.9L51 V55 T67 L71 V77 A87 L88 A91 V99 V100 F106 N107 A108L51-L103 HydrophobicContact CD2-CD2 4.29Å; V55-L103 HydrophobicContact CG2-CD1 4.47Å; T67-L103 HydrophobicContact CG2-CD2 4.35Å; L71-L103 HydrophobicContact CD1-CD2 4.27Å; L71-L103 HydrophobicContact CD2-CD2 4.46Å; V77-L103 HydrophobicContact CG1-CB 4.36Å; V77-L103 HydrophobicContact CG1-CD2 3.58Å; A87-L103 HydrophobicContact CB-CD1 4.4Å; A87-L103 HydrophobicContact CB-CD2 4.28Å; A87-L103 WeakPolarHBondContact O-CD1 3.41Å; L88-L103 HydrophobicContact CB-CD1 4.4Å; L88-L103 HydrophobicContact CD1-CB 4.09Å; L88-L103 HydrophobicContact CD1-CD1 4.23Å; A91-L103 HydrophobicContact CB-CD1 3.84Å; V99-L103 HydrophobicContact CG1-CD1 3.74Å; V99-L103 HydrophobicContact CG1-CG 4.17Å; V99-L103 WeakPolarHBondContact O-CB 3.42Å; V99-L103 VanDerWaalsContact O-CG 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.19Å; V99-L103 PolarHBondContact O-N 3.36Å; V100-L103 PolarHBondContact O-N 3.4Å; L103-F106 CarbonylContact O-C 3.42Å; L103-F106 PolarHBondContact O-N 3.27Å; L103-N107 PolarHBondContact O-N 3.25Å; L103-A108 HydrophobicContact CB-CB 4Å; L103-A108 WeakPolarHBondContact O-CB 3.31Å; L103-A108 PolarHBondContact O-N 3.29Å
104V88.8Confident89.1Confident19 Ų1938.6 Ų38.612%0.11521%0.206CC..Hα-helixtrans-69.1-34.7175.1172.60000112.5L88 V100 K101 L102 F106 N107 F135 A139L88-V104 HydrophobicContact CD1-CG2 4.39Å; V100-V104 WeakPolarHBondContact O-CB 3Å; V100-V104 WeakPolarHBondContact O-CG2 3.22Å; V100-V104 PolarHBondContact O-N 2.9Å; K101-V104 PolarHBondContact O-N 2.82Å; L102-V104 VanDerWaalsContact C-N 3.33Å; L102-V104 PolarHBondContact O-N 3.16Å; V104-F106 VanDerWaalsContact C-N 3.27Å; V104-F106 PolarHBondContact O-N 3.04Å; V104-N107 PolarHBondContact O-N 2.99Å; V104-F135 HydrophobicContact CB-CE1 4.13Å; V104-F135 HydrophobicContact CB-CZ 4.42Å; V104-F135 HydrophobicContact CG1-CE1 4.38Å; V104-F135 HydrophobicContact CG1-CZ 4.45Å; V104-F135 HydrophobicContact CG2-CE1 4.05Å; V104-A139 HydrophobicContact CG1-CB 4.45Å
105Q88.6Confident89.1Confident75 Ų7537.8 Ų37.835%0.3521%0.213SC..Hα-helixtrans-59.6-36.5170.2-79.8175.4-20.800112.4K101 L102 N107 V190K101-Q105 WeakPolarHBondContact O-CG 3.3Å; K101-Q105 PolarHBondContact O-N 3.36Å; L102-Q105 WeakPolarHBondContact O-CB 3.49Å; L102-Q105 PolarHBondContact O-N 2.86Å; Q105-N107 VanDerWaalsContact C-N 3.29Å; Q105-N107 PolarHBondContact O-N 3.04Å; Q105-V190 HydrophobicContact CG-CB 4.24Å; Q105-V190 HydrophobicContact CG-CG1 3.79Å; Q105-V190 HydrophobicContact CG-CG2 3.89Å
106F87.8Confident89Confident70 Ų7043.4 Ų43.431%0.30723%0.228SC..THydrogen-bonded Turntrans-9228177.4-78.4-96.2000113.2L71 E72 V77 L102 L103 V104 A108L71-F106 HydrophobicContact CB-CD1 3.75Å; L71-F106 HydrophobicContact CB-CD2 3.99Å; L71-F106 HydrophobicContact CB-CE1 3.74Å; L71-F106 HydrophobicContact CB-CE2 3.99Å; L71-F106 HydrophobicContact CB-CG 3.86Å; L71-F106 HydrophobicContact CB-CZ 3.85Å; L71-F106 HydrophobicContact CD1-CB 4.17Å; L71-F106 HydrophobicContact CD1-CD2 3.69Å; L71-F106 HydrophobicContact CD1-CE2 4.2Å; L71-F106 HydrophobicContact CD1-CG 3.95Å; L71-F106 HydrophobicContact CD2-CB 4.03Å; L71-F106 HydrophobicContact CD2-CD1 4.5Å; L71-F106 HydrophobicContact CD2-CG 4.22Å; L71-F106 HydrophobicContact CG-CB 4.5Å; L71-F106 HydrophobicContact CG-CD2 4.36Å; L71-F106 HydrophobicContact CG-CG 4.23Å; E72-F106 HydrophobicContact CG-CZ 4.38Å; V77-F106 HydrophobicContact CG2-CB 4.29Å; V77-F106 WeakPolarHBondContact CG2-O 3.25Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 PolarHBondContact O-N 3.17Å; L103-F106 CarbonylContact O-C 3.42Å; L103-F106 PolarHBondContact O-N 3.27Å; V104-F106 VanDerWaalsContact C-N 3.27Å; V104-F106 PolarHBondContact O-N 3.04Å; F106-A108 PolarHBondContact O-N 3.41Å
107N85.4Confident88.8Confident101 Ų10142.6 Ų42.654%0.5423%0.229SC..THydrogen-bonded Turntrans56.739.5174.8-58.1109.6000115.1L103 V104 Q105 D109L103-N107 PolarHBondContact O-N 3.25Å; V104-N107 PolarHBondContact O-N 2.99Å; Q105-N107 VanDerWaalsContact C-N 3.29Å; Q105-N107 PolarHBondContact O-N 3.04Å; N107-D109 PolarHBondContact O-N 3.39Å
108A87.6Confident88.8Confident7 Ų742.3 Ų42.36%0.05823%0.228CC..  trans-53127164.200000110.6V77 N78 L88 L103 F106 P110V77-A108 HydrophobicContact CG1-CB 3.65Å; N78-A108 WeakPolarHBondContact OD1-CA 3.26Å; L88-A108 HydrophobicContact CB-CB 4.4Å; L88-A108 HydrophobicContact CD2-CB 4.11Å; L103-A108 HydrophobicContact CB-CB 4Å; L103-A108 WeakPolarHBondContact O-CB 3.31Å; L103-A108 PolarHBondContact O-N 3.29Å; F106-A108 PolarHBondContact O-N 3.41Å; A108-P110 VanDerWaalsContact O-CD 3.26Å; A108-P110 WeakPolarHBondContact O-CD 3.47Å
109D83.4Confident88.7Confident67 Ų6738.8 Ų38.836%0.35821%0.21SC..  trans-78.2114.2176.4-174.9-9.4000109.4N78 N107 D111 V112N78-D109 VanDerWaalsContact ND2-CB 3.34Å; N78-D109 WeakPolarHBondContact ND2-CB 3.47Å; N78-D109 PolarHBondContact OD1-N 2.88Å; N107-D109 PolarHBondContact O-N 3.39Å; D109-D111 VanDerWaalsContact C-N 3.33Å; D109-D111 WeakPolarHBondContact OD1-CB 3.4Å; D109-D111 PolarHBondContact OD1-N 2.78Å; D109-V112 HydrophobicContact CB-CG2 3.82Å
110P79.4Confident88.6Confident8 Ų838.9 Ų38.95%0.05221%0.211CC..THydrogen-bonded Turntrans-85.4-7.1-177.2-0.520.8000113.8L88 A108 V112 F140 L143 L145L88-P110 HydrophobicContact CD2-CB 4.1Å; A108-P110 VanDerWaalsContact O-CD 3.26Å; A108-P110 WeakPolarHBondContact O-CD 3.47Å; P110-V112 VanDerWaalsContact C-N 3.33Å; P110-F140 HydrophobicContact CB-CD1 3.86Å; P110-F140 HydrophobicContact CB-CD2 4.48Å; P110-F140 HydrophobicContact CB-CE1 3.19Å; P110-F140 HydrophobicContact CB-CE2 3.88Å; P110-F140 HydrophobicContact CB-CG 4.5Å; P110-F140 HydrophobicContact CB-CZ 3.21Å; P110-F140 HydrophobicContact CG-CD1 4.14Å; P110-F140 HydrophobicContact CG-CE1 3.83Å; P110-F140 HydrophobicContact CG-CZ 4.31Å; P110-L143 HydrophobicContact CG-CD1 3.87Å; P110-L145 HydrophobicContact CB-CD1 3.84Å; P110-L145 HydrophobicContact CG-CD1 3.69Å
111D81.3Confident88.5Confident50 Ų5039 Ų3927%0.26721%0.211SC..THydrogen-bonded Turntrans-83.5-11.2179.7-113.322000112.4D109 S113 R149D109-D111 VanDerWaalsContact C-N 3.33Å; D109-D111 WeakPolarHBondContact OD1-CB 3.4Å; D109-D111 PolarHBondContact OD1-N 2.78Å; D111-S113 PolarHBondContact O-N 2.99Å; D111-R149 VanDerWaalsContact CG-CZ 3.41Å; D111-R149 IonicContact OD1-CZ 3.23Å; D111-R149 IonicContact OD1-NE 3.84Å; D111-R149 IonicContact OD1-NH1 3.75Å; D111-R149 PolarHBondContact OD1-NH1 3.35Å; D111-R149 VanDerWaalsContact OD1-NH1 3.08Å; D111-R149 IonicContact OD1-NH2 3.53Å; D111-R149 PolarHBondContact OD1-NH2 2.99Å; D111-R149 VanDerWaalsContact OD1-NH2 3.16Å; D111-R149 IonicContact OD2-CZ 3.37Å; D111-R149 VanDerWaalsContact OD2-CZ 3.22Å; D111-R149 IonicContact OD2-NH1 3.89Å; D111-R149 PolarHBondContact OD2-NH1 3.49Å; D111-R149 VanDerWaalsContact OD2-NH1 3.07Å; D111-R149 IonicContact OD2-NH2 2.76Å; D111-R149 PolarHBondContact OD2-NH2 2.94Å
112V85.9Confident88.6Confident29 Ų2936.3 Ų36.318%0.17620%0.2CC..  trans-68.3115.5176.9-174.20000110.5Q80 T86 D109 P110Q80-V112 HydrophobicContact CG-CG1 4.16Å; T86-V112 HydrophobicContact CG2-CB 3.88Å; T86-V112 HydrophobicContact CG2-CG1 3.5Å; T86-V112 HydrophobicContact CG2-CG2 4.47Å; D109-V112 HydrophobicContact CB-CG2 3.82Å; P110-V112 VanDerWaalsContact C-N 3.33Å
113S89.3Confident88.6Confident40 Ų4036.9 Ų36.928%0.2820%0.201SC..  trans-93.7156.8173.8-69.70000112.7Q80 D111 G117 N118Q80-S113 PolarHBondContact NE2-O 2.65Å; D111-S113 PolarHBondContact O-N 2.99Å; S113-G117 PolarHBondContact OG-O 3.21Å; S113-N118 VanDerWaalsContact CA-O 3.3Å; S113-N118 WeakPolarHBondContact CA-O 3.47Å
114D91.3Very high88.7Confident10 Ų1036.9 Ų36.95%0.05320%0.201CC..  trans-75.9-179.9168.174.411.4000112.9D83 R85 W116 G117 N118 Y123D83-D114 WeakPolarHBondContact O-CB 3.28Å; R85-D114 HydrophobicContact CG-CB 4.11Å; D114-W116 PolarHBondContact O-N 3.28Å; D114-W116 VanDerWaalsContact OD1-CA 3.25Å; D114-W116 WeakPolarHBondContact OD1-CA 3.5Å; D114-W116 WeakPolarHBondContact OD1-CB 3.34Å; D114-W116 PolarHBondContact OD1-N 2.88Å; D114-G117 PolarHBondContact O-N 3.16Å; D114-G117 PolarHBondContact OD1-N 2.94Å; D114-N118 PolarHBondContact N-O 3.43Å; D114-N118 PolarHBondContact OD1-N 3.41Å; D114-N118 PolarHBondContact OD1-ND2 3.07Å; D114-N118 VanDerWaalsContact OD2-CB 3.31Å; D114-N118 WeakPolarHBondContact OD2-CB 3.27Å; D114-N118 PolarHBondContact OD2-ND2 3.08Å; D114-Y123 WeakPolarHBondContact OD2-CE2 3.24Å; D114-Y123 PolarHBondContact OD2-OH 3.3Å
115A91.5Very high88.9Confident74 Ų7436 Ų3661%0.61220%0.196SC*.THydrogen-bonded Turntrans-64.8-15.117800000114.4D83D83-A115 VanDerWaalsContact O-CB 3.3Å; D83-A115 WeakPolarHBondContact O-CB 3.44Å; D83-A115 PolarHBondContact O-N 2.95Å
116W90Very high89.1Confident138 Ų13837.1 Ų37.152%0.52320%0.2SC..THydrogen-bonded Turntrans-99.64173.9-58.8-70.4000112.7D83 D114 S152D83-W116 HydrophobicContact CB-CH2 4.14Å; D83-W116 HydrophobicContact CB-CZ3 3.85Å; D83-W116 WeakPolarHBondContact OD1-CH2 3.41Å; D114-W116 PolarHBondContact O-N 3.28Å; D114-W116 VanDerWaalsContact OD1-CA 3.25Å; D114-W116 WeakPolarHBondContact OD1-CA 3.5Å; D114-W116 WeakPolarHBondContact OD1-CB 3.34Å; D114-W116 PolarHBondContact OD1-N 2.88Å; W116-S152 VanDerWaalsContact O-CB 3.22Å; W116-S152 WeakPolarHBondContact O-CB 3.22Å; W116-S152 PolarHBondContact O-N 3.41Å; W116-S152 PolarHBondContact O-OG 2.97Å; W116-S152 VanDerWaalsContact O-OG 3.12Å
117G89.8Confident89.4Confident17 Ų1735.4 Ų35.418%0.17520%0.196CC..SBendtrans81.53.6-178.800000115.1S113 D114S113-G117 PolarHBondContact OG-O 3.21Å; D114-G117 PolarHBondContact O-N 3.16Å; D114-G117 PolarHBondContact OD1-N 2.94Å
118N90.8Very high89.6Confident26 Ų2631.5 Ų31.514%0.13918%0.18CC..  trans-74.6133.2178.7-46.7-67.6000111.2S113 D114 M122 Y123 N151S113-N118 VanDerWaalsContact CA-O 3.3Å; S113-N118 WeakPolarHBondContact CA-O 3.47Å; D114-N118 PolarHBondContact N-O 3.43Å; D114-N118 PolarHBondContact OD1-N 3.41Å; D114-N118 PolarHBondContact OD1-ND2 3.07Å; D114-N118 VanDerWaalsContact OD2-CB 3.31Å; D114-N118 WeakPolarHBondContact OD2-CB 3.27Å; D114-N118 PolarHBondContact OD2-ND2 3.08Å; N118-M122 HydrophobicContact CB-CB 4.16Å; N118-M122 HydrophobicContact CB-SD 4.06Å; N118-Y123 HydrophobicContact CB-CD2 4.37Å; N118-Y123 HydrophobicContact CB-CE2 3.92Å; N118-N151 WeakPolarHBondContact OD1-CB 3.39Å; N118-N151 PolarHBondContact OD1-ND2 3.29Å
119S90.9Very high89.9Confident12 Ų1234.3 Ų34.38%0.08419%0.192CC..  trans-91.2166.4169.868.70000111.6L121 M122 Y123S119-L121 PolarHBondContact O-N 3.41Å; S119-M122 WeakPolarHBondContact O-CB 3.37Å; S119-M122 PolarHBondContact O-N 3.5Å; S119-Y123 PolarHBondContact O-N 3.24Å
120A91.1Very high90.3Very high2 Ų233 Ų332%0.01719%0.188CC..Hα-helixtrans-57-25.6176.700000113.7L88 C92 Y123 A124L88-A120 HydrophobicContact CB-CB 4.48Å; L88-A120 HydrophobicContact CD2-CB 4.02Å; L88-A120 HydrophobicContact CG-CB 3.86Å; C92-A120 HydrophobicContact CB-CB 4.42Å; C92-A120 WeakPolarHBondContact CB-O 3.46Å; A120-Y123 PolarHBondContact O-N 3.46Å; A120-A124 PolarHBondContact O-N 3.08Å
121L91.7Very high90.8Very high2 Ų239.1 Ų39.11%0.0122%0.216CC..Hα-helixtrans-67.1-37.9173.2-171.175.5000112.3S119 Y123 A124 A125 L133 L136 V137 F140 L147 A157 L173S119-L121 PolarHBondContact O-N 3.41Å; L121-Y123 VanDerWaalsContact C-N 3.35Å; L121-A124 PolarHBondContact O-N 3.26Å; L121-A125 WeakPolarHBondContact O-CB 3.14Å; L121-A125 PolarHBondContact O-N 3.23Å; L121-L133 HydrophobicContact CD1-CD1 3.57Å; L121-L133 HydrophobicContact CD1-CG 4.35Å; L121-L133 HydrophobicContact CG-CD1 4.05Å; L121-L136 HydrophobicContact CD1-CB 3.8Å; L121-L136 HydrophobicContact CD1-CD1 4.21Å; L121-V137 HydrophobicContact CD1-CG2 3.91Å; L121-F140 HydrophobicContact CB-CE2 3.78Å; L121-F140 HydrophobicContact CB-CZ 4.19Å; L121-F140 HydrophobicContact CD1-CE2 4.41Å; L121-F140 HydrophobicContact CD2-CE2 4.44Å; L121-F140 HydrophobicContact CG-CE2 4.44Å; L121-L147 HydrophobicContact CD2-CB 4.34Å; L121-L147 HydrophobicContact CD2-CD2 3.83Å; L121-A157 HydrophobicContact CD2-CB 4.01Å; L121-A157 HydrophobicContact CG-CB 4.12Å; L121-L173 HydrophobicContact CD2-CD2 4.3Å
