A0A077Z0R5_TRITR Loading...

pseudouridine 5'-phosphatase

AlphaFold DB , UniProt , Accession A0A077Z0R5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 232 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
1M40.8Very low79Confident226 Ų22696.6 Ų96.6100%1.11353%0.534SS*.  0122.90-66.5178.9-16600107.2S3M1-S3 PolarHBondContact O-N 3.45Å; M1-S3 VanDerWaalsContact O-N 3.15Å
2S42.5Very low80.6Confident114 Ų11488.6 Ų88.680%0.79749%0.49SS*.  trans-65.5114.2170.6-177.50000107.2R4S2-R4 PolarHBondContact O-N 3.16Å
3S50.5Low82Confident104 Ų10481.8 Ų81.873%0.72745%0.452SS*.  trans-56.1102.3168159.80000106.9M1 T5M1-S3 PolarHBondContact O-N 3.45Å; M1-S3 VanDerWaalsContact O-N 3.15Å; S3-T5 PolarHBondContact O-N 3.2Å
4R67.7Low83.2Confident121 Ų12175.9 Ų75.946%0.45742%0.42SS..PPolyproline II helixtrans-60.7116.3174.5-72.1-178.3-179178.53.5107S2 L6 A210 A211S2-R4 PolarHBondContact O-N 3.16Å; R4-L6 PolarHBondContact O-N 3.13Å; R4-L6 VanDerWaalsContact O-N 3.1Å; R4-A210 PolarHBondContact NH1-O 2.62Å; R4-A211 PolarHBondContact NH1-O 3.2Å
5T83.5Confident84.3Confident115 Ų11571.4 Ų71.471%0.70640%0.395SS*.PPolyproline II helixtrans-60.9116.5176.5-49.50000108.9S3S3-T5 PolarHBondContact O-N 3.2Å
6L95Very high85.2Confident54 Ų5466.9 Ų66.928%0.28337%0.37SS..PPolyproline II helixtrans-65.4136.4173.7-53-177.9000108.8R4 T212 A225 F226R4-L6 PolarHBondContact O-N 3.13Å; R4-L6 VanDerWaalsContact O-N 3.1Å; L6-T212 HydrophobicContact CD2-CG2 3.49Å; L6-T212 VanDerWaalsContact CD2-CG2 3.49Å; L6-A225 VanDerWaalsContact CB-O 3.24Å; L6-A225 WeakPolarHBondContact CB-O 3.49Å; L6-A225 HydrophobicContact CD1-CB 3.73Å; L6-F226 HydrophobicContact CB-CE1 4.36Å; L6-F226 HydrophobicContact CD1-CE2 4.17Å; L6-F226 HydrophobicContact CD1-CZ 4.18Å; L6-F226 HydrophobicContact CD2-CE1 3.93Å; L6-F226 HydrophobicContact CD2-CZ 3.78Å; L6-F226 HydrophobicContact CG-CZ 4.42Å
7K95.7Very high85.9Confident125 Ų12564 Ų6454%0.54335%0.354SS..  trans-111.9149.9-177.8-60179.4-177.1176.70110.6V9 Q194K7-V9 PolarHBondContact O-N 3.27Å; K7-Q194 PolarHBondContact O-NE2 2.9Å
8P97.8Very high86.5Confident101 Ų10160.9 Ų60.966%0.65634%0.339SS*.  trans-56.8137.5170-26.135.7000112.4F226P8-F226 CarbonylContact C-O 3.58Å; P8-F226 VanDerWaalsContact CA-O 3.24Å; P8-F226 WeakPolarHBondContact CA-O 3.16Å
9V98.5Very high87.1Confident7 Ų757.8 Ų57.84%0.04232%0.321CS..  trans-121159.1175.2-58.70000110.3K7 S174 L176 F226 L228K7-V9 PolarHBondContact O-N 3.27Å; V9-S174 CarbonylContact C-O 3.54Å; V9-S174 WeakPolarHBondContact CA-O 3.28Å; V9-S174 WeakPolarHBondContact CB-O 3.28Å; V9-L176 HydrophobicContact CB-CB 4.22Å; V9-L176 HydrophobicContact CG1-CB 4.02Å; V9-L176 HydrophobicContact CG2-CB 3.89Å; V9-L176 HydrophobicContact CG2-CD2 4.44Å; V9-F226 HydrophobicContact CG1-CD1 4.47Å; V9-F226 HydrophobicContact CG2-CB 3.99Å; V9-F226 PolarHBondContact N-O 3.06Å; V9-L228 HydrophobicContact CG2-CD1 3.87Å; V9-L228 HydrophobicContact CG2-CD2 3.89Å; V9-L228 HydrophobicContact CG2-CG 3.82Å
10T98.1Very high87.7Confident73 Ų7354.9 Ų54.945%0.44831%0.305SS..SBendtrans-119.9-17.817855.80000112.8P110 S174T10-P110 WeakPolarHBondContact O-CD 3.26Å; T10-S174 PolarHBondContact N-O 3.16Å
11H98.7Very high88.2Confident23 Ų2352.3 Ų52.311%0.10629%0.291CS..EExtended strand (participates in β ladder)trans-134151.7-177.4-64.163.4000110F165 P170 S174 V175 L176H11-F165 HydrophobicContact CB-CD2 4.43Å; H11-F165 HydrophobicContact CB-CE2 4Å; H11-F165 HydrophobicContact CB-CZ 4.26Å; H11-F165 AromaticContact CD2-CD1 3.87Å; H11-F165 AromaticContact CD2-CD2 3.57Å; H11-F165 AromaticContact CD2-CE2 3.92Å; H11-F165 AromaticContact CD2-CG 3.56Å; H11-P170 HydrophobicContact CB-CB 4.44Å; H11-P170 HydrophobicContact CB-CG 4.25Å; H11-S174 PolarHBondContact N-O 3.24Å; H11-V175 HydrophobicContact CB-CG2 4.28Å; H11-V175 WeakPolarHBondContact O-CA 3.25Å; H11-L176 PolarHBondContact O-N 3.23Å
12V98.8Very high90.9Very high0 Ų045 Ų450%026%0.257CS..EExtended strand (participates in β ladder)trans-126136.1177.6-174.60000110F14 L104 I109 P110 M111 G112 L176 F178 L228V12-F14 HydrophobicContact CB-CE2 4.03Å; V12-F14 HydrophobicContact CG1-CD2 3.83Å; V12-F14 HydrophobicContact CG1-CE1 4.28Å; V12-F14 HydrophobicContact CG1-CE2 3.26Å; V12-F14 HydrophobicContact CG1-CZ 3.52Å; V12-L104 HydrophobicContact CB-CD1 4.15Å; V12-L104 HydrophobicContact CG1-CD1 4.16Å; V12-L104 HydrophobicContact CG2-CD1 3.92Å; V12-L104 HydrophobicContact CG2-CD2 4.42Å; V12-I109 HydrophobicContact CG2-CG2 3.94Å; V12-P110 PolarHBondContact N-O 2.92Å; V12-M111 CarbonylContact O-C 3.55Å; V12-M111 VanDerWaalsContact O-CA 3.27Å; V12-M111 WeakPolarHBondContact O-CA 3.44Å; V12-G112 PolarHBondContact O-N 2.91Å; V12-L176 CarbonylContact C-O 3.57Å; V12-L176 VanDerWaalsContact CA-O 3.25Å; V12-L176 WeakPolarHBondContact CA-O 3.33Å; V12-L176 HydrophobicContact CG2-CB 4.44Å; V12-F178 HydrophobicContact CG1-CD2 3.52Å; V12-F178 HydrophobicContact CG1-CE2 3.49Å; V12-F178 VanDerWaalsContact CG1-CE2 3.49Å; V12-L228 HydrophobicContact CG2-CD1 4.2Å
13I98.9Very high93.5Very high0 Ų039.6 Ų39.60%022%0.219CC..EExtended strand (participates in β ladder)trans-120.4133.2170.2-58.2172.2000108.4G112 C114 Y158 C161 A162 F165 V175 L176 V177 F178 M193I13-G112 CarbonylContact C-O 3.59Å; I13-G112 WeakPolarHBondContact CA-O 3.35Å; I13-C114 HydrophobicContact CG2-CB 3.85Å; I13-Y158 HydrophobicContact CB-CD1 4.44Å; I13-Y158 HydrophobicContact CD1-CD1 4.41Å; I13-Y158 HydrophobicContact CG2-CD1 3.84Å; I13-Y158 HydrophobicContact CG2-CE1 3.75Å; I13-C161 HydrophobicContact CD1-CB 3.98Å; I13-C161 HydrophobicContact CG2-CB 4.48Å; I13-A162 HydrophobicContact CD1-CB 4.07Å; I13-F165 HydrophobicContact CD1-CE2 4.07Å; I13-F165 HydrophobicContact CG1-CE2 3.79Å; I13-F165 HydrophobicContact CG1-CZ 3.98Å; I13-V175 HydrophobicContact CD1-CG1 3.73Å; I13-V175 HydrophobicContact CG1-CG1 3.83Å; I13-L176 PolarHBondContact N-O 2.87Å; I13-V177 HydrophobicContact CB-CG2 4.41Å; I13-V177 CarbonylContact O-C 3.49Å; I13-V177 VanDerWaalsContact O-CA 3.22Å; I13-V177 WeakPolarHBondContact O-CA 3.42Å; I13-F178 PolarHBondContact O-N 3.19Å; I13-M193 HydrophobicContact CD1-CE 4.49Å; I13-M193 HydrophobicContact CD1-SD 4.48Å
14F98.9Very high95.6Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-107.1138.1177.1-66.7-93.3000110.7V12 L19 L20 L100 L104 M111 G112 L113 C114 F136 F178V12-F14 HydrophobicContact CB-CE2 4.03Å; V12-F14 HydrophobicContact CG1-CD2 3.83Å; V12-F14 HydrophobicContact CG1-CE1 4.28Å; V12-F14 HydrophobicContact CG1-CE2 3.26Å; V12-F14 HydrophobicContact CG1-CZ 3.52Å; F14-L19 HydrophobicContact CD1-CD2 4.37Å; F14-L20 HydrophobicContact CB-CD1 3.8Å; F14-L20 HydrophobicContact CB-CG 4.29Å; F14-L20 HydrophobicContact CD1-CD1 4.47Å; F14-L20 HydrophobicContact CD1-CD2 3.82Å; F14-L20 HydrophobicContact CD1-CG 4.39Å; F14-L20 HydrophobicContact CE1-CD2 4.36Å; F14-L20 HydrophobicContact CG-CD1 4.25Å; F14-L20 HydrophobicContact CG-CD2 4.41Å; F14-L100 HydrophobicContact CE1-CD2 3.68Å; F14-L100 HydrophobicContact CE1-CG 4.28Å; F14-L100 HydrophobicContact CZ-CD2 3.92Å; F14-L100 HydrophobicContact CZ-CG 4.07Å; F14-L104 HydrophobicContact CE2-CD1 3.92Å; F14-L104 HydrophobicContact CZ-CD1 3.66Å; F14-M111 HydrophobicContact CE2-CG 4.26Å; F14-M111 HydrophobicContact CE2-SD 4.09Å; F14-G112 PolarHBondContact N-O 3.35Å; F14-L113 CarbonylContact O-C 3.47Å; F14-L113 WeakPolarHBondContact O-CA 3.2Å; F14-C114 PolarHBondContact O-N 3.13Å; F14-F136 HydrophobicContact CB-CE1 4.41Å; F14-F136 HydrophobicContact CD2-CD1 4.47Å; F14-F136 AromaticContact CD2-CE1 3.57Å; F14-F136 HydrophobicContact CD2-CE1 3.57Å; F14-F136 HydrophobicContact CD2-CZ 4.34Å; F14-F136 HydrophobicContact CE2-CE1 4.12Å; F14-F136 HydrophobicContact CG-CE1 4.21Å; F14-F178 HydrophobicContact CD1-CB 3.66Å; F14-F178 AromaticContact CD1-CD2 3.9Å; F14-F178 HydrophobicContact CD1-CD2 3.9Å; F14-F178 AromaticContact CD1-CG 3.91Å; F14-F178 HydrophobicContact CD1-CG 3.91Å; F14-F178 HydrophobicContact CE1-CB 3.99Å; F14-F178 HydrophobicContact CE1-CD1 4.36Å; F14-F178 AromaticContact CE1-CD2 3.47Å; F14-F178 HydrophobicContact CE1-CD2 3.47Å; F14-F178 VanDerWaalsContact CE1-CD2 3.47Å; F14-F178 AromaticContact CE1-CE2 3.99Å; F14-F178 HydrophobicContact CE1-CE2 3.99Å; F14-F178 AromaticContact CE1-CG 3.69Å; F14-F178 HydrophobicContact CE1-CG 3.69Å; F14-F178 HydrophobicContact CG-CB 4.49Å; F14-F178 AromaticContact CZ-CD2 3.9Å; F14-F178 HydrophobicContact CZ-CD2 3.9Å; F14-F178 HydrophobicContact CZ-CE2 4.09Å
15D98.7Very high96.8Very high8 Ų833.4 Ų33.44%0.04319%0.191CC..  trans-66.3174.8149.3-174.662.7000110.2D17 L19 L20 K152 F178 E179D15-D17 PolarHBondContact OD2-N 2.74Å; D15-D17 VanDerWaalsContact OD2-O 3.13Å; D15-L19 HydrophobicContact CB-CD2 3.92Å; D15-L20 WeakPolarHBondContact O-CD1 3.14Å; D15-L20 WeakPolarHBondContact O-CG 3.48Å; D15-K152 IonicContact OD1-NZ 3.55Å; D15-K152 PolarHBondContact OD1-NZ 3.5Å; D15-F178 PolarHBondContact N-O 3.13Å; D15-E179 HydrophobicContact CB-CG 4.18Å
16N98.5Very high97.5Very high0 Ų029 Ų290%016%0.162CC..  trans-118.2-54.1-178.2-175.469.5000113.2L20 L21 L113 Y133N16-L20 PolarHBondContact O-N 3.35Å; N16-L21 PolarHBondContact O-N 3.41Å; N16-L113 HydrophobicContact CB-CD1 4.33Å; N16-L113 HydrophobicContact CB-CD2 4.22Å; N16-Y133 VanDerWaalsContact OD1-CE1 3.23Å; N16-Y133 WeakPolarHBondContact OD1-CE1 3.28Å; N16-Y133 VanDerWaalsContact OD1-CZ 3.31Å; N16-Y133 PolarHBondContact OD1-OH 3.06Å
17D97.6Very high97.5Very high17 Ų1728.6 Ų28.69%0.09116%0.157CC..BIsolated β-bridgetrans-86123.7-164.5-70.1-69000109.3D15 L19 T23 T115 S117 K125D15-D17 PolarHBondContact OD2-N 2.74Å; D15-D17 VanDerWaalsContact OD2-O 3.13Å; D17-L19 PolarHBondContact O-N 2.94Å; D17-T23 VanDerWaalsContact CA-OG1 3.31Å; D17-T23 WeakPolarHBondContact CA-OG1 3.4Å; D17-T23 WeakPolarHBondContact CB-OG1 3.49Å; D17-T23 PolarHBondContact OD1-OG1 3.24Å; D17-T115 PolarHBondContact OD2-OG1 2.92Å; D17-S117 PolarHBondContact OD2-OG 2.86Å; D17-K125 VanDerWaalsContact CG-NZ 3.27Å; D17-K125 VanDerWaalsContact OD1-CD 3.24Å; D17-K125 WeakPolarHBondContact OD1-CD 3.45Å; D17-K125 WeakPolarHBondContact OD1-CE 3.18Å; D17-K125 IonicContact OD1-NZ 3.72Å; D17-K125 PolarHBondContact OD1-NZ 3.25Å; D17-K125 IonicContact OD2-NZ 2.74Å; D17-K125 PolarHBondContact OD2-NZ 2.8Å
18G97Very high97.5Very high8 Ų824.5 Ų24.58%0.08214%0.14CC..THydrogen-bonded Turntrans81.2-16.4-17300000114.2L21 T23G18-L21 WeakPolarHBondContact CA-O 3.17Å; G18-L21 PolarHBondContact N-O 2.93Å; G18-T23 PolarHBondContact N-OG1 2.75Å; G18-T23 VanDerWaalsContact N-OG1 3.16Å
19L98.6Very high97.5Very high2 Ų223.4 Ų23.41%0.0113%0.126CC..THydrogen-bonded Turntrans-106.8-58.3-179.5178.571.6000114.2F14 D15 D17 M94 F178 D180 V198 L218F14-L19 HydrophobicContact CD1-CD2 4.37Å; D15-L19 HydrophobicContact CB-CD2 3.92Å; D17-L19 PolarHBondContact O-N 2.94Å; L19-M94 WeakPolarHBondContact O-CB 3.33Å; L19-M94 WeakPolarHBondContact O-CG 3.48Å; L19-F178 HydrophobicContact CD1-CB 4.3Å; L19-F178 HydrophobicContact CD2-CB 3.59Å; L19-F178 WeakPolarHBondContact CD2-O 3.25Å; L19-F178 HydrophobicContact CG-CB 4.48Å; L19-D180 HydrophobicContact CB-CB 4.35Å; L19-V198 HydrophobicContact CD1-CB 3.88Å; L19-V198 HydrophobicContact CD1-CG2 4.11Å; L19-L218 HydrophobicContact CD1-CD1 4.47Å; L19-L218 HydrophobicContact CD1-CD2 4.09Å; L19-L218 HydrophobicContact CD1-CG 4.47Å
20L98.7Very high97.4Very high0 Ų023 Ų230%012%0.124CC..THydrogen-bonded Turntrans-93.4-35.6178.6-67.2-175.6000110.7F14 D15 N16 L93 M94 A97 I101 L113 F136 L218F14-L20 HydrophobicContact CB-CD1 3.8Å; F14-L20 HydrophobicContact CB-CG 4.29Å; F14-L20 HydrophobicContact CD1-CD1 4.47Å; F14-L20 HydrophobicContact CD1-CD2 3.82Å; F14-L20 HydrophobicContact CD1-CG 4.39Å; F14-L20 HydrophobicContact CE1-CD2 4.36Å; F14-L20 HydrophobicContact CG-CD1 4.25Å; F14-L20 HydrophobicContact CG-CD2 4.41Å; D15-L20 WeakPolarHBondContact O-CD1 3.14Å; D15-L20 WeakPolarHBondContact O-CG 3.48Å; N16-L20 PolarHBondContact O-N 3.35Å; L20-L93 CarbonylContact O-C 3.58Å; L20-L93 VanDerWaalsContact O-CA 3.31Å; L20-L93 WeakPolarHBondContact O-CA 3.08Å; L20-M94 PolarHBondContact O-N 3.25Å; L20-A97 HydrophobicContact CD2-CB 3.91Å; L20-I101 HydrophobicContact CD1-CD1 4.19Å; L20-I101 HydrophobicContact CD2-CD1 3.93Å; L20-L113 HydrophobicContact CD1-CD1 4.11Å; L20-F136 HydrophobicContact CD1-CE2 4.18Å; L20-F136 HydrophobicContact CD1-CZ 3.69Å; L20-L218 HydrophobicContact CD2-CD1 4.2Å
21L98.5Very high97.4Very high0 Ų020.1 Ų20.10%011%0.105CC..BIsolated β-bridgetrans-115.9137.1175.3-61.8174.7000110.8N16 G18 T23 Q92 L93 K125 T126 Y133N16-L21 PolarHBondContact O-N 3.41Å; G18-L21 WeakPolarHBondContact CA-O 3.17Å; G18-L21 PolarHBondContact N-O 2.93Å; L21-T23 HydrophobicContact CB-CG2 3.85Å; L21-T23 PolarHBondContact O-N 2.95Å; L21-Q92 CarbonylContact C-O 3.6Å; L21-Q92 VanDerWaalsContact CA-O 3.31Å; L21-Q92 WeakPolarHBondContact CA-O 3.16Å; L21-L93 HydrophobicContact CD2-CD2 3.9Å; L21-L93 HydrophobicContact CD2-CG 4.45Å; L21-K125 HydrophobicContact CD1-CB 3.73Å; L21-K125 WeakPolarHBondContact CD1-O 3.33Å; L21-T126 HydrophobicContact CD1-CG2 4.18Å; L21-Y133 WeakPolarHBondContact CD1-OH 3.4Å; L21-Y133 VanDerWaalsContact CG-OH 3.23Å; L21-Y133 WeakPolarHBondContact CG-OH 3.4Å
22N96.9Very high97.4Very high74 Ų7419.7 Ų19.740%0.39611%0.105SC..  trans-75.876.4172-172.54.5000110.3Q92 M94N22-Q92 PolarHBondContact N-O 2.65Å; N22-M94 HydrophobicContact CB-CG 4.48Å; N22-M94 HydrophobicContact CB-SD 3.58Å; N22-M94 VanDerWaalsContact CB-SD 3.58Å
23T96.6Very high97.4Very high0 Ų023.2 Ų23.20%012%0.122CC..  trans-99.4-20.6-178.447.30000113.5D17 G18 L21 A25 F26 Y27 S91 K125D17-T23 VanDerWaalsContact CA-OG1 3.31Å; D17-T23 WeakPolarHBondContact CA-OG1 3.4Å; D17-T23 WeakPolarHBondContact CB-OG1 3.49Å; D17-T23 PolarHBondContact OD1-OG1 3.24Å; G18-T23 PolarHBondContact N-OG1 2.75Å; G18-T23 VanDerWaalsContact N-OG1 3.16Å; L21-T23 HydrophobicContact CB-CG2 3.85Å; L21-T23 PolarHBondContact O-N 2.95Å; T23-A25 VanDerWaalsContact C-N 3.27Å; T23-A25 PolarHBondContact O-N 3.39Å; T23-F26 WeakPolarHBondContact O-CB 3.47Å; T23-F26 PolarHBondContact O-N 3.29Å; T23-Y27 VanDerWaalsContact O-CD2 3.28Å; T23-Y27 WeakPolarHBondContact O-CD2 3.22Å; T23-Y27 PolarHBondContact O-N 3.38Å; T23-S91 WeakPolarHBondContact CG2-OG 3.48Å; T23-K125 HydrophobicContact CG2-CD 4.09Å; T23-K125 HydrophobicContact CG2-CG 4.25Å
24E94.4Very high97.4Very high49 Ų4923.2 Ų23.223%0.22912%0.122CC..Hα-helixtrans-58.7-38.9-176.3-73.4-57.8110.900112.5F26 Y27 E28 K48E24-F26 PolarHBondContact O-N 3.16Å; E24-Y27 PolarHBondContact O-N 3.36Å; E24-Y27 VanDerWaalsContact O-N 3.16Å; E24-E28 WeakPolarHBondContact O-CG 3.45Å; E24-E28 PolarHBondContact O-N 2.95Å; E24-K48 WeakPolarHBondContact OE2-CE 3.42Å; E24-K48 IonicContact OE2-NZ 3.74Å; E24-K48 PolarHBondContact OE2-NZ 3.45Å
25A93.7Very high97.3Very high46 Ų4623.2 Ų23.238%0.3812%0.122SC..Hα-helixtrans-59.1-34.1175.400000112.8T23 E29T23-A25 VanDerWaalsContact C-N 3.27Å; T23-A25 PolarHBondContact O-N 3.39Å; A25-E29 VanDerWaalsContact O-CB 3.29Å; A25-E29 WeakPolarHBondContact O-CB 3.46Å; A25-E29 PolarHBondContact O-N 3.49Å
26F97.2Very high97.3Very high21 Ų2126.3 Ų26.39%0.09214%0.138CC..Hα-helixtrans-72.9-35.6178.9-58.7-17.8000111.9T23 E24 A30 L84 R87 F88 D90T23-F26 WeakPolarHBondContact O-CB 3.47Å; T23-F26 PolarHBondContact O-N 3.29Å; E24-F26 PolarHBondContact O-N 3.16Å; F26-A30 VanDerWaalsContact O-CB 3.28Å; F26-A30 WeakPolarHBondContact O-CB 3.39Å; F26-A30 PolarHBondContact O-N 3Å; F26-L84 HydrophobicContact CB-CD2 3.93Å; F26-L84 WeakPolarHBondContact O-CD2 3.39Å; F26-R87 HydrophobicContact CB-CB 4.41Å; F26-R87 HydrophobicContact CD1-CB 4.47Å; F26-R87 VanDerWaalsContact CD1-NH2 3.31Å; F26-R87 HydrophobicContact CD2-CB 4.11Å; F26-R87 HydrophobicContact CE2-CB 4.47Å; F26-R87 WeakPolarHBondContact CE2-O 3.38Å; F26-R87 HydrophobicContact CG-CB 4.1Å; F26-F88 HydrophobicContact CD2-CD1 4.37Å; F26-D90 HydrophobicContact CZ-CB 4.25Å
27Y95.5Very high97.3Very high46 Ų4632.7 Ų32.718%0.1816%0.162CC..Hα-helixtrans-66.2-45.7173.6-72-76.8000111.3T23 E24 E29 A30 I31 L84 F88 K125T23-Y27 VanDerWaalsContact O-CD2 3.28Å; T23-Y27 WeakPolarHBondContact O-CD2 3.22Å; T23-Y27 PolarHBondContact O-N 3.38Å; E24-Y27 PolarHBondContact O-N 3.36Å; E24-Y27 VanDerWaalsContact O-N 3.16Å; Y27-E29 VanDerWaalsContact C-N 3.31Å; Y27-E29 PolarHBondContact O-N 3.39Å; Y27-A30 PolarHBondContact O-N 3.25Å; Y27-I31 WeakPolarHBondContact O-CD1 3.47Å; Y27-I31 VanDerWaalsContact O-CG1 3.28Å; Y27-I31 WeakPolarHBondContact O-CG1 3.4Å; Y27-I31 PolarHBondContact O-N 3.23Å; Y27-L84 HydrophobicContact CD1-CD1 3.59Å; Y27-L84 HydrophobicContact CD1-CD2 3.95Å; Y27-L84 HydrophobicContact CD1-CG 4.43Å; Y27-L84 HydrophobicContact CE1-CD1 3.47Å; Y27-L84 VanDerWaalsContact CE1-CD1 3.47Å; Y27-L84 HydrophobicContact CE1-CD2 4.21Å; Y27-L84 HydrophobicContact CE1-CG 4.49Å; Y27-L84 HydrophobicContact CG-CD2 4.23Å; Y27-F88 HydrophobicContact CE1-CZ 4.43Å; Y27-F88 HydrophobicContact CE2-CE1 4.36Å; Y27-K125 PolarHBondContact OH-NZ 3.49Å
28E96.2Very high97.3Very high39 Ų3935.8 Ų35.818%0.18217%0.173CC..Hα-helixtrans-60.2-41.7176-67-176.9-168.100111.6E24 S32 F43 K48 R202E24-E28 WeakPolarHBondContact O-CG 3.45Å; E24-E28 PolarHBondContact O-N 2.95Å; E28-S32 WeakPolarHBondContact O-CB 3.37Å; E28-S32 PolarHBondContact O-N 3.29Å; E28-S32 PolarHBondContact O-OG 3.07Å; E28-F43 HydrophobicContact CB-CD1 4.08Å; E28-F43 HydrophobicContact CG-CD1 3.81Å; E28-F43 HydrophobicContact CG-CE1 3.89Å; E28-K48 VanDerWaalsContact OE1-CD 3.29Å; E28-K48 WeakPolarHBondContact OE1-CD 3.47Å; E28-K48 IonicContact OE1-NZ 2.7Å; E28-K48 PolarHBondContact OE1-NZ 3.33Å; E28-R202 IonicContact OE1-CZ 3.13Å; E28-R202 IonicContact OE1-NH1 2.82Å; E28-R202 IonicContact OE1-NH2 2.8Å; E28-R202 PolarHBondContact OE1-NH2 3.45Å; E28-R202 IonicContact OE2-NH1 3.58Å; E28-R202 IonicContact OE2-NH2 3.47Å
29E96.7Very high97.3Very high78 Ų7838.8 Ų38.836%0.36420%0.204SC..Hα-helixtrans-65.5-49.8176.9-175.3179.9166.500112.2A25 Y27 I31 S32 E33 R87A25-E29 VanDerWaalsContact O-CB 3.29Å; A25-E29 WeakPolarHBondContact O-CB 3.46Å; A25-E29 PolarHBondContact O-N 3.49Å; Y27-E29 VanDerWaalsContact C-N 3.31Å; Y27-E29 PolarHBondContact O-N 3.39Å; E29-I31 PolarHBondContact O-N 2.83Å; E29-S32 WeakPolarHBondContact O-CB 3.42Å; E29-S32 PolarHBondContact O-N 3.41Å; E29-E33 WeakPolarHBondContact O-CB 3.38Å; E29-E33 PolarHBondContact O-N 2.94Å; E29-R87 IonicContact OE1-CZ 2.72Å; E29-R87 IonicContact OE1-NH1 3.38Å; E29-R87 PolarHBondContact OE1-NH1 2.95Å; E29-R87 IonicContact OE2-CZ 3.33Å; E29-R87 IonicContact OE2-NH1 2.65Å; E29-R87 PolarHBondContact OE2-NH1 3.4Å; E29-R87 IonicContact OE2-NH2 2.61Å; E29-R87 PolarHBondContact OE2-NH2 3.26Å
30A98Very high97.2Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-62.2-43.1-178.700000111.9F26 Y27 E33 V34 I83 L84F26-A30 VanDerWaalsContact O-CB 3.28Å; F26-A30 WeakPolarHBondContact O-CB 3.39Å; F26-A30 PolarHBondContact O-N 3Å; Y27-A30 PolarHBondContact O-N 3.25Å; A30-E33 PolarHBondContact O-N 3.48Å; A30-V34 WeakPolarHBondContact O-CG2 3.28Å; A30-V34 PolarHBondContact O-N 3.23Å; A30-V34 VanDerWaalsContact O-N 3.12Å; A30-I83 HydrophobicContact CB-CB 3.99Å; A30-I83 HydrophobicContact CB-CD1 4.39Å; A30-I83 HydrophobicContact CB-CG2 3.86Å; A30-L84 HydrophobicContact CB-CD1 4.5Å; A30-L84 HydrophobicContact CB-CD2 3.89Å; A30-L84 HydrophobicContact CB-CG 3.77Å