122M92.3Very high91.3Very high4 Ų436.9 Ų36.92%0.0220%0.204CC..Hα-helixtrans-68.2-36.1177.2-63.9-176.5-174.400111.5N118 S119 A125 F126 R149 N151 A157 I160N118-M122 HydrophobicContact CB-CB 4.16Å; N118-M122 HydrophobicContact CB-SD 4.06Å; S119-M122 WeakPolarHBondContact O-CB 3.37Å; S119-M122 PolarHBondContact O-N 3.5Å; M122-A125 PolarHBondContact O-N 3.04Å; M122-F126 VanDerWaalsContact O-CB 3.32Å; M122-F126 WeakPolarHBondContact O-CB 3.31Å; M122-F126 PolarHBondContact O-N 3.44Å; M122-R149 WeakPolarHBondContact CE-O 3.37Å; M122-N151 HydrophobicContact CE-CB 4.39Å; M122-N151 HydrophobicContact SD-CB 3.88Å; M122-A157 HydrophobicContact CG-CB 3.9Å; M122-I160 HydrophobicContact CB-CD1 3.83Å; M122-I160 HydrophobicContact CG-CD1 3.93Å; M122-I160 HydrophobicContact SD-CD1 3.91Å
123Y93Very high91.6Very high23 Ų2335.5 Ų35.59%0.0920%0.196CC..Hα-helixtrans-64-44.6172.9-81.8-74.5000112.8R85 E93 D114 N118 S119 A120 L121 A125 F126 S127R85-Y123 WeakPolarHBondContact CD-OH 3.48Å; R85-Y123 HydrophobicContact CG-CE2 4.28Å; E93-Y123 HydrophobicContact CB-CD1 3.81Å; E93-Y123 HydrophobicContact CB-CG 4.29Å; E93-Y123 HydrophobicContact CG-CD1 3.81Å; E93-Y123 HydrophobicContact CG-CE1 4.33Å; E93-Y123 WeakPolarHBondContact OE2-CE1 3.47Å; D114-Y123 WeakPolarHBondContact OD2-CE2 3.24Å; D114-Y123 PolarHBondContact OD2-OH 3.3Å; N118-Y123 HydrophobicContact CB-CD2 4.37Å; N118-Y123 HydrophobicContact CB-CE2 3.92Å; S119-Y123 PolarHBondContact O-N 3.24Å; A120-Y123 PolarHBondContact O-N 3.46Å; L121-Y123 VanDerWaalsContact C-N 3.35Å; Y123-A125 VanDerWaalsContact C-N 3.26Å; Y123-A125 PolarHBondContact O-N 3.22Å; Y123-F126 PolarHBondContact O-N 3.12Å; Y123-S127 PolarHBondContact O-N 2.77Å; Y123-S127 VanDerWaalsContact O-N 3.08Å; Y123-S127 PolarHBondContact O-OG 2.84Å
124A93.3Very high91.7Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-62.3-34.2173.300000112.6C92 A120 L121 G128 H129 V132 L133 L136C92-A124 HydrophobicContact CB-CB 4.11Å; A120-A124 PolarHBondContact O-N 3.08Å; L121-A124 PolarHBondContact O-N 3.26Å; A124-G128 PolarHBondContact O-N 2.84Å; A124-H129 PolarHBondContact O-N 3.06Å; A124-V132 HydrophobicContact CB-CG1 4Å; A124-L133 HydrophobicContact CB-CD1 3.82Å; A124-L136 HydrophobicContact CB-CD1 3.74Å
125A92.8Very high91.6Very high0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-73.7-36.3176.800000113.3L121 M122 Y123 G128 L133 A157 A161 H166L121-A125 WeakPolarHBondContact O-CB 3.14Å; L121-A125 PolarHBondContact O-N 3.23Å; M122-A125 PolarHBondContact O-N 3.04Å; Y123-A125 VanDerWaalsContact C-N 3.26Å; Y123-A125 PolarHBondContact O-N 3.22Å; A125-G128 PolarHBondContact O-N 2.74Å; A125-L133 HydrophobicContact CB-CD1 4.12Å; A125-A157 HydrophobicContact CB-CB 4.18Å; A125-A157 VanDerWaalsContact CB-O 3.32Å; A125-A157 WeakPolarHBondContact CB-O 3.33Å; A125-A161 HydrophobicContact CB-CB 4.16Å; A125-H166 PolarHBondContact O-CD2 3.06Å
126F93.3Very high91.5Very high100 Ų10033.5 Ų33.544%0.43917%0.169SC..Hα-helixtrans-64.7-48.7175170.9-91.4000111.7M122 Y123 G128 I160 F164 H166M122-F126 VanDerWaalsContact O-CB 3.32Å; M122-F126 WeakPolarHBondContact O-CB 3.31Å; M122-F126 PolarHBondContact O-N 3.44Å; Y123-F126 PolarHBondContact O-N 3.12Å; F126-G128 VanDerWaalsContact C-N 3.25Å; F126-G128 PolarHBondContact O-N 3.39Å; F126-I160 HydrophobicContact CB-CG2 3.89Å; F126-F164 AromaticContact CD2-CD2 3.98Å; F126-F164 HydrophobicContact CD2-CD2 3.98Å; F126-F164 HydrophobicContact CD2-CE1 4.45Å; F126-F164 AromaticContact CD2-CE2 3.4Å; F126-F164 HydrophobicContact CD2-CE2 3.4Å; F126-F164 VanDerWaalsContact CD2-CE2 3.4Å; F126-F164 AromaticContact CD2-CZ 3.69Å; F126-F164 HydrophobicContact CD2-CZ 3.69Å; F126-F164 HydrophobicContact CE2-CE1 4.05Å; F126-F164 AromaticContact CE2-CE2 3.72Å; F126-F164 HydrophobicContact CE2-CE2 3.72Å; F126-F164 AromaticContact CE2-CZ 3.45Å; F126-F164 HydrophobicContact CE2-CZ 3.45Å; F126-F164 VanDerWaalsContact CE2-CZ 3.45Å; F126-F164 HydrophobicContact CG-CE2 4.49Å; F126-H166 PolarHBondContact O-CD2 3.29Å; F126-H166 PolarHBondContact O-NE2 2.86Å
127S92.5Very high91.4Very high33 Ų3327 Ų2723%0.23115%0.145CC..THydrogen-bonded Turntrans-79.7-3.6179.3-56.40000113.9E93 Y123 H129E93-S127 VanDerWaalsContact O-CB 3.29Å; E93-S127 WeakPolarHBondContact O-CB 3.4Å; E93-S127 PolarHBondContact O-OG 2.9Å; Y123-S127 PolarHBondContact O-N 2.77Å; Y123-S127 VanDerWaalsContact O-N 3.08Å; Y123-S127 PolarHBondContact O-OG 2.84Å; S127-H129 VanDerWaalsContact C-N 3.33Å; S127-H129 WeakPolarHBondContact CB-CD2 3.47Å; S127-H129 WeakPolarHBondContact CB-NE2 3.12Å; S127-H129 PolarHBondContact O-N 2.79Å
128G91.1Very high91.2Very high19 Ų1930 Ų3020%0.19615%0.15CC..THydrogen-bonded Turntrans73.717.317600000115.4A124 A125 F126 S130 H166 C169A124-G128 PolarHBondContact O-N 2.84Å; A125-G128 PolarHBondContact O-N 2.74Å; F126-G128 VanDerWaalsContact C-N 3.25Å; F126-G128 PolarHBondContact O-N 3.39Å; G128-S130 VanDerWaalsContact C-N 3.3Å; G128-S130 PolarHBondContact O-N 2.9Å; G128-H166 VanDerWaalsContact CA-CG 3.44Å; G128-H166 WeakPolarHBondContact CA-ND1 3.11Å; G128-H166 PolarHBondContact N-NE2 2.96Å; G128-C169 PolarHBondContact O-SG 3.4Å
129H93.4Very high90.9Very high67 Ų6729 Ų2931%0.3115%0.146SC..  trans-79.873.5-172.1-65.6-45000112.5C92 G95 A124 S127 Q131 V132 L133C92-H129 PolarHBondContact O-CD2 3.38Å; G95-H129 WeakPolarHBondContact CA-CD2 3.3Å; G95-H129 VanDerWaalsContact CA-CG 3.44Å; G95-H129 WeakPolarHBondContact CA-NE2 3.23Å; G95-H129 PolarHBondContact N-CD2 3.45Å; G95-H129 PolarHBondContact N-NE2 2.93Å; A124-H129 PolarHBondContact O-N 3.06Å; S127-H129 VanDerWaalsContact C-N 3.33Å; S127-H129 WeakPolarHBondContact CB-CD2 3.47Å; S127-H129 WeakPolarHBondContact CB-NE2 3.12Å; S127-H129 PolarHBondContact O-N 2.79Å; H129-Q131 VanDerWaalsContact C-N 3.33Å; H129-Q131 PolarHBondContact O-N 3.45Å; H129-V132 HydrophobicContact CB-CB 4.14Å; H129-V132 HydrophobicContact CB-CG2 4.28Å; H129-V132 WeakPolarHBondContact O-CA 3.49Å; H129-V132 WeakPolarHBondContact O-CB 3.27Å; H129-V132 PolarHBondContact O-N 3.32Å; H129-L133 PolarHBondContact O-N 3.16Å
130S91.3Very high90.4Very high40 Ų4028.7 Ų28.728%0.2814%0.143SC..Hα-helixtrans-47.7-44.8-175.358.60000114.8G128 V132 L133 E134 I172G128-S130 VanDerWaalsContact C-N 3.3Å; G128-S130 PolarHBondContact O-N 2.9Å; S130-V132 PolarHBondContact O-N 3.1Å; S130-L133 WeakPolarHBondContact O-CB 3.35Å; S130-L133 PolarHBondContact O-N 2.96Å; S130-E134 WeakPolarHBondContact O-CB 3.37Å; S130-E134 PolarHBondContact O-N 3.45Å; S130-I172 WeakPolarHBondContact O-CD1 3.16Å
131Q90.9Very high89.9Confident135 Ų13534.5 Ų34.563%0.63117%0.168SC*.Hα-helixtrans-64.8-37.8178.9-64.3-178.3-4.300113L97 H129 F135L97-Q131 HydrophobicContact CD2-CB 4.25Å; H129-Q131 VanDerWaalsContact C-N 3.33Å; H129-Q131 PolarHBondContact O-N 3.45Å; Q131-F135 PolarHBondContact O-N 3.21Å
132V92.1Very high89.2Confident3 Ų340.5 Ų40.52%0.01819%0.191CC..Hα-helixtrans-68.7-43.4174.2174.60000109.7C92 L97 V100 A124 H129 S130 E134 F135 L136C92-V132 HydrophobicContact CB-CG1 4.47Å; L97-V132 HydrophobicContact CB-CG2 3.91Å; L97-V132 HydrophobicContact CD1-CG2 4.17Å; V100-V132 HydrophobicContact CG1-CG1 4.33Å; V100-V132 HydrophobicContact CG2-CG1 3.99Å; A124-V132 HydrophobicContact CB-CG1 4Å; H129-V132 HydrophobicContact CB-CB 4.14Å; H129-V132 HydrophobicContact CB-CG2 4.28Å; H129-V132 WeakPolarHBondContact O-CA 3.49Å; H129-V132 WeakPolarHBondContact O-CB 3.27Å; H129-V132 PolarHBondContact O-N 3.32Å; S130-V132 PolarHBondContact O-N 3.1Å; V132-E134 PolarHBondContact O-N 3.36Å; V132-F135 PolarHBondContact O-N 3.3Å; V132-L136 HydrophobicContact CG1-CD1 3.78Å; V132-L136 HydrophobicContact CG1-CG 4.17Å; V132-L136 VanDerWaalsContact O-CG 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.3Å; V132-L136 PolarHBondContact O-N 3.09Å
133L91.7Very high88.4Confident0 Ų045.3 Ų45.30%022%0.216CC..Hα-helixtrans-61.3-43.2177.5-158.676.2000112.2L121 A124 A125 H129 S130 F135 L136 V137 C169 I172 L173L121-L133 HydrophobicContact CD1-CD1 3.57Å; L121-L133 HydrophobicContact CD1-CG 4.35Å; L121-L133 HydrophobicContact CG-CD1 4.05Å; A124-L133 HydrophobicContact CB-CD1 3.82Å; A125-L133 HydrophobicContact CB-CD1 4.12Å; H129-L133 PolarHBondContact O-N 3.16Å; S130-L133 WeakPolarHBondContact O-CB 3.35Å; S130-L133 PolarHBondContact O-N 2.96Å; L133-F135 VanDerWaalsContact C-N 3.32Å; L133-F135 PolarHBondContact O-N 3.15Å; L133-L136 PolarHBondContact O-N 2.7Å; L133-V137 HydrophobicContact CG-CG2 4.48Å; L133-V137 VanDerWaalsContact O-CB 3.3Å; L133-V137 WeakPolarHBondContact O-CB 2.98Å; L133-V137 VanDerWaalsContact O-CG2 3.22Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.17Å; L133-C169 HydrophobicContact CD2-CB 3.47Å; L133-C169 VanDerWaalsContact CD2-CB 3.47Å; L133-I172 HydrophobicContact CD2-CB 4.45Å; L133-I172 HydrophobicContact CD2-CG2 4.34Å; L133-I172 HydrophobicContact CG-CG2 4.46Å; L133-L173 HydrophobicContact CD2-CD1 3.99Å; L133-L173 HydrophobicContact CD2-CD2 4.33Å; L133-L173 HydrophobicContact CD2-CG 3.85Å; L133-L173 HydrophobicContact CG-CD2 4.47Å
134E90.3Very high87.5Confident63 Ų6347.1 Ų47.129%0.29424%0.242SC..Hα-helixtrans-62.3-38.6176.3-158.2-159.8126.800111.9S130 V132 R138 I172 S180S130-E134 WeakPolarHBondContact O-CB 3.37Å; S130-E134 PolarHBondContact O-N 3.45Å; V132-E134 PolarHBondContact O-N 3.36Å; E134-R138 WeakPolarHBondContact O-CB 3.21Å; E134-R138 PolarHBondContact O-N 3.39Å; E134-R138 PolarHBondContact O-NH1 3.48Å; E134-R138 IonicContact OE1-CZ 3.92Å; E134-R138 IonicContact OE1-NH1 3.22Å; E134-R138 PolarHBondContact OE1-NH1 2.79Å; E134-R138 IonicContact OE1-NH2 2.7Å; E134-R138 PolarHBondContact OE1-NH2 3.19Å; E134-I172 HydrophobicContact CB-CD1 4.22Å; E134-I172 HydrophobicContact CB-CG2 4.32Å; E134-I172 HydrophobicContact CG-CG2 4.49Å; E134-S180 PolarHBondContact OE1-OG 3.11Å; E134-S180 VanDerWaalsContact OE1-OG 3.04Å
135F90.3Very high86.8Confident19 Ų1948.8 Ų48.88%0.08325%0.25CS..Hα-helixtrans-67.1-49.9174.8-179.9-92.8000111.7L97 V100 K101 V104 Q131 V132 L133 R138 A139 L187L97-F135 HydrophobicContact CD1-CB 3.92Å; L97-F135 HydrophobicContact CD1-CG 4.21Å; V100-F135 HydrophobicContact CG1-CD1 3.77Å; V100-F135 HydrophobicContact CG1-CE1 3.97Å; K101-F135 HydrophobicContact CB-CZ 4.25Å; K101-F135 HydrophobicContact CG-CD2 4.23Å; K101-F135 HydrophobicContact CG-CE1 4.36Å; K101-F135 HydrophobicContact CG-CE2 3.73Å; K101-F135 HydrophobicContact CG-CZ 3.81Å; V104-F135 HydrophobicContact CB-CE1 4.13Å; V104-F135 HydrophobicContact CB-CZ 4.42Å; V104-F135 HydrophobicContact CG1-CE1 4.38Å; V104-F135 HydrophobicContact CG1-CZ 4.45Å; V104-F135 HydrophobicContact CG2-CE1 4.05Å; Q131-F135 PolarHBondContact O-N 3.21Å; V132-F135 PolarHBondContact O-N 3.3Å; L133-F135 VanDerWaalsContact C-N 3.32Å; L133-F135 PolarHBondContact O-N 3.15Å; F135-R138 PolarHBondContact O-N 3.16Å; F135-A139 WeakPolarHBondContact O-CB 3.32Å; F135-A139 PolarHBondContact O-N 3.15Å; F135-L187 HydrophobicContact CE2-CD1 3.79Å; F135-L187 HydrophobicContact CZ-CD1 4.1Å
136L88.3Confident86Confident0 Ų058.2 Ų58.20%029%0.286CS..Hα-helixtrans-59.3-51.6178.6-67.9168.5000111.1V100 L121 A124 V132 L133 R138 A139 F140V100-L136 HydrophobicContact CG1-CD2 3.79Å; V100-L136 HydrophobicContact CG1-CG 4.34Å; L121-L136 HydrophobicContact CD1-CB 3.8Å; L121-L136 HydrophobicContact CD1-CD1 4.21Å; A124-L136 HydrophobicContact CB-CD1 3.74Å; V132-L136 HydrophobicContact CG1-CD1 3.78Å; V132-L136 HydrophobicContact CG1-CG 4.17Å; V132-L136 VanDerWaalsContact O-CG 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.3Å; V132-L136 PolarHBondContact O-N 3.09Å; L133-L136 PolarHBondContact O-N 2.7Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 2.89Å; L136-A139 CarbonylContact O-C 3.59Å; L136-A139 PolarHBondContact O-N 3.31Å; L136-F140 HydrophobicContact CB-CD1 4.22Å; L136-F140 HydrophobicContact CB-CE1 3.84Å; L136-F140 HydrophobicContact CB-CZ 4.27Å; L136-F140 HydrophobicContact CD2-CE1 3.57Å; L136-F140 HydrophobicContact CD2-CZ 4.06Å; L136-F140 HydrophobicContact CG-CE1 4.27Å; L136-F140 WeakPolarHBondContact O-CB 3.01Å; L136-F140 WeakPolarHBondContact O-CD1 3.38Å; L136-F140 WeakPolarHBondContact O-CG 3.42Å; L136-F140 PolarHBondContact O-N 3.38Å
137V88.1Confident85.3Confident3 Ų355 Ų552%0.01827%0.273CS..Hα-helixtrans-55.4-42.4177.8166.70000111.5L121 L133 K141 L147 I172 L173 P176L121-V137 HydrophobicContact CD1-CG2 3.91Å; L133-V137 HydrophobicContact CG-CG2 4.48Å; L133-V137 VanDerWaalsContact O-CB 3.3Å; L133-V137 WeakPolarHBondContact O-CB 2.98Å; L133-V137 VanDerWaalsContact O-CG2 3.22Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.17Å; V137-K141 VanDerWaalsContact O-CB 3.24Å; V137-K141 WeakPolarHBondContact O-CB 3.49Å; V137-K141 PolarHBondContact O-N 3.13Å; V137-K141 VanDerWaalsContact O-N 3.07Å; V137-L147 HydrophobicContact CG1-CD1 4.08Å; V137-L147 HydrophobicContact CG2-CD1 4.43Å; V137-L147 HydrophobicContact CG2-CD2 4.49Å; V137-I172 HydrophobicContact CG2-CG2 4.39Å; V137-L173 HydrophobicContact CG2-CD2 3.8Å; V137-P176 HydrophobicContact CG1-CB 3.41Å; V137-P176 VanDerWaalsContact CG1-CB 3.41Å
138R86.5Confident84.7Confident78 Ų7860 Ų6029%0.29430%0.297SS..Hα-helixtrans-70.4-29178-167.8-172.4-86105.3-17.5113E134 F135 L136 R142 S180 L187E134-R138 WeakPolarHBondContact O-CB 3.21Å; E134-R138 PolarHBondContact O-N 3.39Å; E134-R138 PolarHBondContact O-NH1 3.48Å; E134-R138 IonicContact OE1-CZ 3.92Å; E134-R138 IonicContact OE1-NH1 3.22Å; E134-R138 PolarHBondContact OE1-NH1 2.79Å; E134-R138 IonicContact OE1-NH2 2.7Å; E134-R138 PolarHBondContact OE1-NH2 3.19Å; F135-R138 PolarHBondContact O-N 3.16Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 2.89Å; R138-R142 PolarHBondContact O-NH1 3.46Å; R138-R142 VanDerWaalsContact O-NH1 3.13Å; R138-S180 PolarHBondContact NH2-OG 2.78Å; R138-L187 HydrophobicContact CB-CD2 4.18Å; R138-L187 VanDerWaalsContact CD-CD2 3.42Å; R138-L187 HydrophobicContact CG-CD2 3.68Å
139A83.5Confident84.4Confident6 Ų663.5 Ų63.55%0.0531%0.305CS..Hα-helixtrans-77.8-51.9173.300000111.9V104 F135 L136 K141 R142 L143V104-A139 HydrophobicContact CG1-CB 4.45Å; F135-A139 WeakPolarHBondContact O-CB 3.32Å; F135-A139 PolarHBondContact O-N 3.15Å; L136-A139 CarbonylContact O-C 3.59Å; L136-A139 PolarHBondContact O-N 3.31Å; A139-K141 VanDerWaalsContact C-N 3.28Å; A139-K141 PolarHBondContact O-N 2.7Å; A139-R142 PolarHBondContact O-N 3.33Å; A139-L143 PolarHBondContact O-N 3.36Å
140F82.3Confident84.3Confident5 Ų564.1 Ų64.12%0.02231%0.313CS..Hα-helixtrans-58.2-40.5-177.8-75.335.9000111P110 L121 L136 R142 L143 G144 L145 L147P110-F140 HydrophobicContact CB-CD1 3.86Å; P110-F140 HydrophobicContact CB-CD2 4.48Å; P110-F140 HydrophobicContact CB-CE1 3.19Å; P110-F140 HydrophobicContact CB-CE2 3.88Å; P110-F140 HydrophobicContact CB-CG 4.5Å; P110-F140 HydrophobicContact CB-CZ 3.21Å; P110-F140 HydrophobicContact CG-CD1 4.14Å; P110-F140 HydrophobicContact CG-CE1 3.83Å; P110-F140 HydrophobicContact CG-CZ 4.31Å; L121-F140 HydrophobicContact CB-CE2 3.78Å; L121-F140 HydrophobicContact CB-CZ 4.19Å; L121-F140 HydrophobicContact CD1-CE2 4.41Å; L121-F140 HydrophobicContact CD2-CE2 4.44Å; L121-F140 HydrophobicContact CG-CE2 4.44Å; L136-F140 HydrophobicContact CB-CD1 4.22Å; L136-F140 HydrophobicContact CB-CE1 3.84Å; L136-F140 HydrophobicContact CB-CZ 4.27Å; L136-F140 HydrophobicContact CD2-CE1 3.57Å; L136-F140 HydrophobicContact CD2-CZ 4.06Å; L136-F140 HydrophobicContact CG-CE1 4.27Å; L136-F140 WeakPolarHBondContact O-CB 3.01Å; L136-F140 WeakPolarHBondContact O-CD1 3.38Å; L136-F140 WeakPolarHBondContact O-CG 3.42Å; L136-F140 PolarHBondContact O-N 3.38Å; F140-R142 VanDerWaalsContact C-N 3.3Å; F140-R142 PolarHBondContact O-N 2.99Å; F140-L143 CarbonylContact O-C 3.44Å; F140-L143 PolarHBondContact O-N 3.3Å; F140-L143 VanDerWaalsContact O-N 3.13Å; F140-G144 PolarHBondContact O-N 2.97Å; F140-L145 HydrophobicContact CB-CB 4.18Å; F140-L145 HydrophobicContact CB-CD1 4.42Å; F140-L145 HydrophobicContact CD1-CD1 4.5Å; F140-L145 HydrophobicContact CD2-CB 4.32Å; F140-L145 HydrophobicContact CD2-CD1 4.16Å; F140-L145 HydrophobicContact CG-CB 4.48Å; F140-L145 HydrophobicContact CG-CD1 4.1Å; F140-L145 PolarHBondContact O-N 3.41Å; F140-L147 HydrophobicContact CB-CD2 3.83Å; F140-L147 HydrophobicContact CD2-CD2 3.96Å; F140-L147 HydrophobicContact CG-CD2 4.32Å
141K79.4Confident84.3Confident125 Ų12563.3 Ų63.354%0.54331%0.305SS..Hα-helixtrans-64.2-29.1175.9-173.4173.9178.8177.60113.6V137 A139V137-K141 VanDerWaalsContact O-CB 3.24Å; V137-K141 WeakPolarHBondContact O-CB 3.49Å; V137-K141 PolarHBondContact O-N 3.13Å; V137-K141 VanDerWaalsContact O-N 3.07Å; A139-K141 VanDerWaalsContact C-N 3.28Å; A139-K141 PolarHBondContact O-N 2.7Å
142R77.7Confident84.3Confident128 Ų12861.6 Ų61.648%0.48331%0.308SS..Hα-helixtrans-78.5-32171.3-71.2-161.9-165.786.3-20.3112.5R138 A139 F140 G144R138-R142 PolarHBondContact O-NH1 3.46Å; R138-R142 VanDerWaalsContact O-NH1 3.13Å; A139-R142 PolarHBondContact O-N 3.33Å; F140-R142 VanDerWaalsContact C-N 3.3Å; F140-R142 PolarHBondContact O-N 2.99Å; R142-G144 PolarHBondContact O-N 3.35Å
143L75.9Confident84.2Confident104 Ų10464.7 Ų64.755%0.54534%0.335SS..Hα-helixtrans-77.1-6.3173.7-65.2172.4000113.3P110 A139 F140 L145P110-L143 HydrophobicContact CG-CD1 3.87Å; A139-L143 PolarHBondContact O-N 3.36Å; F140-L143 CarbonylContact O-C 3.44Å; F140-L143 PolarHBondContact O-N 3.3Å; F140-L143 VanDerWaalsContact O-N 3.13Å; L143-L145 VanDerWaalsContact C-N 3.32Å; L143-L145 HydrophobicContact CB-CD1 4.24Å; L143-L145 HydrophobicContact CB-CD2 4.27Å; L143-L145 HydrophobicContact CB-CG 3.83Å; L143-L145 HydrophobicContact CD1-CD1 4.34Å; L143-L145 PolarHBondContact O-N 3.26Å
144G73.4Confident84.1Confident62 Ų6266.8 Ų66.864%0.63936%0.356SS*.THydrogen-bonded Turntrans76.313.2-18000000115F140 R142F140-G144 PolarHBondContact O-N 2.97Å; R142-G144 PolarHBondContact O-N 3.35Å
145L77.4Confident84.2Confident34 Ų3468.3 Ų68.318%0.17836%0.363CS..  trans-74.5144.2-173.8-49.4-176.6000111.9P110 F140 L143 L147P110-L145 HydrophobicContact CB-CD1 3.84Å; P110-L145 HydrophobicContact CG-CD1 3.69Å; F140-L145 HydrophobicContact CB-CB 4.18Å; F140-L145 HydrophobicContact CB-CD1 4.42Å; F140-L145 HydrophobicContact CD1-CD1 4.5Å; F140-L145 HydrophobicContact CD2-CB 4.32Å; F140-L145 HydrophobicContact CD2-CD1 4.16Å; F140-L145 HydrophobicContact CG-CB 4.48Å; F140-L145 HydrophobicContact CG-CD1 4.1Å; F140-L145 PolarHBondContact O-N 3.41Å; L143-L145 VanDerWaalsContact C-N 3.32Å; L143-L145 HydrophobicContact CB-CD1 4.24Å; L143-L145 HydrophobicContact CB-CD2 4.27Å; L143-L145 HydrophobicContact CB-CG 3.83Å; L143-L145 HydrophobicContact CD1-CD1 4.34Å; L143-L145 PolarHBondContact O-N 3.26Å; L145-L147 PolarHBondContact O-N 3.36Å
146R75.9Confident84.2Confident198 Ų19868 Ų6875%0.74736%0.364SS*.  trans-78.6115.7178.3-69.6-174.5177.8-173.8-1.2110.4D148 R149R146-D148 VanDerWaalsContact C-N 3.35Å; R146-R149 HydrophobicContact CB-CG 4.22Å
147L78.8Confident84.3Confident33 Ų3368.1 Ų68.117%0.17336%0.364CS..THydrogen-bonded Turntrans-72.3-30.9176.7-55.8178.2000112L121 V137 F140 L145 R149L121-L147 HydrophobicContact CD2-CB 4.34Å; L121-L147 HydrophobicContact CD2-CD2 3.83Å; V137-L147 HydrophobicContact CG1-CD1 4.08Å; V137-L147 HydrophobicContact CG2-CD1 4.43Å; V137-L147 HydrophobicContact CG2-CD2 4.49Å; F140-L147 HydrophobicContact CB-CD2 3.83Å; F140-L147 HydrophobicContact CD2-CD2 3.96Å; F140-L147 HydrophobicContact CG-CD2 4.32Å; L145-L147 PolarHBondContact O-N 3.36Å; L147-R149 PolarHBondContact O-N 3.1Å; L147-R149 VanDerWaalsContact O-N 3.15Å
148D81Confident84.5Confident138 Ų13872.5 Ų72.574%0.73838%0.383SS*.THydrogen-bonded Turntrans-82.721.8-175.5-41.6-75.9000113.6R146R146-D148 VanDerWaalsContact C-N 3.35Å
149R85.2Confident84.7Confident93 Ų9373.2 Ų73.235%0.35139%0.39SS..  trans-64.3145.1169.3-73.4-176.3-174.9-171.55.4109.6D111 M122 R146 L147 S156D111-R149 VanDerWaalsContact CG-CZ 3.41Å; D111-R149 IonicContact OD1-CZ 3.23Å; D111-R149 IonicContact OD1-NE 3.84Å; D111-R149 IonicContact OD1-NH1 3.75Å; D111-R149 PolarHBondContact OD1-NH1 3.35Å; D111-R149 VanDerWaalsContact OD1-NH1 3.08Å; D111-R149 IonicContact OD1-NH2 3.53Å; D111-R149 PolarHBondContact OD1-NH2 2.99Å; D111-R149 VanDerWaalsContact OD1-NH2 3.16Å; D111-R149 IonicContact OD2-CZ 3.37Å; D111-R149 VanDerWaalsContact OD2-CZ 3.22Å; D111-R149 IonicContact OD2-NH1 3.89Å; D111-R149 PolarHBondContact OD2-NH1 3.49Å; D111-R149 VanDerWaalsContact OD2-NH1 3.07Å; D111-R149 IonicContact OD2-NH2 2.76Å; D111-R149 PolarHBondContact OD2-NH2 2.94Å; M122-R149 WeakPolarHBondContact CE-O 3.37Å; R146-R149 HydrophobicContact CB-CG 4.22Å; L147-R149 PolarHBondContact O-N 3.1Å; L147-R149 VanDerWaalsContact O-N 3.15Å; R149-S156 WeakPolarHBondContact O-CA 3.43Å
150T90.4Very high85.1Confident79 Ų7973.8 Ų73.849%0.48539%0.392SS..BIsolated β-bridgetrans-108.5149.6174.551.40000110.5G154 H155T150-G154 WeakPolarHBondContact CG2-O 3.36Å; T150-H155 WeakPolarHBondContact CA-O 3.45Å
151N90.3Very high85.6Confident23 Ų2373.5 Ų73.512%0.12339%0.391CS..  trans-80.2-179.5172.167.39.6000111.5N118 M122 A153 G154 H155N118-N151 WeakPolarHBondContact OD1-CB 3.39Å; N118-N151 PolarHBondContact OD1-ND2 3.29Å; M122-N151 HydrophobicContact CE-CB 4.39Å; M122-N151 HydrophobicContact SD-CB 3.88Å; N151-A153 PolarHBondContact O-N 3.07Å; N151-A153 WeakPolarHBondContact OD1-CA 3.43Å; N151-A153 WeakPolarHBondContact OD1-CB 3.45Å; N151-A153 PolarHBondContact OD1-N 3.46Å; N151-G154 PolarHBondContact O-N 3.13Å; N151-G154 PolarHBondContact OD1-N 3.13Å; N151-H155 PolarHBondContact N-O 3.47Å; N151-H155 PolarHBondContact OD1-N 3.2Å; N151-H155 PolarHBondContact OD1-O 3.12Å
152S91.8Very high86.3Confident99 Ų9972.5 Ų72.569%0.69239%0.391SS*.THydrogen-bonded Turntrans-63.9-10.3178.8-60.20000114.3W116W116-S152 VanDerWaalsContact O-CB 3.22Å; W116-S152 WeakPolarHBondContact O-CB 3.22Å; W116-S152 PolarHBondContact O-N 3.41Å; W116-S152 PolarHBondContact O-OG 2.97Å; W116-S152 VanDerWaalsContact O-OG 3.12Å
153A89.6Confident87Confident69 Ų6974.3 Ų74.357%0.5740%0.403SS*.THydrogen-bonded Turntrans-94.71.8171.100000113.3N151N151-A153 PolarHBondContact O-N 3.07Å; N151-A153 WeakPolarHBondContact OD1-CA 3.43Å; N151-A153 WeakPolarHBondContact OD1-CB 3.45Å; N151-A153 PolarHBondContact OD1-N 3.46Å
154G91.1Very high87.7Confident44 Ų4473.9 Ų73.945%0.45440%0.397SS..SBendtrans84.22.4-179.600000115.1T150 N151T150-G154 WeakPolarHBondContact CG2-O 3.36Å; N151-G154 PolarHBondContact O-N 3.13Å; N151-G154 PolarHBondContact OD1-N 3.13Å
155H90.5Very high88.5Confident94 Ų9472.9 Ų72.944%0.43539%0.387SS..  trans-93.1133.7-175.9-58113.6000112.4T150 N151 I160T150-H155 WeakPolarHBondContact CA-O 3.45Å; N151-H155 PolarHBondContact N-O 3.47Å; N151-H155 PolarHBondContact OD1-N 3.2Å; N151-H155 PolarHBondContact OD1-O 3.12Å; H155-I160 HydrophobicContact CB-CD1 4.46Å; H155-I160 HydrophobicContact CB-CG1 4.05Å
156S91.9Very high89.3Confident14 Ų1473.9 Ų73.910%0.09839%0.39CS..BIsolated β-bridgetrans-82.2164.6168.9680000112.3R149 K158 E159 I160R149-S156 WeakPolarHBondContact O-CA 3.43Å; S156-K158 PolarHBondContact O-N 2.86Å; S156-K158 VanDerWaalsContact O-N 3.13Å; S156-E159 VanDerWaalsContact CB-OE2 3.22Å; S156-E159 WeakPolarHBondContact CB-OE2 3.29Å; S156-E159 PolarHBondContact N-OE2 2.96Å; S156-E159 PolarHBondContact O-N 3.32Å; S156-E159 VanDerWaalsContact O-N 3.1Å; S156-E159 PolarHBondContact OG-N 2.96Å; S156-E159 PolarHBondContact OG-OE2 3.14Å; S156-I160 WeakPolarHBondContact O-CG1 3.24Å; S156-I160 PolarHBondContact O-N 3.17Å