31I98Very high97.1Very high11 Ų1144.6 Ų44.66%0.05624%0.237CC..Hα-helixtrans-64.9-45.2175.6-63160000109.8Y27 E29 E33 V34 T35 F43 I63 T80Y27-I31 WeakPolarHBondContact O-CD1 3.47Å; Y27-I31 VanDerWaalsContact O-CG1 3.28Å; Y27-I31 WeakPolarHBondContact O-CG1 3.4Å; Y27-I31 PolarHBondContact O-N 3.23Å; E29-I31 PolarHBondContact O-N 2.83Å; I31-E33 VanDerWaalsContact C-N 3.3Å; I31-E33 PolarHBondContact O-N 3.19Å; I31-V34 PolarHBondContact O-N 3.49Å; I31-T35 HydrophobicContact CG2-CG2 4.11Å; I31-T35 WeakPolarHBondContact O-CG2 3.32Å; I31-T35 PolarHBondContact O-N 3.35Å; I31-T35 PolarHBondContact O-OG1 3.07Å; I31-T35 VanDerWaalsContact O-OG1 3.11Å; I31-F43 HydrophobicContact CB-CB 4.11Å; I31-F43 HydrophobicContact CB-CD2 4.27Å; I31-F43 HydrophobicContact CB-CG 4.23Å; I31-F43 HydrophobicContact CD1-CD2 4.34Å; I31-F43 HydrophobicContact CD1-CE2 4.34Å; I31-F43 HydrophobicContact CG2-CB 3.88Å; I31-F43 HydrophobicContact CG2-CD2 3.61Å; I31-F43 HydrophobicContact CG2-CE2 4.46Å; I31-F43 HydrophobicContact CG2-CG 3.97Å; I31-I63 HydrophobicContact CD1-CD1 3.68Å; I31-I63 HydrophobicContact CG1-CD1 4.12Å; I31-I63 HydrophobicContact CG2-CD1 3.96Å; I31-I63 HydrophobicContact CG2-CG1 4.44Å; I31-I63 HydrophobicContact CG2-CG2 3.93Å; I31-T80 HydrophobicContact CG1-CG2 4.01Å
32S98.3Very high97Very high15 Ų1551.6 Ų51.611%0.10527%0.268CS..Hα-helixtrans-59.1-39.9177.5-66.80000112.7E28 E29 T35 N36 F43E28-S32 WeakPolarHBondContact O-CB 3.37Å; E28-S32 PolarHBondContact O-N 3.29Å; E28-S32 PolarHBondContact O-OG 3.07Å; E29-S32 WeakPolarHBondContact O-CB 3.42Å; E29-S32 PolarHBondContact O-N 3.41Å; S32-T35 WeakPolarHBondContact CA-OG1 3.22Å; S32-T35 PolarHBondContact O-OG1 3.27Å; S32-T35 VanDerWaalsContact O-OG1 3.11Å; S32-N36 VanDerWaalsContact O-CB 3.25Å; S32-N36 WeakPolarHBondContact O-CB 3.29Å; S32-N36 PolarHBondContact O-N 3.22Å; S32-N36 PolarHBondContact O-ND2 3.41Å; S32-F43 WeakPolarHBondContact OG-CB 3.32Å; S32-F43 PolarHBondContact OG-N 2.83Å
33E98.3Very high97Very high74 Ų7448.9 Ų48.935%0.34625%0.252SS..Hα-helixtrans-64.6-45.8177.3-174.2-178.8153.700110.4E29 A30 I31 N36 R37 I83E29-E33 WeakPolarHBondContact O-CB 3.38Å; E29-E33 PolarHBondContact O-N 2.94Å; A30-E33 PolarHBondContact O-N 3.48Å; I31-E33 VanDerWaalsContact C-N 3.3Å; I31-E33 PolarHBondContact O-N 3.19Å; E33-N36 PolarHBondContact O-N 2.96Å; E33-R37 WeakPolarHBondContact O-CG 3.24Å; E33-R37 PolarHBondContact O-N 3.16Å; E33-R37 VanDerWaalsContact O-N 3.13Å; E33-R37 IonicContact OE1-CZ 3.61Å; E33-R37 IonicContact OE1-NE 3.94Å; E33-R37 IonicContact OE1-NH2 3.81Å; E33-R37 PolarHBondContact OE1-NH2 3.07Å; E33-I83 HydrophobicContact CB-CD1 3.95Å; E33-I83 HydrophobicContact CG-CD1 4.05Å
34V98.4Very high96.9Very high0 Ų051.7 Ų51.70%027%0.27CS..Hα-helixtrans-62-50.1176.4178.30000111A30 I31 N36 R37 Y38 L71 L76 Q79 T80 I83A30-V34 WeakPolarHBondContact O-CG2 3.28Å; A30-V34 PolarHBondContact O-N 3.23Å; A30-V34 VanDerWaalsContact O-N 3.12Å; I31-V34 PolarHBondContact O-N 3.49Å; V34-N36 VanDerWaalsContact C-N 3.29Å; V34-N36 PolarHBondContact O-N 3.4Å; V34-R37 WeakPolarHBondContact O-CB 3.25Å; V34-R37 PolarHBondContact O-N 3.25Å; V34-R37 VanDerWaalsContact O-N 3.13Å; V34-Y38 HydrophobicContact CG1-CD2 4.39Å; V34-Y38 HydrophobicContact CG1-CE2 4.1Å; V34-Y38 VanDerWaalsContact O-CD2 3.24Å; V34-Y38 WeakPolarHBondContact O-CD2 3.19Å; V34-L71 HydrophobicContact CG1-CD1 4.15Å; V34-L76 HydrophobicContact CB-CD1 4.28Å; V34-L76 HydrophobicContact CG1-CD1 3.65Å; V34-Q79 HydrophobicContact CG1-CB 4.34Å; V34-Q79 HydrophobicContact CG2-CB 3.74Å; V34-T80 HydrophobicContact CG2-CG2 4Å; V34-I83 HydrophobicContact CG2-CD1 3.82Å
35T98.4Very high96.9Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-62.5-35.2-17954.80000112.3I31 S32 Y38 G39 K40 G41 I63 Y67 L69I31-T35 HydrophobicContact CG2-CG2 4.11Å; I31-T35 WeakPolarHBondContact O-CG2 3.32Å; I31-T35 PolarHBondContact O-N 3.35Å; I31-T35 PolarHBondContact O-OG1 3.07Å; I31-T35 VanDerWaalsContact O-OG1 3.11Å; S32-T35 WeakPolarHBondContact CA-OG1 3.22Å; S32-T35 PolarHBondContact O-OG1 3.27Å; S32-T35 VanDerWaalsContact O-OG1 3.11Å; T35-Y38 PolarHBondContact O-N 3.39Å; T35-G39 PolarHBondContact O-N 2.93Å; T35-K40 WeakPolarHBondContact O-CB 3.5Å; T35-K40 PolarHBondContact O-N 2.99Å; T35-G41 CarbonylContact C-O 3.54Å; T35-G41 VanDerWaalsContact CB-O 3.26Å; T35-G41 WeakPolarHBondContact CB-O 3.42Å; T35-G41 PolarHBondContact OG1-O 3Å; T35-I63 HydrophobicContact CG2-CG2 4.33Å; T35-Y67 HydrophobicContact CG2-CD1 3.77Å; T35-Y67 HydrophobicContact CG2-CD2 4.16Å; T35-Y67 HydrophobicContact CG2-CE1 4.23Å; T35-Y67 HydrophobicContact CG2-CG 3.74Å; T35-L69 HydrophobicContact CG2-CD1 4.16Å; T35-L69 HydrophobicContact CG2-CD2 4.32Å
36N97.9Very high97Very high73 Ų7355.5 Ų55.539%0.3928%0.278SS..Hα-helixtrans-66.9-35.2174.7-79.5-47.3000113.3S32 E33 V34 Y38 G39 G41S32-N36 VanDerWaalsContact O-CB 3.25Å; S32-N36 WeakPolarHBondContact O-CB 3.29Å; S32-N36 PolarHBondContact O-N 3.22Å; S32-N36 PolarHBondContact O-ND2 3.41Å; E33-N36 PolarHBondContact O-N 2.96Å; V34-N36 VanDerWaalsContact C-N 3.29Å; V34-N36 PolarHBondContact O-N 3.4Å; N36-Y38 PolarHBondContact O-N 2.95Å; N36-Y38 VanDerWaalsContact O-N 3.16Å; N36-G39 PolarHBondContact O-N 2.87Å; N36-G41 PolarHBondContact N-O 3.29Å; N36-G41 VanDerWaalsContact OD1-CA 3.22Å; N36-G41 WeakPolarHBondContact OD1-CA 3.35Å; N36-G41 PolarHBondContact OD1-O 3.41Å
37R97.7Very high96.9Very high134 Ų13454.6 Ų54.651%0.50627%0.273SS..Hα-helixtrans-59.4-25.7174.3-68.6169.9-169.4174.1-0.4112.6E33 V34E33-R37 WeakPolarHBondContact O-CG 3.24Å; E33-R37 PolarHBondContact O-N 3.16Å; E33-R37 VanDerWaalsContact O-N 3.13Å; E33-R37 IonicContact OE1-CZ 3.61Å; E33-R37 IonicContact OE1-NE 3.94Å; E33-R37 IonicContact OE1-NH2 3.81Å; E33-R37 PolarHBondContact OE1-NH2 3.07Å; V34-R37 WeakPolarHBondContact O-CB 3.25Å; V34-R37 PolarHBondContact O-N 3.25Å; V34-R37 VanDerWaalsContact O-N 3.13Å
38Y97.7Very high96.8Very high82 Ų8253.3 Ų53.332%0.32227%0.269SS..THydrogen-bonded Turntrans-96.69.5175-65.3-82.2000113.6V34 T35 N36 K40 L69 P70 L71 Q79V34-Y38 HydrophobicContact CG1-CD2 4.39Å; V34-Y38 HydrophobicContact CG1-CE2 4.1Å; V34-Y38 VanDerWaalsContact O-CD2 3.24Å; V34-Y38 WeakPolarHBondContact O-CD2 3.19Å; T35-Y38 PolarHBondContact O-N 3.39Å; N36-Y38 PolarHBondContact O-N 2.95Å; N36-Y38 VanDerWaalsContact O-N 3.16Å; Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 WeakPolarHBondContact O-CG 3.43Å; Y38-K40 PolarHBondContact O-N 3.09Å; Y38-L69 HydrophobicContact CD2-CD2 3.98Å; Y38-L69 HydrophobicContact CG-CD2 4.11Å; Y38-P70 HydrophobicContact CD1-CG 3.56Å; Y38-P70 HydrophobicContact CE1-CG 3.52Å; Y38-L71 HydrophobicContact CE2-CD1 3.73Å; Y38-L71 HydrophobicContact CE2-CG 4.22Å; Y38-L71 VanDerWaalsContact OH-CD2 3.32Å; Y38-L71 WeakPolarHBondContact OH-CD2 3.35Å; Y38-Q79 PolarHBondContact OH-NE2 2.89Å; Y38-Q79 VanDerWaalsContact OH-NE2 3.11Å
39G97.6Very high96.7Very high70 Ų7054 Ų5472%0.72227%0.273SS*.THydrogen-bonded Turntrans68.523.6179.400000114.2T35 N36T35-G39 PolarHBondContact O-N 2.93Å; N36-G39 PolarHBondContact O-N 2.87Å
40K97.2Very high96.5Very high95 Ų9553.7 Ų53.741%0.41327%0.271SS..  trans-1001.8-174-53.6-62.5-168.6167.80114.4T35 Y38 Y67 L69T35-K40 WeakPolarHBondContact O-CB 3.5Å; T35-K40 PolarHBondContact O-N 2.99Å; Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 WeakPolarHBondContact O-CG 3.43Å; Y38-K40 PolarHBondContact O-N 3.09Å; K40-Y67 HydrophobicContact CB-CD1 3.8Å; K40-Y67 HydrophobicContact CB-CG 4.45Å; K40-Y67 WeakPolarHBondContact CD-O 3.48Å; K40-Y67 WeakPolarHBondContact CE-O 3.43Å; K40-Y67 WeakPolarHBondContact CG-O 3.23Å; K40-L69 HydrophobicContact CG-CD2 4Å
41G95.4Very high96.3Very high29 Ų2955.1 Ų55.130%0.29928%0.278SS..  trans81.2-166.7-177.700000113.3T35 N36T35-G41 CarbonylContact C-O 3.54Å; T35-G41 VanDerWaalsContact CB-O 3.26Å; T35-G41 WeakPolarHBondContact CB-O 3.42Å; T35-G41 PolarHBondContact OG1-O 3Å; N36-G41 PolarHBondContact N-O 3.29Å; N36-G41 VanDerWaalsContact OD1-CA 3.22Å; N36-G41 WeakPolarHBondContact OD1-CA 3.35Å; N36-G41 PolarHBondContact OD1-O 3.41Å
42K96.5Very high95.8Very high147 Ų14756.6 Ų56.664%0.63929%0.285SS*.  trans-88.3154.4-174.9-67.1-176.2177.8-176.40112.4T44 Y67K42-T44 WeakPolarHBondContact O-CG2 3.35Å; K42-T44 PolarHBondContact O-N 2.92Å; K42-Y67 WeakPolarHBondContact O-CE1 3.44Å; K42-Y67 PolarHBondContact O-OH 3.26Å
43F96.8Very high95.3Very high17 Ų1757.8 Ų57.88%0.07530%0.299CS..  trans-59.4130.7165.2-176.4-104000109.8E28 I31 S32 T47 K48 I63 Y67E28-F43 HydrophobicContact CB-CD1 4.08Å; E28-F43 HydrophobicContact CG-CD1 3.81Å; E28-F43 HydrophobicContact CG-CE1 3.89Å; I31-F43 HydrophobicContact CB-CB 4.11Å; I31-F43 HydrophobicContact CB-CD2 4.27Å; I31-F43 HydrophobicContact CB-CG 4.23Å; I31-F43 HydrophobicContact CD1-CD2 4.34Å; I31-F43 HydrophobicContact CD1-CE2 4.34Å; I31-F43 HydrophobicContact CG2-CB 3.88Å; I31-F43 HydrophobicContact CG2-CD2 3.61Å; I31-F43 HydrophobicContact CG2-CE2 4.46Å; I31-F43 HydrophobicContact CG2-CG 3.97Å; S32-F43 WeakPolarHBondContact OG-CB 3.32Å; S32-F43 PolarHBondContact OG-N 2.83Å; F43-T47 HydrophobicContact CD2-CG2 4.05Å; F43-T47 HydrophobicContact CE2-CG2 3.53Å; F43-T47 HydrophobicContact CZ-CG2 4.39Å; F43-K48 HydrophobicContact CE1-CB 3.75Å; F43-K48 HydrophobicContact CE1-CD 4.12Å; F43-K48 HydrophobicContact CE1-CG 4.31Å; F43-K48 HydrophobicContact CZ-CB 3.71Å; F43-K48 HydrophobicContact CZ-CG 4.34Å; F43-I63 HydrophobicContact CE2-CD1 4.39Å; F43-I63 HydrophobicContact CE2-CG1 4.21Å; F43-Y67 WeakPolarHBondContact CA-OH 3.23Å
44T95.3Very high95Very high60 Ų6060 Ų6037%0.36831%0.305SS..  trans-110.6159.3-174.6710000112.4K42 E46 T47 K48 Y67K42-T44 WeakPolarHBondContact O-CG2 3.35Å; K42-T44 PolarHBondContact O-N 2.92Å; T44-E46 PolarHBondContact O-N 2.77Å; T44-E46 PolarHBondContact OG1-N 2.81Å; T44-T47 PolarHBondContact O-N 3.21Å; T44-T47 PolarHBondContact OG1-N 3.18Å; T44-T47 VanDerWaalsContact OG1-N 3.1Å; T44-T47 PolarHBondContact OG1-OG1 3.27Å; T44-K48 PolarHBondContact O-N 2.84Å; T44-Y67 PolarHBondContact N-OH 3.11Å; T44-Y67 VanDerWaalsContact N-OH 3.11Å
45W94.6Very high94.5Very high56 Ų5662.7 Ų62.721%0.21233%0.326CS..Hα-helixtrans-60.5-34.4170.2-179.8-113.7000112.3T47 K48 L49 M52 D200 R202W45-T47 PolarHBondContact O-N 2.83Å; W45-K48 HydrophobicContact CE3-CB 3.96Å; W45-K48 HydrophobicContact CE3-CD 3.87Å; W45-K48 HydrophobicContact CE3-CG 4.07Å; W45-K48 HydrophobicContact CZ3-CB 4.31Å; W45-K48 HydrophobicContact CZ3-CD 3.64Å; W45-K48 HydrophobicContact CZ3-CG 3.91Å; W45-K48 WeakPolarHBondContact O-CB 3.33Å; W45-K48 PolarHBondContact O-N 2.89Å; W45-K48 VanDerWaalsContact O-N 3.16Å; W45-L49 HydrophobicContact CD2-CG 4.44Å; W45-L49 HydrophobicContact CZ2-CD2 3.63Å; W45-L49 HydrophobicContact CZ2-CG 4.14Å; W45-L49 WeakPolarHBondContact O-CG 3.33Å; W45-L49 PolarHBondContact O-N 2.96Å; W45-M52 HydrophobicContact CH2-CE 3.28Å; W45-M52 HydrophobicContact CZ2-CE 3.72Å; W45-M52 HydrophobicContact CZ3-CE 4.04Å; W45-D200 HydrophobicContact CH2-CB 4.06Å; W45-D200 HydrophobicContact CZ3-CB 4.3Å; W45-R202 HydrophobicContact CD2-CB 3.88Å; W45-R202 VanDerWaalsContact CE2-CB 3.44Å; W45-R202 HydrophobicContact CE3-CB 4.2Å; W45-R202 HydrophobicContact CH2-CB 3.74Å; W45-R202 HydrophobicContact CZ2-CB 3.41Å; W45-R202 VanDerWaalsContact CZ2-CB 3.41Å; W45-R202 VanDerWaalsContact CZ2-O 3.23Å; W45-R202 WeakPolarHBondContact CZ2-O 3.44Å; W45-R202 HydrophobicContact CZ3-CB 4.12Å
46E94.7Very high94Very high119 Ų11968.9 Ų68.956%0.55636%0.356SS*.Hα-helixtrans-60.9-45.1175.2-172.6-174.1160.400111.3T44 K48 L49 K50T44-E46 PolarHBondContact O-N 2.77Å; T44-E46 PolarHBondContact OG1-N 2.81Å; E46-K48 VanDerWaalsContact C-N 3.33Å; E46-K48 PolarHBondContact O-N 3.11Å; E46-L49 PolarHBondContact O-N 3.27Å; E46-K50 WeakPolarHBondContact O-CG 3.19Å; E46-K50 PolarHBondContact O-N 2.79Å; E46-K50 VanDerWaalsContact O-N 3.17Å; E46-K50 IonicContact OE1-NZ 3.56Å
47T95.4Very high93.7Very high1 Ų170.5 Ų70.51%0.00636%0.361CS..Hα-helixtrans-62.3-41.8173.6-47.90000111F43 T44 W45 L49 K50 Q51 L62 E66 Y67F43-T47 HydrophobicContact CD2-CG2 4.05Å; F43-T47 HydrophobicContact CE2-CG2 3.53Å; F43-T47 HydrophobicContact CZ-CG2 4.39Å; T44-T47 PolarHBondContact O-N 3.21Å; T44-T47 PolarHBondContact OG1-N 3.18Å; T44-T47 VanDerWaalsContact OG1-N 3.1Å; T44-T47 PolarHBondContact OG1-OG1 3.27Å; W45-T47 PolarHBondContact O-N 2.83Å; T47-L49 PolarHBondContact O-N 2.87Å; T47-K50 WeakPolarHBondContact O-CB 3.27Å; T47-K50 PolarHBondContact O-N 2.89Å; T47-K50 VanDerWaalsContact O-N 3.12Å; T47-Q51 WeakPolarHBondContact O-CG 3.09Å; T47-Q51 PolarHBondContact O-N 2.67Å; T47-Q51 VanDerWaalsContact O-N 3.14Å; T47-L62 HydrophobicContact CG2-CD2 3.78Å; T47-E66 HydrophobicContact CG2-CG 4.26Å; T47-Y67 HydrophobicContact CG2-CE2 3.88Å; T47-Y67 PolarHBondContact OG1-OH 2.85Å
48K94.4Very high93.5Very high20 Ų2067 Ų679%0.08735%0.352CS..Hα-helixtrans-59.6-43.9177.1-170.5155.3174.2173.90112.2E24 E28 F43 T44 W45 E46 K50 Q51 M52E24-K48 WeakPolarHBondContact OE2-CE 3.42Å; E24-K48 IonicContact OE2-NZ 3.74Å; E24-K48 PolarHBondContact OE2-NZ 3.45Å; E28-K48 VanDerWaalsContact OE1-CD 3.29Å; E28-K48 WeakPolarHBondContact OE1-CD 3.47Å; E28-K48 IonicContact OE1-NZ 2.7Å; E28-K48 PolarHBondContact OE1-NZ 3.33Å; F43-K48 HydrophobicContact CE1-CB 3.75Å; F43-K48 HydrophobicContact CE1-CD 4.12Å; F43-K48 HydrophobicContact CE1-CG 4.31Å; F43-K48 HydrophobicContact CZ-CB 3.71Å; F43-K48 HydrophobicContact CZ-CG 4.34Å; T44-K48 PolarHBondContact O-N 2.84Å; W45-K48 HydrophobicContact CE3-CB 3.96Å; W45-K48 HydrophobicContact CE3-CD 3.87Å; W45-K48 HydrophobicContact CE3-CG 4.07Å; W45-K48 HydrophobicContact CZ3-CB 4.31Å; W45-K48 HydrophobicContact CZ3-CD 3.64Å; W45-K48 HydrophobicContact CZ3-CG 3.91Å; W45-K48 WeakPolarHBondContact O-CB 3.33Å; W45-K48 PolarHBondContact O-N 2.89Å; W45-K48 VanDerWaalsContact O-N 3.16Å; E46-K48 VanDerWaalsContact C-N 3.33Å; E46-K48 PolarHBondContact O-N 3.11Å; K48-K50 VanDerWaalsContact C-N 3.29Å; K48-K50 PolarHBondContact O-N 2.78Å; K48-Q51 WeakPolarHBondContact O-CB 3.4Å; K48-Q51 PolarHBondContact O-N 2.67Å; K48-M52 WeakPolarHBondContact O-CG 3.41Å; K48-M52 PolarHBondContact O-N 2.77Å
49L92.9Very high93.4Very high52 Ų5263.9 Ų63.927%0.27234%0.343SS..Hα-helixtrans-57.3-42.6174.3-72.9175000111.5W45 E46 T47 Q51 M52W45-L49 HydrophobicContact CD2-CG 4.44Å; W45-L49 HydrophobicContact CZ2-CD2 3.63Å; W45-L49 HydrophobicContact CZ2-CG 4.14Å; W45-L49 WeakPolarHBondContact O-CG 3.33Å; W45-L49 PolarHBondContact O-N 2.96Å; E46-L49 PolarHBondContact O-N 3.27Å; T47-L49 PolarHBondContact O-N 2.87Å; L49-Q51 PolarHBondContact O-N 3.28Å; L49-M52 HydrophobicContact CD2-CE 3.94Å; L49-M52 HydrophobicContact CD2-SD 3.88Å; L49-M52 PolarHBondContact O-N 3.05Å
50K93.4Very high93.3Very high72 Ų7261.2 Ų61.231%0.31331%0.311SS..Hα-helixtrans-64.5-26.3177.1-65.2172.9-178.9175.30113.1E46 T47 K48 R54 L62 E66E46-K50 WeakPolarHBondContact O-CG 3.19Å; E46-K50 PolarHBondContact O-N 2.79Å; E46-K50 VanDerWaalsContact O-N 3.17Å; E46-K50 IonicContact OE1-NZ 3.56Å; T47-K50 WeakPolarHBondContact O-CB 3.27Å; T47-K50 PolarHBondContact O-N 2.89Å; T47-K50 VanDerWaalsContact O-N 3.12Å; K48-K50 VanDerWaalsContact C-N 3.29Å; K48-K50 PolarHBondContact O-N 2.78Å; K50-R54 WeakPolarHBondContact O-CD 3.27Å; K50-R54 PolarHBondContact O-NE 3.26Å; K50-L62 HydrophobicContact CB-CD1 3.78Å; K50-L62 HydrophobicContact CB-CD2 3.97Å; K50-E66 IonicContact NZ-OE1 2.67Å; K50-E66 PolarHBondContact NZ-OE1 3.35Å; K50-E66 IonicContact NZ-OE2 2.83Å; K50-E66 PolarHBondContact NZ-OE2 2.92Å
51Q92.7Very high93.4Very high31 Ų3161.6 Ų61.615%0.14531%0.31CS..Hα-helixtrans-82.4-21.3176.8-67.3-178.2-4900114.1T47 K48 L49 G53 R54 A59 L62 I63T47-Q51 WeakPolarHBondContact O-CG 3.09Å; T47-Q51 PolarHBondContact O-N 2.67Å; T47-Q51 VanDerWaalsContact O-N 3.14Å; K48-Q51 WeakPolarHBondContact O-CB 3.4Å; K48-Q51 PolarHBondContact O-N 2.67Å; L49-Q51 PolarHBondContact O-N 3.28Å; Q51-G53 PolarHBondContact O-N 2.96Å; Q51-R54 VanDerWaalsContact O-CB 3.29Å; Q51-R54 WeakPolarHBondContact O-CB 3.45Å; Q51-R54 WeakPolarHBondContact O-CG 3.35Å; Q51-R54 PolarHBondContact O-N 2.62Å; Q51-R54 VanDerWaalsContact O-N 3.07Å; Q51-A59 HydrophobicContact CB-CB 4.13Å; Q51-A59 HydrophobicContact CG-CB 4.02Å; Q51-A59 PolarHBondContact NE2-O 3.5Å; Q51-L62 HydrophobicContact CG-CD2 4.08Å; Q51-I63 VanDerWaalsContact NE2-CG1 3.27Å
52M88.9Confident93.5Very high41 Ų4161 Ų6120%0.20230%0.3CS..THydrogen-bonded Turntrans-57.5134.1-174.5-70.2-172.5175.900111.9W45 K48 L49 R54 M203W45-M52 HydrophobicContact CH2-CE 3.28Å; W45-M52 HydrophobicContact CZ2-CE 3.72Å; W45-M52 HydrophobicContact CZ3-CE 4.04Å; K48-M52 WeakPolarHBondContact O-CG 3.41Å; K48-M52 PolarHBondContact O-N 2.77Å; L49-M52 HydrophobicContact CD2-CE 3.94Å; L49-M52 HydrophobicContact CD2-SD 3.88Å; L49-M52 PolarHBondContact O-N 3.05Å; M52-R54 PolarHBondContact O-N 3.18Å; M52-M203 HydrophobicContact CE-CB 4.49Å; M52-M203 HydrophobicContact CE-CE 3.91Å; M52-M203 HydrophobicContact CE-CG 4.33Å; M52-M203 HydrophobicContact SD-CE 4.09Å; M52-M203 HydrophobicContact SD-CG 4.34Å
53G87.2Confident93.5Very high40 Ų4054 Ų5441%0.41227%0.27SS..THydrogen-bonded Turntrans77.1-1.2-179.300000115.1Q51 N183Q51-G53 PolarHBondContact O-N 2.96Å; G53-N183 WeakPolarHBondContact CA-OD1 3.46Å; G53-N183 PolarHBondContact O-OD1 3.07Å; G53-N183 VanDerWaalsContact O-OD1 3.14Å
54R91.1Very high93.6Very high122 Ų12254.4 Ų54.446%0.4627%0.272SS..SBendtrans-85.4158.3176.5-61.1-174.2-178.6-101.5-1.2112.1K50 Q51 M52 D58 N183K50-R54 WeakPolarHBondContact O-CD 3.27Å; K50-R54 PolarHBondContact O-NE 3.26Å; Q51-R54 VanDerWaalsContact O-CB 3.29Å; Q51-R54 WeakPolarHBondContact O-CB 3.45Å; Q51-R54 WeakPolarHBondContact O-CG 3.35Å; Q51-R54 PolarHBondContact O-N 2.62Å; Q51-R54 VanDerWaalsContact O-N 3.07Å; M52-R54 PolarHBondContact O-N 3.18Å; R54-D58 HydrophobicContact CB-CB 4.26Å; R54-N183 PolarHBondContact O-ND2 3.19Å
55A88.4Confident93.7Very high55 Ų5558.4 Ų58.446%0.45529%0.287SS..  trans-65.1153.7164.600000110.1E57 D58 A59A55-E57 VanDerWaalsContact C-N 3.29Å; A55-E57 PolarHBondContact O-N 3.31Å; A55-D58 PolarHBondContact O-N 3.4Å; A55-D58 VanDerWaalsContact O-N 3.17Å; A55-A59 PolarHBondContact O-N 3.07Å
56Q87.7Confident93.9Very high131 Ų13159.8 Ų59.861%0.61230%0.296SS*.Hα-helixtrans-57.8-41.6-176.5-175.8176.97.600112.5A59 Y60Q56-A59 WeakPolarHBondContact O-CB 3.25Å; Q56-A59 PolarHBondContact O-N 2.83Å; Q56-Y60 HydrophobicContact CG-CD2 4.03Å; Q56-Y60 HydrophobicContact CG-CE2 3.9Å; Q56-Y60 VanDerWaalsContact O-CD2 3.31Å; Q56-Y60 WeakPolarHBondContact O-CD2 3.25Å; Q56-Y60 PolarHBondContact O-N 3.03Å; Q56-Y60 VanDerWaalsContact O-N 3.1Å
57E91.4Very high94Very high106 Ų10655 Ų5550%0.49527%0.273SS..Hα-helixtrans-63.4-43.6179.3-163.3179.6166.200111.7A55 A59 Y60 R61 V73A55-E57 VanDerWaalsContact C-N 3.29Å; A55-E57 PolarHBondContact O-N 3.31Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 2.78Å; E57-Y60 PolarHBondContact O-N 3.1Å; E57-R61 WeakPolarHBondContact O-CG 3.42Å; E57-R61 PolarHBondContact O-N 2.78Å; E57-R61 IonicContact OE1-CZ 2.63Å; E57-R61 IonicContact OE1-NE 3.38Å; E57-R61 IonicContact OE1-NH2 3.79Å; E57-R61 PolarHBondContact OE1-NH2 3.38Å; E57-R61 IonicContact OE2-NH2 3.41Å; E57-V73 HydrophobicContact CG-CG1 4.05Å
58D94.5Very high94.1Very high61 Ų6158.9 Ų58.933%0.32630%0.299SS..Hα-helixtrans-66.7-33.4176.6-64.5-30.5000112.1R54 A55 Y60 R61 L62R54-D58 HydrophobicContact CB-CB 4.26Å; A55-D58 PolarHBondContact O-N 3.4Å; A55-D58 VanDerWaalsContact O-N 3.17Å; D58-Y60 VanDerWaalsContact C-N 3.33Å; D58-R61 PolarHBondContact O-N 3.03Å; D58-R61 IonicContact OD1-CZ 2.75Å; D58-R61 IonicContact OD1-NH1 3.73Å; D58-R61 PolarHBondContact OD1-NH1 2.95Å; D58-L62 WeakPolarHBondContact O-CB 3.48Å; D58-L62 PolarHBondContact O-N 3.08Å
59A94.5Very high94.3Very high16 Ų1658.4 Ų58.413%0.13230%0.298CS..Hα-helixtrans-63.3-40173.600000111.5Q51 A55 Q56 E57 I63Q51-A59 HydrophobicContact CB-CB 4.13Å; Q51-A59 HydrophobicContact CG-CB 4.02Å; Q51-A59 PolarHBondContact NE2-O 3.5Å; A55-A59 PolarHBondContact O-N 3.07Å; Q56-A59 WeakPolarHBondContact O-CB 3.25Å; Q56-A59 PolarHBondContact O-N 2.83Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 2.78Å; A59-I63 WeakPolarHBondContact O-CG1 3Å; A59-I63 PolarHBondContact O-N 2.72Å