157A90.1Very high90Very high1 Ų169.5 Ų69.51%0.00838%0.382CS..Hα-helixtrans-55.3-30.8173.800000113.1L121 M122 A125 A161 L173L121-A157 HydrophobicContact CD2-CB 4.01Å; L121-A157 HydrophobicContact CG-CB 4.12Å; M122-A157 HydrophobicContact CG-CB 3.9Å; A125-A157 HydrophobicContact CB-CB 4.18Å; A125-A157 VanDerWaalsContact CB-O 3.32Å; A125-A157 WeakPolarHBondContact CB-O 3.33Å; A157-A161 WeakPolarHBondContact O-CB 3.45Å; A157-A161 PolarHBondContact O-N 3.47Å; A157-L173 HydrophobicContact CB-CD1 4.19Å
158K91.3Very high90.5Very high95 Ų9573.6 Ų73.641%0.41340%0.4SS..Hα-helixtrans-71.6-42177.5170.8175.9160.4175.10112.2S156 A161 N162 L173 N174S156-K158 PolarHBondContact O-N 2.86Å; S156-K158 VanDerWaalsContact O-N 3.13Å; K158-A161 PolarHBondContact O-N 3.05Å; K158-N162 WeakPolarHBondContact O-CB 3.32Å; K158-N162 PolarHBondContact O-N 2.96Å; K158-L173 HydrophobicContact CB-CB 4.4Å; K158-L173 HydrophobicContact CB-CD1 4.1Å; K158-N174 WeakPolarHBondContact CE-OD1 3.32Å; K158-N174 PolarHBondContact NZ-OD1 3.17Å
159E91.9Very high90.9Very high94 Ų9467 Ų6744%0.43937%0.365SS..Hα-helixtrans-70.4-37.3178-71152.7137.400111.2S156 N162 F163S156-E159 VanDerWaalsContact CB-OE2 3.22Å; S156-E159 WeakPolarHBondContact CB-OE2 3.29Å; S156-E159 PolarHBondContact N-OE2 2.96Å; S156-E159 PolarHBondContact O-N 3.32Å; S156-E159 VanDerWaalsContact O-N 3.1Å; S156-E159 PolarHBondContact OG-N 2.96Å; S156-E159 PolarHBondContact OG-OE2 3.14Å; E159-N162 PolarHBondContact O-N 3.28Å; E159-F163 WeakPolarHBondContact O-CB 3.45Å; E159-F163 PolarHBondContact O-N 3.32Å
160I91.6Very high91.2Very high17 Ų1763.3 Ų63.39%0.08735%0.352CS..Hα-helixtrans-58.9-53.6170.7-66.8167.3000110.2M122 F126 H155 S156 N162 F163 F164M122-I160 HydrophobicContact CB-CD1 3.83Å; M122-I160 HydrophobicContact CG-CD1 3.93Å; M122-I160 HydrophobicContact SD-CD1 3.91Å; F126-I160 HydrophobicContact CB-CG2 3.89Å; H155-I160 HydrophobicContact CB-CD1 4.46Å; H155-I160 HydrophobicContact CB-CG1 4.05Å; S156-I160 WeakPolarHBondContact O-CG1 3.24Å; S156-I160 PolarHBondContact O-N 3.17Å; I160-N162 PolarHBondContact O-N 3.4Å; I160-F163 PolarHBondContact O-N 3.49Å; I160-F164 HydrophobicContact CG2-CD2 4.08Å; I160-F164 HydrophobicContact CG2-CE2 4.22Å; I160-F164 VanDerWaalsContact O-CD2 3.31Å; I160-F164 WeakPolarHBondContact O-CD2 3.49Å; I160-F164 PolarHBondContact O-N 2.91Å; I160-F164 VanDerWaalsContact O-N 3.14Å
161A93.1Very high91.1Very high0 Ų064.6 Ų64.60%035%0.353CS..Hα-helixtrans-57.2-36.9177.100000112.7A125 A157 K158 G165 H166 C169 V170 L173A125-A161 HydrophobicContact CB-CB 4.16Å; A157-A161 WeakPolarHBondContact O-CB 3.45Å; A157-A161 PolarHBondContact O-N 3.47Å; K158-A161 PolarHBondContact O-N 3.05Å; A161-G165 PolarHBondContact O-N 3.01Å; A161-H166 HydrophobicContact CB-CB 4.39Å; A161-H166 WeakPolarHBondContact O-CB 3.32Å; A161-H166 PolarHBondContact O-N 3.19Å; A161-C169 HydrophobicContact CB-CB 3.8Å; A161-V170 HydrophobicContact CB-CG2 3.69Å; A161-L173 HydrophobicContact CB-CD1 4.48Å
162N93.3Very high91Very high104 Ų10464.8 Ų64.856%0.55635%0.354SS*.Hα-helixtrans-71.9-41178.4-169.578000112.6K158 E159 I160 F164 G165 V170K158-N162 WeakPolarHBondContact O-CB 3.32Å; K158-N162 PolarHBondContact O-N 2.96Å; E159-N162 PolarHBondContact O-N 3.28Å; I160-N162 PolarHBondContact O-N 3.4Å; N162-F164 VanDerWaalsContact C-N 3.34Å; N162-F164 PolarHBondContact O-N 3.07Å; N162-G165 PolarHBondContact O-N 2.82Å; N162-G165 VanDerWaalsContact O-N 3.1Å; N162-V170 HydrophobicContact CB-CG2 3.97Å
163F91.7Very high90.8Very high165 Ų16561.2 Ų61.272%0.72433%0.327SS*.Hα-helixtrans-61.9-39.3177.9-177.6-91.1000112.3E159 I160 G165E159-F163 WeakPolarHBondContact O-CB 3.45Å; E159-F163 PolarHBondContact O-N 3.32Å; I160-F163 PolarHBondContact O-N 3.49Å; F163-G165 VanDerWaalsContact C-N 3.31Å
164F91.5Very high90.5Very high95 Ų9561.1 Ų61.142%0.41732%0.316SS..THydrogen-bonded Turntrans-86.15.1175.5-67.8-74.6000114.1F126 I160 N162 H166F126-F164 AromaticContact CD2-CD2 3.98Å; F126-F164 HydrophobicContact CD2-CD2 3.98Å; F126-F164 HydrophobicContact CD2-CE1 4.45Å; F126-F164 AromaticContact CD2-CE2 3.4Å; F126-F164 HydrophobicContact CD2-CE2 3.4Å; F126-F164 VanDerWaalsContact CD2-CE2 3.4Å; F126-F164 AromaticContact CD2-CZ 3.69Å; F126-F164 HydrophobicContact CD2-CZ 3.69Å; F126-F164 HydrophobicContact CE2-CE1 4.05Å; F126-F164 AromaticContact CE2-CE2 3.72Å; F126-F164 HydrophobicContact CE2-CE2 3.72Å; F126-F164 AromaticContact CE2-CZ 3.45Å; F126-F164 HydrophobicContact CE2-CZ 3.45Å; F126-F164 VanDerWaalsContact CE2-CZ 3.45Å; F126-F164 HydrophobicContact CG-CE2 4.49Å; I160-F164 HydrophobicContact CG2-CD2 4.08Å; I160-F164 HydrophobicContact CG2-CE2 4.22Å; I160-F164 VanDerWaalsContact O-CD2 3.31Å; I160-F164 WeakPolarHBondContact O-CD2 3.49Å; I160-F164 PolarHBondContact O-N 2.91Å; I160-F164 VanDerWaalsContact O-N 3.14Å; N162-F164 VanDerWaalsContact C-N 3.34Å; N162-F164 PolarHBondContact O-N 3.07Å; F164-H166 VanDerWaalsContact C-N 3.3Å; F164-H166 VanDerWaalsContact CB-CD2 3.46Å; F164-H166 WeakPolarHBondContact CB-CD2 3.49Å; F164-H166 PolarHBondContact O-N 3.43Å
165G91Very high89.8Confident42 Ų4265.3 Ų65.343%0.43332%0.323SS..THydrogen-bonded Turntrans72.915176.100000115.3A161 N162 F163 N167A161-G165 PolarHBondContact O-N 3.01Å; N162-G165 PolarHBondContact O-N 2.82Å; N162-G165 VanDerWaalsContact O-N 3.1Å; F163-G165 VanDerWaalsContact C-N 3.31Å; G165-N167 PolarHBondContact O-N 2.96Å; G165-N167 PolarHBondContact O-ND2 3.47Å
166H93.8Very high88.5Confident55 Ų5563.3 Ų63.326%0.25532%0.318SS..  trans-76.566.2-176.7-65.3-52.4000112.2A125 F126 G128 A161 F164 Q168 C169 V170A125-H166 PolarHBondContact O-CD2 3.06Å; F126-H166 PolarHBondContact O-CD2 3.29Å; F126-H166 PolarHBondContact O-NE2 2.86Å; G128-H166 VanDerWaalsContact CA-CG 3.44Å; G128-H166 WeakPolarHBondContact CA-ND1 3.11Å; G128-H166 PolarHBondContact N-NE2 2.96Å; A161-H166 HydrophobicContact CB-CB 4.39Å; A161-H166 WeakPolarHBondContact O-CB 3.32Å; A161-H166 PolarHBondContact O-N 3.19Å; F164-H166 VanDerWaalsContact C-N 3.3Å; F164-H166 VanDerWaalsContact CB-CD2 3.46Å; F164-H166 WeakPolarHBondContact CB-CD2 3.49Å; F164-H166 PolarHBondContact O-N 3.43Å; H166-Q168 PolarHBondContact O-N 2.89Å; H166-C169 HydrophobicContact CB-CB 3.95Å; H166-C169 WeakPolarHBondContact O-CA 3.47Å; H166-C169 WeakPolarHBondContact O-CB 3.22Å; H166-C169 PolarHBondContact O-N 2.92Å; H166-V170 PolarHBondContact O-N 3.23Å
167N90.8Very high86.6Confident106 Ų10667.2 Ų67.257%0.56734%0.344SS*.Hα-helixtrans-50.2-36.8-173.9-70.8-54.8000114.3G165 V170 Q171G165-N167 PolarHBondContact O-N 2.96Å; G165-N167 PolarHBondContact O-ND2 3.47Å; N167-V170 PolarHBondContact O-N 3.17Å; N167-Q171 WeakPolarHBondContact O-CG 3.14Å; N167-Q171 PolarHBondContact O-N 3.36Å
168Q89.1Confident84.6Confident118 Ų11876.7 Ų76.755%0.55138%0.38SS*.Hα-helixtrans-66.7-40.1176.4-64.5-62.6-25.300112.2H166 Q171 I172H166-Q168 PolarHBondContact O-N 2.89Å; Q168-Q171 PolarHBondContact O-N 2.88Å; Q168-I172 WeakPolarHBondContact O-CD1 3.32Å; Q168-I172 WeakPolarHBondContact O-CG1 3.26Å; Q168-I172 PolarHBondContact O-N 3.29Å
169C89.9Confident82.3Confident0 Ų082.4 Ų82.40%040%0.404CS..Hα-helixtrans-66.4-41.5175.2-67.60000111.4G128 L133 A161 H166 Q171 I172 L173G128-C169 PolarHBondContact O-SG 3.4Å; L133-C169 HydrophobicContact CD2-CB 3.47Å; L133-C169 VanDerWaalsContact CD2-CB 3.47Å; A161-C169 HydrophobicContact CB-CB 3.8Å; H166-C169 HydrophobicContact CB-CB 3.95Å; H166-C169 WeakPolarHBondContact O-CA 3.47Å; H166-C169 WeakPolarHBondContact O-CB 3.22Å; H166-C169 PolarHBondContact O-N 2.92Å; C169-Q171 VanDerWaalsContact C-N 3.34Å; C169-Q171 PolarHBondContact O-N 3.49Å; C169-I172 PolarHBondContact O-N 3.23Å; C169-L173 WeakPolarHBondContact O-CG 3.37Å; C169-L173 PolarHBondContact O-N 3.09Å
170V90.3Very high79.9Confident15 Ų1580.3 Ų80.39%0.09140%0.4CS..Hα-helixtrans-61.6-40.2173.6178.70000111.5A161 N162 H166 N167 L173 N174A161-V170 HydrophobicContact CB-CG2 3.69Å; N162-V170 HydrophobicContact CB-CG2 3.97Å; H166-V170 PolarHBondContact O-N 3.23Å; N167-V170 PolarHBondContact O-N 3.17Å; V170-L173 PolarHBondContact O-N 2.7Å; V170-N174 WeakPolarHBondContact CG1-ND2 3.38Å; V170-N174 WeakPolarHBondContact O-CB 3.32Å; V170-N174 VanDerWaalsContact O-CG 3.29Å; V170-N174 PolarHBondContact O-N 3.17Å; V170-N174 PolarHBondContact O-ND2 3.41Å
171Q89.3Confident77.6Confident107 Ų10784.4 Ų84.450%0.544%0.436SS..Hα-helixtrans-65.1-42175.3-75.2179.227.800112.7N167 Q168 C169 N174 F175N167-Q171 WeakPolarHBondContact O-CG 3.14Å; N167-Q171 PolarHBondContact O-N 3.36Å; Q168-Q171 PolarHBondContact O-N 2.88Å; C169-Q171 VanDerWaalsContact C-N 3.34Å; C169-Q171 PolarHBondContact O-N 3.49Å; Q171-N174 PolarHBondContact O-N 2.82Å; Q171-F175 PolarHBondContact O-N 2.86Å
172I88.6Confident74.9Confident26 Ų2688.3 Ų88.313%0.13346%0.463CS..Hα-helixtrans-64.3-41.3177-70.5162.6000111.5S130 L133 E134 V137 Q168 C169 F175 P176S130-I172 WeakPolarHBondContact O-CD1 3.16Å; L133-I172 HydrophobicContact CD2-CB 4.45Å; L133-I172 HydrophobicContact CD2-CG2 4.34Å; L133-I172 HydrophobicContact CG-CG2 4.46Å; E134-I172 HydrophobicContact CB-CD1 4.22Å; E134-I172 HydrophobicContact CB-CG2 4.32Å; E134-I172 HydrophobicContact CG-CG2 4.49Å; V137-I172 HydrophobicContact CG2-CG2 4.39Å; Q168-I172 WeakPolarHBondContact O-CD1 3.32Å; Q168-I172 WeakPolarHBondContact O-CG1 3.26Å; Q168-I172 PolarHBondContact O-N 3.29Å; C169-I172 PolarHBondContact O-N 3.23Å; I172-F175 CarbonylContact O-C 3.37Å; I172-P176 VanDerWaalsContact O-CA 3.25Å; I172-P176 WeakPolarHBondContact O-CA 3.44Å; I172-P176 VanDerWaalsContact O-N 3.16Å
173L85.9Confident72.3Confident24 Ų2492.5 Ų92.513%0.12648%0.476CS..Hα-helixtrans-72.3-34.6178.2-68.2168.8000112.7L121 L133 V137 A157 K158 A161 C169 V170L121-L173 HydrophobicContact CD2-CD2 4.3Å; L133-L173 HydrophobicContact CD2-CD1 3.99Å; L133-L173 HydrophobicContact CD2-CD2 4.33Å; L133-L173 HydrophobicContact CD2-CG 3.85Å; L133-L173 HydrophobicContact CG-CD2 4.47Å; V137-L173 HydrophobicContact CG2-CD2 3.8Å; A157-L173 HydrophobicContact CB-CD1 4.19Å; K158-L173 HydrophobicContact CB-CB 4.4Å; K158-L173 HydrophobicContact CB-CD1 4.1Å; A161-L173 HydrophobicContact CB-CD1 4.48Å; C169-L173 WeakPolarHBondContact O-CG 3.37Å; C169-L173 PolarHBondContact O-N 3.09Å; V170-L173 PolarHBondContact O-N 2.7Å
174N84.8Confident69.9Low67 Ų6791.8 Ų91.836%0.35848%0.48SS..Hα-helixtrans-72.6-38.4173.4-76.8-32.8000113K158 V170 Q171 P176K158-N174 WeakPolarHBondContact CE-OD1 3.32Å; K158-N174 PolarHBondContact NZ-OD1 3.17Å; V170-N174 WeakPolarHBondContact CG1-ND2 3.38Å; V170-N174 WeakPolarHBondContact O-CB 3.32Å; V170-N174 VanDerWaalsContact O-CG 3.29Å; V170-N174 PolarHBondContact O-N 3.17Å; V170-N174 PolarHBondContact O-ND2 3.41Å; Q171-N174 PolarHBondContact O-N 2.82Å; N174-P176 VanDerWaalsContact C-CD 3.43Å; N174-P176 WeakPolarHBondContact O-CD 3.43Å
175F75.4Confident67.7Low133 Ų13391.6 Ų91.658%0.58348%0.483SS*.  trans-126.467.6-175.4-61.7-73000111.2Q171 I172 C177Q171-F175 PolarHBondContact O-N 2.86Å; I172-F175 CarbonylContact O-C 3.37Å; F175-C177 PolarHBondContact O-N 3.27Å
176P63.2Low65.8Low52 Ų5292.9 Ų92.934%0.33848%0.484SS..SBendtrans-67.69.2-174.930.1-39000114.8V137 I172 N174V137-P176 HydrophobicContact CG1-CB 3.41Å; V137-P176 VanDerWaalsContact CG1-CB 3.41Å; I172-P176 VanDerWaalsContact O-CA 3.25Å; I172-P176 WeakPolarHBondContact O-CA 3.44Å; I172-P176 VanDerWaalsContact O-N 3.16Å; N174-P176 VanDerWaalsContact C-CD 3.43Å; N174-P176 WeakPolarHBondContact O-CD 3.43Å
177C52.7Low63.5Low95 Ų9590.5 Ų90.564%0.64247%0.473SS*.  trans-147.383.8173.7-76.60000110.5F175F175-C177 PolarHBondContact O-N 3.27Å
178R47.3Very low61.5Low201 Ų20189.5 Ų89.576%0.75847%0.47SS*.  trans-107142.8140.7-70.5-168.2-179.9-139.3-0.2107.6S180R178-S180 PolarHBondContact O-N 3.37Å
179K43.4Very low59.5Low215 Ų21589.4 Ų89.494%0.93547%0.474SS*.  trans-7389.8175.1-71.8-177.9176.5-179.40109.2A181K179-A181 PolarHBondContact O-N 3.24Å
180S41.2Very low57.7Low50 Ų5089.9 Ų89.935%0.3548%0.476SS..  trans-58.1117.5154.732.90000107.2E134 R138 R178 C182E134-S180 PolarHBondContact OE1-OG 3.11Å; E134-S180 VanDerWaalsContact OE1-OG 3.04Å; R138-S180 PolarHBondContact NH2-OG 2.78Å; R178-S180 PolarHBondContact O-N 3.37Å; S180-C182 PolarHBondContact O-N 2.96Å
181A42.9Very low55.7Low102 Ų10291.8 Ų91.884%0.84349%0.488SS*.  trans-8152.7-173.500000111.9K179 K183K179-A181 PolarHBondContact O-N 3.24Å; A181-K183 PolarHBondContact O-N 3.29Å; A181-K183 VanDerWaalsContact O-N 3.11Å
182C37.8Very low53.4Low82 Ų8289.8 Ų89.855%0.55448%0.483SS*.  trans-68.9104.7169.3-65.40000108.4S180S180-C182 PolarHBondContact O-N 2.96Å
183K38.9Very low51.1Low192 Ų19290.8 Ų90.884%0.83550%0.495SS*.SBendtrans-60.5148.6148.8-63.3179.2-178.3179.10106.8A181A181-K183 PolarHBondContact O-N 3.29Å; A181-K183 VanDerWaalsContact O-N 3.11Å
184D40.4Very low49.1Very low151 Ų15192.7 Ų92.781%0.80751%0.508SS*.  trans65.387.6-164.6-44.7-33.7000111.4P186D184-P186 VanDerWaalsContact C-CD 3.42Å; D184-P186 WeakPolarHBondContact O-CD 3.5Å
185D45.4Very low46.8Very low91 Ų9197.7 Ų97.749%0.48753%0.529SS..  trans-104.575177.9-149.5-17000108.3L187 V188D185-L187 PolarHBondContact O-N 3.15Å; D185-V188 PolarHBondContact O-N 3.42Å; D185-V188 VanDerWaalsContact O-N 3.16Å
186P50.1Low45Very low68 Ų6896 Ų9644%0.44253%0.529SS..THydrogen-bonded Turntrans-63.8-7.5-170.129-38.9000113.1D184 V188 D189 V190D184-P186 VanDerWaalsContact C-CD 3.42Å; D184-P186 WeakPolarHBondContact O-CD 3.5Å; P186-V188 PolarHBondContact O-N 3.07Å; P186-D189 PolarHBondContact O-N 2.76Å; P186-V190 WeakPolarHBondContact O-CB 3.31Å; P186-V190 WeakPolarHBondContact O-CG2 3.1Å; P186-V190 PolarHBondContact O-N 2.93Å
187L46.9Very low43.6Very low6 Ų698.8 Ų98.83%0.03154%0.538CS..Hα-helixtrans-77.7-6.8179.9-156.556.6000113.2F135 R138 D185 V190 V191F135-L187 HydrophobicContact CE2-CD1 3.79Å; F135-L187 HydrophobicContact CZ-CD1 4.1Å; R138-L187 HydrophobicContact CB-CD2 4.18Å; R138-L187 VanDerWaalsContact CD-CD2 3.42Å; R138-L187 HydrophobicContact CG-CD2 3.68Å; D185-L187 PolarHBondContact O-N 3.15Å; L187-V190 HydrophobicContact CD1-CB 3.97Å; L187-V190 HydrophobicContact CD1-CG1 3.79Å; L187-V191 HydrophobicContact CD1-CG2 4Å; L187-V191 HydrophobicContact CG-CG2 4.34Å
188V48.9Very low42.9Very low84 Ų84105.9 Ų105.951%0.50955%0.551SS.*Hα-helixtrans-73.3-47.8163.9-176.30000109.9D185 P186 T192D185-V188 PolarHBondContact O-N 3.42Å; D185-V188 VanDerWaalsContact O-N 3.16Å; P186-V188 PolarHBondContact O-N 3.07Å; V188-T192 WeakPolarHBondContact O-CB 3.25Å; V188-T192 VanDerWaalsContact O-CG2 3.32Å; V188-T192 WeakPolarHBondContact O-CG2 3.49Å; V188-T192 PolarHBondContact O-N 3.27Å; V188-T192 VanDerWaalsContact O-N 3.13Å; V188-T192 PolarHBondContact O-OG1 3.29Å
189D46.8Very low42.6Very low117 Ų117103.6 Ų103.663%0.62654%0.542SS*.Hα-helixtrans-72.1-43.4178.9-62.1-30.3000112.6P186 V191 T192 A193P186-D189 PolarHBondContact O-N 2.76Å; D189-V191 PolarHBondContact O-N 3.13Å; D189-T192 WeakPolarHBondContact CA-OG1 3.38Å; D189-T192 PolarHBondContact O-N 2.91Å; D189-T192 PolarHBondContact O-OG1 3.03Å; D189-A193 VanDerWaalsContact O-CB 3.3Å; D189-A193 WeakPolarHBondContact O-CB 3.22Å; D189-A193 PolarHBondContact O-N 3.27Å
190V51.2Low42.3Very low9 Ų9100.3 Ų100.36%0.05553%0.534CS..Hα-helixtrans-54.6-38.7180163.80000112.4Q105 P186 L187Q105-V190 HydrophobicContact CG-CB 4.24Å; Q105-V190 HydrophobicContact CG-CG1 3.79Å; Q105-V190 HydrophobicContact CG-CG2 3.89Å; P186-V190 WeakPolarHBondContact O-CB 3.31Å; P186-V190 WeakPolarHBondContact O-CG2 3.1Å; P186-V190 PolarHBondContact O-N 2.93Å; L187-V190 HydrophobicContact CD1-CB 3.97Å; L187-V190 HydrophobicContact CD1-CG1 3.79Å
191V47.9Very low42Very low55 Ų55103.7 Ų103.733%0.33356%0.555SS.*Hα-helixtrans-95.7-32.4-174.5-173.60000111.9L187 D189 A193 V194L187-V191 HydrophobicContact CD1-CG2 4Å; L187-V191 HydrophobicContact CG-CG2 4.34Å; D189-V191 PolarHBondContact O-N 3.13Å; V191-A193 VanDerWaalsContact C-N 3.25Å; V191-A193 PolarHBondContact O-N 3.41Å; V191-V194 WeakPolarHBondContact O-CB 3.39Å; V191-V194 PolarHBondContact O-N 2.87Å; V191-V194 VanDerWaalsContact O-N 3.12Å
192T42.3Very low42.2Very low66 Ų66105.1 Ų105.141%0.40555%0.548SS..Hα-helixtrans-65.8-30.3170.652.30000111.7V188 D189 V194 E195 V196V188-T192 WeakPolarHBondContact O-CB 3.25Å; V188-T192 VanDerWaalsContact O-CG2 3.32Å; V188-T192 WeakPolarHBondContact O-CG2 3.49Å; V188-T192 PolarHBondContact O-N 3.27Å; V188-T192 VanDerWaalsContact O-N 3.13Å; V188-T192 PolarHBondContact O-OG1 3.29Å; D189-T192 WeakPolarHBondContact CA-OG1 3.38Å; D189-T192 PolarHBondContact O-N 2.91Å; D189-T192 PolarHBondContact O-OG1 3.03Å; T192-V194 PolarHBondContact O-N 2.8Å; T192-E195 PolarHBondContact O-N 2.58Å; T192-E195 VanDerWaalsContact O-N 3.1Å; T192-V196 WeakPolarHBondContact O-CB 3.22Å; T192-V196 VanDerWaalsContact O-CG2 3.27Å; T192-V196 WeakPolarHBondContact O-CG2 3.3Å; T192-V196 PolarHBondContact O-N 2.86Å
193A39Very low42.9Very low46 Ų46106.6 Ų106.638%0.3854%0.542SS..Hα-helixtrans-57-34.5170.300000113.4D189 V191 E195 V196 E197D189-A193 VanDerWaalsContact O-CB 3.3Å; D189-A193 WeakPolarHBondContact O-CB 3.22Å; D189-A193 PolarHBondContact O-N 3.27Å; V191-A193 VanDerWaalsContact C-N 3.25Å; V191-A193 PolarHBondContact O-N 3.41Å; A193-E195 VanDerWaalsContact C-N 3.25Å; A193-E195 PolarHBondContact O-N 3.34Å; A193-V196 PolarHBondContact O-N 2.88Å; A193-E197 PolarHBondContact O-N 3.16Å
194V45.2Very low43.7Very low65 Ų65100.4 Ų100.439%0.39452%0.518SS..Hα-helixtrans-65.6-27.6177.9-178.90000112.1V191 T192V191-V194 WeakPolarHBondContact O-CB 3.39Å; V191-V194 PolarHBondContact O-N 2.87Å; V191-V194 VanDerWaalsContact O-N 3.12Å; T192-V194 PolarHBondContact O-N 2.8Å
195E35.8Very low44.6Very low172 Ų17296.3 Ų96.380%0.80450%0.5SS*.Hα-helixtrans-94.2-31.4175.1-62.9-168.513400113T192 A193T192-E195 PolarHBondContact O-N 2.58Å; T192-E195 VanDerWaalsContact O-N 3.1Å; A193-E195 VanDerWaalsContact C-N 3.25Å; A193-E195 PolarHBondContact O-N 3.34Å
196V38Very low44.9Very low96 Ų96102.5 Ų102.558%0.58252%0.516SS*.Hα-helixtrans-89.2-31.8-171.3174.20000113.7T192 A193T192-V196 WeakPolarHBondContact O-CB 3.22Å; T192-V196 VanDerWaalsContact O-CG2 3.27Å; T192-V196 WeakPolarHBondContact O-CG2 3.3Å; T192-V196 PolarHBondContact O-N 2.86Å; A193-V196 PolarHBondContact O-N 2.88Å
197E34.7Very low45.2Very low111 Ų111105 Ų10552%0.51952%0.522SS..  trans-110.260.4-171.7-70.3-100.597.300113.5A193 R199A193-E197 PolarHBondContact O-N 3.16Å; E197-R199 PolarHBondContact O-N 2.99Å; E197-R199 WeakPolarHBondContact OE1-CB 3.48Å; E197-R199 VanDerWaalsContact OE1-CD 3.24Å; E197-R199 WeakPolarHBondContact OE1-CD 3.34Å; E197-R199 WeakPolarHBondContact OE1-CG 3.03Å; E197-R199 IonicContact OE1-CZ 2.61Å; E197-R199 IonicContact OE1-NE 2.68Å; E197-R199 IonicContact OE1-NH1 2.63Å; E197-R199 PolarHBondContact OE1-NH1 3.13Å
198R38Very low45.9Very low244 Ų244106.5 Ų106.592%0.92153%0.531SS*.  trans-68.129.1148.3-69.8-171.5178.4-177.40.6112.3L200R198-L200 PolarHBondContact O-N 3.37Å
199R39.3Very low46.3Very low153 Ų153103.3 Ų103.358%0.57751%0.511SS*.  trans-91.794.3176.5-72.2-156.3-177.981.52.7109.6E197E197-R199 PolarHBondContact O-N 2.99Å; E197-R199 WeakPolarHBondContact OE1-CB 3.48Å; E197-R199 VanDerWaalsContact OE1-CD 3.24Å; E197-R199 WeakPolarHBondContact OE1-CD 3.34Å; E197-R199 WeakPolarHBondContact OE1-CG 3.03Å; E197-R199 IonicContact OE1-CZ 2.61Å; E197-R199 IonicContact OE1-NE 2.68Å; E197-R199 IonicContact OE1-NH1 2.63Å; E197-R199 PolarHBondContact OE1-NH1 3.13Å
200L37.8Very low46.8Very low147 Ų147102.7 Ų102.777%0.7750%0.504SS*.  trans-48.3133.8157.6-68.8136.5000108.6R198 N202 R203R198-L200 PolarHBondContact O-N 3.37Å; L200-N202 PolarHBondContact O-N 3.1Å; L200-R203 PolarHBondContact O-N 3.02Å
201P35Very low47.3Very low120 Ų120109 Ų10978%0.77953%0.531SS*.THydrogen-bonded Turntrans-68.38.2-164.126-36.1000115.8
202N46.6Very low47.4Very low132 Ų132110.8 Ų110.871%0.70653%0.534SS*.THydrogen-bonded Turntrans-121.816.7-173.9-62.6-30.9000113.4L200 L204 Q229L200-N202 PolarHBondContact O-N 3.1Å; N202-L204 PolarHBondContact O-N 2.81Å; N202-Q229 PolarHBondContact O-NE2 2.98Å
203R53Low48.1Very low114 Ų114111.5 Ų111.543%0.4354%0.542SS..PPolyproline II helixtrans-78.7121176.3-163.7174.8-168.6175.85111L200 Q229 I232L200-R203 PolarHBondContact O-N 3.02Å; R203-Q229 PolarHBondContact NH2-O 3.46Å; R203-Q229 VanDerWaalsContact NH2-O 3.07Å; R203-I232 PolarHBondContact NH2-O 2.83Å
204L55.9Low48.9Very low61 Ų61116.4 Ų116.432%0.31956%0.555SS.*PPolyproline II helixtrans-63.9151179-71.1169.8000111.9N202 V208 L209 F226N202-L204 PolarHBondContact O-N 2.81Å; L204-V208 HydrophobicContact CB-CB 4.47Å; L204-V208 HydrophobicContact CB-CG1 4.4Å; L204-V208 HydrophobicContact CD1-CG1 4.29Å; L204-L209 HydrophobicContact CB-CD2 4.15Å; L204-L209 HydrophobicContact CB-CG 4.08Å; L204-L209 HydrophobicContact CD1-CD2 4.46Å; L204-F226 HydrophobicContact CD1-CD1 4.04Å; L204-F226 HydrophobicContact CD1-CE1 3.37Å; L204-F226 HydrophobicContact CD1-CZ 3.94Å
205P59.6Low49.3Very low65 Ų65120.3 Ų120.342%0.42257%0.569SS.*PPolyproline II helixtrans-57.1146.2177.1-2332.6000112.1H207 V208 L209P205-H207 VanDerWaalsContact C-N 3.28Å; P205-H207 PolarHBondContact O-N 3.43Å; P205-V208 HydrophobicContact CB-CG2 4.1Å; P205-V208 HydrophobicContact CG-CG2 4.11Å; P205-V208 WeakPolarHBondContact O-CA 3.32Å; P205-V208 WeakPolarHBondContact O-CB 3.43Å; P205-V208 PolarHBondContact O-N 3.36Å; P205-L209 PolarHBondContact O-N 3.25Å
206R50.3Low49.8Very low222 Ų222115 Ų11584%0.83855%0.55SS**Hα-helixtrans-51.9-44.8-178.9-82.3-177.4168.9167.4-5.2112.8V208 L209 E210R206-V208 PolarHBondContact O-N 3.27Å; R206-L209 PolarHBondContact O-N 3.02Å; R206-E210 VanDerWaalsContact O-CB 3.26Å; R206-E210 WeakPolarHBondContact O-CB 3.48Å; R206-E210 PolarHBondContact O-N 3.47Å
207H57.5Low50.1Low121 Ų121116 Ų11656%0.5656%0.562SS**Hα-helixtrans-66.1-16.9178.868.8-108.5000114.5P205 K211P205-H207 VanDerWaalsContact C-N 3.28Å; P205-H207 PolarHBondContact O-N 3.43Å; H207-K211 WeakPolarHBondContact O-CG 3.37Å; H207-K211 PolarHBondContact O-N 3.32Å
208V61.2Low50.6Low36 Ų36117.2 Ų117.222%0.21857%0.572CS.*Hα-helixtrans-83.1-50.2173.4177.60000109.2L204 P205 R206 E210 K211 F212L204-V208 HydrophobicContact CB-CB 4.47Å; L204-V208 HydrophobicContact CB-CG1 4.4Å; L204-V208 HydrophobicContact CD1-CG1 4.29Å; P205-V208 HydrophobicContact CB-CG2 4.1Å; P205-V208 HydrophobicContact CG-CG2 4.11Å; P205-V208 WeakPolarHBondContact O-CA 3.32Å; P205-V208 WeakPolarHBondContact O-CB 3.43Å; P205-V208 PolarHBondContact O-N 3.36Å; R206-V208 PolarHBondContact O-N 3.27Å; V208-E210 VanDerWaalsContact C-N 3.27Å; V208-E210 PolarHBondContact O-N 3.09Å; V208-K211 PolarHBondContact O-N 3.2Å; V208-K211 VanDerWaalsContact O-N 3.15Å; V208-F212 HydrophobicContact CG1-CD2 3.93Å; V208-F212 HydrophobicContact CG1-CE2 3.58Å; V208-F212 VanDerWaalsContact O-CD2 3.24Å; V208-F212 WeakPolarHBondContact O-CD2 3.34Å; V208-F212 PolarHBondContact O-N 3.49Å; V208-F212 VanDerWaalsContact O-N 3.16Å
209L56.8Low51.1Low17 Ų17114.7 Ų114.79%0.08957%0.571CS.*Hα-helixtrans-58.1-40.4175.7-66.1169.5000111.7L204 P205 R206 K211 F212 S213 Q229 T230L204-L209 HydrophobicContact CB-CD2 4.15Å; L204-L209 HydrophobicContact CB-CG 4.08Å; L204-L209 HydrophobicContact CD1-CD2 4.46Å; P205-L209 PolarHBondContact O-N 3.25Å; R206-L209 PolarHBondContact O-N 3.02Å; L209-K211 PolarHBondContact O-N 2.94Å; L209-F212 PolarHBondContact O-N 3.23Å; L209-S213 WeakPolarHBondContact O-CB 3.46Å; L209-S213 PolarHBondContact O-N 3.42Å; L209-Q229 HydrophobicContact CD2-CB 4.21Å; L209-T230 HydrophobicContact CD2-CG2 4.35Å
210E58.3Low51.8Low104 Ų104115.3 Ų115.349%0.48658%0.58SS.*Hα-helixtrans-70.9-26.6179.1-165.6-175.6160.500113.3R206 V208 K214R206-E210 VanDerWaalsContact O-CB 3.26Å; R206-E210 WeakPolarHBondContact O-CB 3.48Å; R206-E210 PolarHBondContact O-N 3.47Å; V208-E210 VanDerWaalsContact C-N 3.27Å; V208-E210 PolarHBondContact O-N 3.09Å; E210-K214 HydrophobicContact CG-CD 4.46Å; E210-K214 WeakPolarHBondContact O-CD 3.46Å; E210-K214 WeakPolarHBondContact O-CG 3.48Å; E210-K214 PolarHBondContact O-N 3.08Å; E210-K214 IonicContact OE1-NZ 3.08Å; E210-K214 PolarHBondContact OE1-NZ 2.91Å