60Y96.9Very high94.5Very high15 Ų1560.4 Ų60.46%0.05931%0.314CS..Hα-helixtrans-70.9-39.4174.3-82.4-70.9000113.1Q56 E57 D58 L62 I63 I64 L76 V77 T80Q56-Y60 HydrophobicContact CG-CD2 4.03Å; Q56-Y60 HydrophobicContact CG-CE2 3.9Å; Q56-Y60 VanDerWaalsContact O-CD2 3.31Å; Q56-Y60 WeakPolarHBondContact O-CD2 3.25Å; Q56-Y60 PolarHBondContact O-N 3.03Å; Q56-Y60 VanDerWaalsContact O-N 3.1Å; E57-Y60 PolarHBondContact O-N 3.1Å; D58-Y60 VanDerWaalsContact C-N 3.33Å; Y60-L62 VanDerWaalsContact C-N 3.28Å; Y60-L62 PolarHBondContact O-N 2.82Å; Y60-I63 HydrophobicContact CD1-CD1 4.21Å; Y60-I63 PolarHBondContact O-N 2.78Å; Y60-I64 WeakPolarHBondContact O-CG1 3.24Å; Y60-I64 PolarHBondContact O-N 3.04Å; Y60-I64 VanDerWaalsContact O-N 3.12Å; Y60-L76 HydrophobicContact CD1-CD2 3.67Å; Y60-L76 HydrophobicContact CD1-CG 3.75Å; Y60-L76 HydrophobicContact CE1-CD2 4.44Å; Y60-L76 HydrophobicContact CE1-CG 4.14Å; Y60-V77 HydrophobicContact CD1-CG2 4.11Å; Y60-V77 HydrophobicContact CD2-CG2 3.65Å; Y60-V77 HydrophobicContact CE1-CG2 4.07Å; Y60-V77 HydrophobicContact CE2-CG2 3.62Å; Y60-V77 HydrophobicContact CG-CG2 3.9Å; Y60-T80 HydrophobicContact CE1-CG2 4.37Å; Y60-T80 PolarHBondContact OH-OG1 3.1Å
61R98Very high94.7Very high102 Ų10257.9 Ų57.939%0.38530%0.304SS..Hα-helixtrans-57.8-43.2172.5-69.7175.8-171.4151.4-7.9111.2E57 D58 I63 I64 E65 V73E57-R61 WeakPolarHBondContact O-CG 3.42Å; E57-R61 PolarHBondContact O-N 2.78Å; E57-R61 IonicContact OE1-CZ 2.63Å; E57-R61 IonicContact OE1-NE 3.38Å; E57-R61 IonicContact OE1-NH2 3.79Å; E57-R61 PolarHBondContact OE1-NH2 3.38Å; E57-R61 IonicContact OE2-NH2 3.41Å; D58-R61 PolarHBondContact O-N 3.03Å; D58-R61 IonicContact OD1-CZ 2.75Å; D58-R61 IonicContact OD1-NH1 3.73Å; D58-R61 PolarHBondContact OD1-NH1 2.95Å; R61-I63 VanDerWaalsContact C-N 3.35Å; R61-I63 PolarHBondContact O-N 2.84Å; R61-I64 WeakPolarHBondContact O-CB 3.31Å; R61-I64 PolarHBondContact O-N 2.94Å; R61-I64 VanDerWaalsContact O-N 3.13Å; R61-E65 WeakPolarHBondContact O-CG 3.31Å; R61-E65 PolarHBondContact O-N 2.98Å; R61-V73 HydrophobicContact CB-CG2 4.4Å; R61-V73 HydrophobicContact CG-CG2 3.37Å
62L97.6Very high95Very high17 Ų1758.9 Ų58.99%0.08931%0.314CS..Hα-helixtrans-60.5-41.6176.9-170.4147.3000112.5T47 K50 Q51 D58 Y60 I64 E65 E66T47-L62 HydrophobicContact CG2-CD2 3.78Å; K50-L62 HydrophobicContact CB-CD1 3.78Å; K50-L62 HydrophobicContact CB-CD2 3.97Å; Q51-L62 HydrophobicContact CG-CD2 4.08Å; D58-L62 WeakPolarHBondContact O-CB 3.48Å; D58-L62 PolarHBondContact O-N 3.08Å; Y60-L62 VanDerWaalsContact C-N 3.28Å; Y60-L62 PolarHBondContact O-N 2.82Å; L62-I64 VanDerWaalsContact C-N 3.31Å; L62-I64 PolarHBondContact O-N 3.08Å; L62-E65 PolarHBondContact O-N 3.24Å; L62-E66 HydrophobicContact CD2-CB 4.42Å; L62-E66 WeakPolarHBondContact O-CB 3.41Å; L62-E66 PolarHBondContact O-N 2.88Å
63I98Very high95.4Very high1 Ų158.4 Ų58.41%0.00531%0.314CS..Hα-helixtrans-61.2-43.5175.3-67.6161.5000110.6I31 T35 F43 Q51 A59 Y60 R61 E65 Y67 L69 L76I31-I63 HydrophobicContact CD1-CD1 3.68Å; I31-I63 HydrophobicContact CG1-CD1 4.12Å; I31-I63 HydrophobicContact CG2-CD1 3.96Å; I31-I63 HydrophobicContact CG2-CG1 4.44Å; I31-I63 HydrophobicContact CG2-CG2 3.93Å; T35-I63 HydrophobicContact CG2-CG2 4.33Å; F43-I63 HydrophobicContact CE2-CD1 4.39Å; F43-I63 HydrophobicContact CE2-CG1 4.21Å; Q51-I63 VanDerWaalsContact NE2-CG1 3.27Å; A59-I63 WeakPolarHBondContact O-CG1 3Å; A59-I63 PolarHBondContact O-N 2.72Å; Y60-I63 HydrophobicContact CD1-CD1 4.21Å; Y60-I63 PolarHBondContact O-N 2.78Å; R61-I63 VanDerWaalsContact C-N 3.35Å; R61-I63 PolarHBondContact O-N 2.84Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.13Å; I63-Y67 HydrophobicContact CG2-CD2 4.1Å; I63-Y67 WeakPolarHBondContact O-CB 3.39Å; I63-Y67 WeakPolarHBondContact O-CD2 3.22Å; I63-Y67 PolarHBondContact O-N 3.35Å; I63-L69 HydrophobicContact CG2-CD1 3.96Å; I63-L76 HydrophobicContact CB-CD2 3.99Å; I63-L76 HydrophobicContact CG2-CD2 3.77Å
64I98.2Very high95.9Very high25 Ų2563.9 Ų63.913%0.12833%0.329CS..Hα-helixtrans-60.6-46.5179.7-68.8163000110.5Y60 R61 L62 S68 L69 L71 V73 L76Y60-I64 WeakPolarHBondContact O-CG1 3.24Å; Y60-I64 PolarHBondContact O-N 3.04Å; Y60-I64 VanDerWaalsContact O-N 3.12Å; R61-I64 WeakPolarHBondContact O-CB 3.31Å; R61-I64 PolarHBondContact O-N 2.94Å; R61-I64 VanDerWaalsContact O-N 3.13Å; L62-I64 VanDerWaalsContact C-N 3.31Å; L62-I64 PolarHBondContact O-N 3.08Å; I64-S68 CarbonylContact O-C 3.51Å; I64-S68 WeakPolarHBondContact O-CA 3.46Å; I64-S68 PolarHBondContact O-N 3.01Å; I64-L69 HydrophobicContact CG2-CB 4.45Å; I64-L69 PolarHBondContact O-N 3.34Å; I64-L71 WeakPolarHBondContact CD1-O 3.46Å; I64-L71 WeakPolarHBondContact CG2-O 3.37Å; I64-V73 HydrophobicContact CD1-CB 4.38Å; I64-V73 HydrophobicContact CD1-CG2 3.83Å; I64-L76 HydrophobicContact CD1-CB 4.35Å; I64-L76 HydrophobicContact CD1-CD2 4.17Å; I64-L76 HydrophobicContact CG1-CB 4.46Å; I64-L76 HydrophobicContact CG1-CD2 3.66Å
65E97.7Very high96.2Very high143 Ų14362.7 Ų62.767%0.66833%0.328SS*.Hα-helixtrans-65.9-53.6179.3-70.2170.7-168.800111.7R61 L62 I63 Y67 S68R61-E65 WeakPolarHBondContact O-CG 3.31Å; R61-E65 PolarHBondContact O-N 2.98Å; L62-E65 PolarHBondContact O-N 3.24Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.13Å; E65-Y67 VanDerWaalsContact C-N 3.33Å; E65-Y67 PolarHBondContact O-N 2.6Å; E65-S68 PolarHBondContact O-N 3.09Å
66E97.4Very high96.7Very high85 Ų8560 Ų6040%0.39731%0.306SS..Hα-helixtrans-59.6-41.3-175.9-174.878.1-171.600112.1T47 K50 L62T47-E66 HydrophobicContact CG2-CG 4.26Å; K50-E66 IonicContact NZ-OE1 2.67Å; K50-E66 PolarHBondContact NZ-OE1 3.35Å; K50-E66 IonicContact NZ-OE2 2.83Å; K50-E66 PolarHBondContact NZ-OE2 2.92Å; L62-E66 HydrophobicContact CD2-CB 4.42Å; L62-E66 WeakPolarHBondContact O-CB 3.41Å; L62-E66 PolarHBondContact O-N 2.88Å
67Y97.9Very high97.1Very high20 Ų2055.4 Ų55.48%0.07829%0.287CS..THydrogen-bonded Turntrans-94-0.2179.2-69.4-94.8000112.8T35 K40 K42 F43 T44 T47 I63 E65 L69T35-Y67 HydrophobicContact CG2-CD1 3.77Å; T35-Y67 HydrophobicContact CG2-CD2 4.16Å; T35-Y67 HydrophobicContact CG2-CE1 4.23Å; T35-Y67 HydrophobicContact CG2-CG 3.74Å; K40-Y67 HydrophobicContact CB-CD1 3.8Å; K40-Y67 HydrophobicContact CB-CG 4.45Å; K40-Y67 WeakPolarHBondContact CD-O 3.48Å; K40-Y67 WeakPolarHBondContact CE-O 3.43Å; K40-Y67 WeakPolarHBondContact CG-O 3.23Å; K42-Y67 WeakPolarHBondContact O-CE1 3.44Å; K42-Y67 PolarHBondContact O-OH 3.26Å; F43-Y67 WeakPolarHBondContact CA-OH 3.23Å; T44-Y67 PolarHBondContact N-OH 3.11Å; T44-Y67 VanDerWaalsContact N-OH 3.11Å; T47-Y67 HydrophobicContact CG2-CE2 3.88Å; T47-Y67 PolarHBondContact OG1-OH 2.85Å; I63-Y67 HydrophobicContact CG2-CD2 4.1Å; I63-Y67 WeakPolarHBondContact O-CB 3.39Å; I63-Y67 WeakPolarHBondContact O-CD2 3.22Å; I63-Y67 PolarHBondContact O-N 3.35Å; E65-Y67 VanDerWaalsContact C-N 3.33Å; E65-Y67 PolarHBondContact O-N 2.6Å; Y67-L69 VanDerWaalsContact C-N 3.29Å; Y67-L69 PolarHBondContact O-N 3.44Å
68S97.6Very high97.4Very high81 Ų8157.8 Ų57.857%0.56630%0.296SS*.THydrogen-bonded Turntrans48.151.1-174.8-55.50000112.1I64 E65I64-S68 CarbonylContact O-C 3.51Å; I64-S68 WeakPolarHBondContact O-CA 3.46Å; I64-S68 PolarHBondContact O-N 3.01Å; E65-S68 PolarHBondContact O-N 3.09Å
69L98Very high97.6Very high10 Ų1057 Ų575%0.05229%0.29CS..  trans-77.2136.7-178.6-60.8177.1000110.4T35 Y38 K40 I63 I64 Y67 L71 L76T35-L69 HydrophobicContact CG2-CD1 4.16Å; T35-L69 HydrophobicContact CG2-CD2 4.32Å; Y38-L69 HydrophobicContact CD2-CD2 3.98Å; Y38-L69 HydrophobicContact CG-CD2 4.11Å; K40-L69 HydrophobicContact CG-CD2 4Å; I63-L69 HydrophobicContact CG2-CD1 3.96Å; I64-L69 HydrophobicContact CG2-CB 4.45Å; I64-L69 PolarHBondContact O-N 3.34Å; Y67-L69 VanDerWaalsContact C-N 3.29Å; Y67-L69 PolarHBondContact O-N 3.44Å; L69-L71 HydrophobicContact CB-CB 4.36Å; L69-L71 HydrophobicContact CB-CG 4.47Å; L69-L71 PolarHBondContact O-N 3.21Å; L69-L76 HydrophobicContact CD1-CD1 4.17Å; L69-L76 HydrophobicContact CD1-CD2 4.19Å
70P97.7Very high97.8Very high94 Ų9456.2 Ų56.261%0.6128%0.284SS*.SBendtrans-81.850.1175.536.6-37.1000110.9Y38Y38-P70 HydrophobicContact CD1-CG 3.56Å; Y38-P70 HydrophobicContact CE1-CG 3.52Å
71L98Very high97.7Very high19 Ų1956.6 Ų56.610%0.09929%0.287CS..  trans-131.1144.6-173.7-68.7-177.8000111.1V34 Y38 I64 L69 Q75 L76V34-L71 HydrophobicContact CG1-CD1 4.15Å; Y38-L71 HydrophobicContact CE2-CD1 3.73Å; Y38-L71 HydrophobicContact CE2-CG 4.22Å; Y38-L71 VanDerWaalsContact OH-CD2 3.32Å; Y38-L71 WeakPolarHBondContact OH-CD2 3.35Å; I64-L71 WeakPolarHBondContact CD1-O 3.46Å; I64-L71 WeakPolarHBondContact CG2-O 3.37Å; L69-L71 HydrophobicContact CB-CB 4.36Å; L69-L71 HydrophobicContact CB-CG 4.47Å; L69-L71 PolarHBondContact O-N 3.21Å; L71-Q75 HydrophobicContact CB-CB 4.3Å; L71-Q75 HydrophobicContact CD2-CB 3.83Å; L71-L76 HydrophobicContact CD1-CB 4.28Å; L71-L76 HydrophobicContact CD1-CD1 4.29Å
72S98Very high97.7Very high53 Ų5355.1 Ų55.137%0.37130%0.296SS..  trans-74.4162.6160.276.70000110.9E74 Q75 L76S72-E74 VanDerWaalsContact C-N 3.25Å; S72-E74 PolarHBondContact O-N 3.41Å; S72-Q75 PolarHBondContact O-N 2.89Å; S72-Q75 VanDerWaalsContact O-N 3.13Å; S72-Q75 WeakPolarHBondContact OG-CG 3.42Å; S72-Q75 PolarHBondContact OG-N 3.27Å; S72-L76 PolarHBondContact O-N 3Å
73V97.8Very high97.7Very high31 Ų3155.3 Ų55.319%0.18830%0.297CS..Hα-helixtrans-54.6-44.2173.3174.60000111.2E57 R61 I64 Q75 L76 V77E57-V73 HydrophobicContact CG-CG1 4.05Å; R61-V73 HydrophobicContact CB-CG2 4.4Å; R61-V73 HydrophobicContact CG-CG2 3.37Å; I64-V73 HydrophobicContact CD1-CB 4.38Å; I64-V73 HydrophobicContact CD1-CG2 3.83Å; V73-Q75 VanDerWaalsContact C-N 3.34Å; V73-Q75 PolarHBondContact O-N 3.32Å; V73-L76 PolarHBondContact O-N 2.93Å; V73-V77 HydrophobicContact CG1-CG2 4.19Å; V73-V77 WeakPolarHBondContact O-CB 3.43Å; V73-V77 VanDerWaalsContact O-CG2 3.24Å; V73-V77 WeakPolarHBondContact O-CG2 3.3Å; V73-V77 PolarHBondContact O-N 2.99Å
74E97.8Very high97.7Very high155 Ų15555.3 Ų55.372%0.72430%0.297SS*.Hα-helixtrans-59.8-43.8178-173.2-171.216600111.8S72 K78S72-E74 VanDerWaalsContact C-N 3.25Å; S72-E74 PolarHBondContact O-N 3.41Å; E74-K78 VanDerWaalsContact O-CB 3.3Å; E74-K78 WeakPolarHBondContact O-CB 3.33Å; E74-K78 PolarHBondContact O-N 3.48Å
75Q98.3Very high97.6Very high96 Ų9658.3 Ų58.345%0.44931%0.312SS..Hα-helixtrans-67.6-40.9179.2-68.7170.3-40.100111.8L71 S72 V73 K78 Q79L71-Q75 HydrophobicContact CB-CB 4.3Å; L71-Q75 HydrophobicContact CD2-CB 3.83Å; S72-Q75 PolarHBondContact O-N 2.89Å; S72-Q75 VanDerWaalsContact O-N 3.13Å; S72-Q75 WeakPolarHBondContact OG-CG 3.42Å; S72-Q75 PolarHBondContact OG-N 3.27Å; V73-Q75 VanDerWaalsContact C-N 3.34Å; V73-Q75 PolarHBondContact O-N 3.32Å; Q75-K78 PolarHBondContact O-N 3.34Å; Q75-Q79 WeakPolarHBondContact O-CG 3.4Å; Q75-Q79 PolarHBondContact O-N 2.96Å
76L98.2Very high97.5Very high0 Ų054.1 Ų54.10%031%0.307CS..Hα-helixtrans-63.5-48.6176.4178.956.4000110.9V34 Y60 I63 I64 L69 L71 S72 V73 K78 Q79 T80V34-L76 HydrophobicContact CB-CD1 4.28Å; V34-L76 HydrophobicContact CG1-CD1 3.65Å; Y60-L76 HydrophobicContact CD1-CD2 3.67Å; Y60-L76 HydrophobicContact CD1-CG 3.75Å; Y60-L76 HydrophobicContact CE1-CD2 4.44Å; Y60-L76 HydrophobicContact CE1-CG 4.14Å; I63-L76 HydrophobicContact CB-CD2 3.99Å; I63-L76 HydrophobicContact CG2-CD2 3.77Å; I64-L76 HydrophobicContact CD1-CB 4.35Å; I64-L76 HydrophobicContact CD1-CD2 4.17Å; I64-L76 HydrophobicContact CG1-CB 4.46Å; I64-L76 HydrophobicContact CG1-CD2 3.66Å; L69-L76 HydrophobicContact CD1-CD1 4.17Å; L69-L76 HydrophobicContact CD1-CD2 4.19Å; L71-L76 HydrophobicContact CD1-CB 4.28Å; L71-L76 HydrophobicContact CD1-CD1 4.29Å; S72-L76 PolarHBondContact O-N 3Å; V73-L76 PolarHBondContact O-N 2.93Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 3.49Å; L76-Q79 PolarHBondContact O-N 3.33Å; L76-Q79 VanDerWaalsContact O-N 3.17Å; L76-T80 HydrophobicContact CD1-CG2 4.03Å; L76-T80 PolarHBondContact O-N 3.33Å; L76-T80 PolarHBondContact O-OG1 2.83Å; L76-T80 VanDerWaalsContact O-OG1 3.12Å
77V96.6Very high97.5Very high34 Ų3453.4 Ų53.421%0.20630%0.301CS..Hα-helixtrans-56.3-44.5175.2169.60000111Y60 V73 Q79 T80 D81Y60-V77 HydrophobicContact CD1-CG2 4.11Å; Y60-V77 HydrophobicContact CD2-CG2 3.65Å; Y60-V77 HydrophobicContact CE1-CG2 4.07Å; Y60-V77 HydrophobicContact CE2-CG2 3.62Å; Y60-V77 HydrophobicContact CG-CG2 3.9Å; V73-V77 HydrophobicContact CG1-CG2 4.19Å; V73-V77 WeakPolarHBondContact O-CB 3.43Å; V73-V77 VanDerWaalsContact O-CG2 3.24Å; V73-V77 WeakPolarHBondContact O-CG2 3.3Å; V73-V77 PolarHBondContact O-N 2.99Å; V77-Q79 VanDerWaalsContact C-N 3.35Å; V77-Q79 PolarHBondContact O-N 2.86Å; V77-T80 PolarHBondContact O-N 2.86Å; V77-T80 PolarHBondContact O-OG1 3.1Å; V77-T80 VanDerWaalsContact O-OG1 3.11Å; V77-D81 WeakPolarHBondContact O-CB 3.42Å; V77-D81 VanDerWaalsContact O-CG 3.25Å; V77-D81 PolarHBondContact O-N 2.9Å
78K97.5Very high97.5Very high156 Ų15652.5 Ų52.568%0.67830%0.297SS*.Hα-helixtrans-62.1-42178.7-177.1178.2179.21790112.1E74 Q75 L76 A82E74-K78 VanDerWaalsContact O-CB 3.3Å; E74-K78 WeakPolarHBondContact O-CB 3.33Å; E74-K78 PolarHBondContact O-N 3.48Å; Q75-K78 PolarHBondContact O-N 3.34Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 3.49Å; K78-A82 PolarHBondContact O-N 2.89Å
79Q98.2Very high97.6Very high43 Ų4350.5 Ų50.520%0.20128%0.282CS..Hα-helixtrans-70.3-42.8179.5-72.1-166.848.400112.3V34 Y38 Q75 L76 V77 A82V34-Q79 HydrophobicContact CG1-CB 4.34Å; V34-Q79 HydrophobicContact CG2-CB 3.74Å; Y38-Q79 PolarHBondContact OH-NE2 2.89Å; Y38-Q79 VanDerWaalsContact OH-NE2 3.11Å; Q75-Q79 WeakPolarHBondContact O-CG 3.4Å; Q75-Q79 PolarHBondContact O-N 2.96Å; L76-Q79 PolarHBondContact O-N 3.33Å; L76-Q79 VanDerWaalsContact O-N 3.17Å; V77-Q79 VanDerWaalsContact C-N 3.35Å; V77-Q79 PolarHBondContact O-N 2.86Å; Q79-A82 PolarHBondContact O-N 3.12Å
80T97.6Very high97.5Very high1 Ų153.4 Ų53.41%0.00630%0.298CS..Hα-helixtrans-67.7-42.9176.854.20000111.2I31 V34 Y60 L76 V77 A82 I83 L84I31-T80 HydrophobicContact CG1-CG2 4.01Å; V34-T80 HydrophobicContact CG2-CG2 4Å; Y60-T80 HydrophobicContact CE1-CG2 4.37Å; Y60-T80 PolarHBondContact OH-OG1 3.1Å; L76-T80 HydrophobicContact CD1-CG2 4.03Å; L76-T80 PolarHBondContact O-N 3.33Å; L76-T80 PolarHBondContact O-OG1 2.83Å; L76-T80 VanDerWaalsContact O-OG1 3.12Å; V77-T80 PolarHBondContact O-N 2.86Å; V77-T80 PolarHBondContact O-OG1 3.1Å; V77-T80 VanDerWaalsContact O-OG1 3.11Å; T80-A82 VanDerWaalsContact C-N 3.28Å; T80-A82 PolarHBondContact O-N 3.16Å; T80-I83 PolarHBondContact O-N 2.98Å; T80-I83 VanDerWaalsContact O-N 3.15Å; T80-L84 WeakPolarHBondContact O-CB 3.4Å; T80-L84 VanDerWaalsContact O-CG 3.22Å; T80-L84 WeakPolarHBondContact O-CG 3.3Å; T80-L84 PolarHBondContact O-N 3.25Å
81D96.2Very high97.6Very high22 Ų2248.9 Ų48.912%0.11827%0.269CS..Hα-helixtrans-58.4-38.8177.7-83.4-6000111.9V77 I83 L84 M85 Y121V77-D81 WeakPolarHBondContact O-CB 3.42Å; V77-D81 VanDerWaalsContact O-CG 3.25Å; V77-D81 PolarHBondContact O-N 2.9Å; D81-I83 VanDerWaalsContact C-N 3.33Å; D81-I83 PolarHBondContact O-N 3.16Å; D81-L84 PolarHBondContact O-N 3.04Å; D81-M85 WeakPolarHBondContact O-CB 3.45Å; D81-M85 VanDerWaalsContact O-CG 3.23Å; D81-M85 WeakPolarHBondContact O-CG 3.4Å; D81-M85 PolarHBondContact O-N 2.93Å; D81-Y121 PolarHBondContact OD2-OH 3.39Å
82A96.8Very high97.6Very high71 Ų7153.2 Ų53.259%0.58729%0.288SS*.Hα-helixtrans-61.8-39.4178.100000112.6K78 Q79 T80K78-A82 PolarHBondContact O-N 2.89Å; Q79-A82 PolarHBondContact O-N 3.12Å; T80-A82 VanDerWaalsContact C-N 3.28Å; T80-A82 PolarHBondContact O-N 3.16Å
83I97.6Very high97.6Very high22 Ų2252.8 Ų52.811%0.11328%0.282CS..Hα-helixtrans-72.1-48.3176.5-61.2158.5000109.8A30 E33 V34 T80 D81 M85 G86 R87A30-I83 HydrophobicContact CB-CB 3.99Å; A30-I83 HydrophobicContact CB-CD1 4.39Å; A30-I83 HydrophobicContact CB-CG2 3.86Å; E33-I83 HydrophobicContact CB-CD1 3.95Å; E33-I83 HydrophobicContact CG-CD1 4.05Å; V34-I83 HydrophobicContact CG2-CD1 3.82Å; T80-I83 PolarHBondContact O-N 2.98Å; T80-I83 VanDerWaalsContact O-N 3.15Å; D81-I83 VanDerWaalsContact C-N 3.33Å; D81-I83 PolarHBondContact O-N 3.16Å; I83-M85 VanDerWaalsContact C-N 3.31Å; I83-M85 PolarHBondContact O-N 2.95Å; I83-G86 PolarHBondContact O-N 2.83Å; I83-G86 VanDerWaalsContact O-N 3.09Å; I83-R87 PolarHBondContact O-N 3.09Å
84L97.8Very high97.6Very high1 Ų153.6 Ų53.61%0.00528%0.284CS..Hα-helixtrans-59.7-39.2-177.9-73.8169.8000112.8F26 Y27 A30 T80 D81 G86 R87 F88F26-L84 HydrophobicContact CB-CD2 3.93Å; F26-L84 WeakPolarHBondContact O-CD2 3.39Å; Y27-L84 HydrophobicContact CD1-CD1 3.59Å; Y27-L84 HydrophobicContact CD1-CD2 3.95Å; Y27-L84 HydrophobicContact CD1-CG 4.43Å; Y27-L84 HydrophobicContact CE1-CD1 3.47Å; Y27-L84 VanDerWaalsContact CE1-CD1 3.47Å; Y27-L84 HydrophobicContact CE1-CD2 4.21Å; Y27-L84 HydrophobicContact CE1-CG 4.49Å; Y27-L84 HydrophobicContact CG-CD2 4.23Å; A30-L84 HydrophobicContact CB-CD1 4.5Å; A30-L84 HydrophobicContact CB-CD2 3.89Å; A30-L84 HydrophobicContact CB-CG 3.77Å; T80-L84 WeakPolarHBondContact O-CB 3.4Å; T80-L84 VanDerWaalsContact O-CG 3.22Å; T80-L84 WeakPolarHBondContact O-CG 3.3Å; T80-L84 PolarHBondContact O-N 3.25Å; D81-L84 PolarHBondContact O-N 3.04Å; L84-G86 PolarHBondContact O-N 2.89Å; L84-R87 PolarHBondContact O-N 2.85Å; L84-F88 HydrophobicContact CB-CD2 4.42Å; L84-F88 HydrophobicContact CB-CE1 4Å; L84-F88 HydrophobicContact CB-CE2 3.78Å; L84-F88 HydrophobicContact CB-CZ 3.56Å; L84-F88 HydrophobicContact CD1-CZ 4.1Å; L84-F88 HydrophobicContact CD2-CE1 3.85Å; L84-F88 HydrophobicContact CD2-CZ 4.06Å; L84-F88 HydrophobicContact CG-CE1 4.4Å; L84-F88 HydrophobicContact CG-CZ 4.13Å; L84-F88 WeakPolarHBondContact O-CD2 3.45Å; L84-F88 WeakPolarHBondContact O-CG 3.49Å; L84-F88 PolarHBondContact O-N 3.38Å
85M96.5Very high97.7Very high88 Ų8849.9 Ų49.943%0.43327%0.273SS..Hα-helixtrans-59.3-33.5177.3-79.4-178.961.300112.7D81 I83 R87 Y121 L124D81-M85 WeakPolarHBondContact O-CB 3.45Å; D81-M85 VanDerWaalsContact O-CG 3.23Å; D81-M85 WeakPolarHBondContact O-CG 3.4Å; D81-M85 PolarHBondContact O-N 2.93Å; I83-M85 VanDerWaalsContact C-N 3.31Å; I83-M85 PolarHBondContact O-N 2.95Å; M85-R87 VanDerWaalsContact C-N 3.33Å; M85-Y121 HydrophobicContact CG-CD1 4.43Å; M85-Y121 HydrophobicContact CG-CE1 3.89Å; M85-Y121 HydrophobicContact SD-CE1 4.21Å; M85-L124 HydrophobicContact CG-CD1 4.38Å
86G96.5Very high97.7Very high55 Ų5545.8 Ų45.857%0.56726%0.257SS*.Hα-helixtrans-74.3-22.4173.900000113.8I83 L84I83-G86 PolarHBondContact O-N 2.83Å; I83-G86 VanDerWaalsContact O-N 3.09Å; L84-G86 PolarHBondContact O-N 2.89Å
87R97.6Very high97.7Very high70 Ų7045.9 Ų45.926%0.26426%0.257SS..Hα-helixtrans-101-27.4-174-65.9-58.8-61.4-85.9-23114.8F26 E29 I83 L84 M85 P89 D90F26-R87 HydrophobicContact CB-CB 4.41Å; F26-R87 HydrophobicContact CD1-CB 4.47Å; F26-R87 VanDerWaalsContact CD1-NH2 3.31Å; F26-R87 HydrophobicContact CD2-CB 4.11Å; F26-R87 HydrophobicContact CE2-CB 4.47Å; F26-R87 WeakPolarHBondContact CE2-O 3.38Å; F26-R87 HydrophobicContact CG-CB 4.1Å; E29-R87 IonicContact OE1-CZ 2.72Å; E29-R87 IonicContact OE1-NH1 3.38Å; E29-R87 PolarHBondContact OE1-NH1 2.95Å; E29-R87 IonicContact OE2-CZ 3.33Å; E29-R87 IonicContact OE2-NH1 2.65Å; E29-R87 PolarHBondContact OE2-NH1 3.4Å; E29-R87 IonicContact OE2-NH2 2.61Å; E29-R87 PolarHBondContact OE2-NH2 3.26Å; I83-R87 PolarHBondContact O-N 3.09Å; L84-R87 PolarHBondContact O-N 2.85Å; M85-R87 VanDerWaalsContact C-N 3.33Å; R87-P89 VanDerWaalsContact C-CD 3.42Å; R87-P89 VanDerWaalsContact C-N 3.34Å; R87-D90 WeakPolarHBondContact O-CB 3.45Å; R87-D90 PolarHBondContact O-N 3.15Å
88F98.1Very high97.8Very high0 Ų048.2 Ų48.20%027%0.266CS..G310 helixtrans-55-37.4179.6-70.8-29.8000114.9F26 Y27 L84 D90 S91 Y121 L124 K125F26-F88 HydrophobicContact CD2-CD1 4.37Å; Y27-F88 HydrophobicContact CE1-CZ 4.43Å; Y27-F88 HydrophobicContact CE2-CE1 4.36Å; L84-F88 HydrophobicContact CB-CD2 4.42Å; L84-F88 HydrophobicContact CB-CE1 4Å; L84-F88 HydrophobicContact CB-CE2 3.78Å; L84-F88 HydrophobicContact CB-CZ 3.56Å; L84-F88 HydrophobicContact CD1-CZ 4.1Å; L84-F88 HydrophobicContact CD2-CE1 3.85Å; L84-F88 HydrophobicContact CD2-CZ 4.06Å; L84-F88 HydrophobicContact CG-CE1 4.4Å; L84-F88 HydrophobicContact CG-CZ 4.13Å; L84-F88 WeakPolarHBondContact O-CD2 3.45Å; L84-F88 WeakPolarHBondContact O-CG 3.49Å; L84-F88 PolarHBondContact O-N 3.38Å; F88-D90 PolarHBondContact O-N 2.65Å; F88-S91 WeakPolarHBondContact O-CB 3.2Å; F88-S91 PolarHBondContact O-N 2.61Å; F88-S91 VanDerWaalsContact O-N 3.1Å; F88-S91 PolarHBondContact O-OG 2.63Å; F88-S91 VanDerWaalsContact O-OG 3.08Å; F88-Y121 HydrophobicContact CD2-CD1 4.11Å; F88-Y121 HydrophobicContact CD2-CG 4.3Å; F88-Y121 AromaticContact CE2-CD1 3.72Å; F88-Y121 HydrophobicContact CE2-CD1 3.72Å; F88-Y121 HydrophobicContact CE2-CD2 4.25Å; F88-Y121 HydrophobicContact CE2-CE1 4.4Å; F88-Y121 AromaticContact CE2-CG 3.65Å; F88-Y121 HydrophobicContact CE2-CG 3.65Å; F88-L124 HydrophobicContact CB-CB 3.7Å; F88-L124 HydrophobicContact CD2-CB 4.48Å; F88-L124 HydrophobicContact CD2-CD1 4.4Å; F88-K125 HydrophobicContact CB-CG 3.79Å; F88-K125 HydrophobicContact CD1-CD 4.15Å; F88-K125 VanDerWaalsContact CD1-CE 3.41Å; F88-K125 HydrophobicContact CD1-CG 3.62Å; F88-K125 HydrophobicContact CD2-CG 4.37Å; F88-K125 HydrophobicContact CE1-CD 4.3Å; F88-K125 HydrophobicContact CE1-CG 4.26Å; F88-K125 HydrophobicContact CG-CD 4.45Å; F88-K125 HydrophobicContact CG-CG 3.68Å; F88-K125 WeakPolarHBondContact O-CA 3.04Å
89P98Very high97.8Very high39 Ų3946.1 Ų46.125%0.25325%0.254SS..G310 helixtrans-59.5-16.1174.1-25.936.8000114.8R87 L124 K128R87-P89 VanDerWaalsContact C-CD 3.42Å; R87-P89 VanDerWaalsContact C-N 3.34Å; P89-L124 HydrophobicContact CG-CD2 4.37Å; P89-K128 WeakPolarHBondContact O-CD 3.23Å; P89-K128 WeakPolarHBondContact O-CE 3.37Å; P89-K128 PolarHBondContact O-NZ 3.38Å
90D97.8Very high97.9Very high71 Ų7144.1 Ų44.138%0.3825%0.245SC..G310 helixtrans-97.45.3179.5-61.6-40.2000114.1F26 R87 F88 Q92 K128F26-D90 HydrophobicContact CZ-CB 4.25Å; R87-D90 WeakPolarHBondContact O-CB 3.45Å; R87-D90 PolarHBondContact O-N 3.15Å; F88-D90 PolarHBondContact O-N 2.65Å; D90-Q92 PolarHBondContact O-N 2.54Å; D90-Q92 PolarHBondContact O-NE2 3.22Å; D90-K128 IonicContact OD1-NZ 2.91Å; D90-K128 PolarHBondContact OD1-NZ 3.06Å
91S98.2Very high97.9Very high0 Ų044 Ų440%024%0.244CC..PPolyproline II helixtrans-52.8125.3176.5-73.30000111.4T23 F88 K125 H129T23-S91 WeakPolarHBondContact CG2-OG 3.48Å; F88-S91 WeakPolarHBondContact O-CB 3.2Å; F88-S91 PolarHBondContact O-N 2.61Å; F88-S91 VanDerWaalsContact O-N 3.1Å; F88-S91 PolarHBondContact O-OG 2.63Å; F88-S91 VanDerWaalsContact O-OG 3.08Å; S91-K125 WeakPolarHBondContact CB-O 3.29Å; S91-H129 PolarHBondContact O-NE2 3.21Å
92Q98.2Very high98Very high110 Ų11047.2 Ų47.251%0.51426%0.255SS..PPolyproline II helixtrans-100.8151.1177.4-61.9-55.1-55.600110.5L21 N22 D90L21-Q92 CarbonylContact C-O 3.6Å; L21-Q92 VanDerWaalsContact CA-O 3.31Å; L21-Q92 WeakPolarHBondContact CA-O 3.16Å; N22-Q92 PolarHBondContact N-O 2.65Å; D90-Q92 PolarHBondContact O-N 2.54Å; D90-Q92 PolarHBondContact O-NE2 3.22Å
93L98.5Very high98.1Very high44 Ų4444.6 Ų44.623%0.2323%0.23CC..BIsolated β-bridgetrans-65.9142.5173.3-68.6165.9000110.8L20 L21 A97 E98 L132L20-L93 CarbonylContact O-C 3.58Å; L20-L93 VanDerWaalsContact O-CA 3.31Å; L20-L93 WeakPolarHBondContact O-CA 3.08Å; L21-L93 HydrophobicContact CD2-CD2 3.9Å; L21-L93 HydrophobicContact CD2-CG 4.45Å; L93-A97 HydrophobicContact CB-CB 4.49Å; L93-A97 HydrophobicContact CD2-CB 4.36Å; L93-E98 HydrophobicContact CD1-CB 4.15Å; L93-L132 HydrophobicContact CD1-CD2 3.86Å; L93-L132 HydrophobicContact CD2-CD2 3.72Å; L93-L132 HydrophobicContact CG-CD2 4.48Å
94M98.4Very high98.2Very high48 Ų4843.5 Ų43.524%0.23623%0.225CC..PPolyproline II helixtrans-70.3150170-71.7-65.8-75.700110.6L19 L20 N22 G96 A97L19-M94 WeakPolarHBondContact O-CB 3.33Å; L19-M94 WeakPolarHBondContact O-CG 3.48Å; L20-M94 PolarHBondContact O-N 3.25Å; N22-M94 HydrophobicContact CB-CG 4.48Å; N22-M94 HydrophobicContact CB-SD 3.58Å; N22-M94 VanDerWaalsContact CB-SD 3.58Å; M94-G96 PolarHBondContact O-N 3.11Å; M94-A97 VanDerWaalsContact O-CB 3.25Å; M94-A97 WeakPolarHBondContact O-CB 3.22Å; M94-A97 PolarHBondContact O-N 3.36Å
95P98.4Very high98.2Very high76 Ų7647.8 Ų47.849%0.49424%0.244SC..THydrogen-bonded Turntrans-55.3124.5178.8-25.734.5000112.2S217 L218 L219P95-S217 PolarHBondContact O-OG 2.96Å; P95-L218 WeakPolarHBondContact O-CB 3.15Å; P95-L219 HydrophobicContact CB-CD1 3.87Å; P95-L219 HydrophobicContact CB-CG 4.25Å
96G98.5Very high98.3Very high11 Ų1149.3 Ų49.311%0.11325%0.249CC..THydrogen-bonded Turntrans88-9179.300000115.7M94 R99 L100M94-G96 PolarHBondContact O-N 3.11Å; G96-R99 PolarHBondContact O-N 3.49Å; G96-L100 WeakPolarHBondContact O-CB 3.39Å; G96-L100 PolarHBondContact O-N 3.09Å
97A98.7Very high98.4Very high1 Ų149.5 Ų49.51%0.00824%0.235CC..Hα-helixtrans-57.1-57.1-179.900000112.3L20 L93 M94 R99 L100 I101 L218L20-A97 HydrophobicContact CD2-CB 3.91Å; L93-A97 HydrophobicContact CB-CB 4.49Å; L93-A97 HydrophobicContact CD2-CB 4.36Å; M94-A97 VanDerWaalsContact O-CB 3.25Å; M94-A97 WeakPolarHBondContact O-CB 3.22Å; M94-A97 PolarHBondContact O-N 3.36Å; A97-R99 VanDerWaalsContact C-N 3.35Å; A97-R99 PolarHBondContact O-N 3.39Å; A97-L100 PolarHBondContact O-N 3.27Å; A97-I101 WeakPolarHBondContact O-CD1 3.12Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.42Å; A97-I101 PolarHBondContact O-N 2.9Å; A97-L218 HydrophobicContact CB-CD1 3.96Å
98E98.7Very high98.4Very high84 Ų8452.9 Ų52.939%0.39326%0.258SS..Hα-helixtrans-60.1-44.3179.2178.8167.4-163.200112.4L93 L100 I101 R102 L132L93-E98 HydrophobicContact CD1-CB 4.15Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.83Å; E98-I101 PolarHBondContact O-N 3.01Å; E98-R102 HydrophobicContact CG-CG 4.19Å; E98-R102 WeakPolarHBondContact O-CB 3.32Å; E98-R102 WeakPolarHBondContact O-CG 3.49Å; E98-R102 PolarHBondContact O-N 2.88Å; E98-R102 IonicContact OE1-CZ 3.27Å; E98-R102 VanDerWaalsContact OE1-CZ 3.27Å; E98-R102 IonicContact OE1-NE 2.75Å; E98-R102 PolarHBondContact OE1-NE 3.02Å; E98-R102 IonicContact OE1-NH2 2.92Å; E98-R102 PolarHBondContact OE1-NH2 3.42Å; E98-L132 HydrophobicContact CB-CD1 4.46Å; E98-L132 HydrophobicContact CB-CD2 4.07Å; E98-L132 HydrophobicContact CG-CD1 4.06Å; E98-L132 HydrophobicContact CG-CD2 4.39Å
99R98.7Very high98.4Very high111 Ų11154.1 Ų54.142%0.41926%0.264SS..Hα-helixtrans-56.8-47.9178.7-173.4-177.973.6174.49.1111G96 A97 H103 L219 F231G96-R99 PolarHBondContact O-N 3.49Å; A97-R99 VanDerWaalsContact C-N 3.35Å; A97-R99 PolarHBondContact O-N 3.39Å; R99-H103 WeakPolarHBondContact O-CB 3.24Å; R99-H103 PolarHBondContact O-N 3.18Å; R99-L219 VanDerWaalsContact NH2-C 3.34Å; R99-L219 PolarHBondContact NH2-O 3.48Å; R99-F231 HydrophobicContact CG-CE1 4.17Å
100L98.8Very high98.4Very high1 Ų154.5 Ų54.51%0.00527%0.267CS..Hα-helixtrans-66.8-48.3-179.4177.456.9000111.7F14 G96 A97 E98 H103 L104 F178 L218 F221 F231F14-L100 HydrophobicContact CE1-CD2 3.68Å; F14-L100 HydrophobicContact CE1-CG 4.28Å; F14-L100 HydrophobicContact CZ-CD2 3.92Å; F14-L100 HydrophobicContact CZ-CG 4.07Å; G96-L100 WeakPolarHBondContact O-CB 3.39Å; G96-L100 PolarHBondContact O-N 3.09Å; A97-L100 PolarHBondContact O-N 3.27Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.83Å; L100-H103 WeakPolarHBondContact O-CB 3.18Å; L100-H103 PolarHBondContact O-N 3.11Å; L100-L104 HydrophobicContact CD1-CD1 3.88Å; L100-L104 HydrophobicContact CD1-CD2 4.39Å; L100-L104 HydrophobicContact CD1-CG 3.92Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 HydrophobicContact CG-CG 4.49Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 2.85Å; L100-F178 HydrophobicContact CD2-CD1 4.35Å; L100-F178 HydrophobicContact CD2-CE1 3.81Å; L100-F178 HydrophobicContact CD2-CE2 4.28Å; L100-F178 HydrophobicContact CD2-CZ 3.76Å; L100-L218 HydrophobicContact CD2-CD2 3.97Å; L100-F221 HydrophobicContact CD1-CD1 3.71Å; L100-F221 HydrophobicContact CD1-CE1 3.96Å; L100-F221 HydrophobicContact CD2-CD1 4.3Å; L100-F231 HydrophobicContact CB-CZ 4.41Å; L100-F231 HydrophobicContact CD1-CE1 4.49Å; L100-F231 HydrophobicContact CD1-CZ 3.9Å
101I98.8Very high98.5Very high0 Ų051.4 Ų51.40%025%0.25CS..Hα-helixtrans-61.2-49.5-178.5-67.1161.1000110.7L20 A97 E98 H103 L104 H105 M111 L132 L135 F136L20-I101 HydrophobicContact CD1-CD1 4.19Å; L20-I101 HydrophobicContact CD2-CD1 3.93Å; A97-I101 WeakPolarHBondContact O-CD1 3.12Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.42Å; A97-I101 PolarHBondContact O-N 2.9Å; E98-I101 PolarHBondContact O-N 3.01Å; I101-H103 VanDerWaalsContact C-N 3.3Å; I101-H103 PolarHBondContact O-N 3.01Å; I101-L104 PolarHBondContact O-N 3.15Å; I101-H105 WeakPolarHBondContact O-CB 3.24Å; I101-H105 PolarHBondContact O-N 3.36Å; I101-M111 HydrophobicContact CB-SD 4.47Å; I101-M111 HydrophobicContact CG2-CE 3.84Å; I101-M111 HydrophobicContact CG2-SD 4.09Å; I101-M111 WeakPolarHBondContact O-CE 3.48Å; I101-L132 HydrophobicContact CB-CD1 3.9Å; I101-L132 HydrophobicContact CB-CG 4.42Å; I101-L132 HydrophobicContact CD1-CD1 4.31Å; I101-L132 HydrophobicContact CD1-CD2 3.8Å; I101-L132 HydrophobicContact CD1-CG 3.95Å; I101-L132 HydrophobicContact CG2-CD1 3.61Å; I101-L132 HydrophobicContact CG2-CG 4.07Å; I101-L135 HydrophobicContact CG2-CB 4.34Å; I101-L135 HydrophobicContact CG2-CD1 4.01Å; I101-F136 HydrophobicContact CD1-CE2 4.11Å; I101-F136 HydrophobicContact CD1-CZ 3.54Å; I101-F136 HydrophobicContact CG1-CE1 4.37Å; I101-F136 HydrophobicContact CG1-CZ 3.78Å; I101-F136 HydrophobicContact CG2-CZ 4.22Å
102R98.6Very high98.5Very high89 Ų8951.4 Ų51.434%0.33625%0.25SS..Hα-helixtrans-64.9-35.3179.6-68.7-171.7-175.4-83.66.5112.2E98 K106 E131 L132E98-R102 HydrophobicContact CG-CG 4.19Å; E98-R102 WeakPolarHBondContact O-CB 3.32Å; E98-R102 WeakPolarHBondContact O-CG 3.49Å; E98-R102 PolarHBondContact O-N 2.88Å; E98-R102 IonicContact OE1-CZ 3.27Å; E98-R102 VanDerWaalsContact OE1-CZ 3.27Å; E98-R102 IonicContact OE1-NE 2.75Å; E98-R102 PolarHBondContact OE1-NE 3.02Å; E98-R102 IonicContact OE1-NH2 2.92Å; E98-R102 PolarHBondContact OE1-NH2 3.42Å; R102-K106 VanDerWaalsContact O-CB 3.25Å; R102-K106 WeakPolarHBondContact O-CB 3.31Å; R102-K106 PolarHBondContact O-N 2.91Å; R102-E131 IonicContact CZ-OE1 3.29Å; R102-E131 VanDerWaalsContact CZ-OE1 3.29Å; R102-E131 IonicContact NH1-OE1 2.8Å; R102-E131 PolarHBondContact NH1-OE1 3.11Å; R102-E131 IonicContact NH2-OE1 2.86Å; R102-E131 PolarHBondContact NH2-OE1 2.96Å; R102-E131 IonicContact NH2-OE2 3.86Å; R102-L132 HydrophobicContact CG-CD1 3.92Å
103H98.8Very high98.5Very high15 Ų1546.1 Ų46.17%0.06923%0.226CC..Hα-helixtrans-62.7-52.3174.6178.172.1000111.8R99 L100 I101 H105 K106 H107 P229 P230 F231R99-H103 WeakPolarHBondContact O-CB 3.24Å; R99-H103 PolarHBondContact O-N 3.18Å; L100-H103 WeakPolarHBondContact O-CB 3.18Å; L100-H103 PolarHBondContact O-N 3.11Å; I101-H103 VanDerWaalsContact C-N 3.3Å; I101-H103 PolarHBondContact O-N 3.01Å; H103-H105 VanDerWaalsContact C-N 3.33Å; H103-H105 PolarHBondContact O-N 3.16Å; H103-K106 PolarHBondContact O-N 2.63Å; H103-H107 AromaticContact CE1-CD2 3.35Å; H103-H107 PolarHBondContact CE1-CD2 3.43Å; H103-H107 AromaticContact CE1-NE2 3.45Å; H103-H107 PolarHBondContact CE1-NE2 3.22Å; H103-H107 AromaticContact ND1-CD2 3.66Å; H103-H107 AromaticContact ND1-NE2 3.88Å; H103-H107 AromaticContact NE2-CD2 3.82Å; H103-H107 PolarHBondContact O-CD2 3.29Å; H103-H107 VanDerWaalsContact O-CD2 3.25Å; H103-H107 PolarHBondContact O-N 2.76Å; H103-H107 VanDerWaalsContact O-N 3.16Å; H103-P229 PolarHBondContact CE1-O 3.09Å; H103-P229 PolarHBondContact NE2-O 2.98Å; H103-P230 PolarHBondContact CE1-O 2.79Å; H103-F231 HydrophobicContact CB-CD1 3.9Å; H103-F231 HydrophobicContact CB-CE1 3.55Å; H103-F231 AromaticContact CD2-CD1 3.78Å; H103-F231 AromaticContact CD2-CE1 3.69Å; H103-F231 AromaticContact CG-CD1 3.49Å; H103-F231 VanDerWaalsContact CG-CD1 3.49Å; H103-F231 AromaticContact CG-CE1 3.51Å; H103-F231 AromaticContact ND1-CD1 3.68Å
104L98.7Very high98.6Very high0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-59.8-43.8178.1-67.9177000111.6V12 F14 L100 I101 H107 N108 I109 M111 L228V12-L104 HydrophobicContact CB-CD1 4.15Å; V12-L104 HydrophobicContact CG1-CD1 4.16Å; V12-L104 HydrophobicContact CG2-CD1 3.92Å; V12-L104 HydrophobicContact CG2-CD2 4.42Å; F14-L104 HydrophobicContact CE2-CD1 3.92Å; F14-L104 HydrophobicContact CZ-CD1 3.66Å; L100-L104 HydrophobicContact CD1-CD1 3.88Å; L100-L104 HydrophobicContact CD1-CD2 4.39Å; L100-L104 HydrophobicContact CD1-CG 3.92Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 HydrophobicContact CG-CG 4.49Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 2.85Å; I101-L104 PolarHBondContact O-N 3.15Å; L104-H107 CarbonylContact O-C 3.53Å; L104-H107 PolarHBondContact O-N 2.8Å; L104-N108 PolarHBondContact O-N 3.07Å; L104-I109 HydrophobicContact CB-CB 4.11Å; L104-I109 HydrophobicContact CD2-CB 4.17Å; L104-I109 HydrophobicContact CD2-CG1 4.09Å; L104-I109 HydrophobicContact CD2-CG2 4.2Å; L104-I109 WeakPolarHBondContact O-CB 3.47Å; L104-I109 PolarHBondContact O-N 2.78Å; L104-M111 HydrophobicContact CB-CE 4.49Å; L104-M111 HydrophobicContact CB-CG 4.13Å; L104-M111 HydrophobicContact CB-SD 3.52Å; L104-M111 VanDerWaalsContact CB-SD 3.52Å; L104-M111 HydrophobicContact CD1-CG 4.26Å; L104-M111 HydrophobicContact CD1-SD 3.87Å; L104-M111 HydrophobicContact CG-SD 4.35Å; L104-L228 HydrophobicContact CD2-CD1 3.96Å
105H98.5Very high98.5Very high90 Ų9041.8 Ų41.842%0.41720%0.203SC..Hα-helixtrans-60.9-47.3175.7-176.9-97.2000112.6I101 H103 H107 N108 M111 L135I101-H105 WeakPolarHBondContact O-CB 3.24Å; I101-H105 PolarHBondContact O-N 3.36Å; H103-H105 VanDerWaalsContact C-N 3.33Å; H103-H105 PolarHBondContact O-N 3.16Å; H105-H107 PolarHBondContact O-N 3.26Å; H105-H107 VanDerWaalsContact O-N 3.13Å; H105-N108 PolarHBondContact O-N 3.25Å; H105-M111 HydrophobicContact CB-CE 3.72Å; H105-L135 HydrophobicContact CB-CD1 4.09Å
106K98.4Very high98.4Very high120 Ų12040.7 Ų40.752%0.52220%0.201SC..Hα-helixtrans-55.2-31.7176.5176.5-176.7174.1-175.30112.1R102 H103R102-K106 VanDerWaalsContact O-CB 3.25Å; R102-K106 WeakPolarHBondContact O-CB 3.31Å; R102-K106 PolarHBondContact O-N 2.91Å; H103-K106 PolarHBondContact O-N 2.63Å
107H98.5Very high98.3Very high60 Ų6040.6 Ų40.628%0.27820%0.198SC..THydrogen-bonded Turntrans-95.112.5179-74.8-74.9000114.2H103 L104 H105 I109 P229H103-H107 AromaticContact CE1-CD2 3.35Å; H103-H107 PolarHBondContact CE1-CD2 3.43Å; H103-H107 AromaticContact CE1-NE2 3.45Å; H103-H107 PolarHBondContact CE1-NE2 3.22Å; H103-H107 AromaticContact ND1-CD2 3.66Å; H103-H107 AromaticContact ND1-NE2 3.88Å; H103-H107 AromaticContact NE2-CD2 3.82Å; H103-H107 PolarHBondContact O-CD2 3.29Å; H103-H107 VanDerWaalsContact O-CD2 3.25Å; H103-H107 PolarHBondContact O-N 2.76Å; H103-H107 VanDerWaalsContact O-N 3.16Å; L104-H107 CarbonylContact O-C 3.53Å; L104-H107 PolarHBondContact O-N 2.8Å; H105-H107 PolarHBondContact O-N 3.26Å; H105-H107 VanDerWaalsContact O-N 3.13Å; H107-I109 HydrophobicContact CB-CG1 4.19Å; H107-I109 PolarHBondContact O-N 2.98Å; H107-P229 HydrophobicContact CB-CB 4.39Å; H107-P229 HydrophobicContact CB-CG 3.92Å
108N97.8Very high98.2Very high141 Ų14145 Ų4575%0.75422%0.217SC*.THydrogen-bonded Turntrans55.930.7-180-54.3-64.3000113.7L104 H105 P110L104-N108 PolarHBondContact O-N 3.07Å; H105-N108 PolarHBondContact O-N 3.25Å; N108-P110 WeakPolarHBondContact O-CD 3Å
109I98.3Very high98.1Very high25 Ų2544.8 Ų44.813%0.12822%0.216CC..  trans-78.9119.2173-53.5-57.2000107.8V12 L104 H107 M111 L228V12-I109 HydrophobicContact CG2-CG2 3.94Å; L104-I109 HydrophobicContact CB-CB 4.11Å; L104-I109 HydrophobicContact CD2-CB 4.17Å; L104-I109 HydrophobicContact CD2-CG1 4.09Å; L104-I109 HydrophobicContact CD2-CG2 4.2Å; L104-I109 WeakPolarHBondContact O-CB 3.47Å; L104-I109 PolarHBondContact O-N 2.78Å; H107-I109 HydrophobicContact CB-CG1 4.19Å; H107-I109 PolarHBondContact O-N 2.98Å; I109-M111 WeakPolarHBondContact O-CG 3.28Å; I109-M111 PolarHBondContact O-N 2.78Å; I109-L228 HydrophobicContact CD1-CD2 3.83Å; I109-L228 HydrophobicContact CG1-CD2 4.09Å; I109-L228 HydrophobicContact CG2-CD2 4.03Å
110P98.4Very high98Very high48 Ų4844.6 Ų44.631%0.31222%0.219SC..  trans-62.2131.6177.6-23.234.9000111.4T10 V12 N108 F165T10-P110 WeakPolarHBondContact O-CD 3.26Å; V12-P110 PolarHBondContact N-O 2.92Å; N108-P110 WeakPolarHBondContact O-CD 3Å; P110-F165 HydrophobicContact CB-CD1 3.86Å; P110-F165 HydrophobicContact CB-CE1 3.83Å
111M98.7Very high98Very high5 Ų545.1 Ų45.13%0.02522%0.221CC..EExtended strand (participates in β ladder)trans-122.8129-177.9-62.6-177.9-67.600111.3V12 F14 I101 L104 H105 I109 L135 F136 N137 F165V12-M111 CarbonylContact O-C 3.55Å; V12-M111 VanDerWaalsContact O-CA 3.27Å; V12-M111 WeakPolarHBondContact O-CA 3.44Å; F14-M111 HydrophobicContact CE2-CG 4.26Å; F14-M111 HydrophobicContact CE2-SD 4.09Å; I101-M111 HydrophobicContact CB-SD 4.47Å; I101-M111 HydrophobicContact CG2-CE 3.84Å; I101-M111 HydrophobicContact CG2-SD 4.09Å; I101-M111 WeakPolarHBondContact O-CE 3.48Å; L104-M111 HydrophobicContact CB-CE 4.49Å; L104-M111 HydrophobicContact CB-CG 4.13Å; L104-M111 HydrophobicContact CB-SD 3.52Å; L104-M111 VanDerWaalsContact CB-SD 3.52Å; L104-M111 HydrophobicContact CD1-CG 4.26Å; L104-M111 HydrophobicContact CD1-SD 3.87Å; L104-M111 HydrophobicContact CG-SD 4.35Å; H105-M111 HydrophobicContact CB-CE 3.72Å; I109-M111 WeakPolarHBondContact O-CG 3.28Å; I109-M111 PolarHBondContact O-N 2.78Å; M111-L135 HydrophobicContact CE-CB 3.98Å; M111-F136 HydrophobicContact CB-CD1 3.76Å; M111-F136 HydrophobicContact CB-CE1 4.1Å; M111-F136 WeakPolarHBondContact O-CA 3.45Å; M111-F136 HydrophobicContact SD-CE1 4.46Å; M111-N137 CarbonylContact O-C 3.48Å; M111-N137 PolarHBondContact O-N 3.42Å; M111-F165 VanDerWaalsContact C-CE1 3.44Å
112G98.7Very high97.9Very high0 Ų045.9 Ų45.90%022%0.224CC..EExtended strand (participates in β ladder)trans-112.3162.3171.800000110.9V12 I13 F14 P138 F165V12-G112 PolarHBondContact O-N 2.91Å; I13-G112 CarbonylContact C-O 3.59Å; I13-G112 WeakPolarHBondContact CA-O 3.35Å; F14-G112 PolarHBondContact N-O 3.35Å; G112-P138 CarbonylContact C-O 3.54Å; G112-P138 WeakPolarHBondContact CA-O 3.38Å; G112-F165 VanDerWaalsContact N-CZ 3.27Å
113L98.9Very high97.9Very high0 Ų047.3 Ų47.30%023%0.233CC..EExtended strand (participates in β ladder)trans-127.8134.4172.2-171.8150.4000109.6F14 N16 L20 T115 F122 Y133 F136 P138 I139 V140F14-L113 CarbonylContact O-C 3.47Å; F14-L113 WeakPolarHBondContact O-CA 3.2Å; N16-L113 HydrophobicContact CB-CD1 4.33Å; N16-L113 HydrophobicContact CB-CD2 4.22Å; L20-L113 HydrophobicContact CD1-CD1 4.11Å; L113-T115 HydrophobicContact CD2-CG2 3.89Å; L113-F122 HydrophobicContact CD1-CE2 4.02Å; L113-F122 HydrophobicContact CD1-CZ 4.38Å; L113-F122 HydrophobicContact CD2-CD2 4.43Å; L113-F122 HydrophobicContact CD2-CE2 3.68Å; L113-F122 HydrophobicContact CD2-CZ 4.22Å; L113-Y133 HydrophobicContact CD1-CD1 3.85Å; L113-Y133 HydrophobicContact CD1-CE1 3.44Å; L113-Y133 VanDerWaalsContact CD1-CE1 3.44Å; L113-F136 HydrophobicContact CB-CB 4.29Å; L113-F136 HydrophobicContact CB-CD1 4.2Å; L113-F136 HydrophobicContact CB-CD2 4.45Å; L113-F136 HydrophobicContact CB-CG 4.07Å; L113-F136 HydrophobicContact CD1-CD2 4.04Å; L113-F136 HydrophobicContact CD1-CE2 4.02Å; L113-F136 HydrophobicContact CD1-CG 4.46Å; L113-F136 HydrophobicContact CD1-CZ 4.4Å; L113-P138 PolarHBondContact N-O 3.02Å; L113-I139 HydrophobicContact CB-CG1 4.28Å; L113-I139 HydrophobicContact CD2-CG2 4.19Å; L113-I139 CarbonylContact O-C 3.51Å; L113-V140 PolarHBondContact O-N 2.97Å
114C98.7Very high97.9Very high0 Ų049.2 Ų49.20%024%0.243CC..EExtended strand (participates in β ladder)trans-135.1103.3179.9-170.60000110.9I13 F14 V140 K152 Y158 C161I13-C114 HydrophobicContact CG2-CB 3.85Å; F14-C114 PolarHBondContact O-N 3.13Å; C114-V140 WeakPolarHBondContact CA-O 3.36Å; C114-K152 PolarHBondContact O-NZ 3.39Å; C114-Y158 HydrophobicContact CB-CD1 4.09Å; C114-Y158 HydrophobicContact CB-CE1 3.77Å; C114-C161 HydrophobicContact CB-CB 4.12Å