211K61.5Low52.5Low143 Ų143117 Ų11762%0.62258%0.584SS**Hα-helixtrans-71.1-48.3170.7-82.1-179.8177.1-171.30111.2H207 V208 L209 S213 K214 Q215H207-K211 WeakPolarHBondContact O-CG 3.37Å; H207-K211 PolarHBondContact O-N 3.32Å; V208-K211 PolarHBondContact O-N 3.2Å; V208-K211 VanDerWaalsContact O-N 3.15Å; L209-K211 PolarHBondContact O-N 2.94Å; K211-S213 VanDerWaalsContact C-N 3.34Å; K211-S213 PolarHBondContact O-N 3.38Å; K211-K214 PolarHBondContact O-N 3.02Å; K211-K214 VanDerWaalsContact O-N 3.1Å; K211-Q215 WeakPolarHBondContact O-CG 3.42Å; K211-Q215 PolarHBondContact O-N 2.91Å
212F50.6Low53.5Low91 Ų91114.3 Ų114.340%0.39956%0.563SS.*Hα-helixtrans-61.3-41.9176.5-71.8-63.4000112.2V208 L209 K214 Q215 S216 F226V208-F212 HydrophobicContact CG1-CD2 3.93Å; V208-F212 HydrophobicContact CG1-CE2 3.58Å; V208-F212 VanDerWaalsContact O-CD2 3.24Å; V208-F212 WeakPolarHBondContact O-CD2 3.34Å; V208-F212 PolarHBondContact O-N 3.49Å; V208-F212 VanDerWaalsContact O-N 3.16Å; L209-F212 PolarHBondContact O-N 3.23Å; F212-K214 PolarHBondContact O-N 3.48Å; F212-K214 VanDerWaalsContact O-N 3.14Å; F212-Q215 PolarHBondContact O-N 2.83Å; F212-S216 PolarHBondContact O-N 3.32Å; F212-S216 PolarHBondContact O-OG 3.18Å; F212-F226 HydrophobicContact CD2-CE1 4.32Å; F212-F226 HydrophobicContact CE2-CE1 4.14Å
213S55.5Low54Low82 Ų82111.7 Ų111.757%0.57355%0.553SS**THydrogen-bonded Turntrans-59.2-22.5174.7178.50000114.5L209 K211L209-S213 WeakPolarHBondContact O-CB 3.46Å; L209-S213 PolarHBondContact O-N 3.42Å; K211-S213 VanDerWaalsContact C-N 3.34Å; K211-S213 PolarHBondContact O-N 3.38Å
214K56.7Low54.1Low149 Ų149110.4 Ų110.465%0.64856%0.555SS**THydrogen-bonded Turntrans-101.47.4178.6-68.1173.8-171.9173.50112.9E210 K211 F212E210-K214 HydrophobicContact CG-CD 4.46Å; E210-K214 WeakPolarHBondContact O-CD 3.46Å; E210-K214 WeakPolarHBondContact O-CG 3.48Å; E210-K214 PolarHBondContact O-N 3.08Å; E210-K214 IonicContact OE1-NZ 3.08Å; E210-K214 PolarHBondContact OE1-NZ 2.91Å; K211-K214 PolarHBondContact O-N 3.02Å; K211-K214 VanDerWaalsContact O-N 3.1Å; F212-K214 PolarHBondContact O-N 3.48Å; F212-K214 VanDerWaalsContact O-N 3.14Å
215Q53.2Low53.8Low147 Ų147112.2 Ų112.269%0.68757%0.568SS**THydrogen-bonded Turntrans-119.4-11.9179.8-71.4-175.3-64.700113.9K211 F212K211-Q215 WeakPolarHBondContact O-CG 3.42Å; K211-Q215 PolarHBondContact O-N 2.91Å; F212-Q215 PolarHBondContact O-N 2.83Å
216S47.1Very low53.4Low59 Ų59112 Ų11241%0.41356%0.561SS.*  trans-99.991.8178.355.80000111.8F212F212-S216 PolarHBondContact O-N 3.32Å; F212-S216 PolarHBondContact O-OG 3.18Å
217S43.9Very low53.7Low118 Ų118104.8 Ų104.883%0.82554%0.536SS*.  trans-85.5-18.4162.9-600000112.3
218D44.3Very low53.6Low137 Ų137107.3 Ų107.373%0.73354%0.541SS*.SBendtrans-106.2117.7-175.4-52.6-63.5000109.8E220D218-E220 PolarHBondContact O-N 3.28Å; D218-E220 VanDerWaalsContact O-N 3.08Å
219E48.3Very low53.1Low191 Ų191107 Ų10789%0.89354%0.537SS*.  trans-82.230.1-169.9-105.6-76.3141.600114.4
220E54.6Low52.9Low166 Ų166108.8 Ų108.878%0.77655%0.549SS*.SBendtrans-124134.5175.2-66.3-158.9163.600113.2D218D218-E220 PolarHBondContact O-N 3.28Å; D218-E220 VanDerWaalsContact O-N 3.08Å
221Q53.9Low52.4Low182 Ų182111.5 Ų111.585%0.8556%0.559SS**  trans74.536.3168.7-49.5-173.815.800118.9
222L54.8Low51.6Low63 Ų63110.1 Ų110.133%0.3356%0.557SS.*  trans-74.2125.2152.2-87.7172.6000110.7F226 Q227L222-F226 HydrophobicContact CD2-CB 4.45Å; L222-Q227 HydrophobicContact CB-CG 4.11Å; L222-Q227 PolarHBondContact O-NE2 2.98Å
223P57.7Low51.2Low78 Ų78108.6 Ų108.651%0.50657%0.567SS.*  trans-59.3143.2178.7-24.233.7000112.8V225 F226 Q227P223-V225 PolarHBondContact O-N 3.44Å; P223-F226 HydrophobicContact CB-CD2 4.25Å; P223-F226 HydrophobicContact CG-CD2 4.46Å; P223-F226 WeakPolarHBondContact O-CB 3.25Å; P223-F226 PolarHBondContact O-N 3.33Å; P223-Q227 PolarHBondContact O-N 2.78Å
224D54.2Low50.4Low87 Ų87113.7 Ų113.747%0.46558%0.582SS.*Hα-helixtrans-55.3-28.1-169.4-16660.1000114.6F226 R228D224-F226 VanDerWaalsContact C-N 3.33Å; D224-F226 PolarHBondContact O-N 3.5Å; D224-R228 WeakPolarHBondContact O-CG 3.16Å; D224-R228 PolarHBondContact O-N 2.99Å; D224-R228 IonicContact OD2-CZ 3.21Å; D224-R228 IonicContact OD2-NE 2.66Å; D224-R228 PolarHBondContact OD2-NE 3.46Å; D224-R228 IonicContact OD2-NH2 3.17Å; D224-R228 PolarHBondContact OD2-NH2 3.31Å
225V50.4Low49.3Very low98 Ų98111.1 Ų111.159%0.59458%0.583SS**Hα-helixtrans-63.8-35174.8-174.80000112.5P223P223-V225 PolarHBondContact O-N 3.44Å
226F51.4Low48.5Very low61 Ų61108.6 Ų108.627%0.26860%0.596SS.*Hα-helixtrans-78.7-42.9-179.8-75-103000111.6L204 F212 L222 P223 D224 R228 Q229 T230L204-F226 HydrophobicContact CD1-CD1 4.04Å; L204-F226 HydrophobicContact CD1-CE1 3.37Å; L204-F226 HydrophobicContact CD1-CZ 3.94Å; F212-F226 HydrophobicContact CD2-CE1 4.32Å; F212-F226 HydrophobicContact CE2-CE1 4.14Å; L222-F226 HydrophobicContact CD2-CB 4.45Å; P223-F226 HydrophobicContact CB-CD2 4.25Å; P223-F226 HydrophobicContact CG-CD2 4.46Å; P223-F226 WeakPolarHBondContact O-CB 3.25Å; P223-F226 PolarHBondContact O-N 3.33Å; D224-F226 VanDerWaalsContact C-N 3.33Å; D224-F226 PolarHBondContact O-N 3.5Å; F226-R228 PolarHBondContact O-N 3.47Å; F226-Q229 PolarHBondContact O-N 2.84Å; F226-T230 PolarHBondContact O-N 3.18Å; F226-T230 VanDerWaalsContact O-N 3.16Å; F226-T230 PolarHBondContact O-OG1 3.45Å
227Q55.9Low47.7Very low70 Ų70108 Ų10833%0.32760%0.599SS.*Hα-helixtrans-57.1-36179.7-59.8-16625.800112.5L222 P223 Q229 T230 K231L222-Q227 HydrophobicContact CB-CG 4.11Å; L222-Q227 PolarHBondContact O-NE2 2.98Å; P223-Q227 PolarHBondContact O-N 2.78Å; Q227-Q229 VanDerWaalsContact C-N 3.29Å; Q227-Q229 PolarHBondContact O-N 3.2Å; Q227-T230 PolarHBondContact O-OG1 3.23Å; Q227-K231 WeakPolarHBondContact O-CG 3.49Å; Q227-K231 PolarHBondContact O-N 3.14Å
228R55.5Low47.1Very low175 Ų175108.3 Ų108.366%0.6660%0.598SS**Hα-helixtrans-70.6-19.4176-64.6175.4-166.4-143.55.6113.7D224 F226 I232D224-R228 WeakPolarHBondContact O-CG 3.16Å; D224-R228 PolarHBondContact O-N 2.99Å; D224-R228 IonicContact OD2-CZ 3.21Å; D224-R228 IonicContact OD2-NE 2.66Å; D224-R228 PolarHBondContact OD2-NE 3.46Å; D224-R228 IonicContact OD2-NH2 3.17Å; D224-R228 PolarHBondContact OD2-NH2 3.31Å; F226-R228 PolarHBondContact O-N 3.47Å; R228-I232 VanDerWaalsContact O-CD1 3.23Å; R228-I232 WeakPolarHBondContact O-CD1 3.34Å; R228-I232 WeakPolarHBondContact O-CG1 3.34Å
229Q50.8Low46.4Very low29 Ų29113.4 Ų113.414%0.13661%0.608CS.*Hα-helixtrans-95.7-27.6-179.7-65.5-16722.200113.8N202 R203 L209 F226 Q227N202-Q229 PolarHBondContact O-NE2 2.98Å; R203-Q229 PolarHBondContact NH2-O 3.46Å; R203-Q229 VanDerWaalsContact NH2-O 3.07Å; L209-Q229 HydrophobicContact CD2-CB 4.21Å; F226-Q229 PolarHBondContact O-N 2.84Å; Q227-Q229 VanDerWaalsContact C-N 3.29Å; Q227-Q229 PolarHBondContact O-N 3.2Å
230T51.6Low45.5Very low55 Ų55111.4 Ų111.434%0.33760%0.603SS.*Hα-helixtrans-77.4-44.6176.652.20000111.9L209 F226 Q227 I232 G233L209-T230 HydrophobicContact CD2-CG2 4.35Å; F226-T230 PolarHBondContact O-N 3.18Å; F226-T230 VanDerWaalsContact O-N 3.16Å; F226-T230 PolarHBondContact O-OG1 3.45Å; Q227-T230 PolarHBondContact O-OG1 3.23Å; T230-I232 PolarHBondContact O-N 3.2Å; T230-G233 PolarHBondContact O-N 3.1Å
231K47.9Very low44.3Very low160 Ų160113.1 Ų113.170%0.69660%0.602SS**THydrogen-bonded Turntrans-62.6-3.7179.2-71.2173.5176.7167.50115.1Q227 G233Q227-K231 WeakPolarHBondContact O-CG 3.49Å; Q227-K231 PolarHBondContact O-N 3.14Å; K231-G233 VanDerWaalsContact C-N 3.33Å
232I46.4Very low42.9Very low115 Ų115114.8 Ų114.859%0.5961%0.607SS**THydrogen-bonded Turntrans-96.218.7171-46174.4000110.7R203 R228 T230R203-I232 PolarHBondContact NH2-O 2.83Å; R228-I232 VanDerWaalsContact O-CD1 3.23Å; R228-I232 WeakPolarHBondContact O-CD1 3.34Å; R228-I232 WeakPolarHBondContact O-CG1 3.34Å; T230-I232 PolarHBondContact O-N 3.2Å
233G41.1Very low41.4Very low58 Ų58121.3 Ų121.360%0.59863%0.627SS**SBendtrans-97.9-33.6177.800000114.4T230 K231T230-G233 PolarHBondContact O-N 3.1Å; K231-G233 VanDerWaalsContact C-N 3.33Å
234E38.3Very low39.8Very low189 Ų189122.8 Ų122.888%0.88364%0.638SS**  trans-113.866.5-159.2-61.2-171.2142.800113.3
235S33.5Very low38.4Very low96 Ų96124.6 Ų124.667%0.67166%0.655SS**  trans-152.870.3166.465.90000111.5G237S235-G237 PolarHBondContact O-N 3.23Å
236G37.4Very low37Very low93 Ų93125.8 Ų125.896%0.95967%0.668SS**  trans-78.593.617400000112
237G29.2Very low35.8Very low47 Ų47128.4 Ų128.449%0.48569%0.693SS.*  trans-161.4147.217600000112.4S235S235-G237 PolarHBondContact O-N 3.23Å
238P32.9Very low34.3Very low125 Ų125134.1 Ų134.181%0.81272%0.72SS**  trans-78.5124.5-170.930.2-34.4000112.7N240P238-N240 PolarHBondContact O-N 3.28Å
239W29.4Very low32.7Very low244 Ų244130.6 Ų130.692%0.92472%0.722SS**  trans-78.389.8179.4-77.671.8000111.9R241W239-R241 PolarHBondContact O-N 3.35Å
240N28.6Very low31.4Very low149 Ų149136.7 Ų136.780%0.79775%0.751SS**  trans-7195174.8-106.9-25.8000111.9P238P238-N240 PolarHBondContact O-N 3.28Å
241R29Very low30.1Very low202 Ų202141.6 Ų141.676%0.76277%0.77SS**  trans38.195.1140.9-173.8170.9-123.1132.25.2117.2W239W239-R241 PolarHBondContact O-N 3.35Å
242F24.2Very low29.1Very low217 Ų217140.5 Ų140.595%0.95277%0.772SS**PPolyproline II helixtrans-82.1116.3148.2-88.3-87.2000110.1
243R24.4Very low28.1Very low200 Ų200140.5 Ų140.576%0.75577%0.773SS**PPolyproline II helixtrans-98.3122.7170.6178.2-160.2-70.3-112.16.8107.2
244C22.8Very low27.4Very low108 Ų108145.3 Ų145.373%0.7378%0.779SS**PPolyproline II helixtrans-62.9135.3170.2-59.20000109.9S246C244-S246 PolarHBondContact O-N 2.84Å
245P24.8Very low27Very low125 Ų125144.8 Ų144.881%0.81278%0.777SS**  trans-74.9113.6177.129.4-32.6000110.6
246S22.9Very low26.7Very low124 Ų124147.7 Ų147.787%0.86779%0.785SS**  trans-99.9123.8160.4-58.30000108.1C244C244-S246 PolarHBondContact O-N 2.84Å
247S24.8Very low26Very low116 Ų116149.1 Ų149.181%0.81178%0.78SS**  trans-121.2108.9179.641.70000111.5
248Q24Very low25.8Very low189 Ų189158.2 Ų158.288%0.88380%0.8SS**  trans-128.5130.1158.2-79.3-170.3-54.600109.2
249S22.8Very low25.4Very low102 Ų102157 Ų15771%0.71380%0.801SS**  trans3.4124.9154.854.20000118.9
250Q23.8Very low25.3Very low157 Ų157153.3 Ų153.373%0.73480%0.798SS**  -163.7136.387.3-92.5175.7-90.600108.1
251E24.5Very low26.1Very low158 Ų158151.2 Ų151.274%0.73879%0.793SS**  58.6121.8110.2-56.9170.8151.300112.5
252D25.4Very low26.5Very low137 Ų137147.1 Ų147.173%0.73379%0.792SS**  -157.914957.9-129.6-33.3000116.8
253N26.6Very low26.6Very low114 Ų114146.1 Ų146.161%0.6179%0.79SS**  trans43.4139.2149.6-92.8-65.3000127.3
254H27.2Very low26.7Very low159 Ų159140 Ų14074%0.73679%0.789SS**  trans67.8144.9162.9-44.3-36.6000117.5
255Q28.8Very low26.9Very low179 Ų179142.1 Ų142.184%0.83679%0.793SS**  cis-122.6156.37-125.895.6-4.700112
256N27.3Very low27.1Very low157 Ų157141.5 Ų141.584%0.8479%0.787SS**  trans-112.2132.4167.4-107.2-12.4000110.6
257S23.8Very low27.4Very low122 Ų122147.4 Ų147.485%0.85379%0.791SS**  trans-157.3153.1157.1-163.90000110.6
258W23.6Very low27.5Very low239 Ų239148.8 Ų148.891%0.90579%0.789SS**  trans-104.1149.8-166.9-74.734.4000113.7
259A25.8Very low27.7Very low100 Ų100145.9 Ų145.983%0.82678%0.777SS**  trans-159.6154.5148.800000111.7
260L26.5Very low28Very low165 Ų165150.7 Ų150.786%0.86478%0.779SS**  trans-127.1171.3173.8-89.9172.6000109.8
261P46.1Very low28.5Very low106 Ų106150.2 Ų150.269%0.68878%0.781SS**  trans-106.2175.4-152.241.4-39.2000116.1
262P36.6Very low28.8Very low115 Ų115147.5 Ų147.575%0.74778%0.78SS**  trans-106.8141141.77.414000110.3
263Q27.3Very low29Very low196 Ų196145.1 Ų145.192%0.91678%0.779SS**  77.5137.357.9-77.9-165-7.600116.2
264G26.1Very low29.3Very low71 Ų71144.8 Ų144.873%0.73279%0.786SS**  trans100.8138169.600000115.3
265D25.7Very low29.7Very low153 Ų153145.5 Ų145.582%0.81879%0.786SS**  cis-172.9144.1-33.4-121.8-13.7000107
266V28.9Very low29.9Very low113 Ų113143.8 Ų143.869%0.68578%0.782SS**  trans7.5124.1154.2-160.50000119.3