115T98.2Very high97.9Very high0 Ų049.2 Ų49.20%024%0.243CC..EExtended strand (participates in β ladder)trans-115.7145.1-174.9179.40000112.4D17 L113 S117 F122 V140 C141 I142D17-T115 PolarHBondContact OD2-OG1 2.92Å; L113-T115 HydrophobicContact CD2-CG2 3.89Å; T115-S117 WeakPolarHBondContact OG1-CB 3.48Å; T115-S117 PolarHBondContact OG1-N 3.4Å; T115-F122 HydrophobicContact CG2-CD2 3.97Å; T115-F122 HydrophobicContact CG2-CG 4.5Å; T115-V140 PolarHBondContact N-O 3.02Å; T115-C141 HydrophobicContact CG2-CB 4.44Å; T115-I142 VanDerWaalsContact O-CG1 3.29Å; T115-I142 WeakPolarHBondContact O-CG1 3.49Å; T115-I142 PolarHBondContact O-N 3.29Å
116A96.2Very high97.9Very high53 Ų5345 Ų4544%0.43822%0.224SC..SBendtrans-77.7-7.1169.200000113.2I142 P143A116-I142 HydrophobicContact CB-CD1 4.36Å; A116-P143 VanDerWaalsContact O-CG 3.28Å; A116-P143 WeakPolarHBondContact O-CG 3.22Å
117S95.7Very high97.9Very high9 Ų942 Ų426%0.06322%0.217CC..SBendtrans-67143.2177.4-79.80000112.3D17 T115 K125 P143D17-S117 PolarHBondContact OD2-OG 2.86Å; T115-S117 WeakPolarHBondContact OG1-CB 3.48Å; T115-S117 PolarHBondContact OG1-N 3.4Å; S117-K125 PolarHBondContact OG-NZ 3.33Å; S117-P143 WeakPolarHBondContact O-CD 3.32Å
118K95.7Very high97.8Very high93 Ų9344.7 Ų44.740%0.40423%0.229SC..  trans-62.2141.7164.2-63.6176.2-176.6171.10108.8K120 Y121 F122 P143K118-K120 HydrophobicContact CB-CG 4.26Å; K118-K120 PolarHBondContact O-N 2.9Å; K118-K120 VanDerWaalsContact O-N 3.12Å; K118-Y121 HydrophobicContact CB-CD2 4.06Å; K118-Y121 HydrophobicContact CB-CE2 4.46Å; K118-Y121 HydrophobicContact CD-CD2 4.44Å; K118-Y121 HydrophobicContact CD-CE2 4.01Å; K118-Y121 HydrophobicContact CG-CD2 4.49Å; K118-Y121 WeakPolarHBondContact O-CA 3.29Å; K118-Y121 WeakPolarHBondContact O-CB 3.42Å; K118-Y121 PolarHBondContact O-N 3.42Å; K118-F122 PolarHBondContact O-N 3.44Å; K118-P143 HydrophobicContact CG-CB 4.11Å; K118-P143 HydrophobicContact CG-CG 4.16Å
119E97.4Very high97.9Very high80 Ų8039.2 Ų39.237%0.37420%0.198SC..Hα-helixtrans-51.6-40.3-178-173-170.9175.800113.1Y121 F122 K123 C141 Q144E119-Y121 VanDerWaalsContact C-N 3.29Å; E119-Y121 PolarHBondContact O-N 2.95Å; E119-F122 WeakPolarHBondContact O-CB 3.39Å; E119-F122 PolarHBondContact O-N 2.98Å; E119-K123 HydrophobicContact CG-CD 4.37Å; E119-K123 WeakPolarHBondContact O-CG 3.28Å; E119-K123 PolarHBondContact O-N 3.48Å; E119-K123 WeakPolarHBondContact OE1-CE 3.49Å; E119-K123 IonicContact OE1-NZ 2.67Å; E119-K123 PolarHBondContact OE1-NZ 3.4Å; E119-C141 HydrophobicContact CB-CB 4.36Å; E119-Q144 HydrophobicContact CB-CG 3.9Å
120K97Very high97.9Very high108 Ų10842.3 Ų42.347%0.4721%0.212SC..Hα-helixtrans-59.4-37.5176.162.4167.5-177.6158.40113.3K118 L124K118-K120 HydrophobicContact CB-CG 4.26Å; K118-K120 PolarHBondContact O-N 2.9Å; K118-K120 VanDerWaalsContact O-N 3.12Å; K120-L124 WeakPolarHBondContact O-CG 3.22Å; K120-L124 PolarHBondContact O-N 3.16Å
121Y97.6Very high97.8Very high12 Ų1246 Ų465%0.04723%0.225CC..Hα-helixtrans-77.3-40.2178.3-60-27.6000110.4D81 M85 F88 K118 E119 K123 L124 K125D81-Y121 PolarHBondContact OD2-OH 3.39Å; M85-Y121 HydrophobicContact CG-CD1 4.43Å; M85-Y121 HydrophobicContact CG-CE1 3.89Å; M85-Y121 HydrophobicContact SD-CE1 4.21Å; F88-Y121 HydrophobicContact CD2-CD1 4.11Å; F88-Y121 HydrophobicContact CD2-CG 4.3Å; F88-Y121 AromaticContact CE2-CD1 3.72Å; F88-Y121 HydrophobicContact CE2-CD1 3.72Å; F88-Y121 HydrophobicContact CE2-CD2 4.25Å; F88-Y121 HydrophobicContact CE2-CE1 4.4Å; F88-Y121 AromaticContact CE2-CG 3.65Å; F88-Y121 HydrophobicContact CE2-CG 3.65Å; K118-Y121 HydrophobicContact CB-CD2 4.06Å; K118-Y121 HydrophobicContact CB-CE2 4.46Å; K118-Y121 HydrophobicContact CD-CD2 4.44Å; K118-Y121 HydrophobicContact CD-CE2 4.01Å; K118-Y121 HydrophobicContact CG-CD2 4.49Å; K118-Y121 WeakPolarHBondContact O-CA 3.29Å; K118-Y121 WeakPolarHBondContact O-CB 3.42Å; K118-Y121 PolarHBondContact O-N 3.42Å; E119-Y121 VanDerWaalsContact C-N 3.29Å; E119-Y121 PolarHBondContact O-N 2.95Å; Y121-K123 VanDerWaalsContact C-N 3.32Å; Y121-K123 PolarHBondContact O-N 2.97Å; Y121-L124 PolarHBondContact O-N 2.94Å; Y121-K125 WeakPolarHBondContact O-CB 3.42Å; Y121-K125 WeakPolarHBondContact O-CD 3.24Å; Y121-K125 WeakPolarHBondContact O-CG 3.42Å; Y121-K125 PolarHBondContact O-N 3Å
122F98.3Very high97.8Very high15 Ų1546 Ų467%0.06623%0.225CC..Hα-helixtrans-55.6-45.8172.7175.6-100000112L113 T115 K118 E119 L124 K125 T126 Y133 I139L113-F122 HydrophobicContact CD1-CE2 4.02Å; L113-F122 HydrophobicContact CD1-CZ 4.38Å; L113-F122 HydrophobicContact CD2-CD2 4.43Å; L113-F122 HydrophobicContact CD2-CE2 3.68Å; L113-F122 HydrophobicContact CD2-CZ 4.22Å; T115-F122 HydrophobicContact CG2-CD2 3.97Å; T115-F122 HydrophobicContact CG2-CG 4.5Å; K118-F122 PolarHBondContact O-N 3.44Å; E119-F122 WeakPolarHBondContact O-CB 3.39Å; E119-F122 PolarHBondContact O-N 2.98Å; F122-L124 PolarHBondContact O-N 2.92Å; F122-K125 PolarHBondContact O-N 3.35Å; F122-T126 HydrophobicContact CD2-CG2 3.99Å; F122-T126 HydrophobicContact CE1-CG2 4.33Å; F122-T126 HydrophobicContact CE2-CG2 3.66Å; F122-T126 HydrophobicContact CG-CG2 4.48Å; F122-T126 HydrophobicContact CZ-CG2 3.85Å; F122-T126 WeakPolarHBondContact O-CB 3.49Å; F122-T126 VanDerWaalsContact O-CG2 3.3Å; F122-T126 WeakPolarHBondContact O-CG2 3.45Å; F122-T126 PolarHBondContact O-N 3.42Å; F122-T126 PolarHBondContact O-OG1 3.15Å; F122-Y133 HydrophobicContact CE2-CD1 4.03Å; F122-Y133 AromaticContact CE2-CE1 3.83Å; F122-Y133 HydrophobicContact CE2-CE1 3.83Å; F122-Y133 AromaticContact CZ-CD1 3.72Å; F122-Y133 HydrophobicContact CZ-CD1 3.72Å; F122-Y133 HydrophobicContact CZ-CE1 4.03Å; F122-I139 HydrophobicContact CE1-CD1 4.41Å; F122-I139 HydrophobicContact CE1-CG2 3.86Å; F122-I139 HydrophobicContact CZ-CD1 4.21Å; F122-I139 HydrophobicContact CZ-CG2 3.78Å
123K98.3Very high97.8Very high119 Ų11946.3 Ų46.352%0.51723%0.226SC..Hα-helixtrans-61.6-41176.6-74.2177.5-179.4169.20112.9E119 Y121 S127E119-K123 HydrophobicContact CG-CD 4.37Å; E119-K123 WeakPolarHBondContact O-CG 3.28Å; E119-K123 PolarHBondContact O-N 3.48Å; E119-K123 WeakPolarHBondContact OE1-CE 3.49Å; E119-K123 IonicContact OE1-NZ 2.67Å; E119-K123 PolarHBondContact OE1-NZ 3.4Å; Y121-K123 VanDerWaalsContact C-N 3.32Å; Y121-K123 PolarHBondContact O-N 2.97Å; K123-S127 PolarHBondContact O-N 2.89Å
124L98.3Very high97.8Very high55 Ų5553.4 Ų53.429%0.28826%0.26SS..Hα-helixtrans-65-48.2176.3-69.9171.3000111.4M85 F88 P89 K120 Y121 F122 T126 S127M85-L124 HydrophobicContact CG-CD1 4.38Å; F88-L124 HydrophobicContact CB-CB 3.7Å; F88-L124 HydrophobicContact CD2-CB 4.48Å; F88-L124 HydrophobicContact CD2-CD1 4.4Å; P89-L124 HydrophobicContact CG-CD2 4.37Å; K120-L124 WeakPolarHBondContact O-CG 3.22Å; K120-L124 PolarHBondContact O-N 3.16Å; Y121-L124 PolarHBondContact O-N 2.94Å; F122-L124 PolarHBondContact O-N 2.92Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.4Å; L124-S127 WeakPolarHBondContact O-CB 3.43Å; L124-S127 PolarHBondContact O-N 3.38Å; L124-S127 PolarHBondContact O-OG 2.9Å
125K98.5Very high97.8Very high1 Ų155.3 Ų55.30%0.00427%0.27CS..Hα-helixtrans-60.3-36.6-179.7-69.7168.3179.3-174.10113D17 L21 T23 Y27 F88 S91 S117 Y121 F122D17-K125 VanDerWaalsContact CG-NZ 3.27Å; D17-K125 VanDerWaalsContact OD1-CD 3.24Å; D17-K125 WeakPolarHBondContact OD1-CD 3.45Å; D17-K125 WeakPolarHBondContact OD1-CE 3.18Å; D17-K125 IonicContact OD1-NZ 3.72Å; D17-K125 PolarHBondContact OD1-NZ 3.25Å; D17-K125 IonicContact OD2-NZ 2.74Å; D17-K125 PolarHBondContact OD2-NZ 2.8Å; L21-K125 HydrophobicContact CD1-CB 3.73Å; L21-K125 WeakPolarHBondContact CD1-O 3.33Å; T23-K125 HydrophobicContact CG2-CD 4.09Å; T23-K125 HydrophobicContact CG2-CG 4.25Å; Y27-K125 PolarHBondContact OH-NZ 3.49Å; F88-K125 HydrophobicContact CB-CG 3.79Å; F88-K125 HydrophobicContact CD1-CD 4.15Å; F88-K125 VanDerWaalsContact CD1-CE 3.41Å; F88-K125 HydrophobicContact CD1-CG 3.62Å; F88-K125 HydrophobicContact CD2-CG 4.37Å; F88-K125 HydrophobicContact CE1-CD 4.3Å; F88-K125 HydrophobicContact CE1-CG 4.26Å; F88-K125 HydrophobicContact CG-CD 4.45Å; F88-K125 HydrophobicContact CG-CG 3.68Å; F88-K125 WeakPolarHBondContact O-CA 3.04Å; S91-K125 WeakPolarHBondContact CB-O 3.29Å; S117-K125 PolarHBondContact OG-NZ 3.33Å; Y121-K125 WeakPolarHBondContact O-CB 3.42Å; Y121-K125 WeakPolarHBondContact O-CD 3.24Å; Y121-K125 WeakPolarHBondContact O-CG 3.42Å; Y121-K125 PolarHBondContact O-N 3Å; F122-K125 PolarHBondContact O-N 3.35Å
126T98.4Very high97.8Very high2 Ų255.8 Ų55.81%0.01227%0.272CS..THydrogen-bonded Turntrans-93.9-0.5-176.559.80000113.5L21 F122 L124 K128 H129 Q130 Y133L21-T126 HydrophobicContact CD1-CG2 4.18Å; F122-T126 HydrophobicContact CD2-CG2 3.99Å; F122-T126 HydrophobicContact CE1-CG2 4.33Å; F122-T126 HydrophobicContact CE2-CG2 3.66Å; F122-T126 HydrophobicContact CG-CG2 4.48Å; F122-T126 HydrophobicContact CZ-CG2 3.85Å; F122-T126 WeakPolarHBondContact O-CB 3.49Å; F122-T126 VanDerWaalsContact O-CG2 3.3Å; F122-T126 WeakPolarHBondContact O-CG2 3.45Å; F122-T126 PolarHBondContact O-N 3.42Å; F122-T126 PolarHBondContact O-OG1 3.15Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.4Å; T126-K128 VanDerWaalsContact C-N 3.25Å; T126-K128 PolarHBondContact O-N 3.3Å; T126-K128 VanDerWaalsContact O-N 3.11Å; T126-H129 CarbonylContact O-C 3.59Å; T126-H129 PolarHBondContact O-N 2.93Å; T126-Q130 VanDerWaalsContact C-NE2 3.29Å; T126-Q130 PolarHBondContact O-N 2.57Å; T126-Q130 PolarHBondContact O-NE2 2.73Å; T126-Q130 PolarHBondContact OG1-NE2 2.7Å; T126-Y133 HydrophobicContact CG2-CD1 3.58Å; T126-Y133 HydrophobicContact CG2-CD2 4.04Å; T126-Y133 HydrophobicContact CG2-CE1 3.34Å; T126-Y133 HydrophobicContact CG2-CE2 3.85Å; T126-Y133 HydrophobicContact CG2-CG 3.91Å; T126-Y133 VanDerWaalsContact CG2-CZ 3.5Å
127S98.1Very high97.9Very high55 Ų5558 Ų5839%0.38528%0.277SS..THydrogen-bonded Turntrans-55.2-34.1-171.257.90000114.6K123 L124K123-S127 PolarHBondContact O-N 2.89Å; L124-S127 WeakPolarHBondContact O-CB 3.43Å; L124-S127 PolarHBondContact O-N 3.38Å; L124-S127 PolarHBondContact O-OG 2.9Å
128K97.9Very high98Very high118 Ų11858 Ų5851%0.51328%0.276SS..THydrogen-bonded Turntrans-87.1-6.6177-67.3-179.6-179.61600114.6P89 D90 T126P89-K128 WeakPolarHBondContact O-CD 3.23Å; P89-K128 WeakPolarHBondContact O-CE 3.37Å; P89-K128 PolarHBondContact O-NZ 3.38Å; D90-K128 IonicContact OD1-NZ 2.91Å; D90-K128 PolarHBondContact OD1-NZ 3.06Å; T126-K128 VanDerWaalsContact C-N 3.25Å; T126-K128 PolarHBondContact O-N 3.3Å; T126-K128 VanDerWaalsContact O-N 3.11Å
129H98.3Very high98.1Very high26 Ų2656.6 Ų56.612%0.1227%0.272CS..  trans-121.518.4-169.5-54.3-59.8000113S91 T126 E131 L132 Y133S91-H129 PolarHBondContact O-NE2 3.21Å; T126-H129 CarbonylContact O-C 3.59Å; T126-H129 PolarHBondContact O-N 2.93Å; H129-E131 VanDerWaalsContact C-N 3.27Å; H129-E131 PolarHBondContact O-N 2.82Å; H129-E131 VanDerWaalsContact O-N 3.16Å; H129-L132 WeakPolarHBondContact O-CB 3.28Å; H129-L132 PolarHBondContact O-N 3.41Å; H129-Y133 HydrophobicContact CB-CD2 3.69Å; H129-Y133 HydrophobicContact CB-CE2 3.76Å; H129-Y133 WeakPolarHBondContact O-CD2 3.42Å; H129-Y133 PolarHBondContact O-N 2.9Å; H129-Y133 VanDerWaalsContact O-N 3.09Å
130Q98Very high98.2Very high90 Ų9052.8 Ų52.842%0.42126%0.255SS..Hα-helixtrans-55.1-38.6-170.7-67.2-64-65.600113.6T126 L132 Y133 Q134T126-Q130 VanDerWaalsContact C-NE2 3.29Å; T126-Q130 PolarHBondContact O-N 2.57Å; T126-Q130 PolarHBondContact O-NE2 2.73Å; T126-Q130 PolarHBondContact OG1-NE2 2.7Å; Q130-L132 VanDerWaalsContact C-N 3.31Å; Q130-L132 PolarHBondContact O-N 2.91Å; Q130-Y133 PolarHBondContact O-N 3.04Å; Q130-Q134 VanDerWaalsContact O-CG 3.22Å; Q130-Q134 WeakPolarHBondContact O-CG 3.27Å; Q130-Q134 PolarHBondContact O-N 3.14Å
131E98.1Very high98.2Very high124 Ų12448.1 Ų48.158%0.57924%0.235SC*.Hα-helixtrans-57.7-43.4177.1-170.8-158.1135.500112R102 H129R102-E131 IonicContact CZ-OE1 3.29Å; R102-E131 VanDerWaalsContact CZ-OE1 3.29Å; R102-E131 IonicContact NH1-OE1 2.8Å; R102-E131 PolarHBondContact NH1-OE1 3.11Å; R102-E131 IonicContact NH2-OE1 2.86Å; R102-E131 PolarHBondContact NH2-OE1 2.96Å; R102-E131 IonicContact NH2-OE2 3.86Å; H129-E131 VanDerWaalsContact C-N 3.27Å; H129-E131 PolarHBondContact O-N 2.82Å; H129-E131 VanDerWaalsContact O-N 3.16Å
132L98.6Very high98.2Very high5 Ų548.3 Ų48.33%0.02624%0.237CC..Hα-helixtrans-71-40.4179.1-169.266000111.3L93 E98 I101 R102 H129 Q130 Q134 L135L93-L132 HydrophobicContact CD1-CD2 3.86Å; L93-L132 HydrophobicContact CD2-CD2 3.72Å; L93-L132 HydrophobicContact CG-CD2 4.48Å; E98-L132 HydrophobicContact CB-CD1 4.46Å; E98-L132 HydrophobicContact CB-CD2 4.07Å; E98-L132 HydrophobicContact CG-CD1 4.06Å; E98-L132 HydrophobicContact CG-CD2 4.39Å; I101-L132 HydrophobicContact CB-CD1 3.9Å; I101-L132 HydrophobicContact CB-CG 4.42Å; I101-L132 HydrophobicContact CD1-CD1 4.31Å; I101-L132 HydrophobicContact CD1-CD2 3.8Å; I101-L132 HydrophobicContact CD1-CG 3.95Å; I101-L132 HydrophobicContact CG2-CD1 3.61Å; I101-L132 HydrophobicContact CG2-CG 4.07Å; R102-L132 HydrophobicContact CG-CD1 3.92Å; H129-L132 WeakPolarHBondContact O-CB 3.28Å; H129-L132 PolarHBondContact O-N 3.41Å; Q130-L132 VanDerWaalsContact C-N 3.31Å; Q130-L132 PolarHBondContact O-N 2.91Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 2.9Å; L132-L135 HydrophobicContact CD1-CD1 4.3Å; L132-L135 WeakPolarHBondContact O-CB 3.48Å; L132-L135 WeakPolarHBondContact O-CG 3.47Å; L132-L135 PolarHBondContact O-N 2.92Å
133Y98.6Very high98.1Very high7 Ų750.7 Ų50.73%0.02725%0.254CS..Hα-helixtrans-74.7-21.8-176.9-82.8-99.2000113.8N16 L21 L113 F122 T126 H129 Q130 L135 F136N16-Y133 VanDerWaalsContact OD1-CE1 3.23Å; N16-Y133 WeakPolarHBondContact OD1-CE1 3.28Å; N16-Y133 VanDerWaalsContact OD1-CZ 3.31Å; N16-Y133 PolarHBondContact OD1-OH 3.06Å; L21-Y133 WeakPolarHBondContact CD1-OH 3.4Å; L21-Y133 VanDerWaalsContact CG-OH 3.23Å; L21-Y133 WeakPolarHBondContact CG-OH 3.4Å; L113-Y133 HydrophobicContact CD1-CD1 3.85Å; L113-Y133 HydrophobicContact CD1-CE1 3.44Å; L113-Y133 VanDerWaalsContact CD1-CE1 3.44Å; F122-Y133 HydrophobicContact CE2-CD1 4.03Å; F122-Y133 AromaticContact CE2-CE1 3.83Å; F122-Y133 HydrophobicContact CE2-CE1 3.83Å; F122-Y133 AromaticContact CZ-CD1 3.72Å; F122-Y133 HydrophobicContact CZ-CD1 3.72Å; F122-Y133 HydrophobicContact CZ-CE1 4.03Å; T126-Y133 HydrophobicContact CG2-CD1 3.58Å; T126-Y133 HydrophobicContact CG2-CD2 4.04Å; T126-Y133 HydrophobicContact CG2-CE1 3.34Å; T126-Y133 HydrophobicContact CG2-CE2 3.85Å; T126-Y133 HydrophobicContact CG2-CG 3.91Å; T126-Y133 VanDerWaalsContact CG2-CZ 3.5Å; H129-Y133 HydrophobicContact CB-CD2 3.69Å; H129-Y133 HydrophobicContact CB-CE2 3.76Å; H129-Y133 WeakPolarHBondContact O-CD2 3.42Å; H129-Y133 PolarHBondContact O-N 2.9Å; H129-Y133 VanDerWaalsContact O-N 3.09Å; Q130-Y133 PolarHBondContact O-N 3.04Å; Y133-L135 PolarHBondContact O-N 3.15Å; Y133-F136 AromaticContact CD1-CD2 3.97Å; Y133-F136 HydrophobicContact CD1-CD2 3.97Å; Y133-F136 AromaticContact CD1-CE2 3.96Å; Y133-F136 HydrophobicContact CD1-CE2 3.96Å; Y133-F136 HydrophobicContact CE1-CE2 4.24Å; Y133-F136 HydrophobicContact CG-CD2 4.34Å; Y133-F136 HydrophobicContact CG-CE2 4.28Å; Y133-F136 WeakPolarHBondContact O-CD2 3.37Å; Y133-F136 PolarHBondContact O-N 3.04Å
134Q98.3Very high98Very high149 Ų14948.9 Ų48.970%0.69625%0.247SC*.THydrogen-bonded Turntrans-63.9-16.7171.4-78.4169.814.700113.2Q130 L132 F136Q130-Q134 VanDerWaalsContact O-CG 3.22Å; Q130-Q134 WeakPolarHBondContact O-CG 3.27Å; Q130-Q134 PolarHBondContact O-N 3.14Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 2.9Å; Q134-F136 VanDerWaalsContact C-N 3.27Å; Q134-F136 PolarHBondContact O-N 3.5Å
135L98.6Very high98Very high40 Ų4047.5 Ų47.521%0.20924%0.24CC..THydrogen-bonded Turntrans-78.7-10.4178.1-50.8-178.4000112.9I101 H105 M111 L132 Y133I101-L135 HydrophobicContact CG2-CB 4.34Å; I101-L135 HydrophobicContact CG2-CD1 4.01Å; H105-L135 HydrophobicContact CB-CD1 4.09Å; M111-L135 HydrophobicContact CE-CB 3.98Å; L132-L135 HydrophobicContact CD1-CD1 4.3Å; L132-L135 WeakPolarHBondContact O-CB 3.48Å; L132-L135 WeakPolarHBondContact O-CG 3.47Å; L132-L135 PolarHBondContact O-N 2.92Å; Y133-L135 PolarHBondContact O-N 3.15Å
136F98.6Very high97.8Very high10 Ų1052.2 Ų52.24%0.04427%0.27CS..  trans-88.1128.1175.3-62.4-70.1000111.3F14 L20 I101 M111 L113 Y133 Q134 I139F14-F136 HydrophobicContact CB-CE1 4.41Å; F14-F136 HydrophobicContact CD2-CD1 4.47Å; F14-F136 AromaticContact CD2-CE1 3.57Å; F14-F136 HydrophobicContact CD2-CE1 3.57Å; F14-F136 HydrophobicContact CD2-CZ 4.34Å; F14-F136 HydrophobicContact CE2-CE1 4.12Å; F14-F136 HydrophobicContact CG-CE1 4.21Å; L20-F136 HydrophobicContact CD1-CE2 4.18Å; L20-F136 HydrophobicContact CD1-CZ 3.69Å; I101-F136 HydrophobicContact CD1-CE2 4.11Å; I101-F136 HydrophobicContact CD1-CZ 3.54Å; I101-F136 HydrophobicContact CG1-CE1 4.37Å; I101-F136 HydrophobicContact CG1-CZ 3.78Å; I101-F136 HydrophobicContact CG2-CZ 4.22Å; M111-F136 HydrophobicContact CB-CD1 3.76Å; M111-F136 HydrophobicContact CB-CE1 4.1Å; M111-F136 WeakPolarHBondContact O-CA 3.45Å; M111-F136 HydrophobicContact SD-CE1 4.46Å; L113-F136 HydrophobicContact CB-CB 4.29Å; L113-F136 HydrophobicContact CB-CD1 4.2Å; L113-F136 HydrophobicContact CB-CD2 4.45Å; L113-F136 HydrophobicContact CB-CG 4.07Å; L113-F136 HydrophobicContact CD1-CD2 4.04Å; L113-F136 HydrophobicContact CD1-CE2 4.02Å; L113-F136 HydrophobicContact CD1-CG 4.46Å; L113-F136 HydrophobicContact CD1-CZ 4.4Å; Y133-F136 AromaticContact CD1-CD2 3.97Å; Y133-F136 HydrophobicContact CD1-CD2 3.97Å; Y133-F136 AromaticContact CD1-CE2 3.96Å; Y133-F136 HydrophobicContact CD1-CE2 3.96Å; Y133-F136 HydrophobicContact CE1-CE2 4.24Å; Y133-F136 HydrophobicContact CG-CD2 4.34Å; Y133-F136 HydrophobicContact CG-CE2 4.28Å; Y133-F136 WeakPolarHBondContact O-CD2 3.37Å; Y133-F136 PolarHBondContact O-N 3.04Å; Q134-F136 VanDerWaalsContact C-N 3.27Å; Q134-F136 PolarHBondContact O-N 3.5Å; F136-I139 HydrophobicContact CB-CD1 4.18Å; F136-I139 HydrophobicContact CB-CG1 3.76Å
137N97.7Very high97.7Very high101 Ų10156.5 Ų56.554%0.5430%0.296SS..SBendtrans-148.8106.7167.1-176.316.6000108.8M111 F165M111-N137 CarbonylContact O-C 3.48Å; M111-N137 PolarHBondContact O-N 3.42Å; N137-F165 VanDerWaalsContact O-CD1 3.28Å; N137-F165 WeakPolarHBondContact O-CD1 3.48Å; N137-F165 WeakPolarHBondContact O-CE1 3.42Å
138P98Very high97.6Very high8 Ų854.7 Ų54.75%0.05228%0.282CS..SBendcis-94.8165.51636.8-37.5000114.5G112 L113 C161 R164G112-P138 CarbonylContact C-O 3.54Å; G112-P138 WeakPolarHBondContact CA-O 3.38Å; L113-P138 PolarHBondContact N-O 3.02Å; P138-C161 VanDerWaalsContact CG-O 3.27Å; P138-C161 WeakPolarHBondContact CG-O 3.27Å; P138-R164 HydrophobicContact CB-CB 3.74Å; P138-R164 HydrophobicContact CG-CB 3.62Å
139I98.6Very high97.4Very high64 Ų6457.5 Ų57.533%0.32829%0.294SS..EExtended strand (participates in β ladder)trans-111.1124.5163.9-63.2175.7000108.4L113 F122 F136L113-I139 HydrophobicContact CB-CG1 4.28Å; L113-I139 HydrophobicContact CD2-CG2 4.19Å; L113-I139 CarbonylContact O-C 3.51Å; F122-I139 HydrophobicContact CE1-CD1 4.41Å; F122-I139 HydrophobicContact CE1-CG2 3.86Å; F122-I139 HydrophobicContact CZ-CD1 4.21Å; F122-I139 HydrophobicContact CZ-CG2 3.78Å; F136-I139 HydrophobicContact CB-CD1 4.18Å; F136-I139 HydrophobicContact CB-CG1 3.76Å
140V98.4Very high97.2Very high0 Ų059.7 Ų59.70%031%0.31CS..EExtended strand (participates in β ladder)trans-118.7114.31801780000109.5L113 C114 T115 E145 C161L113-V140 PolarHBondContact O-N 2.97Å; C114-V140 WeakPolarHBondContact CA-O 3.36Å; T115-V140 PolarHBondContact N-O 3.02Å; V140-E145 HydrophobicContact CG1-CG 3.71Å; V140-C161 HydrophobicContact CB-CB 4.43Å; V140-C161 HydrophobicContact CG2-CB 3.88Å
141C98.3Very high97Very high10 Ų1056.7 Ų56.77%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-96.7104.8167.2-65.50000108.2T115 E119 P143 Q144T115-C141 HydrophobicContact CG2-CB 4.44Å; E119-C141 HydrophobicContact CB-CB 4.36Å; C141-P143 VanDerWaalsContact C-CD 3.42Å; C141-P143 VanDerWaalsContact C-N 3.32Å; C141-P143 VanDerWaalsContact O-N 3.15Å; C141-Q144 HydrophobicContact CB-CB 4.39Å; C141-Q144 WeakPolarHBondContact O-CB 3.16Å; C141-Q144 PolarHBondContact O-N 3.16Å
142I97.6Very high96.8Very high16 Ų1652.1 Ų52.18%0.08228%0.281CS..G310 helixtrans-50-43.7-171.8-63.9167.2000113.2T115 A116 Q144 E145 I148 K152 C157T115-I142 VanDerWaalsContact O-CG1 3.29Å; T115-I142 WeakPolarHBondContact O-CG1 3.49Å; T115-I142 PolarHBondContact O-N 3.29Å; A116-I142 HydrophobicContact CB-CD1 4.36Å; I142-Q144 PolarHBondContact O-N 2.82Å; I142-Q144 VanDerWaalsContact O-N 3.11Å; I142-E145 WeakPolarHBondContact O-CB 3.29Å; I142-E145 PolarHBondContact O-N 2.74Å; I142-I148 HydrophobicContact CG1-CD1 4.28Å; I142-I148 HydrophobicContact CG2-CB 4.4Å; I142-I148 HydrophobicContact CG2-CD1 4.14Å; I142-I148 HydrophobicContact CG2-CG2 3.85Å; I142-K152 HydrophobicContact CD1-CG 4.27Å; I142-C157 HydrophobicContact CD1-CB 3.57Å; I142-C157 HydrophobicContact CG1-CB 3.7Å
143P95.6Very high96.7Very high65 Ų6553.4 Ų53.442%0.42229%0.289SS..G310 helixtrans-65.2-13.7179.9-23.136.2000115.2A116 S117 K118 C141A116-P143 VanDerWaalsContact O-CG 3.28Å; A116-P143 WeakPolarHBondContact O-CG 3.22Å; S117-P143 WeakPolarHBondContact O-CD 3.32Å; K118-P143 HydrophobicContact CG-CB 4.11Å; K118-P143 HydrophobicContact CG-CG 4.16Å; C141-P143 VanDerWaalsContact C-CD 3.42Å; C141-P143 VanDerWaalsContact C-N 3.32Å; C141-P143 VanDerWaalsContact O-N 3.15Å
144Q96.8Very high96.7Very high80 Ų8056.8 Ų56.837%0.37431%0.306SS..G310 helixtrans-95-1.6176.2-79.25961.400112.2E119 C141 I142 P146E119-Q144 HydrophobicContact CB-CG 3.9Å; C141-Q144 HydrophobicContact CB-CB 4.39Å; C141-Q144 WeakPolarHBondContact O-CB 3.16Å; C141-Q144 PolarHBondContact O-N 3.16Å; I142-Q144 PolarHBondContact O-N 2.82Å; I142-Q144 VanDerWaalsContact O-N 3.11Å; Q144-P146 VanDerWaalsContact O-CD 3.29Å; Q144-P146 WeakPolarHBondContact O-CD 3.39Å
145E97Very high96.7Very high27 Ų2751 Ų5113%0.12628%0.28CS..  trans-100.8103.4-175.4-63.6-55.8161.200112.5V140 I142 T147 I148 L160 R164V140-E145 HydrophobicContact CG1-CG 3.71Å; I142-E145 WeakPolarHBondContact O-CB 3.29Å; I142-E145 PolarHBondContact O-N 2.74Å; E145-T147 PolarHBondContact O-N 3.44Å; E145-T147 VanDerWaalsContact O-N 3.16Å; E145-I148 HydrophobicContact CB-CB 4.24Å; E145-I148 HydrophobicContact CB-CD1 3.69Å; E145-I148 HydrophobicContact CB-CG1 3.88Å; E145-I148 HydrophobicContact CG-CD1 4.02Å; E145-I148 PolarHBondContact O-N 2.99Å; E145-I148 VanDerWaalsContact O-N 3.09Å; E145-L160 HydrophobicContact CB-CD2 4.08Å; E145-L160 HydrophobicContact CG-CD2 3.88Å; E145-R164 VanDerWaalsContact CD-NH2 3.25Å; E145-R164 IonicContact OE1-CZ 3.4Å; E145-R164 IonicContact OE1-NH1 2.67Å; E145-R164 PolarHBondContact OE1-NH1 3.1Å; E145-R164 IonicContact OE1-NH2 2.82Å; E145-R164 PolarHBondContact OE1-NH2 2.65Å; E145-R164 IonicContact OE2-CZ 3.45Å; E145-R164 IonicContact OE2-NH1 3.55Å; E145-R164 IonicContact OE2-NH2 2.62Å; E145-R164 PolarHBondContact OE2-NH2 3.26Å
146P95.5Very high96.7Very high99 Ų9952.3 Ų52.364%0.64329%0.288SS*.THydrogen-bonded Turntrans-68-20-174.627.6-35.6000113.6Q144 K149Q144-P146 VanDerWaalsContact O-CD 3.29Å; Q144-P146 WeakPolarHBondContact O-CD 3.39Å; P146-K149 PolarHBondContact O-NZ 3.12Å
147T95.8Very high96.7Very high92 Ų9251.9 Ų51.956%0.56429%0.286SS*.THydrogen-bonded Turntrans-77.4-22.717756.50000112.4E145 K149E145-T147 PolarHBondContact O-N 3.44Å; E145-T147 VanDerWaalsContact O-N 3.16Å; T147-K149 PolarHBondContact O-N 3.43Å
148I95.6Very high96.7Very high18 Ų1847 Ų479%0.09226%0.26CS..  trans-87.3108.5177.6-57.6175.6000108.6I142 E145 V150 D156 C157 L160I142-I148 HydrophobicContact CG1-CD1 4.28Å; I142-I148 HydrophobicContact CG2-CB 4.4Å; I142-I148 HydrophobicContact CG2-CD1 4.14Å; I142-I148 HydrophobicContact CG2-CG2 3.85Å; E145-I148 HydrophobicContact CB-CB 4.24Å; E145-I148 HydrophobicContact CB-CD1 3.69Å; E145-I148 HydrophobicContact CB-CG1 3.88Å; E145-I148 HydrophobicContact CG-CD1 4.02Å; E145-I148 PolarHBondContact O-N 2.99Å; E145-I148 VanDerWaalsContact O-N 3.09Å; I148-V150 VanDerWaalsContact CG2-O 3.22Å; I148-V150 WeakPolarHBondContact CG2-O 3.23Å; I148-D156 HydrophobicContact CG2-CB 4.43Å; I148-C157 HydrophobicContact CD1-CB 3.78Å; I148-L160 HydrophobicContact CD1-CD2 3.77Å; I148-L160 HydrophobicContact CG1-CD2 3.92Å
149K93.6Very high96.7Very high176 Ų17650 Ų5077%0.76528%0.275SS*.SBendtrans-85.5-31178.6-57.4-50.9-175.8-1680113.2P146 T147P146-K149 PolarHBondContact O-NZ 3.12Å; T147-K149 PolarHBondContact O-N 3.43Å
150V93.8Very high96.7Very high73 Ų7348.4 Ų48.444%0.44227%0.267SS..SBendtrans-133.9129.8178.9-169.70000108.1I148 H154I148-V150 VanDerWaalsContact CG2-O 3.22Å; I148-V150 WeakPolarHBondContact CG2-O 3.23Å; V150-H154 HydrophobicContact CB-CB 4.29Å; V150-H154 HydrophobicContact CG1-CB 4.49Å; V150-H154 WeakPolarHBondContact CG1-CD2 3.33Å
151G93.3Very high96.7Very high27 Ų2748.4 Ų48.428%0.27827%0.267SS..  trans-73-165.4176.700000113H154G151-H154 WeakPolarHBondContact O-CB 3.41Å; G151-H154 PolarHBondContact O-N 3.2Å
152K95.7Very high96.7Very high28 Ų2848.1 Ų48.112%0.12227%0.266CS..THydrogen-bonded Turntrans-50.3128.9172.4-58.9170.8-177.4-172.10109D15 C114 I142 Y158 E179 N183 A187D15-K152 IonicContact OD1-NZ 3.55Å; D15-K152 PolarHBondContact OD1-NZ 3.5Å; C114-K152 PolarHBondContact O-NZ 3.39Å; I142-K152 HydrophobicContact CD1-CG 4.27Å; K152-Y158 PolarHBondContact NZ-OH 3.11Å; K152-E179 VanDerWaalsContact CE-OE1 3.28Å; K152-E179 WeakPolarHBondContact CE-OE1 3.23Å; K152-E179 IonicContact NZ-OE1 2.65Å; K152-E179 PolarHBondContact NZ-OE1 3.37Å; K152-N183 HydrophobicContact CB-CB 3.98Å; K152-A187 HydrophobicContact CB-CB 4.28Å; K152-A187 HydrophobicContact CG-CB 4.1Å
153P96.3Very high96.7Very high31 Ų3150.8 Ų50.820%0.20129%0.286CS..THydrogen-bonded Turncis-95.516.921.238.3-38.5000116.1N183 L186 A187 R190P153-N183 VanDerWaalsContact CA-O 3.27Å; P153-N183 WeakPolarHBondContact CA-O 3.2Å; P153-N183 HydrophobicContact CB-CB 4.35Å; P153-N183 WeakPolarHBondContact CB-O 3.21Å; P153-L186 HydrophobicContact CB-CB 3.73Å; P153-L186 HydrophobicContact CB-CD1 4.26Å; P153-A187 WeakPolarHBondContact O-CA 3.46Å; P153-R190 WeakPolarHBondContact O-CD 3.22Å; P153-R190 PolarHBondContact O-NH1 2.81Å
154H97.4Very high96.8Very high79 Ų7952.4 Ų52.437%0.36628%0.283SS..SBendtrans-74143.4172.9-78.7-105.6000111.5V150 G151 D156 A187V150-H154 HydrophobicContact CB-CB 4.29Å; V150-H154 HydrophobicContact CG1-CB 4.49Å; V150-H154 WeakPolarHBondContact CG1-CD2 3.33Å; G151-H154 WeakPolarHBondContact O-CB 3.41Å; G151-H154 PolarHBondContact O-N 3.2Å; H154-D156 VanDerWaalsContact C-N 3.27Å; H154-D156 PolarHBondContact O-N 2.97Å; H154-A187 WeakPolarHBondContact O-CB 3.38Å
155P98.2Very high96.9Very high26 Ų2648.8 Ų48.817%0.16927%0.266CS..THydrogen-bonded Turntrans-75.5-15.7-172.832.9-37.1000113.6C157 Y158 L159 R190 A191P155-C157 PolarHBondContact O-N 2.84Å; P155-C157 VanDerWaalsContact O-N 3.11Å; P155-Y158 PolarHBondContact O-N 2.93Å; P155-L159 HydrophobicContact CB-CD1 4.04Å; P155-L159 HydrophobicContact CB-CG 4.37Å; P155-L159 HydrophobicContact CG-CD1 4.24Å; P155-L159 PolarHBondContact O-N 3.12Å; P155-R190 HydrophobicContact CB-CB 3.97Å; P155-R190 HydrophobicContact CG-CB 4.26Å; P155-A191 HydrophobicContact CB-CB 3.76Å
156D98.3Very high96.7Very high69 Ų6951 Ų5137%0.36928%0.283SS..Hα-helixtrans-50.5-40.8-171-59.9-113.5000112.8I148 H154 L159 L160I148-D156 HydrophobicContact CG2-CB 4.43Å; H154-D156 VanDerWaalsContact C-N 3.27Å; H154-D156 PolarHBondContact O-N 2.97Å; D156-L159 PolarHBondContact O-N 2.96Å; D156-L160 WeakPolarHBondContact O-CB 3.35Å; D156-L160 PolarHBondContact O-N 3.14Å
157C98.4Very high96.5Very high0 Ų052.3 Ų52.30%029%0.291CS..Hα-helixtrans-63.6-43.3179.964.40000113.3I142 I148 P155 C161I142-C157 HydrophobicContact CD1-CB 3.57Å; I142-C157 HydrophobicContact CG1-CB 3.7Å; I148-C157 HydrophobicContact CD1-CB 3.78Å; P155-C157 PolarHBondContact O-N 2.84Å; P155-C157 VanDerWaalsContact O-N 3.11Å; C157-C161 VanDerWaalsContact O-CB 3.3Å; C157-C161 WeakPolarHBondContact O-CB 3.38Å; C157-C161 PolarHBondContact O-N 3.48Å
158Y98.7Very high96.3Very high0 Ų053.3 Ų53.30%030%0.3CS..Hα-helixtrans-75.2-38.6178.4-76.6-56.3000111.9I13 C114 K152 P155 L160 C161 A162 V177 E179 A187 A188 M193I13-Y158 HydrophobicContact CB-CD1 4.44Å; I13-Y158 HydrophobicContact CD1-CD1 4.41Å; I13-Y158 HydrophobicContact CG2-CD1 3.84Å; I13-Y158 HydrophobicContact CG2-CE1 3.75Å; C114-Y158 HydrophobicContact CB-CD1 4.09Å; C114-Y158 HydrophobicContact CB-CE1 3.77Å; K152-Y158 PolarHBondContact NZ-OH 3.11Å; P155-Y158 PolarHBondContact O-N 2.93Å; Y158-L160 VanDerWaalsContact C-N 3.34Å; Y158-L160 PolarHBondContact O-N 3.5Å; Y158-C161 PolarHBondContact O-N 3.25Å; Y158-A162 WeakPolarHBondContact O-CB 3.25Å; Y158-A162 PolarHBondContact O-N 3.17Å; Y158-V177 HydrophobicContact CD1-CG1 4.24Å; Y158-V177 HydrophobicContact CD1-CG2 3.96Å; Y158-V177 HydrophobicContact CE1-CG1 3.56Å; Y158-V177 HydrophobicContact CE1-CG2 4.12Å; Y158-V177 HydrophobicContact CE2-CG1 4.1Å; Y158-V177 HydrophobicContact CG-CG2 4.3Å; Y158-V177 VanDerWaalsContact CZ-CG1 3.49Å; Y158-E179 VanDerWaalsContact OH-CD 3.28Å; Y158-E179 VanDerWaalsContact OH-CG 3.26Å; Y158-E179 WeakPolarHBondContact OH-CG 3.3Å; Y158-E179 PolarHBondContact OH-OE1 3.11Å; Y158-A187 HydrophobicContact CD2-CB 3.75Å; Y158-A187 HydrophobicContact CE2-CB 3.86Å; Y158-A188 HydrophobicContact CD2-CB 4.11Å; Y158-A188 HydrophobicContact CE2-CB 4.13Å; Y158-M193 WeakPolarHBondContact O-CE 3.14Å
159L98.5Very high96.1Very high71 Ų7155.3 Ų55.337%0.37232%0.319SS..Hα-helixtrans-61.3-42.4173.5-67.2173.6000111.6P155 D156 S163 P172 A191P155-L159 HydrophobicContact CB-CD1 4.04Å; P155-L159 HydrophobicContact CB-CG 4.37Å; P155-L159 HydrophobicContact CG-CD1 4.24Å; P155-L159 PolarHBondContact O-N 3.12Å; D156-L159 PolarHBondContact O-N 2.96Å; L159-S163 WeakPolarHBondContact O-CB 3.48Å; L159-S163 PolarHBondContact O-N 3.37Å; L159-P172 HydrophobicContact CD2-CG 4.04Å; L159-A191 HydrophobicContact CD2-CB 3.95Å; L159-A191 HydrophobicContact CG-CB 3.98Å
160L98.3Very high96.3Very high29 Ų2947.8 Ų47.815%0.15229%0.288CS..Hα-helixtrans-66.5-43.4175.3-178.767.2000112.1E145 I148 D156 Y158 A162 S163 R164E145-L160 HydrophobicContact CB-CD2 4.08Å; E145-L160 HydrophobicContact CG-CD2 3.88Å; I148-L160 HydrophobicContact CD1-CD2 3.77Å; I148-L160 HydrophobicContact CG1-CD2 3.92Å; D156-L160 WeakPolarHBondContact O-CB 3.35Å; D156-L160 PolarHBondContact O-N 3.14Å; Y158-L160 VanDerWaalsContact C-N 3.34Å; Y158-L160 PolarHBondContact O-N 3.5Å; L160-A162 VanDerWaalsContact C-N 3.34Å; L160-S163 PolarHBondContact O-N 3.38Å; L160-S163 PolarHBondContact O-OG 2.89Å; L160-R164 WeakPolarHBondContact O-CG 3.29Å; L160-R164 PolarHBondContact O-N 3.09Å
161C98.5Very high96.4Very high0 Ų051.7 Ų51.70%030%0.299CS..Hα-helixtrans-62-44.4177-173.20000110.6I13 C114 P138 V140 C157 Y158 S163 R164I13-C161 HydrophobicContact CD1-CB 3.98Å; I13-C161 HydrophobicContact CG2-CB 4.48Å; C114-C161 HydrophobicContact CB-CB 4.12Å; P138-C161 VanDerWaalsContact CG-O 3.27Å; P138-C161 WeakPolarHBondContact CG-O 3.27Å; V140-C161 HydrophobicContact CB-CB 4.43Å; V140-C161 HydrophobicContact CG2-CB 3.88Å; C157-C161 VanDerWaalsContact O-CB 3.3Å; C157-C161 WeakPolarHBondContact O-CB 3.38Å; C157-C161 PolarHBondContact O-N 3.48Å; Y158-C161 PolarHBondContact O-N 3.25Å; C161-S163 PolarHBondContact O-N 2.9Å; C161-R164 PolarHBondContact O-N 3.45Å
162A98.5Very high96.7Very high5 Ų552.7 Ų52.74%0.04130%0.3CS..Hα-helixtrans-63.6-38.4175.900000113.1I13 Y158 L160 R164 F165 P170 V175 M193I13-A162 HydrophobicContact CD1-CB 4.07Å; Y158-A162 WeakPolarHBondContact O-CB 3.25Å; Y158-A162 PolarHBondContact O-N 3.17Å; L160-A162 VanDerWaalsContact C-N 3.34Å; A162-R164 PolarHBondContact O-N 3.01Å; A162-F165 WeakPolarHBondContact O-CD2 3.45Å; A162-F165 PolarHBondContact O-N 2.79Å; A162-P170 HydrophobicContact CB-CG 4.38Å; A162-P170 WeakPolarHBondContact O-CD 3.24Å; A162-V175 HydrophobicContact CB-CG2 4.33Å; A162-M193 HydrophobicContact CB-CE 3.63Å
163S97.5Very high96.7Very high71 Ų7154.4 Ų54.450%0.49732%0.316SS..Hα-helixtrans-69.9-16.4179.773.50000113.9L159 L160 C161L159-S163 WeakPolarHBondContact O-CB 3.48Å; L159-S163 PolarHBondContact O-N 3.37Å; L160-S163 PolarHBondContact O-N 3.38Å; L160-S163 PolarHBondContact O-OG 2.89Å; C161-S163 PolarHBondContact O-N 2.9Å
164R97.6Very high96.8Very high99 Ų9954.4 Ų54.437%0.37432%0.317SS..THydrogen-bonded Turntrans-91.4-4.1178.8-77.2-179.6179-175.63.3114.5P138 E145 L160 C161 A162P138-R164 HydrophobicContact CB-CB 3.74Å; P138-R164 HydrophobicContact CG-CB 3.62Å; E145-R164 VanDerWaalsContact CD-NH2 3.25Å; E145-R164 IonicContact OE1-CZ 3.4Å; E145-R164 IonicContact OE1-NH1 2.67Å; E145-R164 PolarHBondContact OE1-NH1 3.1Å; E145-R164 IonicContact OE1-NH2 2.82Å; E145-R164 PolarHBondContact OE1-NH2 2.65Å; E145-R164 IonicContact OE2-CZ 3.45Å; E145-R164 IonicContact OE2-NH1 3.55Å; E145-R164 IonicContact OE2-NH2 2.62Å; E145-R164 PolarHBondContact OE2-NH2 3.26Å; L160-R164 WeakPolarHBondContact O-CG 3.29Å; L160-R164 PolarHBondContact O-N 3.09Å; C161-R164 PolarHBondContact O-N 3.45Å; A162-R164 PolarHBondContact O-N 3.01Å
165F98Very high96.9Very high5 Ų550.7 Ų50.72%0.02230%0.299CS..SBendtrans-59.2150.3167.3-79.2-64.3000110.9H11 I13 P110 M111 G112 N137 A162 P170H11-F165 HydrophobicContact CB-CD2 4.43Å; H11-F165 HydrophobicContact CB-CE2 4Å; H11-F165 HydrophobicContact CB-CZ 4.26Å; H11-F165 AromaticContact CD2-CD1 3.87Å; H11-F165 AromaticContact CD2-CD2 3.57Å; H11-F165 AromaticContact CD2-CE2 3.92Å; H11-F165 AromaticContact CD2-CG 3.56Å; I13-F165 HydrophobicContact CD1-CE2 4.07Å; I13-F165 HydrophobicContact CG1-CE2 3.79Å; I13-F165 HydrophobicContact CG1-CZ 3.98Å; P110-F165 HydrophobicContact CB-CD1 3.86Å; P110-F165 HydrophobicContact CB-CE1 3.83Å; M111-F165 VanDerWaalsContact C-CE1 3.44Å; G112-F165 VanDerWaalsContact N-CZ 3.27Å; N137-F165 VanDerWaalsContact O-CD1 3.28Å; N137-F165 WeakPolarHBondContact O-CD1 3.48Å; N137-F165 WeakPolarHBondContact O-CE1 3.42Å; A162-F165 WeakPolarHBondContact O-CD2 3.45Å; A162-F165 PolarHBondContact O-N 2.79Å; F165-P170 HydrophobicContact CD2-CG 3.92Å
166P93.5Very high96.9Very high74 Ų7449.4 Ų49.448%0.48129%0.291SS..SBendtrans-50.2136.8172.3-27.435.6000111.4
167P91.2Very high96.9Very high125 Ų12546.1 Ų46.181%0.81227%0.274SS*.SBendtrans-57.9147.2-178-26.834.5000113.6
168P91.7Very high97Very high114 Ų11446.1 Ų46.174%0.7427%0.274SS*.SBendcis-78.4141.1-0.832.2-34.1000112.2
169A90.9Very high96.9Very high59 Ų5946.1 Ų46.149%0.48827%0.274SS..PPolyproline II helixtrans-59.4136.3175.700000111
170P97.4Very high96.9Very high18 Ų1843.8 Ų43.812%0.11726%0.261CS..PPolyproline II helixtrans-68148.3179.727.5-35000112H11 A162 F165 V175H11-P170 HydrophobicContact CB-CB 4.44Å; H11-P170 HydrophobicContact CB-CG 4.25Å; A162-P170 HydrophobicContact CB-CG 4.38Å; A162-P170 WeakPolarHBondContact O-CD 3.24Å; F165-P170 HydrophobicContact CD2-CG 3.92Å; P170-V175 HydrophobicContact CB-CG2 3.89Å; P170-V175 HydrophobicContact CG-CG2 3.75Å
171K97.6Very high96.8Very high156 Ų15644 Ų4468%0.67827%0.266SS*.PPolyproline II helixtrans-63.6141.5163-65.3179.9-178177.20108.5S173 S174K171-S173 PolarHBondContact O-N 2.94Å; K171-S173 VanDerWaalsContact O-N 3.11Å; K171-S174 WeakPolarHBondContact O-CB 3.42Å; K171-S174 PolarHBondContact O-N 2.72Å
172P98Very high96.7Very high48 Ų4845.4 Ų45.431%0.31227%0.274SS..G310 helixtrans-55-36179.8-26.433.1000113.8L159 S174 V175 A191 G192 M193L159-P172 HydrophobicContact CD2-CG 4.04Å; P172-S174 PolarHBondContact O-N 3.01Å; P172-S174 VanDerWaalsContact O-N 3.09Å; P172-V175 PolarHBondContact O-N 3.39Å; P172-A191 WeakPolarHBondContact CB-O 3.29Å; P172-G192 CarbonylContact C-O 3.38Å; P172-M193 HydrophobicContact CB-CE 4.32Å; P172-M193 HydrophobicContact CB-CG 4.03Å; P172-M193 WeakPolarHBondContact O-CA 3.48Å; P172-M193 WeakPolarHBondContact O-CG 3.49Å
173S97.1Very high96.6Very high63 Ų6346.4 Ų46.444%0.44128%0.279SS..G310 helixtrans-66.3-11.8177.962.50000114.9K171 G192K171-S173 PolarHBondContact O-N 2.94Å; K171-S173 VanDerWaalsContact O-N 3.11Å; S173-G192 WeakPolarHBondContact CA-O 3.38Å; S173-G192 PolarHBondContact N-O 3.47Å
174S97.9Very high96.6Very high32 Ų3243 Ų4322%0.22426%0.255CS..G310 helixtrans-1018175.5-590000112.6V9 T10 H11 K171 P172V9-S174 CarbonylContact C-O 3.54Å; V9-S174 WeakPolarHBondContact CA-O 3.28Å; V9-S174 WeakPolarHBondContact CB-O 3.28Å; T10-S174 PolarHBondContact N-O 3.16Å; H11-S174 PolarHBondContact N-O 3.24Å; K171-S174 WeakPolarHBondContact O-CB 3.42Å; K171-S174 PolarHBondContact O-N 2.72Å; P172-S174 PolarHBondContact O-N 3.01Å; P172-S174 VanDerWaalsContact O-N 3.09Å
175V98.7Very high96.7Very high0 Ų038.4 Ų38.40%024%0.238CC..EExtended strand (participates in β ladder)trans-106134176.8-174.90000109.6H11 I13 A162 P170 P172 M193 Q194H11-V175 HydrophobicContact CB-CG2 4.28Å; H11-V175 WeakPolarHBondContact O-CA 3.25Å; I13-V175 HydrophobicContact CD1-CG1 3.73Å; I13-V175 HydrophobicContact CG1-CG1 3.83Å; A162-V175 HydrophobicContact CB-CG2 4.33Å; P170-V175 HydrophobicContact CB-CG2 3.89Å; P170-V175 HydrophobicContact CG-CG2 3.75Å; P172-V175 PolarHBondContact O-N 3.39Å; V175-M193 HydrophobicContact CB-CB 4.46Å; V175-M193 HydrophobicContact CB-CE 4.24Å; V175-M193 HydrophobicContact CB-CG 4.03Å; V175-M193 HydrophobicContact CB-SD 3.89Å; V175-M193 HydrophobicContact CG1-CE 4.27Å; V175-M193 HydrophobicContact CG1-CG 4.44Å; V175-M193 HydrophobicContact CG1-SD 3.71Å; V175-M193 HydrophobicContact CG2-CE 4.28Å; V175-Q194 PolarHBondContact O-N 3.35Å; V175-Q194 VanDerWaalsContact O-N 3.13Å
176L98.8Very high96.7Very high0 Ų040.6 Ų40.60%025%0.25CC..EExtended strand (participates in β ladder)trans-103.7123.2168.3-17261.9000109.8V9 H11 V12 I13 F178 Q194 V196 F221 F226 L228V9-L176 HydrophobicContact CB-CB 4.22Å; V9-L176 HydrophobicContact CG1-CB 4.02Å; V9-L176 HydrophobicContact CG2-CB 3.89Å; V9-L176 HydrophobicContact CG2-CD2 4.44Å; H11-L176 PolarHBondContact O-N 3.23Å; V12-L176 CarbonylContact C-O 3.57Å; V12-L176 VanDerWaalsContact CA-O 3.25Å; V12-L176 WeakPolarHBondContact CA-O 3.33Å; V12-L176 HydrophobicContact CG2-CB 4.44Å; I13-L176 PolarHBondContact N-O 2.87Å; L176-F178 HydrophobicContact CD2-CE2 3.66Å; L176-F178 HydrophobicContact CD2-CZ 3.86Å; L176-F178 HydrophobicContact CG-CD2 4.47Å; L176-F178 HydrophobicContact CG-CE2 3.99Å; L176-Q194 CarbonylContact C-O 3.55Å; L176-Q194 WeakPolarHBondContact CA-O 3.24Å; L176-Q194 HydrophobicContact CD1-CB 3.71Å; L176-V196 HydrophobicContact CD1-CG2 3.92Å; L176-V196 HydrophobicContact CD2-CG2 4.23Å; L176-V196 HydrophobicContact CG-CG2 4.33Å; L176-F221 HydrophobicContact CD2-CE2 3.99Å; L176-F221 HydrophobicContact CD2-CZ 3.71Å; L176-F226 HydrophobicContact CD1-CD1 3.67Å; L176-F226 HydrophobicContact CD1-CE1 3.5Å; L176-F226 HydrophobicContact CD1-CG 4.28Å; L176-F226 HydrophobicContact CD1-CZ 3.99Å; L176-F226 HydrophobicContact CD2-CB 4.27Å; L176-F226 HydrophobicContact CD2-CD1 4.15Å; L176-F226 HydrophobicContact CD2-CD2 4.1Å; L176-F226 HydrophobicContact CD2-CE2 4.49Å; L176-F226 HydrophobicContact CD2-CG 3.91Å; L176-L228 HydrophobicContact CD2-CD1 4.48Å
177V98.9Very high96.9Very high0 Ų037.1 Ų37.10%023%0.227CC..EExtended strand (participates in β ladder)trans-96.4138.3172.4179.20000109.4I13 Y158 E179 A188 M193 Q194 V195 V196I13-V177 HydrophobicContact CB-CG2 4.41Å; I13-V177 CarbonylContact O-C 3.49Å; I13-V177 VanDerWaalsContact O-CA 3.22Å; I13-V177 WeakPolarHBondContact O-CA 3.42Å; Y158-V177 HydrophobicContact CD1-CG1 4.24Å; Y158-V177 HydrophobicContact CD1-CG2 3.96Å; Y158-V177 HydrophobicContact CE1-CG1 3.56Å; Y158-V177 HydrophobicContact CE1-CG2 4.12Å; Y158-V177 HydrophobicContact CE2-CG1 4.1Å; Y158-V177 HydrophobicContact CG-CG2 4.3Å; Y158-V177 VanDerWaalsContact CZ-CG1 3.49Å; V177-E179 HydrophobicContact CG1-CG 3.85Å; V177-A188 HydrophobicContact CB-CB 3.74Å; V177-A188 HydrophobicContact CG1-CB 3.89Å; V177-A188 HydrophobicContact CG2-CB 3.76Å; V177-M193 HydrophobicContact CG2-CB 4.09Å; V177-M193 HydrophobicContact CG2-SD 3.6Å; V177-Q194 PolarHBondContact N-O 3.44Å; V177-V195 HydrophobicContact CB-CB 4.28Å; V177-V195 HydrophobicContact CB-CG2 4.1Å; V177-V195 HydrophobicContact CG1-CG2 4.19Å; V177-V195 CarbonylContact O-C 3.52Å; V177-V195 VanDerWaalsContact O-CA 3.24Å; V177-V195 WeakPolarHBondContact O-CA 3.45Å; V177-V196 PolarHBondContact O-N 3.13Å