267R29.1Very low30.1Very low248 Ų248144.2 Ų144.294%0.93678%0.777SS**  -173.8171.6121-99.9159-146.3-137.93.3115
268D28.4Very low30.3Very low145 Ų145149.1 Ų149.178%0.77578%0.777SS**  trans-129.4165.3-145.9-146-29.2000113.2
269M28.6Very low30.7Very low128 Ų128142.2 Ų142.263%0.63177%0.77SS**  trans72.7135150-90.9-164.4172.100124.7
270R27.8Very low30.9Very low202 Ų202142 Ų14276%0.76276%0.762SS**  trans73.2152.9147.1-63168.8-164.8-153.85.4117.3
271L33.8Very low31.2Very low148 Ų148141.2 Ų141.278%0.77576%0.759SS**  cis-167.6170.6-13.2-104.4171.6000106.9
272S30.5Very low30.6Very low101 Ų101143.7 Ų143.771%0.70676%0.761SS**  cis-148.9143.64-166.40000113.9
273A30.4Very low30.3Very low86 Ų86145 Ų14571%0.71176%0.762SS**  trans-30.4143.2160.100000121.5
274S33.4Very low30.5Very low108 Ų108143.3 Ų143.376%0.75576%0.759SS**  trans-170.7146.7149-84.30000109.3
275K35Very low30.8Very low173 Ų173150.7 Ų150.775%0.75277%0.765SS**  cis-164134.9-4.7-114.5171.4-175171.20108.8
276L34.1Very low30.8Very low144 Ų144148.9 Ų148.975%0.75476%0.763SS**  trans62.4148.3152-52.4167.9000117.7
277K30.2Very low30.8Very low165 Ų165151.3 Ų151.372%0.71777%0.771SS**  cis-158.6151.1-12.9-127.6174.9-175.9176.80108.8
278R28.1Very low31Very low226 Ų226146.8 Ų146.885%0.85376%0.764SS**  trans16.4148.5140.4-78.5-179.5-178129.58.3119.9
279A32.5Very low30.9Very low93 Ų93147.3 Ų147.377%0.76977%0.766SS**  cis-168174.822.600000109.6
280S30.2Very low31Very low95 Ų95149.7 Ų149.766%0.66477%0.773SS**  cis-174.3-174.1-20.3-169.10000106.7
281L33.1Very low31.2Very low150 Ų150146.6 Ų146.679%0.78578%0.777SS**  trans74.383.3178.6-60.5154.4000112
282Q33.1Very low30.9Very low158 Ų158147 Ų14774%0.73878%0.78SS**  91.5131.862.1-73.8171.7-103.300113.1
283D30.1Very low30.8Very low142 Ų142148.4 Ų148.476%0.75979%0.789SS**  trans-56.1165.4169.1-41.5-98.4000110.6
284D31Very low30.7Very low161 Ų161154.1 Ų154.186%0.86180%0.8SS**  -153.5163.570.9-103.3-47.1000115
285R31.8Very low30.4Very low226 Ų226152.6 Ų152.685%0.85380%0.802SS**  trans-89153.1165.4-60.7177.5177.1-173.2-0.7109.9
286C26.2Very low30.2Very low115 Ų115154.3 Ų154.378%0.77781%0.809SS**  159.3175.5113-89.20000114
287L28.8Very low30.9Very low164 Ų164153.3 Ų153.386%0.85981%0.812SS**  trans76.4102157.3-74.2155.5000119.1
288I33.3Very low30.8Very low152 Ų152149 Ų14978%0.77981%0.813SS**  trans-33.5145.1139.2-45.7164.4000111.7
289D27.2Very low30.7Very low156 Ų156142.5 Ų142.583%0.83481%0.808SS**  trans-141.3162.8144-148.6-12.1000111.9
290K30.9Very low30.5Very low179 Ų179146.2 Ų146.278%0.77882%0.815SS**  trans-125.4134.1176.9-74.5-177.8176.1-177.70110.4
291T31.2Very low30.6Very low136 Ų136147.6 Ų147.683%0.83482%0.819SS**  trans-135.5115.3163.456.10000111
292D27.1Very low30.5Very low156 Ų156146.8 Ų146.883%0.83482%0.816SS**  trans-72.4146.8166.6-73.6-72.7000111
293C28.5Very low30.4Very low132 Ų132146.4 Ų146.489%0.89282%0.818SS**  trans-145.5120163.8-104.40000109.7
294Q29.6Very low30.4Very low205 Ų205142 Ų14296%0.95881%0.807SS**  trans-93.8139.3173.6-64.7-171.86.500111
295G26Very low30.4Very low76 Ų76140.4 Ų140.478%0.78481%0.809SS**  trans-172.2130.2174.300000113.1
296K31.9Very low30.4Very low209 Ų209139 Ų13991%0.90981%0.812SS**  trans-159.8167.1-178.2-101.8-172.7-177.8-178.60108.3
297P48.6Very low30.6Very low124 Ų124141.4 Ų141.481%0.80582%0.815SS**  cis-134.6-178.7-13.538.2-20.9000114.5
298G27.3Very low30.7Very low73 Ų73138.1 Ų138.175%0.75381%0.811SS**  trans122160.3152.800000116.3
299A26.6Very low30.5Very low91 Ų91136.3 Ų136.375%0.75281%0.812SS**  cis-166.9139.2-20.300000110.7
300L28.7Very low30.8Very low171 Ų171138.3 Ų138.390%0.89581%0.814SS**  trans64.5160.6172.4-51.5169.9000114.8
301T32Very low31.2Very low124 Ų124135.7 Ų135.776%0.76182%0.815SS**  cis-126.2172.52.957.80000111.8
302N30.9Very low31.3Very low133 Ų133138.4 Ų138.471%0.71182%0.815SS**  trans-74-173.7158-35.7-7.4000110
303D30.1Very low31.7Very low149 Ų149137.3 Ų137.380%0.79782%0.817SS**  cis-153172-0.4-121.2-50.9000105.8
304G29.8Very low31.6Very low51 Ų51138.1 Ų138.153%0.52681%0.811SS.*  cis166.7146.63.300000109.5
305S31.1Very low31.8Very low127 Ų127136.6 Ų136.689%0.88881%0.809SS**  trans-160.2145175.9-74.90000112.1
306Q32.9Very low32Very low197 Ų197141.7 Ų141.792%0.92181%0.809SS**  trans-84.1139.4-168.4-62.9171.3-2.500113.3
307I29.3Very low31.9Very low165 Ų165137.1 Ų137.185%0.84680%0.804SS**  trans-125127162.4-63.1179.2000107.8
308A30.7Very low31Very low94 Ų94141.4 Ų141.478%0.77781%0.81SS**PPolyproline II helixtrans-70.2140.617800000111.4
309S29Very low31Very low115 Ų115144 Ų14480%0.80481%0.811SS**PPolyproline II helixtrans-91.4136.2-16847.70000114.1
310F34.9Very low31.1Very low198 Ų198148.6 Ų148.687%0.86882%0.817SS**PPolyproline II helixtrans-83.5131.3161.6-70.6-91.4000110.1
311P38.8Very low31.1Very low124 Ų124146.2 Ų146.281%0.80582%0.815SS**PPolyproline II helixtrans-78.3140.5172.831.3-33.2000111.7
312K32.5Very low30.9Very low192 Ų192144 Ų14484%0.83582%0.816SS**  trans-118.5138.1165.2-71.5-177.6178178.70109.3
313P35.5Very low30.8Very low133 Ų133147.7 Ų147.786%0.86483%0.826SS**  trans-72.6140.9-179.129.7-34.5000111.8
314L27.2Very low30.7Very low149 Ų149144.8 Ų144.878%0.7882%0.823SS**  trans-103105179.9-96.9167.2000111.8K316L314-K316 HydrophobicContact CD2-CG 4.49Å
315L34Very low30.5Very low174 Ų174150.8 Ų150.891%0.91184%0.842SS**  trans-78.4116.5159-95.9163.6000109.4
316K29.8Very low30.4Very low182 Ų182153.7 Ų153.779%0.79184%0.841SS**  trans-140.7108.7162.2-75.8-168.8176.7173.80111.4L314L314-K316 HydrophobicContact CD2-CG 4.49Å
317S30.4Very low30.1Very low113 Ų113153.8 Ų153.879%0.7984%0.842SS**  trans-74.4154.6157.849.60000110.4
318K29.3Very low30Very low214 Ų214155.1 Ų155.193%0.9384%0.841SS**  trans-152.6151.3152.8-124-178-178.9-171.80110.4
319T26.5Very low29.8Very low127 Ų127157.6 Ų157.678%0.77985%0.847SS**  trans-119.6169.4-165.9-400000110.4
320Q30.5Very low29.6Very low188 Ų188161.1 Ų161.188%0.87985%0.848SS**  trans95.6150.6172.4-57.3176.1-8.800115.3
321S28Very low30.1Very low121 Ų121156.5 Ų156.585%0.84684%0.837SS**  cis-178.7123.2-29.3-179.40000106.5
322G26.9Very low29.5Very low77 Ų77159.2 Ų159.279%0.79484%0.839SS**  trans-163.6119.1-179.900000114
323K30.1Very low29.2Very low212 Ų212155.7 Ų155.792%0.92283%0.834SS**  trans-96.6159.1168.7-67.1-178.6-174.2179.20108.2
324A27Very low29Very low87 Ų87157.5 Ų157.572%0.71983%0.831SS**  cis-169.6166-16.900000107.4
325L27.1Very low29Very low178 Ų178158.8 Ų158.893%0.93283%0.833SS**  trans-178161136.3-101160000110.3
326Q28.2Very low28.9Very low187 Ų187153.7 Ų153.787%0.87482%0.816SS**  trans-113.8144.6173-62.41772.700108.9
327E25.6Very low28.9Very low199 Ų199150.3 Ų150.393%0.9382%0.815SS**  trans-147.5156.8143.3-159.8155.2-164.800111
328K27.3Very low28.7Very low193 Ų193151.4 Ų151.484%0.83981%0.812SS**  trans-87.6154.3177.3-66.6170.5175.2172.50110.3
329V26.5Very low28.8Very low146 Ų146149.7 Ų149.789%0.88581%0.809SS**  -169.7153.9120.6141.40000109.7
330K25.8Very low29Very low190 Ų190147.8 Ų147.883%0.82681%0.807SS**  trans-163.6168.9-179.5-132.3-149.6179.6-174.30107
331P46.2Very low30.4Very low100 Ų100144 Ų14465%0.64980%0.798SS**  cis-120.9174.6-48.438.3-26.1000112
332Q25.9Very low30.4Very low181 Ų181147.7 Ų147.785%0.84680%0.8SS**  trans-142.2134.5139.6-66.7-164.9-31.400107.6
333T26.6Very low30.6Very low119 Ų119148.5 Ų148.573%0.7379%0.793SS**  57.9134.678.41.70000112.3
334E29.6Very low30.8Very low171 Ų171149.6 Ų149.680%0.79979%0.791SS**  cis-140151.827.8-66.4-177.215700112.6
335E27.9Very low31Very low176 Ų176156.6 Ų156.682%0.82280%0.799SS**  60.7149106.6-55.3-86.3120.600117.4
336A31Very low31.1Very low67 Ų67151.9 Ų151.955%0.55479%0.794SS**  cis-173.9151-28.700000110
337S30.4Very low31.5Very low110 Ų110151.8 Ų151.877%0.76979%0.793SS**  trans64160.5153.281.60000119.3
338D27.4Very low32Very low136 Ų136150.4 Ų150.473%0.72779%0.787SS**  cis-159161.8-27-123.7-45.4000113.9
339M30.9Very low32.4Very low178 Ų178150 Ų15088%0.87779%0.785SS**  trans54166.9151.8-76.1-65.5165.200123.3
340A30.8Very low32.6Very low87 Ų87154.6 Ų154.672%0.71979%0.786SS**  trans-129.4-137.6-169.500000112.5
341P59.7Low32.8Very low108 Ų108148.8 Ų148.870%0.70178%0.78SS**  -105.8-176.3-8839.2-29.5000113.2
342F27.3Very low32.2Very low200 Ų200149.7 Ų149.788%0.87779%0.789SS**  -175.8170.1128-107.1-68.7000115.1
343S31.5Very low32.6Very low94 Ų94149.6 Ų149.666%0.65779%0.793SS**  trans-93.7162.4-163-28.40000116.3
344R33.4Very low32.8Very low235 Ų235147.8 Ų147.889%0.88780%0.798SS**  trans171.4166.7130.5-92.8157.9-170.8-155.95.6110.3
345R31.7Very low33Very low234 Ų234145 Ų14588%0.88380%0.798SS**  cis166.3118.2-27.7179.8-166.6-149.4-1659.5106.5
346G28.7Very low33.1Very low79 Ų79142.8 Ų142.881%0.81480%0.796SS**  trans-168.1133.6-178.200000117
347Q36.8Very low33.1Very low184 Ų184143.6 Ų143.686%0.8680%0.797SS**  trans-71158.6-174.7-64.3168.9-4.900113.3
348Q36Very low33.4Very low170 Ų170148.1 Ų148.179%0.79480%0.798SS**  cis86.6139.138.9-126.9-165.631.300115.9
349K36.2Very low34Very low184 Ų184149.8 Ų149.880%0.880%0.801SS**  trans81.9155.2172-63.1178.4-179.7175.50118.7
350R31.2Very low34Very low244 Ų244146.4 Ų146.492%0.92179%0.786SS**  cis-174.3140.9-37.7-143.8-175.1-164.2-159.75.8111.1
351G30.3Very low34.2Very low68 Ų68151.2 Ų151.270%0.70179%0.791SS**  trans74.3175.7162.900000116.8
352S33.4Very low33Very low118 Ų118154.2 Ų154.283%0.82580%0.8SS**  cis-165.4149.5-18.1-970000111.9
353L33.3Very low33.2Very low180 Ų180151.7 Ų151.794%0.94280%0.795SS**  trans12.9131.1159.4-59.6171.8000121.5
354G31.3Very low33.2Very low80 Ų80157.2 Ų157.283%0.82581%0.807SS**  trans-16015516200000110.6
355S33.3Very low33.6Very low114 Ų114151.7 Ų151.780%0.79780%0.802SS**  trans-151.7169.7-166.268.30000116.2
356V31.3Very low33.5Very low129 Ų129151.9 Ų151.978%0.78280%0.803SS**  trans85.5127.4165.4178.20000118.4
357S31.2Very low33.6Very low84 Ų84156.9 Ų156.959%0.58781%0.805SS**  trans20.8139.4149.6-65.80000120
358R36.7Very low33.4Very low205 Ų205157.3 Ų157.377%0.77481%0.807SS**  cis-174.5-178.717.4-111.5166.3-141.3-163.1-1.3107.6
359H38.5Very low33.2Very low170 Ų170158.3 Ų158.379%0.78781%0.814SS**  cis-160173.27.4-140.2-11.5000112.7
360N32.1Very low32.8Very low107 Ų107158.5 Ų158.557%0.57282%0.818SS**  trans56.6121.2147.8-75.8-18.8000124.2
361K35Very low32.9Very low188 Ų188153.3 Ų153.382%0.81781%0.813SS**  trans69.9133.5149.6-57.8174.2-177.8-1780115.9
362L34Very low33Very low172 Ų172159.1 Ų159.190%0.90182%0.822SS**  cis-127.7179.326.7-77.3165.7000114.5
363L32.1Very low32.9Very low146 Ų146165 Ų16576%0.76483%0.826SS**  trans-94.1156.6-178.7-67.3156.5000112
364F31.1Very low33.3Very low210 Ų210164.1 Ų164.192%0.92182%0.821SS**  -168.8132.2110.4-89.2-62.6000110
365P40.8Very low33.7Very low119 Ų119166 Ų16677%0.77382%0.819SS**PPolyproline II helixtrans-91.5171.9-177.336.9-35.3000113.6
366R30.9Very low33.6Very low239 Ų239164.2 Ų164.290%0.90282%0.818SS**PPolyproline II helixtrans-97.8148.7178.5173.8177.1173.5166.8-2.7111
367E30.8Very low33.6Very low183 Ų183170 Ų17086%0.85583%0.826SS**PPolyproline II helixtrans-76.7140.7-179.5-59.3169.6132.900112.9
368E31.8Very low33.8Very low193 Ų193170 Ų17090%0.90283%0.831SS**  trans-132.8150.1152.2-71.3-167.7148.200107.8
369M31.8Very low34.4Very low192 Ų192166.7 Ų166.795%0.94684%0.836SS**  trans-90.6131.7-167.4-58.9173.689.500112.5
370E29Very low34.2Very low187 Ų187162 Ų16287%0.87483%0.834SS**  trans-115.2157.1159.5-83.1-156.1140.400112.2
371T31.8Very low34.3Very low136 Ų136166.3 Ų166.383%0.83485%0.848SS**  trans-38.8127.4-175.455.40000117.2
372E32.5Very low34.5Very low189 Ų189164 Ų16488%0.88385%0.849SS**  trans-78.5144.4166-72-150.2136.200113.5
373R31.2Very low34.4Very low242 Ų242158.9 Ų158.991%0.91384%0.838SS**  trans-109.1127.3164-92.1-179.6168.2173.5-2.5109.6
374I42.6Very low34.7Very low161 Ų161161 Ų16183%0.82685%0.849SS**  trans-80.3127177.4-60.4172.6000110.7