178F98.9Very high97.2Very high0 Ų031.1 Ų31.10%019%0.188CC..EExtended strand (participates in β ladder)trans-105.8133.7163.1-70.7-100.3000109.1V12 I13 F14 D15 L19 L100 L176 V196 L218 F221V12-F178 HydrophobicContact CG1-CD2 3.52Å; V12-F178 HydrophobicContact CG1-CE2 3.49Å; V12-F178 VanDerWaalsContact CG1-CE2 3.49Å; I13-F178 PolarHBondContact O-N 3.19Å; F14-F178 HydrophobicContact CD1-CB 3.66Å; F14-F178 AromaticContact CD1-CD2 3.9Å; F14-F178 HydrophobicContact CD1-CD2 3.9Å; F14-F178 AromaticContact CD1-CG 3.91Å; F14-F178 HydrophobicContact CD1-CG 3.91Å; F14-F178 HydrophobicContact CE1-CB 3.99Å; F14-F178 HydrophobicContact CE1-CD1 4.36Å; F14-F178 AromaticContact CE1-CD2 3.47Å; F14-F178 HydrophobicContact CE1-CD2 3.47Å; F14-F178 VanDerWaalsContact CE1-CD2 3.47Å; F14-F178 AromaticContact CE1-CE2 3.99Å; F14-F178 HydrophobicContact CE1-CE2 3.99Å; F14-F178 AromaticContact CE1-CG 3.69Å; F14-F178 HydrophobicContact CE1-CG 3.69Å; F14-F178 HydrophobicContact CG-CB 4.49Å; F14-F178 AromaticContact CZ-CD2 3.9Å; F14-F178 HydrophobicContact CZ-CD2 3.9Å; F14-F178 HydrophobicContact CZ-CE2 4.09Å; D15-F178 PolarHBondContact N-O 3.13Å; L19-F178 HydrophobicContact CD1-CB 4.3Å; L19-F178 HydrophobicContact CD2-CB 3.59Å; L19-F178 WeakPolarHBondContact CD2-O 3.25Å; L19-F178 HydrophobicContact CG-CB 4.48Å; L100-F178 HydrophobicContact CD2-CD1 4.35Å; L100-F178 HydrophobicContact CD2-CE1 3.81Å; L100-F178 HydrophobicContact CD2-CE2 4.28Å; L100-F178 HydrophobicContact CD2-CZ 3.76Å; L176-F178 HydrophobicContact CD2-CE2 3.66Å; L176-F178 HydrophobicContact CD2-CZ 3.86Å; L176-F178 HydrophobicContact CG-CD2 4.47Å; L176-F178 HydrophobicContact CG-CE2 3.99Å; F178-V196 WeakPolarHBondContact CA-O 3.31Å; F178-V196 HydrophobicContact CD1-CB 3.74Å; F178-V196 HydrophobicContact CD1-CG1 3.88Å; F178-V196 HydrophobicContact CE1-CB 3.78Å; F178-V196 HydrophobicContact CE1-CG1 3.8Å; F178-V196 HydrophobicContact CE1-CG2 4.11Å; F178-V196 HydrophobicContact CG-CB 4.39Å; F178-V196 HydrophobicContact CZ-CB 4.44Å; F178-V196 HydrophobicContact CZ-CG2 4.37Å; F178-L218 HydrophobicContact CD1-CD2 3.59Å; F178-L218 HydrophobicContact CE1-CD2 3.98Å; F178-L218 HydrophobicContact CG-CD2 4.48Å; F178-F221 HydrophobicContact CE1-CD1 4.27Å; F178-F221 AromaticContact CE1-CD2 3.81Å; F178-F221 HydrophobicContact CE1-CD2 3.81Å; F178-F221 HydrophobicContact CE1-CE1 4.48Å; F178-F221 HydrophobicContact CE1-CE2 4.05Å; F178-F221 AromaticContact CE1-CG 3.92Å; F178-F221 HydrophobicContact CE1-CG 3.92Å; F178-F221 HydrophobicContact CE1-CZ 4.39Å; F178-F221 HydrophobicContact CE2-CZ 4.49Å; F178-F221 AromaticContact CZ-CD1 3.91Å; F178-F221 HydrophobicContact CZ-CD1 3.91Å; F178-F221 AromaticContact CZ-CD2 3.85Å; F178-F221 HydrophobicContact CZ-CD2 3.85Å; F178-F221 AromaticContact CZ-CE1 3.71Å; F178-F221 HydrophobicContact CZ-CE1 3.71Å; F178-F221 AromaticContact CZ-CE2 3.66Å; F178-F221 HydrophobicContact CZ-CE2 3.66Å; F178-F221 AromaticContact CZ-CG 3.97Å; F178-F221 HydrophobicContact CZ-CG 3.97Å; F178-F221 AromaticContact CZ-CZ 3.6Å; F178-F221 HydrophobicContact CZ-CZ 3.6Å
179E98.6Very high97.6Very high0 Ų028.3 Ų28.30%017%0.169CC..EExtended strand (participates in β ladder)trans-147.1154.6-174.7-98.1-77.8-174.300111.2D15 K152 Y158 V177 S181 G184 V185 V195 V196 M197 V198D15-E179 HydrophobicContact CB-CG 4.18Å; K152-E179 VanDerWaalsContact CE-OE1 3.28Å; K152-E179 WeakPolarHBondContact CE-OE1 3.23Å; K152-E179 IonicContact NZ-OE1 2.65Å; K152-E179 PolarHBondContact NZ-OE1 3.37Å; Y158-E179 VanDerWaalsContact OH-CD 3.28Å; Y158-E179 VanDerWaalsContact OH-CG 3.26Å; Y158-E179 WeakPolarHBondContact OH-CG 3.3Å; Y158-E179 PolarHBondContact OH-OE1 3.11Å; V177-E179 HydrophobicContact CG1-CG 3.85Å; E179-S181 PolarHBondContact OE2-N 2.97Å; E179-S181 PolarHBondContact OE2-OG 3.23Å; E179-G184 WeakPolarHBondContact OE1-CA 3.32Å; E179-V185 HydrophobicContact CB-CG2 4.05Å; E179-V195 HydrophobicContact CB-CG2 4.03Å; E179-V196 PolarHBondContact N-O 3.43Å; E179-M197 CarbonylContact O-C 3.43Å; E179-M197 WeakPolarHBondContact O-CA 3.4Å; E179-V198 PolarHBondContact O-N 3.23Å
180D97.6Very high97.9Very high21 Ų2132.1 Ų32.111%0.11217%0.17CC..SBendtrans-106.8-27.3170.176.3-51.1000111.5L19 M197 V198L19-D180 HydrophobicContact CB-CB 4.35Å; D180-M197 VanDerWaalsContact O-CE 3.23Å; D180-M197 WeakPolarHBondContact O-CE 3.45Å; D180-V198 WeakPolarHBondContact CA-O 3.43Å; D180-V198 WeakPolarHBondContact CB-O 3.38Å
181S96.4Very high98Very high35 Ų3531.6 Ų31.625%0.24517%0.167CC..SBendtrans-98.9148.8-16576.80000113.3E179 N183 G184 V185E179-S181 PolarHBondContact OE2-N 2.97Å; E179-S181 PolarHBondContact OE2-OG 3.23Å; S181-N183 VanDerWaalsContact C-N 3.33Å; S181-N183 PolarHBondContact O-N 3.11Å; S181-G184 PolarHBondContact O-N 3.38Å; S181-G184 PolarHBondContact OG-N 3.3Å; S181-V185 WeakPolarHBondContact O-CG2 3.36Å; S181-V185 PolarHBondContact O-N 2.85Å
182V96.2Very high98Very high29 Ų2926.3 Ų26.318%0.17616%0.157CC..Hα-helixtrans-59.5-44.7175176.60000111.3G184 V185 L186 M197 M203 H207V182-G184 VanDerWaalsContact C-N 3.29Å; V182-G184 PolarHBondContact O-N 3.05Å; V182-V185 PolarHBondContact O-N 3.38Å; V182-L186 HydrophobicContact CG1-CD1 4.09Å; V182-L186 HydrophobicContact CG1-CG 4.45Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.29Å; V182-L186 PolarHBondContact O-N 3.1Å; V182-M197 HydrophobicContact CG2-CE 4.25Å; V182-M203 HydrophobicContact CG2-CE 4.43Å; V182-M203 HydrophobicContact CG2-SD 4.47Å; V182-H207 HydrophobicContact CG2-CB 3.94Å
183N96.4Very high98Very high25 Ų2524.4 Ų24.413%0.13415%0.145CC..Hα-helixtrans-62.4-40.5-179.8-79.5-23.9000111.6G53 R54 K152 P153 S181 L186 A187G53-N183 WeakPolarHBondContact CA-OD1 3.46Å; G53-N183 PolarHBondContact O-OD1 3.07Å; G53-N183 VanDerWaalsContact O-OD1 3.14Å; R54-N183 PolarHBondContact O-ND2 3.19Å; K152-N183 HydrophobicContact CB-CB 3.98Å; P153-N183 VanDerWaalsContact CA-O 3.27Å; P153-N183 WeakPolarHBondContact CA-O 3.2Å; P153-N183 HydrophobicContact CB-CB 4.35Å; P153-N183 WeakPolarHBondContact CB-O 3.21Å; S181-N183 VanDerWaalsContact C-N 3.33Å; S181-N183 PolarHBondContact O-N 3.11Å; N183-L186 PolarHBondContact O-N 2.82Å; N183-A187 WeakPolarHBondContact O-CB 3.44Å; N183-A187 PolarHBondContact O-N 3.2Å
184G98.2Very high98.1Very high0 Ų022.1 Ų22.10%013%0.127CC..Hα-helixtrans-66.2-45.8176.800000114.7E179 S181 V182 L186 A187 A188E179-G184 WeakPolarHBondContact OE1-CA 3.32Å; S181-G184 PolarHBondContact O-N 3.38Å; S181-G184 PolarHBondContact OG-N 3.3Å; V182-G184 VanDerWaalsContact C-N 3.29Å; V182-G184 PolarHBondContact O-N 3.05Å; G184-L186 VanDerWaalsContact C-N 3.29Å; G184-L186 PolarHBondContact O-N 3.22Å; G184-A187 WeakPolarHBondContact O-CB 3.44Å; G184-A187 PolarHBondContact O-N 3.14Å; G184-A187 VanDerWaalsContact O-N 3.16Å; G184-A188 PolarHBondContact O-N 2.93Å
185V98.2Very high98.1Very high2 Ų220.6 Ų20.61%0.01212%0.116CC..Hα-helixtrans-55.8-46.5171.9168.40000110.9E179 S181 V182 A187 A188 V189 V195 M197 A210 A211E179-V185 HydrophobicContact CB-CG2 4.05Å; S181-V185 WeakPolarHBondContact O-CG2 3.36Å; S181-V185 PolarHBondContact O-N 2.85Å; V182-V185 PolarHBondContact O-N 3.38Å; V185-A187 PolarHBondContact O-N 3.32Å; V185-A188 PolarHBondContact O-N 3.44Å; V185-V189 HydrophobicContact CG1-CG2 4.43Å; V185-V189 WeakPolarHBondContact O-CB 3.36Å; V185-V189 VanDerWaalsContact O-CG2 3.27Å; V185-V189 WeakPolarHBondContact O-CG2 3.25Å; V185-V189 PolarHBondContact O-N 3.2Å; V185-V195 HydrophobicContact CG1-CG1 3.99Å; V185-V195 HydrophobicContact CG2-CG2 4.13Å; V185-M197 HydrophobicContact CG2-CB 3.85Å; V185-M197 HydrophobicContact CG2-CE 4.04Å; V185-M197 HydrophobicContact CG2-CG 3.63Å; V185-M197 HydrophobicContact CG2-SD 3.83Å; V185-A210 HydrophobicContact CG1-CB 3.76Å; V185-A211 HydrophobicContact CG1-CB 4.03Å; V185-A211 HydrophobicContact CG2-CB 4.5Å
186L97.7Very high98.1Very high52 Ų5220.6 Ų20.627%0.27212%0.116SC..Hα-helixtrans-63.4-40.5177.8-69.7175.7000112.3P153 V182 N183 G184 V189 R190 A210P153-L186 HydrophobicContact CB-CB 3.73Å; P153-L186 HydrophobicContact CB-CD1 4.26Å; V182-L186 HydrophobicContact CG1-CD1 4.09Å; V182-L186 HydrophobicContact CG1-CG 4.45Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.29Å; V182-L186 PolarHBondContact O-N 3.1Å; N183-L186 PolarHBondContact O-N 2.82Å; G184-L186 VanDerWaalsContact C-N 3.29Å; G184-L186 PolarHBondContact O-N 3.22Å; L186-V189 PolarHBondContact O-N 3.17Å; L186-R190 VanDerWaalsContact O-CB 3.29Å; L186-R190 WeakPolarHBondContact O-CB 3.42Å; L186-R190 WeakPolarHBondContact O-CD 3.46Å; L186-R190 WeakPolarHBondContact O-CG 3.49Å; L186-R190 PolarHBondContact O-N 2.95Å; L186-A210 HydrophobicContact CD2-CB 4.12Å
187A98.5Very high98.1Very high0 Ų020.6 Ų20.60%012%0.116CC..Hα-helixtrans-61.1-46.2175.800000111.8K152 P153 H154 Y158 N183 G184 V185 R190 A191K152-A187 HydrophobicContact CB-CB 4.28Å; K152-A187 HydrophobicContact CG-CB 4.1Å; P153-A187 WeakPolarHBondContact O-CA 3.46Å; H154-A187 WeakPolarHBondContact O-CB 3.38Å; Y158-A187 HydrophobicContact CD2-CB 3.75Å; Y158-A187 HydrophobicContact CE2-CB 3.86Å; N183-A187 WeakPolarHBondContact O-CB 3.44Å; N183-A187 PolarHBondContact O-N 3.2Å; G184-A187 WeakPolarHBondContact O-CB 3.44Å; G184-A187 PolarHBondContact O-N 3.14Å; G184-A187 VanDerWaalsContact O-N 3.16Å; V185-A187 PolarHBondContact O-N 3.32Å; A187-R190 PolarHBondContact O-N 3.31Å; A187-A191 WeakPolarHBondContact O-CB 3.24Å; A187-A191 PolarHBondContact O-N 3.42Å
188A98.7Very high98Very high0 Ų021 Ų210%012%0.119CC..Hα-helixtrans-63.9-44.8178.600000112.2Y158 V177 G184 V185 R190 A191 G192 M193 V195Y158-A188 HydrophobicContact CD2-CB 4.11Å; Y158-A188 HydrophobicContact CE2-CB 4.13Å; V177-A188 HydrophobicContact CB-CB 3.74Å; V177-A188 HydrophobicContact CG1-CB 3.89Å; V177-A188 HydrophobicContact CG2-CB 3.76Å; G184-A188 PolarHBondContact O-N 2.93Å; V185-A188 PolarHBondContact O-N 3.44Å; A188-R190 PolarHBondContact O-N 3.27Å; A188-A191 WeakPolarHBondContact O-CB 3.43Å; A188-A191 PolarHBondContact O-N 2.93Å; A188-G192 PolarHBondContact O-N 3.4Å; A188-M193 PolarHBondContact O-N 2.75Å; A188-M193 VanDerWaalsContact O-N 3.11Å; A188-V195 HydrophobicContact CB-CB 3.85Å; A188-V195 HydrophobicContact CB-CG1 4.41Å; A188-V195 HydrophobicContact CB-CG2 4.03Å
189V98.2Very high97.9Very high55 Ų5521.4 Ų21.433%0.33312%0.121SC..Hα-helixtrans-61.4-45.4176.4169.80000110.9V185 L186 A191 G192 V195 A210V185-V189 HydrophobicContact CG1-CG2 4.43Å; V185-V189 WeakPolarHBondContact O-CB 3.36Å; V185-V189 VanDerWaalsContact O-CG2 3.27Å; V185-V189 WeakPolarHBondContact O-CG2 3.25Å; V185-V189 PolarHBondContact O-N 3.2Å; L186-V189 PolarHBondContact O-N 3.17Å; V189-A191 PolarHBondContact O-N 3.29Å; V189-G192 PolarHBondContact O-N 3.11Å; V189-V195 HydrophobicContact CG2-CG1 3.87Å; V189-A210 WeakPolarHBondContact CG2-O 3.26Å
190R98.4Very high97.7Very high138 Ų13823 Ų2352%0.52113%0.13SC..Hα-helixtrans-66.3-25.8177.6-72.4166.5-179.8-177.7-1.2112.8P153 P155 L186 A187 A188 G192P153-R190 WeakPolarHBondContact O-CD 3.22Å; P153-R190 PolarHBondContact O-NH1 2.81Å; P155-R190 HydrophobicContact CB-CB 3.97Å; P155-R190 HydrophobicContact CG-CB 4.26Å; L186-R190 VanDerWaalsContact O-CB 3.29Å; L186-R190 WeakPolarHBondContact O-CB 3.42Å; L186-R190 WeakPolarHBondContact O-CD 3.46Å; L186-R190 WeakPolarHBondContact O-CG 3.49Å; L186-R190 PolarHBondContact O-N 2.95Å; A187-R190 PolarHBondContact O-N 3.31Å; A188-R190 PolarHBondContact O-N 3.27Å; R190-G192 PolarHBondContact O-N 2.94Å
191A98.4Very high97.6Very high7 Ų727.3 Ų27.36%0.05816%0.159CC..THydrogen-bonded Turntrans-75.2-7.7172.800000112.8P155 L159 P172 A187 A188 V189 M193P155-A191 HydrophobicContact CB-CB 3.76Å; L159-A191 HydrophobicContact CD2-CB 3.95Å; L159-A191 HydrophobicContact CG-CB 3.98Å; P172-A191 WeakPolarHBondContact CB-O 3.29Å; A187-A191 WeakPolarHBondContact O-CB 3.24Å; A187-A191 PolarHBondContact O-N 3.42Å; A188-A191 WeakPolarHBondContact O-CB 3.43Å; A188-A191 PolarHBondContact O-N 2.93Å; V189-A191 PolarHBondContact O-N 3.29Å; A191-M193 HydrophobicContact CB-CE 4.17Å; A191-M193 HydrophobicContact CB-CG 4Å; A191-M193 HydrophobicContact CB-SD 4.18Å
192G98.1Very high97.4Very high45 Ų4530.5 Ų30.546%0.46417%0.165SC..THydrogen-bonded Turntrans78.820.6-176.100000113.7P172 S173 A188 V189 R190P172-G192 CarbonylContact C-O 3.38Å; S173-G192 WeakPolarHBondContact CA-O 3.38Å; S173-G192 PolarHBondContact N-O 3.47Å; A188-G192 PolarHBondContact O-N 3.4Å; V189-G192 PolarHBondContact O-N 3.11Å; R190-G192 PolarHBondContact O-N 2.94Å
193M98.5Very high97.3Very high9 Ų929.7 Ų29.74%0.04416%0.16CC..  trans-96.7160179.9-56.3-178.2176.200111.2I13 Y158 A162 P172 V175 V177 A188 A191I13-M193 HydrophobicContact CD1-CE 4.49Å; I13-M193 HydrophobicContact CD1-SD 4.48Å; Y158-M193 WeakPolarHBondContact O-CE 3.14Å; A162-M193 HydrophobicContact CB-CE 3.63Å; P172-M193 HydrophobicContact CB-CE 4.32Å; P172-M193 HydrophobicContact CB-CG 4.03Å; P172-M193 WeakPolarHBondContact O-CA 3.48Å; P172-M193 WeakPolarHBondContact O-CG 3.49Å; V175-M193 HydrophobicContact CB-CB 4.46Å; V175-M193 HydrophobicContact CB-CE 4.24Å; V175-M193 HydrophobicContact CB-CG 4.03Å; V175-M193 HydrophobicContact CB-SD 3.89Å; V175-M193 HydrophobicContact CG1-CE 4.27Å; V175-M193 HydrophobicContact CG1-CG 4.44Å; V175-M193 HydrophobicContact CG1-SD 3.71Å; V175-M193 HydrophobicContact CG2-CE 4.28Å; V177-M193 HydrophobicContact CG2-CB 4.09Å; V177-M193 HydrophobicContact CG2-SD 3.6Å; A188-M193 PolarHBondContact O-N 2.75Å; A188-M193 VanDerWaalsContact O-N 3.11Å; A191-M193 HydrophobicContact CB-CE 4.17Å; A191-M193 HydrophobicContact CB-CG 4Å; A191-M193 HydrophobicContact CB-SD 4.18Å
194Q98.2Very high97.1Very high15 Ų1532.9 Ų32.97%0.0718%0.177CC..EExtended strand (participates in β ladder)trans-82147.3165.9-68.2-176.199.900109.3K7 V175 L176 V177 T212 F226K7-Q194 PolarHBondContact O-NE2 2.9Å; V175-Q194 PolarHBondContact O-N 3.35Å; V175-Q194 VanDerWaalsContact O-N 3.13Å; L176-Q194 CarbonylContact C-O 3.55Å; L176-Q194 WeakPolarHBondContact CA-O 3.24Å; L176-Q194 HydrophobicContact CD1-CB 3.71Å; V177-Q194 PolarHBondContact N-O 3.44Å; Q194-T212 WeakPolarHBondContact CA-OG1 3.47Å; Q194-T212 HydrophobicContact CB-CG2 4.32Å; Q194-T212 HydrophobicContact CG-CG2 4.32Å; Q194-F226 HydrophobicContact CB-CE1 4.23Å
195V98.6Very high96.7Very high0 Ų038.6 Ų38.60%021%0.208CC..EExtended strand (participates in β ladder)trans-135.7129.5179.862.90000112.5V177 E179 V185 A188 V189 A211 T212 Q213V177-V195 HydrophobicContact CB-CB 4.28Å; V177-V195 HydrophobicContact CB-CG2 4.1Å; V177-V195 HydrophobicContact CG1-CG2 4.19Å; V177-V195 CarbonylContact O-C 3.52Å; V177-V195 VanDerWaalsContact O-CA 3.24Å; V177-V195 WeakPolarHBondContact O-CA 3.45Å; E179-V195 HydrophobicContact CB-CG2 4.03Å; V185-V195 HydrophobicContact CG1-CG1 3.99Å; V185-V195 HydrophobicContact CG2-CG2 4.13Å; A188-V195 HydrophobicContact CB-CB 3.85Å; A188-V195 HydrophobicContact CB-CG1 4.41Å; A188-V195 HydrophobicContact CB-CG2 4.03Å; V189-V195 HydrophobicContact CG2-CG1 3.87Å; V195-A211 HydrophobicContact CG1-CB 4.22Å; V195-T212 PolarHBondContact N-OG1 3.12Å; V195-T212 VanDerWaalsContact N-OG1 3.09Å; V195-T212 WeakPolarHBondContact O-CA 3.42Å; V195-T212 VanDerWaalsContact O-CB 3.22Å; V195-T212 WeakPolarHBondContact O-CB 3.44Å; V195-T212 PolarHBondContact O-N 3.19Å; V195-Q213 PolarHBondContact O-N 2.78Å; V195-Q213 VanDerWaalsContact O-N 3.16Å
196V98.6Very high96.3Very high0 Ų041.9 Ų41.90%024%0.235CC..EExtended strand (participates in β ladder)trans-97.1118.8167.71780000107.8L176 V177 F178 E179 V198 Q213 L215 F221 F226L176-V196 HydrophobicContact CD1-CG2 3.92Å; L176-V196 HydrophobicContact CD2-CG2 4.23Å; L176-V196 HydrophobicContact CG-CG2 4.33Å; V177-V196 PolarHBondContact O-N 3.13Å; F178-V196 WeakPolarHBondContact CA-O 3.31Å; F178-V196 HydrophobicContact CD1-CB 3.74Å; F178-V196 HydrophobicContact CD1-CG1 3.88Å; F178-V196 HydrophobicContact CE1-CB 3.78Å; F178-V196 HydrophobicContact CE1-CG1 3.8Å; F178-V196 HydrophobicContact CE1-CG2 4.11Å; F178-V196 HydrophobicContact CG-CB 4.39Å; F178-V196 HydrophobicContact CZ-CB 4.44Å; F178-V196 HydrophobicContact CZ-CG2 4.37Å; E179-V196 PolarHBondContact N-O 3.43Å; V196-V198 HydrophobicContact CG1-CG2 4.35Å; V196-Q213 CarbonylContact C-O 3.55Å; V196-Q213 WeakPolarHBondContact CA-O 3.37Å; V196-Q213 HydrophobicContact CG2-CB 4.41Å; V196-L215 HydrophobicContact CG1-CD1 3.58Å; V196-L215 HydrophobicContact CG1-CG 3.96Å; V196-F221 HydrophobicContact CG1-CD2 4.41Å; V196-F221 HydrophobicContact CG2-CD2 4.17Å; V196-F221 HydrophobicContact CG2-CE2 3.88Å; V196-F226 HydrophobicContact CG2-CE2 3.88Å; V196-F226 HydrophobicContact CG2-CZ 3.77Å
197M98.4Very high96Very high0 Ų042.8 Ų42.80%024%0.238CC..EExtended strand (participates in β ladder)trans-96.1125.8177.1-168.2-173-161.700110.7E179 D180 V182 V185 P199 M203 R208 A211 Q213 S214 L215E179-M197 CarbonylContact O-C 3.43Å; E179-M197 WeakPolarHBondContact O-CA 3.4Å; D180-M197 VanDerWaalsContact O-CE 3.23Å; D180-M197 WeakPolarHBondContact O-CE 3.45Å; V182-M197 HydrophobicContact CG2-CE 4.25Å; V185-M197 HydrophobicContact CG2-CB 3.85Å; V185-M197 HydrophobicContact CG2-CE 4.04Å; V185-M197 HydrophobicContact CG2-CG 3.63Å; V185-M197 HydrophobicContact CG2-SD 3.83Å; M197-P199 HydrophobicContact CE-CB 4.07Å; M197-P199 HydrophobicContact CG-CB 4.33Å; M197-P199 HydrophobicContact CG-CG 4.37Å; M197-P199 WeakPolarHBondContact O-CD 3.22Å; M197-P199 HydrophobicContact SD-CB 4.39Å; M197-P199 HydrophobicContact SD-CG 4.42Å; M197-M203 HydrophobicContact CE-CE 3.94Å; M197-M203 HydrophobicContact CE-SD 3.5Å; M197-M203 VanDerWaalsContact CE-SD 3.5Å; M197-R208 HydrophobicContact SD-CB 4.12Å; M197-R208 HydrophobicContact SD-CG 4.15Å; M197-A211 HydrophobicContact CB-CB 3.67Å; M197-Q213 PolarHBondContact N-O 3.33Å; M197-S214 CarbonylContact O-C 3.53Å; M197-S214 VanDerWaalsContact O-CA 3.24Å; M197-S214 WeakPolarHBondContact O-CA 3.44Å; M197-S214 PolarHBondContact O-OG 2.63Å; M197-L215 PolarHBondContact O-N 3.13Å
198V98.3Very high95.7Very high8 Ų844.2 Ų44.25%0.04824%0.243CC..  trans-11979.6170.7-170.40000108.1L19 E179 D180 V196 L215 L218L19-V198 HydrophobicContact CD1-CB 3.88Å; L19-V198 HydrophobicContact CD1-CG2 4.11Å; E179-V198 PolarHBondContact O-N 3.23Å; D180-V198 WeakPolarHBondContact CA-O 3.43Å; D180-V198 WeakPolarHBondContact CB-O 3.38Å; V196-V198 HydrophobicContact CG1-CG2 4.35Å; V198-L215 HydrophobicContact CG2-CB 4.34Å; V198-L218 HydrophobicContact CG2-CD2 3.81Å; V198-L218 HydrophobicContact CG2-CG 4.26Å
199P96.6Very high95.4Very high9 Ų949.7 Ų49.76%0.05827%0.272CS..  trans-80.1171-174.134.4-34.2000112.2M197 M203 R208 L215M197-P199 HydrophobicContact CE-CB 4.07Å; M197-P199 HydrophobicContact CG-CB 4.33Å; M197-P199 HydrophobicContact CG-CG 4.37Å; M197-P199 WeakPolarHBondContact O-CD 3.22Å; M197-P199 HydrophobicContact SD-CB 4.39Å; M197-P199 HydrophobicContact SD-CG 4.42Å; P199-M203 HydrophobicContact CB-CB 4.1Å; P199-M203 HydrophobicContact CB-CE 3.68Å; P199-M203 HydrophobicContact CB-CG 4.41Å; P199-M203 HydrophobicContact CB-SD 3.5Å; P199-M203 VanDerWaalsContact CB-SD 3.5Å; P199-M203 HydrophobicContact CG-SD 4.24Å; P199-R208 HydrophobicContact CG-CG 4.24Å; P199-L215 WeakPolarHBondContact CD-O 3.45Å