375P38.7Very low34.8Very low120 Ų120154.2 Ų154.278%0.77984%0.839SS**  trans-87168.2168.536.2-34.2000111.8
376G32.7Very low34.8Very low77 Ų77154.4 Ų154.479%0.79484%0.838SS**  trans-153.9153.3-176.600000117.5
377R30.3Very low35.2Very low251 Ų251154.1 Ų154.195%0.94784%0.837SS**  trans-178.9159.3167.9-99.5-166.8159.8-178.6-6.1106.9
378A35.8Very low35.6Very low83 Ų83153.2 Ų153.269%0.68684%0.837SS**  cis-162.3-161.5-25.400000107.2
379P49Very low35.9Very low135 Ų135152.4 Ų152.488%0.87784%0.838SS**  trans-114.6164.2-132.433.1-13.7000117.1
380G33.4Very low36.5Very low73 Ų73154 Ų15475%0.75383%0.833SS**  trans-158.1101.717600000116.2
381F34.1Very low36.8Very low197 Ų197155.1 Ų155.186%0.86483%0.829SS**  trans31.8127.2145.4-103.5-111.6000124.5
382V39.1Very low37.1Very low139 Ų139158.2 Ų158.284%0.84283%0.832SS**  trans54.3149.9152.9-60.80000120.8
383G32.3Very low37.3Very low64 Ų64155 Ų15566%0.6683%0.825SS**  cis171169-5.700000113.1
384L39.1Very low37.9Very low191 Ų191148.2 Ų148.2100%182%0.821SS**  trans71154.4-178.2-54.7169.6000116.2
385G33Very low38.3Very low68 Ų68146.2 Ų146.270%0.70182%0.818SS**  trans150.8-15171.800000120.4
386T39.9Very low38.2Very low123 Ų123148 Ų14876%0.75582%0.817SS**  trans43.5115.3167.9520000122.3
387R40.6Very low38.2Very low233 Ų233154.4 Ų154.488%0.87982%0.823SS**  trans84.6150.9132.9-67.7177.3174.9-179.1-0.9121.4
388L37.9Very low38.4Very low163 Ų163149.6 Ų149.685%0.85381%0.813SS**  trans68.180.9164.3-67.4169.4000119
389L39.7Very low38.3Very low177 Ų177156.2 Ų156.293%0.92782%0.82SS**  -162.9131.1117.8-103.3159.5000109.7
390R44.3Very low37.5Very low226 Ų226158 Ų15885%0.85382%0.819SS**  trans-127.7116.4-179.4-114.4-170.1-178.2178.71.9109.7
391R35.5Very low37.4Very low209 Ų209160.3 Ų160.379%0.78982%0.818SS**  trans65142.9162-64.2175.8164170-7.1114.2
392F36.5Very low37.5Very low201 Ų201158.5 Ų158.588%0.88282%0.816SS**  cis-126.2146.738-101.4-100.2000115.4
393T36.9Very low37.2Very low121 Ų121158.8 Ų158.874%0.74281%0.812SS**  trans-105.1131.9170.745.80000109.5
394A43.6Very low37Very low101 Ų101162 Ų16284%0.83582%0.823SS**  trans-81.1153.5165.700000110.9
395P50.9Low36.6Very low118 Ų118158.1 Ų158.177%0.76681%0.812SS**  trans-109.5141.5163.535.6-27.2000112.9
396E37.7Very low36.7Very low159 Ų159160.9 Ų160.974%0.74382%0.821SS**  trans-55155.7164.9-69.5-79.1127.900113.2
397F32.4Very low36.2Very low210 Ų210158.9 Ų158.992%0.92182%0.824SS**  trans-149.4137.2146.5-109.5-78.1000110.9
398M34.1Very low35.8Very low150 Ų150153.7 Ų153.774%0.73982%0.824SS**  trans-135.3155.2-177.7-164.2-155.3-72.400110.5
399R34.6Very low35.6Very low223 Ų223151 Ų15184%0.84282%0.819SS**  trans80.4152179-54.5176.9158.1-175.4-8.8113.6
400M31Very low35.6Very low172 Ų172150.5 Ų150.585%0.84782%0.817SS**  cis-123.1165.911-80-175.9158.300114.2
401V32.6Very low35.1Very low122 Ų122151.3 Ų151.374%0.73982%0.82SS**  trans-89.9136.2164.8173.60000109.3
402I35Very low35.5Very low159 Ų159153.4 Ų153.482%0.81583%0.828SS**  trans-140.6125.1157.1-61.8-176.7000107.1
403D34Very low35.5Very low144 Ų144147.5 Ų147.577%0.7782%0.824SS**  trans-79.4144.4175-62-66.3000111.8
404C27.1Very low35.8Very low132 Ų132153.5 Ų153.589%0.89283%0.833SS**  trans-161.9122.6156.4-128.50000111.4
405S31.6Very low35.4Very low110 Ų110157.3 Ų157.377%0.76984%0.836SS**  trans-88.8154.8179.6-69.20000112.9
406S35Very low35Very low125 Ų125157.3 Ų157.387%0.87484%0.838SS**  trans49.6105.8153.158.20000118.8
407G28.4Very low35.1Very low81 Ų81161 Ų16184%0.83585%0.845SS**  trans-159.5121.3165.700000112.7
408S33.1Very low35.5Very low124 Ų124155.8 Ų155.887%0.86784%0.835SS**  trans-84.2136.2177.5178.20000111.8
409S33Very low36.1Very low108 Ų108158 Ų15876%0.75584%0.844SS**  trans-172.9149.6140.7480000113.5
410N40.5Very low36.6Very low166 Ų166152.6 Ų152.689%0.88884%0.836SS**  trans-68.7125.5174.6-76.2-51.5000112.4
411R34.5Very low37Very low243 Ų243155 Ų15592%0.91784%0.837SS**  trans-138.5139.3150.3-73.2-161.1175.1-128.8-5.1112G413R411-G413 PolarHBondContact O-N 3.38Å
412R44Very low37.5Very low253 Ų253154.7 Ų154.796%0.95584%0.838SS**  trans-78.1109.5-177.5-57.1177.5-167.6173.43.9109.7R414R412-R414 PolarHBondContact O-N 3.46Å
413G35.7Very low37.9Very low77 Ų77154.9 Ų154.979%0.79484%0.839SS**  trans-73.1106.517600000112.3R411 M415R411-G413 PolarHBondContact O-N 3.38Å; G413-M415 PolarHBondContact O-N 3.3Å
414R42.8Very low38.4Very low246 Ų246152.3 Ų152.393%0.92883%0.833SS**PPolyproline II helixtrans-69.7118.1158.3-96.4-175.9164.9-166-2.8107.9R412 S416R412-R414 PolarHBondContact O-N 3.46Å; R414-S416 PolarHBondContact O-N 3.42Å
415M35.6Very low39.6Very low182 Ų182154.7 Ų154.790%0.89783%0.83SS**PPolyproline II helixtrans-72.6120.1167.4-70.6164.76200109.3G413G413-M415 PolarHBondContact O-N 3.3Å
416S41.7Very low40.6Very low117 Ų117155.5 Ų155.582%0.81883%0.831SS**PPolyproline II helixtrans-63.1133.1168.2-58.80000109.5R414 S418R414-S416 PolarHBondContact O-N 3.42Å; S416-S418 PolarHBondContact O-N 2.88Å
417R40.7Very low41.1Very low236 Ų236158.1 Ų158.189%0.89183%0.829SS**PPolyproline II helixtrans-68.7129.4174.6-63.3174.284.6146.41.4108.1E419R417-E419 PolarHBondContact O-N 2.81Å
418S39.7Very low42Very low102 Ų102162.8 Ų162.871%0.71383%0.829SS**PPolyproline II helixtrans-67.5119.417553.80000110.3S416 T420S416-S418 PolarHBondContact O-N 2.88Å; S418-T420 PolarHBondContact O-N 2.97Å; S418-T420 VanDerWaalsContact O-N 3.1Å
419E47.1Very low42.7Very low196 Ų196165.3 Ų165.392%0.91683%0.827SS**  trans-71100.9173.1-64.6-177.6159.800109.2R417R417-E419 PolarHBondContact O-N 2.81Å
420T46Very low43.1Very low109 Ų109166.1 Ų166.167%0.66983%0.827SS**  trans-149.339.6-178.6-350000112.1S418S418-T420 PolarHBondContact O-N 2.97Å; S418-T420 VanDerWaalsContact O-N 3.1Å
421Y38.3Very low43.3Very low223 Ų223165.1 Ų165.188%0.87582%0.822SS**  trans-137.3123.8167.1-82.9-84.4000109.5
422P43.5Very low44.1Very low116 Ų116158.4 Ų158.475%0.75381%0.812SS**  trans-72.1140.917330.3-33.5000110.6S424P422-S424 PolarHBondContact O-N 2.75Å
423L44.5Very low44.3Very low163 Ų163155 Ų15585%0.85381%0.807SS**  trans-75.488.8178.8-72.6167.4000111.5H425L423-H425 PolarHBondContact O-N 3.18Å
424S43.8Very low44.7Very low90 Ų90157 Ų15763%0.62981%0.806SS**  trans-85.8104.1169550000111.2P422 T426P422-S424 PolarHBondContact O-N 2.75Å; S424-T426 PolarHBondContact O-N 2.85Å
425H51.8Low44.8Very low182 Ų182150.2 Ų150.284%0.84380%0.796SS**SBendtrans-70.663.6173.2-84.5-89000112.9L423L423-H425 PolarHBondContact O-N 3.18Å
426T53.1Low45.7Very low126 Ų126148 Ų14877%0.77379%0.793SS**  trans-159.975.3168.320.10000110.2S424S424-T426 PolarHBondContact O-N 2.85Å
427H44.9Very low46.2Very low180 Ų180150 Ų15083%0.83379%0.794SS**  trans-129.5122.8162.8-118.3-84000109.4
428Q48.6Very low46.4Very low179 Ų179143.5 Ų143.584%0.83679%0.785SS**  trans-70.6128.8-179.4-166.2171.19.500109.3V430Q428-V430 PolarHBondContact O-N 3.44Å; Q428-V430 VanDerWaalsContact O-N 3.13Å
429Q46.1Very low46.8Very low177 Ų177146.2 Ų146.283%0.82779%0.79SS**  trans-66.4113178.7-77.7-178.2-57.300110.3
430V42.1Very low46.8Very low126 Ų126142.2 Ų142.276%0.76478%0.783SS**  trans-89.5108.4167.6-179.30000107.4Q428 S432Q428-V430 PolarHBondContact O-N 3.44Å; Q428-V430 VanDerWaalsContact O-N 3.13Å; V430-S432 PolarHBondContact O-N 2.95Å
431N45Very low47Very low145 Ų145141.6 Ų141.678%0.77579%0.79SS**  trans-76.970.3-179.9-71.9-18.7000111.3Q433N431-Q433 PolarHBondContact O-N 3.04Å
432S51.8Low47.1Very low102 Ų102136.2 Ų136.271%0.71378%0.78SS**  trans-72.9109170.156.60000110.3V430V430-S432 PolarHBondContact O-N 2.95Å
433Q48Very low47Very low180 Ų180138.5 Ų138.584%0.84178%0.778SS**  trans-63142.6163.8-73.8-173.7-18.400109.9N431 S435N431-Q433 PolarHBondContact O-N 3.04Å; Q433-S435 PolarHBondContact O-N 2.7Å
434P43.5Very low46.9Very low120 Ų120136.2 Ų136.278%0.77977%0.774SS**  trans-72.7107.9175.229.3-32.8000110.1V436P434-V436 PolarHBondContact O-N 3.34Å
435S45.6Very low46.7Very low103 Ų103138.8 Ų138.872%0.7278%0.776SS**  trans-65.2119.4168.753.10000110Q433 D437Q433-S435 PolarHBondContact O-N 2.7Å; S435-D437 PolarHBondContact O-N 3.11Å
436V53.1Low46.1Very low137 Ų137138.9 Ų138.983%0.8378%0.775SS**SBendtrans-75.487.8179.7-177.10000109.6P434P434-V436 PolarHBondContact O-N 3.34Å
437D53.3Low45.5Very low157 Ų157140.7 Ų140.784%0.8477%0.774SS**  trans-162.538.3160.9-97.2-30.9000111.2S435S435-D437 PolarHBondContact O-N 3.11Å
438S44.1Very low45.1Very low100 Ų100136.6 Ų136.670%0.69977%0.766SS**  trans-80119.5173-67.60000110.7S440S438-S440 PolarHBondContact O-N 2.93Å
439I48.6Very low44.8Very low160 Ų160137.7 Ų137.782%0.82176%0.764SS**  trans-76.863.5-173.6-44.3174.2000111.5V442I439-V442 HydrophobicContact CG2-CG2 4.18Å
440S48Very low44.4Very low111 Ų111134.5 Ų134.578%0.77676%0.761SS**  trans-105.59.3179.2610000114S438S438-S440 PolarHBondContact O-N 2.93Å
441A50.1Low44.5Very low97 Ų97133.9 Ų133.980%0.80276%0.763SS**  trans-118.238.9-17400000113.5
442V39.2Very low44.3Very low109 Ų109135.5 Ų135.566%0.66177%0.765SS**  trans-93.598.2168.1-177.30000108.9I439 C444I439-V442 HydrophobicContact CG2-CG2 4.18Å; V442-C444 PolarHBondContact O-N 3.43Å
443K41.4Very low43.9Very low165 Ų165136.3 Ų136.372%0.71777%0.771SS**  trans-80.896175.2-173.1-167.2-175.8-164.90109.1E445K443-E445 HydrophobicContact CD-CG 4.17Å; K443-E445 WeakPolarHBondContact CD-OE1 3.49Å; K443-E445 WeakPolarHBondContact CE-OE1 3.33Å; K443-E445 HydrophobicContact CG-CG 4.25Å; K443-E445 IonicContact NZ-OE1 3.07Å; K443-E445 PolarHBondContact NZ-OE1 3.05Å; K443-E445 PolarHBondContact O-N 3.33Å; K443-E445 VanDerWaalsContact O-N 3.08Å
444C42.3Very low43.7Very low115 Ų115133.3 Ų133.378%0.77777%0.765SS**  trans-70.4101.4172.2-62.80000110.1V442V442-C444 PolarHBondContact O-N 3.43Å
445E40.8Very low43.6Very low144 Ų144139.6 Ų139.667%0.67379%0.791SS**  trans-83.4134.9166-59.6-167.3162.400109.2K443K443-E445 HydrophobicContact CD-CG 4.17Å; K443-E445 WeakPolarHBondContact CD-OE1 3.49Å; K443-E445 WeakPolarHBondContact CE-OE1 3.33Å; K443-E445 HydrophobicContact CG-CG 4.25Å; K443-E445 IonicContact NZ-OE1 3.07Å; K443-E445 PolarHBondContact NZ-OE1 3.05Å; K443-E445 PolarHBondContact O-N 3.33Å; K443-E445 VanDerWaalsContact O-N 3.08Å
446F39.4Very low43.5Very low184 Ų184141.4 Ų141.481%0.80779%0.794SS**  trans-120.691.7-171.4-169.6-90.8000109.8S448F446-S448 PolarHBondContact O-N 2.86Å; F446-S448 VanDerWaalsContact O-N 3.08Å; F446-S448 PolarHBondContact O-OG 3.01Å
447E39.8Very low43Very low163 Ų163141.6 Ų141.676%0.76279%0.792SS**  trans-62.8110.1179.2-69.6-170.2123.500111Y449E447-Y449 PolarHBondContact O-N 3.27Å
448S37.3Very low42.4Very low95 Ų95140.8 Ų140.866%0.66479%0.79SS**  trans-95.993.6-178-59.20000109.9F446 S450F446-S448 PolarHBondContact O-N 2.86Å; F446-S448 VanDerWaalsContact O-N 3.08Å; F446-S448 PolarHBondContact O-OG 3.01Å; S448-S450 PolarHBondContact O-N 2.82Å
449Y40.8Very low42.3Very low201 Ų201143.2 Ų143.279%0.78880%0.795SS**  trans-65.799.8174.7-82.1-86.3000111E447 S451E447-Y449 PolarHBondContact O-N 3.27Å; Y449-S451 PolarHBondContact O-N 3.27Å
450S39.2Very low41.9Very low111 Ų111142.1 Ų142.178%0.77679%0.794SS**  trans-74.6104.1172-173.50000110.1S448 Q452S448-S450 PolarHBondContact O-N 2.82Å; S450-Q452 PolarHBondContact O-N 3.06Å
451S44.3Very low41.5Very low113 Ų113144.2 Ų144.279%0.7980%0.795SS**  trans-74.4108.6172.6-57.20000110.4Y449 S453Y449-S451 PolarHBondContact O-N 3.27Å; S451-S453 PolarHBondContact O-N 2.89Å
452Q40.5Very low40.9Very low178 Ų178147.6 Ų147.683%0.83279%0.794SS**  trans-68.8117.7170.9-67.6-179.9-900110.1S450S450-Q452 PolarHBondContact O-N 3.06Å
453S42.2Very low41Very low120 Ų120150.5 Ų150.584%0.83980%0.804SS**  trans-85.7107.9167.854.80000109.8S451S451-S453 PolarHBondContact O-N 2.89Å
454T43.7Very low41Very low117 Ų117149.3 Ų149.372%0.71881%0.812SS**  trans-90.4144.6173.452.40000111.7
455L41.9Very low40.9Very low251 Ų251152.5 Ų152.5100%1.31482%0.815SS**  trans76.80-179.1-53.5174.7000114.3

Retrieved 455 of 455 residues in 357.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).