200D94.5Very high95.2Very high33 Ų3348.6 Ų48.618%0.17627%0.268CS..  trans-49.1133162.9-169.7-62.1000110.5W45 R202 M203W45-D200 HydrophobicContact CH2-CB 4.06Å; W45-D200 HydrophobicContact CZ3-CB 4.3Å; D200-R202 PolarHBondContact O-N 3.47Å; D200-R202 VanDerWaalsContact OD1-CB 3.25Å; D200-R202 WeakPolarHBondContact OD1-CB 3.36Å; D200-R202 WeakPolarHBondContact OD1-CG 3.48Å; D200-R202 IonicContact OD1-CZ 3.72Å; D200-R202 PolarHBondContact OD1-N 2.77Å; D200-R202 IonicContact OD1-NE 3.83Å; D200-R202 PolarHBondContact OD1-NE 2.99Å; D200-R202 IonicContact OD1-NH2 2.76Å; D200-R202 IonicContact OD2-CZ 2.65Å; D200-R202 IonicContact OD2-NE 3.76Å; D200-R202 PolarHBondContact OD2-NE 3.1Å; D200-R202 IonicContact OD2-NH2 2.63Å; D200-R202 PolarHBondContact OD2-NH2 3.11Å; D200-M203 VanDerWaalsContact O-CB 3.24Å; D200-M203 WeakPolarHBondContact O-CB 3.45Å; D200-M203 PolarHBondContact O-N 3.49Å
201P93.5Very high95.1Very high111 Ų11142.5 Ų42.572%0.72125%0.247SC*.THydrogen-bonded Turntrans-59.2-23.1-17723.5-35000113.5M203P201-M203 VanDerWaalsContact C-N 3.3Å
202R93.5Very high95Very high102 Ų10243.4 Ų43.439%0.38525%0.252SS..THydrogen-bonded Turntrans-78.6-10.4177.7-57.6169.3-71.61792.4113.2E28 W45 D200E28-R202 IonicContact OE1-CZ 3.13Å; E28-R202 IonicContact OE1-NH1 2.82Å; E28-R202 IonicContact OE1-NH2 2.8Å; E28-R202 PolarHBondContact OE1-NH2 3.45Å; E28-R202 IonicContact OE2-NH1 3.58Å; E28-R202 IonicContact OE2-NH2 3.47Å; W45-R202 HydrophobicContact CD2-CB 3.88Å; W45-R202 VanDerWaalsContact CE2-CB 3.44Å; W45-R202 HydrophobicContact CE3-CB 4.2Å; W45-R202 HydrophobicContact CH2-CB 3.74Å; W45-R202 HydrophobicContact CZ2-CB 3.41Å; W45-R202 VanDerWaalsContact CZ2-CB 3.41Å; W45-R202 VanDerWaalsContact CZ2-O 3.23Å; W45-R202 WeakPolarHBondContact CZ2-O 3.44Å; W45-R202 HydrophobicContact CZ3-CB 4.12Å; D200-R202 PolarHBondContact O-N 3.47Å; D200-R202 VanDerWaalsContact OD1-CB 3.25Å; D200-R202 WeakPolarHBondContact OD1-CB 3.36Å; D200-R202 WeakPolarHBondContact OD1-CG 3.48Å; D200-R202 IonicContact OD1-CZ 3.72Å; D200-R202 PolarHBondContact OD1-N 2.77Å; D200-R202 IonicContact OD1-NE 3.83Å; D200-R202 PolarHBondContact OD1-NE 2.99Å; D200-R202 IonicContact OD1-NH2 2.76Å; D200-R202 IonicContact OD2-CZ 2.65Å; D200-R202 IonicContact OD2-NE 3.76Å; D200-R202 PolarHBondContact OD2-NE 3.1Å; D200-R202 IonicContact OD2-NH2 2.63Å; D200-R202 PolarHBondContact OD2-NH2 3.11Å
203M93.7Very high95Very high12 Ų1243.8 Ų43.86%0.05924%0.242CC..SBendtrans-71.2127.2-178.2-175.3-174.4-67.700111.9M52 V182 M197 P199 D200 P201 H207 R208M52-M203 HydrophobicContact CE-CB 4.49Å; M52-M203 HydrophobicContact CE-CE 3.91Å; M52-M203 HydrophobicContact CE-CG 4.33Å; M52-M203 HydrophobicContact SD-CE 4.09Å; M52-M203 HydrophobicContact SD-CG 4.34Å; V182-M203 HydrophobicContact CG2-CE 4.43Å; V182-M203 HydrophobicContact CG2-SD 4.47Å; M197-M203 HydrophobicContact CE-CE 3.94Å; M197-M203 HydrophobicContact CE-SD 3.5Å; M197-M203 VanDerWaalsContact CE-SD 3.5Å; P199-M203 HydrophobicContact CB-CB 4.1Å; P199-M203 HydrophobicContact CB-CE 3.68Å; P199-M203 HydrophobicContact CB-CG 4.41Å; P199-M203 HydrophobicContact CB-SD 3.5Å; P199-M203 VanDerWaalsContact CB-SD 3.5Å; P199-M203 HydrophobicContact CG-SD 4.24Å; D200-M203 VanDerWaalsContact O-CB 3.24Å; D200-M203 WeakPolarHBondContact O-CB 3.45Å; D200-M203 PolarHBondContact O-N 3.49Å; P201-M203 VanDerWaalsContact C-N 3.3Å; M203-H207 HydrophobicContact CG-CB 3.84Å; M203-H207 HydrophobicContact SD-CB 3.75Å; M203-R208 VanDerWaalsContact O-CZ 3.29Å; M203-R208 PolarHBondContact O-NE 3.01Å; M203-R208 PolarHBondContact O-NH2 3.24Å; M203-R208 HydrophobicContact SD-CG 4.27Å
204D91.8Very high94.9Very high92 Ų9245.4 Ų45.449%0.49225%0.254SS..  trans-65.4149.9177.8-65.2-31.9000113.6A206 H207D204-A206 PolarHBondContact O-N 3.17Å; D204-A206 VanDerWaalsContact O-N 3.1Å; D204-H207 PolarHBondContact O-N 2.9Å; D204-H207 VanDerWaalsContact O-N 3.09Å
205N90Very high94.8Very high121 Ų12145.6 Ų45.665%0.64726%0.255SS*.G310 helixtrans-56.6-29179.7-74.5-27.1000114H207 R208N205-H207 PolarHBondContact O-N 3.43Å; N205-R208 PolarHBondContact O-N 3.13Å
206A90.8Very high94.8Very high71 Ų7151.3 Ų51.359%0.58729%0.286SS*.G310 helixtrans-58.7-33.3178.600000112.8D204 R208D204-A206 PolarHBondContact O-N 3.17Å; D204-A206 VanDerWaalsContact O-N 3.1Å; A206-R208 VanDerWaalsContact C-N 3.31Å; A206-R208 PolarHBondContact O-N 3.16Å
207H90Very high94.7Very high70 Ų7052.4 Ų52.432%0.32429%0.294SS..G310 helixtrans-81.6-9.9179.5-63.1100.5000113.3V182 M203 D204 N205V182-H207 HydrophobicContact CG2-CB 3.94Å; M203-H207 HydrophobicContact CG-CB 3.84Å; M203-H207 HydrophobicContact SD-CB 3.75Å; D204-H207 PolarHBondContact O-N 2.9Å; D204-H207 VanDerWaalsContact O-N 3.09Å; N205-H207 PolarHBondContact O-N 3.43Å
208R92.6Very high94.8Very high31 Ų3152.5 Ų52.512%0.11729%0.294CS..G310 helixtrans-95.2-13.3-176.4-52.3-179.9-173.2-156.32.9113.3M197 P199 M203 N205 A206 A210 A211 S214M197-R208 HydrophobicContact SD-CB 4.12Å; M197-R208 HydrophobicContact SD-CG 4.15Å; P199-R208 HydrophobicContact CG-CG 4.24Å; M203-R208 VanDerWaalsContact O-CZ 3.29Å; M203-R208 PolarHBondContact O-NE 3.01Å; M203-R208 PolarHBondContact O-NH2 3.24Å; M203-R208 HydrophobicContact SD-CG 4.27Å; N205-R208 PolarHBondContact O-N 3.13Å; A206-R208 VanDerWaalsContact C-N 3.31Å; A206-R208 PolarHBondContact O-N 3.16Å; R208-A210 PolarHBondContact O-N 3.32Å; R208-A210 VanDerWaalsContact O-N 3.14Å; R208-A211 WeakPolarHBondContact O-CB 3.48Å; R208-A211 PolarHBondContact O-N 3.43Å; R208-A211 VanDerWaalsContact O-N 3.15Å; R208-S214 WeakPolarHBondContact CD-OG 3.32Å
209L91.7Very high94.8Very high115 Ų11556 Ų5660%0.60231%0.312SS*.THydrogen-bonded Turntrans-63.1-24.2-167.6-63.3178.2000114.9A211L209-A211 VanDerWaalsContact C-N 3.31Å
210A94.3Very high94.8Very high31 Ų3159.4 Ų59.426%0.25633%0.33SS..THydrogen-bonded Turntrans-74.1-23.4-179.600000112.8R4 V185 L186 V189 R208R4-A210 PolarHBondContact NH1-O 2.62Å; V185-A210 HydrophobicContact CG1-CB 3.76Å; L186-A210 HydrophobicContact CD2-CB 4.12Å; V189-A210 WeakPolarHBondContact CG2-O 3.26Å; R208-A210 PolarHBondContact O-N 3.32Å; R208-A210 VanDerWaalsContact O-N 3.14Å
211A96.8Very high95Very high10 Ų1058 Ų588%0.08332%0.322CS..SBendtrans-68.5156.8-175.300000112.8R4 V185 V195 M197 R208 L209 Q213R4-A211 PolarHBondContact NH1-O 3.2Å; V185-A211 HydrophobicContact CG1-CB 4.03Å; V185-A211 HydrophobicContact CG2-CB 4.5Å; V195-A211 HydrophobicContact CG1-CB 4.22Å; M197-A211 HydrophobicContact CB-CB 3.67Å; R208-A211 WeakPolarHBondContact O-CB 3.48Å; R208-A211 PolarHBondContact O-N 3.43Å; R208-A211 VanDerWaalsContact O-N 3.15Å; L209-A211 VanDerWaalsContact C-N 3.31Å; A211-Q213 WeakPolarHBondContact CB-O 3.43Å
212T97Very high95.2Very high26 Ų2658.9 Ų58.916%0.1632%0.315CS..SBendtrans-69.9-42.3170.5-57.70000110.2L6 Q194 V195 F226L6-T212 HydrophobicContact CD2-CG2 3.49Å; L6-T212 VanDerWaalsContact CD2-CG2 3.49Å; Q194-T212 WeakPolarHBondContact CA-OG1 3.47Å; Q194-T212 HydrophobicContact CB-CG2 4.32Å; Q194-T212 HydrophobicContact CG-CG2 4.32Å; V195-T212 PolarHBondContact N-OG1 3.12Å; V195-T212 VanDerWaalsContact N-OG1 3.09Å; V195-T212 WeakPolarHBondContact O-CA 3.42Å; V195-T212 VanDerWaalsContact O-CB 3.22Å; V195-T212 WeakPolarHBondContact O-CB 3.44Å; V195-T212 PolarHBondContact O-N 3.19Å; T212-F226 HydrophobicContact CG2-CE1 4.16Å; T212-F226 HydrophobicContact CG2-CZ 4.45Å
213Q96.6Very high95.5Very high53 Ų5354 Ų5425%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-142.3146.3172.6-176176.751.100108.3V195 V196 M197 A211 L215 F226V195-Q213 PolarHBondContact O-N 2.78Å; V195-Q213 VanDerWaalsContact O-N 3.16Å; V196-Q213 CarbonylContact C-O 3.55Å; V196-Q213 WeakPolarHBondContact CA-O 3.37Å; V196-Q213 HydrophobicContact CG2-CB 4.41Å; M197-Q213 PolarHBondContact N-O 3.33Å; A211-Q213 WeakPolarHBondContact CB-O 3.43Å; Q213-L215 HydrophobicContact CG-CD2 3.92Å; Q213-L215 HydrophobicContact CG-CG 4.24Å; Q213-F226 HydrophobicContact CB-CZ 4.32Å
214S97Very high95.7Very high43 Ų4358 Ų5830%0.30132%0.315SS..EExtended strand (participates in β ladder)trans-122.3135.9168.8-178.20000109.7M197 R208M197-S214 CarbonylContact O-C 3.53Å; M197-S214 VanDerWaalsContact O-CA 3.24Å; M197-S214 WeakPolarHBondContact O-CA 3.44Å; M197-S214 PolarHBondContact O-OG 2.63Å; R208-S214 WeakPolarHBondContact CD-OG 3.32Å
215L97.3Very high95.9Very high19 Ų1955.4 Ų55.410%0.09931%0.306CS..  trans-126.5161.2-176.9-56.8176.5000109.7V196 M197 V198 P199 Q213 D220 F221V196-L215 HydrophobicContact CG1-CD1 3.58Å; V196-L215 HydrophobicContact CG1-CG 3.96Å; M197-L215 PolarHBondContact O-N 3.13Å; V198-L215 HydrophobicContact CG2-CB 4.34Å; P199-L215 WeakPolarHBondContact CD-O 3.45Å; Q213-L215 HydrophobicContact CG-CD2 3.92Å; Q213-L215 HydrophobicContact CG-CG 4.24Å; L215-D220 HydrophobicContact CB-CB 4.36Å; L215-D220 HydrophobicContact CD2-CB 4.29Å; L215-F221 HydrophobicContact CD1-CB 3.78Å; L215-F221 HydrophobicContact CD1-CD2 4.06Å; L215-F221 HydrophobicContact CD1-CG 4.43Å
216N96.8Very high96.3Very high121 Ų12149.7 Ų49.765%0.64728%0.276SS*.SBendtrans-88-23.5174.8-63.6-38.2000112
217S98.2Very high96.6Very high23 Ų2348.8 Ų48.816%0.16127%0.274CS..  trans-149.3155.4177.2-177.20000111.1P95 L219 D220P95-S217 PolarHBondContact O-OG 2.96Å; S217-L219 PolarHBondContact O-N 3.47Å; S217-L219 WeakPolarHBondContact OG-CB 3.46Å; S217-L219 PolarHBondContact OG-N 3.04Å; S217-D220 PolarHBondContact N-OD2 3.12Å; S217-D220 VanDerWaalsContact N-OD2 3.1Å; S217-D220 WeakPolarHBondContact O-CB 3.43Å; S217-D220 PolarHBondContact O-N 3.41Å
218L98.7Very high97Very high2 Ų245.8 Ų45.81%0.0126%0.26CS..G310 helixtrans-61.3-18.3164.4-64.1170.1000111.5L19 L20 P95 A97 L100 F178 V198 D220 F221L19-L218 HydrophobicContact CD1-CD1 4.47Å; L19-L218 HydrophobicContact CD1-CD2 4.09Å; L19-L218 HydrophobicContact CD1-CG 4.47Å; L20-L218 HydrophobicContact CD2-CD1 4.2Å; P95-L218 WeakPolarHBondContact O-CB 3.15Å; A97-L218 HydrophobicContact CB-CD1 3.96Å; L100-L218 HydrophobicContact CD2-CD2 3.97Å; F178-L218 HydrophobicContact CD1-CD2 3.59Å; F178-L218 HydrophobicContact CE1-CD2 3.98Å; F178-L218 HydrophobicContact CG-CD2 4.48Å; V198-L218 HydrophobicContact CG2-CD2 3.81Å; V198-L218 HydrophobicContact CG2-CG 4.26Å; L218-D220 PolarHBondContact O-N 3.22Å; L218-F221 PolarHBondContact O-N 2.86Å
219L98.3Very high97.3Very high80 Ų8046.1 Ų46.142%0.41927%0.266SS..G310 helixtrans-64.4-25.7172-67.9173.6000113.5P95 R99 S217P95-L219 HydrophobicContact CB-CD1 3.87Å; P95-L219 HydrophobicContact CB-CG 4.25Å; R99-L219 VanDerWaalsContact NH2-C 3.34Å; R99-L219 PolarHBondContact NH2-O 3.48Å; S217-L219 PolarHBondContact O-N 3.47Å; S217-L219 WeakPolarHBondContact OG-CB 3.46Å; S217-L219 PolarHBondContact OG-N 3.04Å
220D98.2Very high97.6Very high81 Ų8144.2 Ų44.243%0.43326%0.261SS..G310 helixtrans-88.8-6.2-176.9-55.4-38000112.7L215 S217 L218L215-D220 HydrophobicContact CB-CB 4.36Å; L215-D220 HydrophobicContact CD2-CB 4.29Å; S217-D220 PolarHBondContact N-OD2 3.12Å; S217-D220 VanDerWaalsContact N-OD2 3.1Å; S217-D220 WeakPolarHBondContact O-CB 3.43Å; S217-D220 PolarHBondContact O-N 3.41Å; L218-D220 PolarHBondContact O-N 3.22Å
221F98.4Very high97.8Very high4 Ų445.4 Ų45.42%0.01826%0.26CS..  trans-67.5137.9-178.1-179.3-112.4000111.1L100 L176 F178 V196 L215 L218 P223 F226 L228 F231L100-F221 HydrophobicContact CD1-CD1 3.71Å; L100-F221 HydrophobicContact CD1-CE1 3.96Å; L100-F221 HydrophobicContact CD2-CD1 4.3Å; L176-F221 HydrophobicContact CD2-CE2 3.99Å; L176-F221 HydrophobicContact CD2-CZ 3.71Å; F178-F221 HydrophobicContact CE1-CD1 4.27Å; F178-F221 AromaticContact CE1-CD2 3.81Å; F178-F221 HydrophobicContact CE1-CD2 3.81Å; F178-F221 HydrophobicContact CE1-CE1 4.48Å; F178-F221 HydrophobicContact CE1-CE2 4.05Å; F178-F221 AromaticContact CE1-CG 3.92Å; F178-F221 HydrophobicContact CE1-CG 3.92Å; F178-F221 HydrophobicContact CE1-CZ 4.39Å; F178-F221 HydrophobicContact CE2-CZ 4.49Å; F178-F221 AromaticContact CZ-CD1 3.91Å; F178-F221 HydrophobicContact CZ-CD1 3.91Å; F178-F221 AromaticContact CZ-CD2 3.85Å; F178-F221 HydrophobicContact CZ-CD2 3.85Å; F178-F221 AromaticContact CZ-CE1 3.71Å; F178-F221 HydrophobicContact CZ-CE1 3.71Å; F178-F221 AromaticContact CZ-CE2 3.66Å; F178-F221 HydrophobicContact CZ-CE2 3.66Å; F178-F221 AromaticContact CZ-CG 3.97Å; F178-F221 HydrophobicContact CZ-CG 3.97Å; F178-F221 AromaticContact CZ-CZ 3.6Å; F178-F221 HydrophobicContact CZ-CZ 3.6Å; V196-F221 HydrophobicContact CG1-CD2 4.41Å; V196-F221 HydrophobicContact CG2-CD2 4.17Å; V196-F221 HydrophobicContact CG2-CE2 3.88Å; L215-F221 HydrophobicContact CD1-CB 3.78Å; L215-F221 HydrophobicContact CD1-CD2 4.06Å; L215-F221 HydrophobicContact CD1-CG 4.43Å; L218-F221 PolarHBondContact O-N 2.86Å; F221-P223 HydrophobicContact CD1-CG 3.94Å; F221-P223 HydrophobicContact CE1-CB 3.96Å; F221-P223 HydrophobicContact CE1-CG 3.77Å; F221-F226 AromaticContact CE2-CD2 3.53Å; F221-F226 HydrophobicContact CE2-CD2 3.53Å; F221-F226 AromaticContact CE2-CE2 3.61Å; F221-F226 HydrophobicContact CE2-CE2 3.61Å; F221-F226 AromaticContact CZ-CD2 3.84Å; F221-F226 HydrophobicContact CZ-CD2 3.84Å; F221-F226 HydrophobicContact CZ-CE2 4.37Å; F221-L228 HydrophobicContact CZ-CD1 4.41Å; F221-F231 WeakPolarHBondContact O-CE2 3.19Å
222K98Very high97.3Very high129 Ų12955.3 Ų55.356%0.56131%0.305SS*.  trans-11896.9177.6-67.7-172.1-178.3-175.70109.3E224 A225K222-E224 PolarHBondContact O-N 2.67Å; K222-A225 HydrophobicContact CB-CB 4.37Å; K222-A225 VanDerWaalsContact O-CB 3.25Å; K222-A225 WeakPolarHBondContact O-CB 3.45Å; K222-A225 PolarHBondContact O-N 3.38Å; K222-A225 VanDerWaalsContact O-N 3.08Å
223P98.4Very high97.3Very high0 Ų056.8 Ų56.80%031%0.312CS..G310 helixtrans-53.4-38.5-174.9-26.834000113.9F221 A225 F226 G227 L228 P229 F231F221-P223 HydrophobicContact CD1-CG 3.94Å; F221-P223 HydrophobicContact CE1-CB 3.96Å; F221-P223 HydrophobicContact CE1-CG 3.77Å; P223-A225 PolarHBondContact O-N 3.42Å; P223-A225 VanDerWaalsContact O-N 3.16Å; P223-F226 CarbonylContact O-C 3.39Å; P223-F226 PolarHBondContact O-N 2.91Å; P223-G227 PolarHBondContact O-N 3.39Å; P223-L228 CarbonylContact C-O 3.36Å; P223-L228 HydrophobicContact CB-CB 3.7Å; P223-L228 WeakPolarHBondContact O-CB 3.17Å; P223-L228 PolarHBondContact O-N 2.83Å; P223-P229 WeakPolarHBondContact CB-O 3.19Å; P223-F231 HydrophobicContact CG-CD2 3.82Å; P223-F231 HydrophobicContact CG-CE1 4.46Å; P223-F231 HydrophobicContact CG-CE2 3.63Å; P223-F231 HydrophobicContact CG-CG 4.33Å; P223-F231 HydrophobicContact CG-CZ 3.98Å
224E97.8Very high97.4Very high96 Ų9656.9 Ų56.945%0.44932%0.315SS..G310 helixtrans-62.3-24.3-178.368.8-79.9-172.900113.4K222 F226 G227 L228 P230K222-E224 PolarHBondContact O-N 2.67Å; E224-F226 PolarHBondContact O-N 3.35Å; E224-G227 PolarHBondContact O-N 2.9Å; E224-G227 VanDerWaalsContact O-N 3.07Å; E224-L228 WeakPolarHBondContact CA-O 3.13Å; E224-L228 PolarHBondContact N-O 3.33Å; E224-P230 HydrophobicContact CB-CB 4.31Å
225A97.4Very high97.4Very high38 Ų3857.7 Ų57.731%0.31432%0.316SS..G310 helixtrans-64.9-21174.600000112.7L6 K222 P223L6-A225 VanDerWaalsContact CB-O 3.24Å; L6-A225 WeakPolarHBondContact CB-O 3.49Å; L6-A225 HydrophobicContact CD1-CB 3.73Å; K222-A225 HydrophobicContact CB-CB 4.37Å; K222-A225 VanDerWaalsContact O-CB 3.25Å; K222-A225 WeakPolarHBondContact O-CB 3.45Å; K222-A225 PolarHBondContact O-N 3.38Å; K222-A225 VanDerWaalsContact O-N 3.08Å; P223-A225 PolarHBondContact O-N 3.42Å; P223-A225 VanDerWaalsContact O-N 3.16Å
226F98.1Very high97.4Very high0 Ų060 Ų600%033%0.329CS..G310 helixtrans-113.121.2175.1-65.4-90.9000112L6 P8 V9 L176 Q194 V196 T212 Q213 F221 P223 E224 L228L6-F226 HydrophobicContact CB-CE1 4.36Å; L6-F226 HydrophobicContact CD1-CE2 4.17Å; L6-F226 HydrophobicContact CD1-CZ 4.18Å; L6-F226 HydrophobicContact CD2-CE1 3.93Å; L6-F226 HydrophobicContact CD2-CZ 3.78Å; L6-F226 HydrophobicContact CG-CZ 4.42Å; P8-F226 CarbonylContact C-O 3.58Å; P8-F226 VanDerWaalsContact CA-O 3.24Å; P8-F226 WeakPolarHBondContact CA-O 3.16Å; V9-F226 HydrophobicContact CG1-CD1 4.47Å; V9-F226 HydrophobicContact CG2-CB 3.99Å; V9-F226 PolarHBondContact N-O 3.06Å; L176-F226 HydrophobicContact CD1-CD1 3.67Å; L176-F226 HydrophobicContact CD1-CE1 3.5Å; L176-F226 HydrophobicContact CD1-CG 4.28Å; L176-F226 HydrophobicContact CD1-CZ 3.99Å; L176-F226 HydrophobicContact CD2-CB 4.27Å; L176-F226 HydrophobicContact CD2-CD1 4.15Å; L176-F226 HydrophobicContact CD2-CD2 4.1Å; L176-F226 HydrophobicContact CD2-CE2 4.49Å; L176-F226 HydrophobicContact CD2-CG 3.91Å; Q194-F226 HydrophobicContact CB-CE1 4.23Å; V196-F226 HydrophobicContact CG2-CE2 3.88Å; V196-F226 HydrophobicContact CG2-CZ 3.77Å; T212-F226 HydrophobicContact CG2-CE1 4.16Å; T212-F226 HydrophobicContact CG2-CZ 4.45Å; Q213-F226 HydrophobicContact CB-CZ 4.32Å; F221-F226 AromaticContact CE2-CD2 3.53Å; F221-F226 HydrophobicContact CE2-CD2 3.53Å; F221-F226 AromaticContact CE2-CE2 3.61Å; F221-F226 HydrophobicContact CE2-CE2 3.61Å; F221-F226 AromaticContact CZ-CD2 3.84Å; F221-F226 HydrophobicContact CZ-CD2 3.84Å; F221-F226 HydrophobicContact CZ-CE2 4.37Å; P223-F226 CarbonylContact O-C 3.39Å; P223-F226 PolarHBondContact O-N 2.91Å; E224-F226 PolarHBondContact O-N 3.35Å; F226-L228 PolarHBondContact O-N 2.93Å
227G97.8Very high97.4Very high53 Ų5356.2 Ų56.255%0.54631%0.309SS..THydrogen-bonded Turntrans68.214.4179.900000114.8P223 E224P223-G227 PolarHBondContact O-N 3.39Å; E224-G227 PolarHBondContact O-N 2.9Å; E224-G227 VanDerWaalsContact O-N 3.07Å
228L98.5Very high97.4Very high6 Ų658.4 Ų58.43%0.03132%0.319CS..SBendtrans-87.7156.6173.3-60.7170.6000110.1V9 V12 L104 I109 L176 F221 P223 E224 F226V9-L228 HydrophobicContact CG2-CD1 3.87Å; V9-L228 HydrophobicContact CG2-CD2 3.89Å; V9-L228 HydrophobicContact CG2-CG 3.82Å; V12-L228 HydrophobicContact CG2-CD1 4.2Å; L104-L228 HydrophobicContact CD2-CD1 3.96Å; I109-L228 HydrophobicContact CD1-CD2 3.83Å; I109-L228 HydrophobicContact CG1-CD2 4.09Å; I109-L228 HydrophobicContact CG2-CD2 4.03Å; L176-L228 HydrophobicContact CD2-CD1 4.48Å; F221-L228 HydrophobicContact CZ-CD1 4.41Å; P223-L228 CarbonylContact C-O 3.36Å; P223-L228 HydrophobicContact CB-CB 3.7Å; P223-L228 WeakPolarHBondContact O-CB 3.17Å; P223-L228 PolarHBondContact O-N 2.83Å; E224-L228 WeakPolarHBondContact CA-O 3.13Å; E224-L228 PolarHBondContact N-O 3.33Å; F226-L228 PolarHBondContact O-N 2.93Å
229P98.3Very high97.3Very high39 Ų3962.4 Ų62.425%0.25334%0.341SS..PPolyproline II helixtrans-59.5134.8178.6-27.338.4000111.9H103 H107 P223H103-P229 PolarHBondContact CE1-O 3.09Å; H103-P229 PolarHBondContact NE2-O 2.98Å; H107-P229 HydrophobicContact CB-CB 4.39Å; H107-P229 HydrophobicContact CB-CG 3.92Å; P223-P229 WeakPolarHBondContact CB-O 3.19Å
230P98.1Very high97.2Very high75 Ų7561.1 Ų61.149%0.48734%0.335SS..PPolyproline II helixtrans-66.5154.6-179.528.8-35.4000111.4H103 E224H103-P230 PolarHBondContact CE1-O 2.79Å; E224-P230 HydrophobicContact CB-CB 4.31Å
231F97.2Very high97.1Very high56 Ų5659.4 Ų59.425%0.24633%0.327CS..PPolyproline II helixtrans-58.9145168.6-68.7-64.6000110.6R99 L100 H103 F221 P223R99-F231 HydrophobicContact CG-CE1 4.17Å; L100-F231 HydrophobicContact CB-CZ 4.41Å; L100-F231 HydrophobicContact CD1-CE1 4.49Å; L100-F231 HydrophobicContact CD1-CZ 3.9Å; H103-F231 HydrophobicContact CB-CD1 3.9Å; H103-F231 HydrophobicContact CB-CE1 3.55Å; H103-F231 AromaticContact CD2-CD1 3.78Å; H103-F231 AromaticContact CD2-CE1 3.69Å; H103-F231 AromaticContact CG-CD1 3.49Å; H103-F231 VanDerWaalsContact CG-CD1 3.49Å; H103-F231 AromaticContact CG-CE1 3.51Å; H103-F231 AromaticContact ND1-CD1 3.68Å; F221-F231 WeakPolarHBondContact O-CE2 3.19Å; P223-F231 HydrophobicContact CG-CD2 3.82Å; P223-F231 HydrophobicContact CG-CE1 4.46Å; P223-F231 HydrophobicContact CG-CE2 3.63Å; P223-F231 HydrophobicContact CG-CG 4.33Å; P223-F231 HydrophobicContact CG-CZ 3.98Å
232Q87.5Confident97Very high217 Ų21764.5 Ų64.5100%1.01436%0.355SS*.  trans-81.60172.5-68.6-176.1-24.400111.5

Retrieved 232 of 232 residues in 177.1 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).